#DEFINITION	Reference Metabolome for Ilex latifolia
#IDENTTFIER	RefMeta-Ilex latifolia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ilex latifolia
#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 Ilex latifolia 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	267.1955
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
52.58783	2.1
53.03941	4.8
55.01868	6.5
55.05510	35.1
56.96549	2.6
57.03434	11.3
57.07074	11.3
59.91031	2.2
65.03951	3.3
67.05503	69.8
69.03418	6.0
69.06763	2.3
69.07074	25.4
71.04997	4.4
71.08632	4.0
79.05497	52.5
81.03427	22.4
81.07058	69.4
83.04983	6.5
83.08621	53.3
85.06543	7.9
88.27937	2.1
88.52116	2.2
91.05482	56.3
93.06462	3.5
93.07045	61.1
95.04964	10.0
95.08610	55.9
97.06528	11.3
97.10181	18.3
98.20698	5.0
98.97587	3.5
99.08092	11.6
105.07036	28.9
107.08598	33.6
109.06537	6.1
109.10152	32.1
110.97582	3.4
111.08092	17.2
111.11707	3.5
113.09597	4.5
117.07036	8.7
119.08587	42.0
121.10152	57.8
123.08071	16.8
123.11707	11.4
125.09605	7.9
129.07011	7.3
131.08598	15.9
133.10138	47.5
135.08046	12.9
135.11687	26.6
137.09610	58.5
139.11172	5.4
142.07803	2.7
143.08562	3.6
145.10115	10.2
147.08003	2.6
147.11688	22.7
149.09636	15.8
149.13232	3.0
151.11171	34.3
153.09125	10.0
155.08571	3.1
157.10129	7.3
158.99678	2.8
159.11682	4.4
161.13307	3.8
163.11151	3.3
165.12776	3.7
167.02676	2.2
167.10718	4.9
169.10063	3.9
171.11703	9.7
175.11090	3.7
176.03333	4.0
183.11778	2.9
185.13313	4.0
193.12247	3.3
197.13266	8.7
203.14249	5.1
203.17923	6.9
211.14938	4.9
213.16342	24.9
221.19029	3.9
225.16339	2.8
229.25752	2.3
231.17453	27.5
246.11378	3.8
249.02951	2.4
249.14725	4.6
249.18510	100.0
267.15897	9.9
267.19556	27.6
267.21393	10.7
273.79266	2.4
285.10391	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	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03937	5.0
55.01875	4.8
55.05296	1.7
55.05515	16.3
57.03415	7.7
57.07067	2.9
60.60540	1.7
61.02927	12.2
63.11630	1.9
65.03914	2.8
67.05504	20.7
69.03425	22.3
69.07076	17.8
71.05002	12.9
71.61148	2.5
71.61508	2.9
73.02900	7.2
79.05502	20.2
81.02978	2.2
81.03421	29.4
81.07056	34.0
83.04985	9.2
83.08630	9.1
85.02897	11.0
85.06523	5.6
87.04462	5.6
91.03941	5.6
91.05480	29.8
93.07051	39.3
95.04971	10.0
95.08611	28.0
97.02898	15.1
97.06526	8.9
98.97572	9.0
99.04453	4.9
103.05456	3.0
105.07034	55.3
107.04919	5.8
107.08596	32.9
109.02867	5.4
109.06540	14.6
109.10155	23.5
110.03195	2.8
111.04425	8.3
111.08072	6.1
113.89231	2.0
115.03925	7.1
115.05506	2.3
117.07020	6.5
119.08588	33.2
121.06519	10.8
121.10143	43.0
123.04406	5.6
123.08067	11.0
123.11696	8.6
125.09604	3.8
128.06215	5.3
129.06961	6.1
131.08569	18.7
133.06497	5.2
133.10129	33.1
135.08041	7.7
135.11673	13.1
137.05954	2.9
137.09627	7.5
142.07726	4.3
143.08559	11.5
144.09311	2.9
145.04939	2.4
145.06424	2.6
145.10127	15.0
147.08025	10.9
147.11678	20.0
149.05881	2.3
149.09602	8.7
149.13239	11.0
150.70818	2.1
151.07562	3.9
151.11171	5.1
153.05411	2.2
155.08557	3.5
157.10069	10.3
158.99644	2.4
159.08063	7.5
159.11667	8.4
161.06055	2.4
161.09598	15.1
161.13310	4.3
162.26543	1.8
163.07526	4.7
163.11172	6.4
165.12743	4.0
167.02837	2.8
167.10602	2.8
170.10910	2.9
171.11697	3.2
173.09636	3.5
173.13280	5.0
174.05328	2.0
175.07660	3.0
175.11201	15.6
176.03403	2.4
177.09171	3.4
177.12756	22.0
179.10600	3.8
180.30794	2.1
181.08096	7.1
182.15863	2.0
185.03947	2.0
185.13240	6.3
189.09131	3.1
189.12747	4.6
190.08531	4.0
190.13545	12.8
191.10757	3.8
193.08725	2.2
193.12271	7.9
201.12740	6.0
203.10684	2.5
203.14339	6.8
207.13947	2.7
213.12706	5.3
213.16397	2.9
218.13039	3.4
219.13817	25.4
228.13757	4.2
228.63721	2.1
231.13824	22.9
236.14038	2.7
237.14497	3.8
246.14917	18.7
246.64993	4.8
247.10123	11.5
249.14850	17.4
249.18535	3.8
261.91779	2.1
267.15903	100.0
267.19479	5.6
268.59186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
53.03948	5.5
55.01863	5.7
55.05510	17.8
56.96560	2.3
57.03445	8.2
57.07068	4.5
61.02922	17.5
65.03928	2.4
66.12605	1.4
67.05507	28.8
69.03428	22.3
69.07067	16.7
71.04990	11.9
71.61715	2.1
73.02920	8.0
73.06571	1.5
77.03893	2.0
79.05492	25.2
81.03418	21.0
81.07061	34.1
83.04982	11.4
83.08627	8.4
85.02898	12.1
85.06543	4.1
87.04456	5.4
91.03951	8.5
91.04951	3.2
91.05476	31.3
93.07047	37.4
95.04967	14.4
95.08607	27.2
97.02906	16.4
97.06524	5.9
98.97575	8.7
99.04451	3.5
99.08092	2.7
103.05498	1.9
105.07032	47.9
107.04937	6.0
107.08599	28.8
109.02869	6.4
109.06497	10.3
109.10162	23.3
110.97561	1.6
111.04417	8.4
111.08083	6.1
115.03922	6.5
115.05440	2.3
116.98646	3.0
117.07038	10.3
119.04989	2.1
119.08587	29.7
121.06490	10.3
121.10140	42.4
123.04443	3.8
123.08061	10.0
123.11707	10.9
125.05995	4.2
125.09565	2.1
128.06242	7.6
128.98613	1.8
129.07013	9.9
131.08574	17.8
133.04933	3.2
133.06500	8.5
133.10136	34.0
135.08075	9.9
135.11705	14.9
137.05992	3.2
137.09621	5.6
139.07559	3.2
141.05432	2.2
141.07008	1.7
142.07767	4.3
143.08568	14.9
144.09329	2.9
145.06453	3.7
145.10133	14.9
147.08069	8.5
147.11691	24.4
149.09634	9.6
149.13226	9.7
150.51642	1.6
151.07559	5.4
151.11192	3.5
151.95520	1.7
155.08566	2.9
156.09343	2.0
157.10133	6.6
158.99684	2.5
159.08060	4.3
159.11650	13.8
160.08812	2.6
161.05974	2.7
161.09601	13.2
161.13298	4.4
163.07558	4.1
163.11165	6.1
165.09084	3.7
165.12782	3.9
167.10638	2.3
169.10101	2.0
170.10919	1.8
171.08070	2.3
171.11687	7.2
172.07526	3.2
172.85796	1.7
173.08064	2.7
173.09482	2.1
173.13260	6.0
175.07582	3.0
175.11188	16.8
175.14867	3.4
177.09148	2.9
177.12752	28.9
179.10742	4.7
181.07974	7.4
183.11685	1.9
185.13264	5.5
189.09108	2.6
189.12727	4.2
190.08549	4.4
190.13553	13.2
191.03867	2.4
191.10652	1.9
191.14290	3.6
193.12268	5.7
201.12793	7.0
203.14351	7.8
204.11421	2.2
207.13838	2.4
213.12776	3.9
213.16469	2.1
218.13000	2.9
219.13800	25.0
221.15417	3.2
228.13901	4.5
231.13809	19.3
237.14561	10.9
237.64651	2.3
246.14890	34.3
246.65048	6.5
247.10110	12.2
247.14455	1.8
249.14832	14.3
249.18568	3.5
267.15915	100.0
267.19302	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	267.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
56.96567	28.5
57.03442	7.0
57.07067	12.2
59.63955	5.7
61.02913	9.9
67.05486	17.5
69.03426	26.4
69.07074	40.8
71.08622	8.0
71.60336	5.0
73.02925	8.3
74.06073	15.3
79.05487	11.9
81.03407	10.3
81.07053	20.2
83.08608	8.2
85.02906	100.0
87.08092	24.4
89.03917	7.4
91.05491	7.3
95.08605	20.0
97.02892	25.7
97.06503	5.6
98.97569	23.4
98.98412	5.9
103.46738	5.2
105.07004	9.7
107.04934	8.1
109.02889	15.5
111.04438	6.5
116.98633	10.3
120.08121	10.4
121.06508	6.9
127.03880	21.8
135.04411	15.0
137.05939	6.4
143.00157	10.3
145.04919	8.9
154.94138	13.3
157.78419	4.9
158.99626	9.6
161.01212	8.3
161.05969	9.5
163.03893	52.4
164.28720	5.0
166.08569	5.4
167.07030	5.8
169.91713	5.3
172.95238	21.6
177.00723	8.5
177.05470	12.0
185.01125	6.3
195.35928	5.7
195.61650	7.0
218.49005	5.8
219.01884	5.8
249.02563	5.5
267.03992	11.4
267.08994	6.6
267.12912	8.0
285.04837	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03938	3.9
55.01864	2.6
55.05513	6.9
57.03185	1.7
57.03441	20.0
57.07073	1.9
67.05508	12.6
69.03414	2.6
69.07088	4.6
69.07389	0.9
69.38143	7.5
71.04983	2.0
79.05117	1.0
79.05505	11.9
79.34355	0.9
81.03423	100.0
81.07061	14.2
83.04977	3.9
83.08626	16.8
85.02897	1.0
91.05482	15.6
93.07045	9.4
94.79525	0.8
95.04974	23.5
95.08601	6.7
97.02870	2.1
97.06555	1.8
97.10152	3.2
98.21525	1.6
105.07033	13.1
107.04972	4.9
107.08588	2.7
109.06490	3.1
109.10160	2.9
111.08080	5.7
117.06985	0.9
119.08583	12.5
121.06474	1.5
121.10168	5.2
123.08064	3.1
123.11721	1.9
129.07002	7.4
131.08582	7.1
133.06487	2.7
133.10121	4.0
137.09604	1.9
142.07773	2.5
144.37828	0.8
145.10106	1.1
147.08092	1.8
147.11688	6.8
148.33505	0.8
149.09599	3.6
157.10136	9.5
163.11235	1.6
165.66788	0.8
169.51065	0.9
174.26726	0.8
175.11212	10.9
190.23190	0.8
193.10603	1.7
193.12248	19.1
211.13292	1.7
220.58130	0.9
267.15927	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03938	9.4
55.01850	8.9
55.05505	13.5
57.03430	18.8
57.07071	4.0
61.02928	24.6
65.03953	4.1
67.05511	60.9
69.03427	28.9
69.07060	14.0
70.06519	3.8
70.10072	14.3
71.04978	7.5
73.02544	5.9
73.02917	73.8
77.51428	2.9
79.05497	37.3
81.03425	24.6
81.07062	87.9
83.04992	16.5
84.08141	3.6
85.02895	10.3
87.04465	7.1
91.05486	27.4
93.07039	65.6
95.04982	26.1
95.08604	32.2
95.21398	3.4
96.37159	3.3
97.02914	21.2
97.06514	8.3
98.97562	3.3
98.98431	3.9
99.04430	10.2
101.00879	4.2
103.03963	4.0
103.05428	4.7
105.07027	67.2
105.07677	6.4
107.04939	13.1
107.08604	50.9
109.02885	9.2
109.06520	14.6
109.10154	65.6
110.03198	4.0
111.04430	12.4
111.08102	4.2
112.11281	3.8
115.03925	14.3
115.05415	5.2
117.07015	15.1
119.01910	4.7
119.08580	42.1
121.06498	21.3
121.10152	96.8
123.08066	10.5
123.11708	15.9
125.06024	4.0
127.03913	4.6
127.55125	3.7
128.06227	6.5
129.05460	5.7
129.06996	9.0
131.08565	21.4
133.04939	5.4
133.06470	12.4
133.07419	3.7
133.10124	42.7
135.08067	8.4
135.11696	54.9
137.06055	6.0
137.09586	28.3
139.07571	3.5
141.05455	4.1
142.07794	4.7
143.01891	8.3
143.07065	3.7
143.08554	14.0
145.10144	19.3
147.08035	11.2
147.11687	36.9
149.09607	6.4
149.13245	7.7
151.07555	4.3
151.11176	9.0
152.14380	4.7
157.10118	15.8
159.06514	5.5
159.11671	20.3
161.02951	7.0
161.05954	8.2
161.09602	10.6
161.13297	7.9
163.07582	8.9
163.11198	11.1
165.12865	4.2
171.11650	8.8
175.11221	19.1
177.12679	16.1
178.06235	7.0
185.13243	8.7
189.09137	4.1
189.12749	12.2
191.06985	5.1
191.10577	3.4
193.08585	4.0
201.12813	5.3
203.14299	7.8
205.12225	6.8
213.12711	10.3
219.13803	13.8
221.15378	4.8
231.13808	28.4
249.14810	34.1
267.15912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23589	0.2
53.03957	0.2
57.03425	0.5
58.06600	0.6
60.08163	6.9
61.02919	1.1
63.46481	0.2
67.99799	0.2
69.03436	2.1
71.01331	0.4
71.60023	0.3
73.02912	2.3
81.03420	0.8
85.02905	3.4
86.06068	0.3
87.04464	5.0
91.03963	0.4
92.20544	0.2
97.02917	1.2
99.04471	2.2
101.02364	0.3
103.03942	0.5
104.10743	100.0
105.11085	0.3
109.02915	0.5
127.03916	1.0
129.05469	0.6
211.87318	0.2
248.11322	0.7
266.15982	96.6
267.16351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24882	0.4
53.03946	0.9
55.01854	0.9
55.05515	1.1
56.96553	2.2
57.03426	1.5
57.07074	0.6
59.04979	0.7
60.95851	0.6
61.02920	1.2
67.05501	3.5
69.03426	3.0
69.07060	0.5
70.06553	0.6
70.96130	0.4
71.04988	0.7
71.08626	0.5
72.97635	0.5
73.02922	2.3
79.05490	0.9
79.09695	0.5
80.04964	0.5
81.03407	1.3
81.05173	0.4
81.07043	1.7
83.04955	0.5
84.04479	0.8
84.08137	1.4
85.02907	6.2
85.63112	0.5
87.04480	1.6
93.07036	0.7
94.06561	9.8
95.04979	0.7
95.08600	1.7
97.02885	3.2
97.06522	0.6
98.97572	4.0
99.04450	0.6
100.03955	1.0
101.00861	0.8
101.02377	0.6
102.96815	0.5
104.10722	0.9
105.07001	0.6
106.06587	2.8
107.04953	0.8
109.02909	1.0
109.10169	0.7
110.97568	0.7
116.98601	1.8
118.05038	0.8
119.01894	1.1
121.01579	0.5
122.06026	7.8
123.04428	1.4
127.03904	1.6
127.31216	0.5
128.98581	0.7
131.01904	1.0
132.04460	0.6
134.06061	0.6
134.99612	0.5
135.04492	0.5
136.06168	1.0
137.05998	0.7
143.00127	1.3
143.01967	0.6
145.01678	0.5
145.04892	0.7
150.05501	100.0
153.99170	0.5
154.94203	1.3
158.99648	0.9
161.01234	0.8
161.02899	0.5
163.03955	1.4
168.06560	2.8
172.95238	1.9
177.00783	0.8
177.02254	0.6
177.04173	3.7
186.04649	1.6
189.00729	0.6
200.04439	0.8
205.00189	0.6
205.10782	0.6
219.01796	0.6
221.05075	0.5
222.04747	0.7
223.04457	0.6
231.05173	0.8
237.05251	0.8
251.04048	0.7
267.04025	0.8
267.07312	0.7
267.09750	4.3
267.13321	1.3
267.16269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03936	3.0
55.01873	2.7
55.05257	1.6
55.05510	31.1
56.96551	2.6
57.03430	3.0
57.07071	14.7
59.04995	2.0
64.05739	1.0
65.03927	2.5
67.05505	35.1
69.03409	1.5
69.07068	45.1
70.82670	3.3
71.04983	4.8
71.08620	4.9
72.59936	1.1
79.05489	18.1
81.03393	1.4
81.07056	85.3
83.04985	3.3
83.08617	26.1
85.06540	16.6
85.10182	2.0
91.05478	6.4
93.07042	28.3
93.61268	1.1
95.04975	3.0
95.08604	100.0
97.06539	4.0
97.10167	18.0
99.08085	10.9
105.07024	8.0
107.04935	3.5
107.08594	32.6
108.08899	1.1
109.02882	1.8
109.06514	4.1
109.10152	52.7
111.04430	2.0
111.08081	4.6
111.11726	8.0
113.09634	4.5
115.05440	4.2
117.07013	5.2
119.08553	5.0
121.10140	25.0
123.11708	27.7
125.09630	3.0
125.13238	2.1
127.11181	1.8
129.07019	2.1
129.51266	1.1
131.08556	4.1
133.06532	1.7
133.10141	4.0
135.08052	2.1
135.11678	22.1
137.13249	17.7
141.06975	1.9
141.12752	1.6
144.05653	1.6
145.06473	9.0
145.10086	3.1
147.11719	1.3
149.13249	18.4
151.14816	9.1
152.32632	1.2
155.14276	2.2
159.08054	3.2
159.11684	2.9
161.05983	2.1
163.07559	1.9
163.14848	12.6
165.09132	1.5
165.16385	5.2
167.03534	1.8
167.07011	2.6
170.99591	1.2
173.06007	9.4
173.13225	6.1
177.09027	1.7
177.16409	10.4
178.07690	1.1
185.68190	1.1
187.07541	3.6
190.06271	3.9
191.07036	2.7
191.17921	9.6
201.12672	1.4
201.16431	6.9
203.07085	1.1
205.08604	6.4
205.19518	2.6
207.21150	1.5
215.07027	1.4
217.08630	1.8
219.10271	2.1
219.17451	3.0
221.08078	2.0
237.08945	1.3
247.09592	3.4
247.13307	2.3
247.17027	3.4
247.24219	28.8
259.09631	1.7
265.08228	1.2
265.10831	2.6
265.14212	5.4
265.18057	3.9
265.25266	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54960	0.1
60.98881	0.1
66.38908	0.1
71.59287	0.2
78.62730	0.1
82.99846	0.5
90.81759	0.1
96.80091	0.1
101.00883	5.1
115.61803	0.1
116.17495	0.1
116.98801	0.3
119.01923	8.3
120.01993	0.1
122.97830	0.2
134.99016	0.1
134.99896	0.7
137.02948	1.0
140.98825	0.9
142.03465	0.1
145.47304	0.1
153.00970	0.1
157.01926	0.2
158.99898	3.6
165.99591	0.2
175.03047	0.3
177.00957	20.3
178.01115	0.4
179.01385	0.2
182.99898	0.9
195.01915	0.2
199.03004	0.3
201.00938	3.1
201.02559	0.2
202.01160	0.1
212.45590	0.1
217.04106	3.3
219.02010	24.3
219.94589	0.2
220.02228	0.7
223.99992	0.1
225.00830	2.1
227.99448	0.1
234.00725	0.4
240.83455	0.1
242.03688	0.2
242.96225	0.3
243.01991	12.9
244.02240	0.2
247.38382	0.1
252.51660	0.1
261.03064	100.0
262.03226	1.5
263.03381	0.5
266.03458	0.2
266.07840	0.4
275.04614	0.4
278.06717	0.1
278.09897	0.1
284.04681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68767	0.9
53.03948	5.9
53.40075	0.9
55.01874	2.3
56.96572	1.7
61.02919	3.1
64.00345	1.0
64.70142	0.9
64.75575	0.8
65.03941	1.3
67.05502	12.6
69.03435	11.5
69.07052	1.4
70.06602	6.8
71.05021	2.4
73.02903	1.0
79.05480	4.1
81.03416	35.7
81.07063	2.8
82.02939	1.1
85.02907	2.4
88.99567	0.9
94.06547	1.6
95.04976	9.3
96.04467	3.0
97.02890	21.5
98.97569	2.8
99.04445	1.7
107.04963	2.4
108.08125	6.9
109.02881	100.0
110.06038	3.1
112.07639	4.2
122.06026	2.9
122.09667	2.2
122.56059	1.1
127.03909	9.2
140.07057	11.0
150.09145	15.7
152.07063	28.0
157.46481	0.9
158.99734	1.2
164.06946	1.5
166.08612	3.1
174.09106	1.0
178.08623	44.2
182.97475	1.4
188.54970	1.1
190.08524	1.2
192.10202	2.8
202.08614	2.3
204.10144	1.4
206.08125	81.0
218.08138	4.0
219.21613	1.0
220.09718	3.5
236.09315	2.8
248.09164	11.3
266.10226	10.4
266.13110	1.3
266.13559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03933	4.0
55.01872	2.8
55.05511	21.3
57.07063	11.4
65.03928	2.9
67.05161	4.5
67.05507	78.0
69.07072	29.3
71.08610	3.1
71.62042	4.3
79.05495	34.9
81.03431	3.2
81.05452	2.9
81.07058	99.5
82.26849	3.0
83.04964	5.0
83.08615	20.0
84.51330	2.6
84.95927	2.5
85.06543	4.3
87.97115	2.8
91.05469	13.1
93.07056	27.0
95.04985	5.7
95.08608	100.0
97.06532	21.1
97.10166	11.4
101.00879	4.7
105.07034	13.5
107.08587	19.5
109.06530	6.2
109.10162	41.4
111.08086	10.1
117.07026	3.4
119.01931	6.3
119.08578	13.7
121.06451	3.7
121.10153	27.9
123.08088	5.5
123.11718	15.1
126.83648	2.7
131.08566	9.0
133.10129	11.0
135.08057	3.7
135.11720	17.7
137.09561	4.0
137.13255	6.4
145.10126	7.0
147.11665	11.4
149.09592	3.3
149.13284	7.1
161.13245	4.5
163.14810	4.2
165.12740	3.0
173.13295	6.0
214.94185	2.7
218.94202	3.8
229.19536	8.2
241.96036	2.8
241.98706	7.1
247.17123	4.5
247.20569	8.1
247.24249	5.0
265.07785	6.9
265.14243	4.1
265.17923	9.2
265.19186	3.3
265.21759	34.9
265.25204	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	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.01859	1.5
55.05518	15.9
56.96552	2.1
57.07080	9.0
59.05008	1.1
67.05170	1.3
67.05511	23.5
69.03416	1.6
69.06718	1.9
69.07071	37.0
71.04987	4.7
71.08615	3.0
71.40636	1.7
77.03886	0.9
78.34742	1.1
79.05495	9.4
81.03397	1.3
81.07060	77.8
83.04951	1.4
83.08619	14.9
85.06526	3.9
90.11308	1.0
91.05470	3.6
93.07040	13.0
95.04951	2.1
95.08609	100.0
97.02873	1.6
97.06513	1.0
97.10168	10.7
98.97577	2.1
99.08089	2.7
105.07029	3.8
107.04913	1.3
107.08599	18.0
109.06493	2.6
109.10159	45.0
111.08058	1.2
111.11719	10.1
113.09643	2.1
115.05458	1.7
117.07033	3.7
119.08610	2.9
121.06519	0.9
121.10152	14.8
123.10806	1.8
123.11713	29.8
125.13259	2.7
131.08511	2.3
135.08124	1.3
135.11685	15.6
137.09642	1.0
137.13258	52.3
145.06445	5.4
145.10162	1.4
149.13278	9.9
151.14844	7.4
159.36516	1.0
161.06046	1.1
163.14850	6.7
165.09055	1.1
165.16379	3.7
168.87804	1.1
173.05997	7.2
173.13347	1.0
177.16400	7.6
187.07553	1.2
190.32610	1.0
190.60387	1.1
191.17975	8.5
203.07007	1.4
205.08624	3.9
205.19455	1.4
217.08636	3.3
247.13362	1.4
247.17014	1.7
247.24243	12.5
265.10916	1.1
265.14124	3.1
265.17899	1.6
265.25278	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	265.1798
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
50.75972	0.4
55.01860	0.5
55.05504	3.9
55.29019	0.4
57.03428	0.5
57.07059	0.9
59.05048	0.6
62.06869	0.4
66.82397	0.4
67.05507	4.8
69.03409	0.6
69.07063	2.7
70.37349	0.4
70.84692	0.6
70.85024	0.7
71.04980	1.7
79.05489	3.2
79.35522	0.4
81.07050	5.9
81.27914	0.4
83.04974	0.9
83.08626	4.2
85.06549	0.6
89.72195	0.4
91.05473	4.6
93.07040	6.9
95.04940	1.0
95.08606	7.7
97.06501	1.2
97.10157	0.7
99.08086	1.2
105.07024	8.3
107.04941	0.9
107.08591	7.7
109.06495	0.9
109.10146	4.1
109.19451	0.4
111.04400	1.3
111.08081	2.8
117.06987	2.3
119.08578	15.5
121.06487	2.0
121.10141	7.5
123.08051	1.4
123.11700	1.6
125.09579	0.8
129.07030	0.6
131.08571	4.6
133.06487	0.7
133.10127	24.5
135.08061	4.4
135.11694	4.4
137.09627	1.7
143.08536	0.6
145.06461	0.9
145.10127	8.5
147.08037	1.5
147.11674	4.7
149.09608	4.3
149.13284	1.0
151.11172	0.6
153.09082	1.1
155.08511	0.7
157.10144	0.7
159.08086	1.0
159.11690	5.0
161.09622	5.3
161.13292	1.9
163.07515	1.1
163.11171	2.1
163.14706	0.8
165.09036	1.1
169.10083	1.4
173.09607	1.9
173.13252	1.5
175.11171	2.2
175.14793	1.3
177.09123	2.9
177.12755	0.7
177.72516	0.6
179.10652	2.4
183.11632	0.6
185.13264	0.9
187.11188	1.3
187.14771	3.9
191.10747	1.4
201.16376	5.8
203.17955	1.8
205.12283	0.9
205.15845	0.7
211.14854	3.1
219.17393	2.3
223.68634	0.5
229.15898	3.9
247.16899	9.2
265.17975	100.0
265.43018	0.5
266.18350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
50.22587	0.3
55.01864	0.6
55.05513	4.3
56.96528	0.4
57.03426	1.0
57.07065	1.1
57.46915	0.3
57.86629	0.4
59.04993	0.8
60.98423	0.3
67.05220	0.4
67.05509	4.9
69.03425	0.6
69.07076	4.7
69.24559	3.7
71.05001	1.9
79.05492	3.0
81.07059	6.5
83.04979	0.8
83.08633	3.1
85.02929	0.5
85.06521	1.0
88.14771	0.4
91.05481	4.1
93.07043	6.8
95.04955	1.6
95.08041	0.6
95.08607	10.2
97.02853	0.4
97.06499	0.9
97.10151	1.4
98.97593	0.6
99.08101	0.9
103.05421	0.5
103.90362	0.4
105.07030	9.0
107.04983	0.5
107.08597	8.2
109.06494	0.9
109.10163	5.8
111.04424	1.2
111.08084	2.3
111.11705	0.5
113.09653	0.5
115.05412	0.5
117.07021	2.3
119.08582	17.3
121.06527	2.1
121.10135	7.7
123.08025	1.7
123.11682	1.6
125.05976	0.6
125.09620	0.4
129.06970	0.4
131.08556	4.0
133.06487	0.8
133.10132	27.3
135.04344	0.4
135.08038	1.8
135.11687	4.1
137.09610	1.3
137.13251	1.0
139.07539	0.9
139.18654	0.4
142.07745	0.5
143.08536	1.0
144.09352	0.5
145.06439	0.5
145.10120	9.2
147.08081	0.8
147.11679	6.0
149.05965	0.5
149.09654	2.3
149.13258	1.1
151.07503	1.1
151.11160	0.4
151.14803	0.4
153.09114	1.3
157.10155	1.1
159.08035	1.4
159.11694	6.5
161.09631	5.2
161.13264	2.0
163.07524	1.3
163.11177	1.3
163.14862	0.7
165.09106	1.0
169.10159	0.7
173.09593	1.1
173.13264	1.4
175.11212	2.5
175.14841	1.2
177.09108	2.4
177.12717	0.7
179.10669	2.7
185.13298	1.1
187.11186	1.3
187.14812	3.6
191.10689	1.3
191.17868	0.4
193.08437	0.4
196.12392	0.5
201.16383	7.8
203.17993	2.4
205.12202	1.0
205.15843	0.7
211.14835	1.2
219.17485	2.9
229.15837	3.5
244.09558	0.5
247.16951	7.3
247.24020	0.4
265.17981	100.0
266.18253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03936	0.7
53.73339	0.7
55.01848	0.9
55.05509	5.5
56.96552	3.1
57.07068	3.9
59.23154	0.7
67.05505	9.4
69.03440	1.2
69.07074	7.0
70.49204	2.5
71.04982	2.1
71.32369	0.7
73.44489	0.7
79.05494	5.7
81.06640	1.0
81.07061	12.7
81.89264	0.7
82.54530	0.7
83.04974	1.7
83.08622	4.7
85.06536	1.8
85.59644	0.6
91.05481	5.2
93.07045	12.2
95.04956	2.1
95.08609	19.1
97.06521	2.4
97.10124	1.0
99.08069	1.4
105.07039	9.7
107.04967	1.3
107.08595	11.4
109.06499	2.1
109.10167	7.7
111.04422	1.9
111.08072	2.2
111.11701	0.9
113.05954	0.8
117.06992	2.1
119.07777	1.4
119.08584	18.3
121.06499	2.3
121.10144	11.0
123.08059	2.0
123.11697	2.2
125.09621	1.3
131.08554	6.1
133.10132	27.4
135.07115	0.8
135.08061	2.9
135.11682	6.9
137.09625	2.0
137.13235	1.0
139.07532	2.1
143.08623	0.9
145.10127	9.8
147.08073	1.1
147.11665	7.3
149.09602	3.2
149.13260	2.0
151.07483	0.9
151.11211	1.3
153.09105	1.7
157.10115	0.9
157.29427	0.7
159.08086	0.8
159.11684	7.8
161.09660	4.5
161.13263	3.0
163.07547	2.0
163.11183	2.2
165.09087	1.4
165.12738	0.9
169.10136	0.8
173.09598	1.5
173.13248	1.8
175.11186	3.1
175.14827	1.0
177.09116	3.2
177.12688	0.8
179.08723	0.8
179.10635	3.1
185.13237	1.3
187.11229	1.3
187.14848	4.1
191.10678	1.4
191.17920	1.3
196.96677	1.2
201.16391	8.3
203.17917	2.9
205.12170	0.8
205.15941	1.3
205.19576	1.0
210.15364	0.9
211.14830	1.4
219.17484	2.9
219.21135	1.1
229.15839	3.1
229.19450	1.1
241.98732	2.7
247.16971	6.9
247.19334	0.9
247.20641	1.7
264.63724	0.8
265.17978	100.0
265.21445	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	265.1797
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
53.03938	2.1
54.31395	0.4
55.01868	4.6
55.05508	16.5
55.05781	0.9
57.03445	1.9
57.07076	2.0
61.02927	0.8
65.03950	1.3
67.05505	39.8
68.99827	0.5
69.03442	1.2
69.07066	9.0
71.05003	1.8
71.08652	0.5
71.61030	0.7
73.02920	1.5
74.69495	0.4
77.03948	0.4
79.05494	24.6
81.03442	1.9
81.07056	34.6
83.04986	2.6
83.08623	7.8
83.09103	0.6
85.02923	0.8
85.06538	2.5
91.05479	13.3
93.07045	25.2
95.04968	5.1
95.08605	37.0
97.02898	0.9
97.06555	2.9
97.10166	5.0
98.11651	0.4
99.04484	0.5
99.08083	0.7
103.05467	1.9
105.04533	1.0
105.07030	7.5
105.07702	0.3
107.04951	3.2
107.08594	12.3
109.06494	2.6
109.10154	21.8
111.04480	1.1
111.08066	4.0
113.02394	1.1
113.09644	0.7
115.03904	0.7
115.05446	1.3
116.06256	0.5
117.07014	4.7
119.08581	7.7
121.06523	4.5
121.10139	9.5
123.08076	3.6
123.11702	3.6
125.05983	1.3
125.09648	2.5
127.07504	0.6
129.07021	1.3
131.08559	5.4
133.05003	1.0
133.06516	1.2
133.10118	5.8
135.04407	0.5
135.08069	5.2
135.11710	5.5
137.06050	0.4
137.09630	3.9
137.13306	0.7
137.26582	0.4
139.07538	100.0
140.07832	0.5
141.06970	0.7
143.08638	0.5
145.06470	2.0
145.10132	6.1
147.08083	1.0
147.11691	1.4
149.05974	0.5
149.09656	3.3
149.13281	1.5
151.07597	1.0
151.11171	1.6
153.09103	53.9
157.08574	3.1
157.09886	0.7
159.08049	1.3
159.10272	0.7
159.11678	2.2
160.05327	0.5
161.05988	1.9
161.09618	1.3
163.03903	0.4
163.07498	1.3
163.11201	2.6
165.09094	1.2
169.10112	0.8
171.10199	1.9
171.11621	0.4
173.05992	2.4
173.09639	0.5
173.11804	0.7
173.13272	1.4
175.14896	0.6
177.09076	1.5
177.16397	0.8
177.25879	0.5
178.06308	0.8
181.04980	0.5
183.11707	0.7
187.07541	1.2
187.14828	1.2
190.06248	0.5
191.07010	1.2
191.10629	0.5
191.14258	0.5
191.17923	1.3
195.11691	0.5
201.12697	0.9
201.16367	6.5
205.08591	1.9
206.05624	0.6
209.13336	0.8
211.14790	1.8
215.07072	0.6
219.10059	0.6
219.13882	2.3
219.17451	4.2
221.08069	2.2
223.14799	0.9
229.15881	3.0
233.08031	1.3
237.18443	2.9
239.59134	0.5
241.98691	0.7
247.09709	2.1
247.16954	11.6
247.24142	0.9
265.10596	2.0
265.14120	2.4
265.17892	26.6
265.25113	1.0
283.18866	1.0
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
53.03941	1.0
55.01867	0.7
55.05512	14.1
56.05019	0.6
56.96571	3.2
57.03444	0.7
57.05811	1.3
57.07069	0.5
61.02919	0.8
67.05518	0.7
69.03419	2.7
69.07064	0.6
69.58591	0.9
69.59000	1.8
71.05000	1.1
72.08156	100.0
73.02919	1.2
79.05489	0.9
81.03416	1.1
81.07058	0.7
83.05003	0.5
83.08630	2.6
84.96056	0.4
85.02901	3.9
91.05495	1.5
93.07023	1.0
95.04975	1.0
95.08598	0.8
97.02910	2.4
98.97582	6.6
98.98174	0.5
99.04448	0.7
101.00739	0.4
101.09674	1.5
103.05484	1.5
105.07040	1.5
107.04971	4.8
107.08591	0.9
109.02882	1.2
109.06475	0.4
110.01276	0.5
110.03706	0.5
110.97580	2.2
111.04461	0.6
115.05495	1.0
116.98634	2.6
117.06991	0.8
119.01797	0.7
119.04935	0.4
119.08617	1.1
120.08101	12.9
121.06498	1.0
121.10143	0.5
123.04460	0.6
125.06011	0.8
127.03945	0.7
128.02327	1.3
128.06233	0.5
128.98647	1.1
129.06995	0.5
131.04935	1.8
131.08600	0.7
133.06531	0.8
134.99664	0.5
135.08018	0.7
136.08707	0.4
143.00175	1.1
143.04965	0.6
144.05714	0.9
145.06511	1.9
146.99693	0.6
147.08080	1.1
149.05981	0.8
149.09621	0.6
151.07532	0.9
158.99712	1.3
159.04445	0.7
159.08095	1.7
161.01256	0.4
161.05984	0.8
161.09674	0.5
162.03165	0.7
162.06766	0.4
165.05421	0.4
166.08646	9.1
167.07030	0.4
173.06061	1.1
175.07437	2.0
177.00723	0.9
177.05539	1.2
182.03439	0.4
184.05670	6.1
184.55891	0.5
187.07547	1.6
190.06335	0.8
191.07091	1.1
193.06250	3.5
193.08678	0.5
201.09009	0.6
203.07138	0.5
203.10750	0.6
204.57074	0.6
205.04887	3.2
205.08676	1.6
217.08615	0.9
219.01816	1.9
219.06554	1.4
219.10193	0.7
219.15030	0.7
221.04958	0.9
223.06488	0.7
229.13655	0.4
235.09712	0.6
237.02832	1.2
247.06352	0.5
247.09756	1.1
247.14398	1.2
265.08313	1.1
265.10870	2.6
265.15393	6.7
265.55725	0.4
274.08002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
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	11.3
55.05504	21.1
56.96564	12.2
57.03414	10.6
65.03939	12.9
67.05505	38.1
69.03417	48.0
69.70760	22.0
69.71166	17.2
71.04975	15.2
71.08665	5.8
79.05477	26.1
81.03383	11.0
81.07032	31.4
81.40440	6.7
83.05007	13.0
83.08605	11.5
85.02873	8.8
91.05479	68.0
93.03371	10.4
93.07056	56.4
95.04964	53.8
95.08604	21.3
97.02840	9.3
97.06499	8.2
98.97572	26.6
99.04420	8.4
103.05447	13.3
105.06377	7.8
105.07038	92.8
107.04948	23.4
107.08597	25.7
109.02859	12.3
109.06544	33.3
109.10156	12.8
111.04456	40.5
111.08061	10.6
113.05972	20.4
115.05431	18.2
117.07027	41.0
119.04964	7.7
119.08575	100.0
120.08115	56.6
121.02860	16.3
121.06514	55.2
121.10170	13.3
123.08064	20.9
129.06976	26.9
131.08580	45.8
133.06487	23.6
133.10106	16.8
135.04395	9.2
135.08052	88.7
137.09584	15.8
139.03899	13.8
139.07530	9.0
141.06972	13.8
142.07724	17.7
143.08548	22.7
145.06519	36.0
145.10115	47.0
147.08076	53.6
147.11674	13.9
149.05959	7.8
149.09602	13.3
155.08536	12.0
156.09248	7.7
157.06514	9.0
157.10106	26.6
158.07269	23.2
158.99637	8.9
159.08073	50.2
159.11732	36.9
161.05997	12.2
161.09595	42.3
163.03899	28.8
165.09090	30.7
167.07043	17.8
169.10115	12.5
171.08018	12.3
171.11653	9.3
172.08844	32.4
173.05981	20.6
173.09596	26.1
173.13258	30.2
175.07535	90.7
175.11139	37.5
177.00737	12.0
183.11656	13.1
185.09541	9.3
187.07516	18.8
187.11133	40.2
189.09021	15.8
189.12753	20.8
190.06203	13.5
193.08609	27.7
196.08936	11.0
199.11131	15.3
201.12727	40.5
203.10605	57.0
205.04930	22.8
205.08609	26.1
205.12173	12.4
211.11186	21.3
217.12238	23.0
219.06506	9.8
219.13713	11.0
229.12253	30.5
247.09621	14.5
247.13065	59.6
265.06927	7.2
265.10602	13.8
265.13708	34.4
265.15024	42.4
271.15607	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94180	2.6
52.40444	2.9
55.01868	5.4
55.05505	8.4
60.34708	2.5
67.05487	11.8
69.03430	3.1
69.07080	5.0
71.61974	4.2
75.01380	2.6
76.30163	2.6
79.05474	8.4
81.03398	8.1
81.07047	13.1
83.04974	4.6
85.02906	13.8
87.27707	3.3
91.05472	11.6
93.07028	12.2
95.04929	5.1
95.08598	13.0
97.02895	5.1
98.97584	3.5
103.05466	6.9
105.07030	8.4
107.04945	3.7
107.08646	6.1
109.02861	8.9
109.06547	4.1
109.10144	7.7
115.05458	33.1
117.07023	49.7
118.42362	2.7
119.08575	9.8
121.02905	5.0
121.06484	2.7
121.10148	8.2
128.06239	7.3
129.06992	6.3
131.04889	3.3
131.08521	8.0
133.10121	5.2
135.11693	5.7
136.41620	2.9
137.05974	4.0
141.07007	3.6
144.05696	5.1
145.06483	79.8
145.10097	5.1
147.04517	3.1
147.07985	4.6
149.09525	4.4
149.13243	3.6
155.06047	13.4
156.05679	19.9
157.06456	4.6
159.08061	9.9
159.11734	3.6
160.05186	2.8
161.05995	5.2
163.11211	3.5
173.05997	100.0
173.07501	5.1
175.03995	2.7
187.07584	9.2
187.15034	3.2
190.06261	38.7
191.07014	3.7
202.06323	6.5
203.07014	15.4
205.08597	71.3
217.08617	60.7
219.09929	3.6
235.09676	4.4
237.09076	3.1
247.09789	5.0
247.16861	3.5
265.08423	4.1
265.10776	8.2
265.13867	2.7
265.17926	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	265.1434
Annotation	Pyrethroidin
Peak:m/z	Relative Intensity
53.03955	5.5
55.05507	12.0
56.96551	8.9
65.03938	6.7
67.05504	35.4
69.03429	44.1
69.07072	9.0
70.99788	12.9
71.04963	9.2
79.05494	25.9
81.03402	11.5
81.07049	23.7
83.04977	11.4
83.08605	6.9
85.02899	5.3
85.06554	5.5
86.45358	5.9
91.05482	59.3
93.03418	7.7
93.07054	48.4
95.04974	49.9
95.08615	26.8
97.02898	11.2
97.06510	6.6
98.97582	13.0
99.04440	7.8
103.05446	13.0
105.07027	71.3
107.04943	13.2
107.08576	16.1
109.02865	17.7
109.06506	34.9
109.10140	8.5
111.04427	35.7
111.08073	12.8
113.05997	20.1
115.05466	12.8
116.06247	11.8
117.07036	33.7
119.08572	100.0
120.08113	46.7
121.02882	11.9
121.06496	45.0
121.10120	12.2
123.08061	23.8
125.05991	6.6
128.06223	13.3
128.20093	5.5
129.06992	23.2
130.07762	9.6
131.04895	10.4
131.08563	59.3
133.06487	12.5
133.10097	17.1
135.04448	6.9
135.08049	85.2
137.09592	11.6
139.03893	12.8
139.07518	13.3
141.06992	18.5
142.07777	9.1
143.08563	12.3
144.05656	9.4
144.09280	6.5
145.06456	40.8
145.10115	39.9
147.08043	36.9
147.11671	15.3
149.05914	7.3
149.09618	14.5
151.07574	5.4
155.08510	8.9
157.06485	7.8
157.10101	16.7
158.07253	25.6
159.08069	43.4
159.11681	42.7
160.05200	6.8
161.05940	6.9
161.09624	35.3
161.13293	5.3
163.03894	10.4
163.07561	8.1
163.12306	5.7
165.09123	38.8
167.07065	11.7
168.09312	6.7
171.08058	8.9
171.11722	13.1
172.08784	27.9
173.05974	25.6
173.09619	18.4
173.13235	22.2
173.90311	4.9
174.06888	5.1
175.07549	84.0
175.11145	40.0
177.09140	4.9
183.11665	16.4
185.09663	10.8
186.10361	5.7
187.07573	17.8
187.11212	42.3
189.09099	7.6
189.12744	16.8
190.06201	8.2
191.07025	10.1
193.08568	27.7
196.08911	11.3
199.11176	14.1
201.12740	35.4
203.10597	48.9
203.12326	5.9
205.04951	9.1
205.08568	21.4
205.12199	8.4
211.11162	21.9
217.08617	7.4
217.12219	20.7
219.06502	9.5
219.13742	11.6
229.12177	35.0
235.09721	5.5
235.13211	6.6
247.09692	13.3
247.13156	47.0
265.08066	4.6
265.10599	10.5
265.15155	46.1
265.25333	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.09638	1.6
51.02372	1.4
53.03941	3.8
55.01868	2.3
55.05513	25.6
56.96551	2.1
57.03419	1.5
57.07080	7.3
59.04977	2.0
65.03923	3.5
66.98804	1.5
67.05165	2.2
67.05503	39.3
69.03410	4.7
69.06721	2.3
69.07066	35.3
71.04974	4.9
71.08625	2.5
71.55176	3.0
73.98671	1.4
79.05492	32.8
81.03409	2.7
81.07057	96.8
83.04967	2.3
83.08613	14.4
85.06543	27.9
91.05476	19.9
93.06462	3.3
93.07044	63.5
95.04939	4.0
95.08608	100.0
97.06534	3.7
97.10163	8.4
98.97540	2.8
99.08098	18.9
102.43060	1.6
105.07027	34.4
107.04953	2.2
107.08595	76.1
109.06497	4.7
109.10156	51.4
111.08067	4.0
111.11724	2.9
113.09633	6.9
116.98639	1.6
117.07000	3.6
119.07777	2.5
119.08584	33.2
121.06502	2.3
121.10139	55.9
123.04430	1.9
123.11703	22.1
125.09599	4.2
128.06230	1.8
130.06555	1.6
131.08583	3.4
133.10141	22.6
135.07997	2.5
135.11693	46.8
137.09669	1.4
137.13251	8.1
139.07567	1.7
139.11151	3.6
143.08549	4.1
145.10115	5.3
147.08015	2.3
147.11694	16.9
149.09575	1.9
149.13257	57.8
151.14738	2.2
153.12683	1.7
157.06454	2.1
157.10129	2.8
159.08052	2.5
159.11682	3.8
161.09575	2.2
161.13277	16.6
163.13556	3.1
163.14825	32.5
165.16362	1.5
173.13264	2.8
175.07602	2.0
175.14833	15.6
177.16391	5.3
181.10216	1.8
181.15880	6.3
187.07535	2.7
189.16374	17.3
193.15860	8.0
203.07048	1.9
203.18015	2.7
207.17389	2.8
217.15855	4.0
227.14317	1.6
233.08150	2.4
245.15335	5.3
245.22633	16.6
263.09174	4.9
263.12836	3.4
263.16397	11.1
263.20215	4.3
263.23697	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.12743	1.5
51.25832	1.9
53.03944	2.1
54.30182	1.4
55.05266	1.8
55.05512	29.7
57.03431	4.0
57.07071	17.8
60.66034	1.6
67.05167	2.6
67.05505	46.7
68.46696	1.8
69.03392	2.3
69.07071	40.9
71.04987	7.8
71.08616	6.1
71.67572	1.9
79.05489	30.0
81.07059	92.8
83.04986	2.9
83.08627	21.1
85.06542	18.0
85.10182	2.8
91.04959	2.5
91.05479	37.2
93.07045	58.3
95.04974	2.7
95.08607	100.0
97.06520	5.3
97.10196	11.4
98.20710	4.2
98.94615	2.2
98.97548	3.0
99.08084	10.4
105.06374	3.8
105.07035	50.8
107.08588	55.4
109.06489	3.7
109.09448	2.9
109.10160	50.3
111.08073	5.3
111.11728	4.5
113.09675	3.2
116.98598	1.9
117.07008	3.3
119.08582	48.6
121.06499	1.9
121.10138	41.5
123.08039	6.5
123.11702	21.4
125.09604	3.6
131.08543	5.1
133.10126	44.1
135.11682	43.3
135.27953	1.9
137.09607	3.2
137.13246	11.2
139.11098	2.6
141.27061	1.9
143.08551	3.3
145.10057	3.7
147.08078	1.9
147.11688	37.3
149.13251	39.1
151.11154	7.4
151.14799	6.0
157.10060	3.1
159.11684	4.3
161.13287	18.5
163.14803	23.7
165.09074	3.7
165.12767	10.7
165.16382	4.3
175.14845	16.4
177.16354	5.7
179.14326	3.8
181.15858	3.7
189.16391	20.7
193.15880	2.7
198.11491	1.7
199.14903	3.7
203.17976	3.9
205.19437	3.5
207.17514	3.5
217.12318	2.3
217.15846	4.6
217.19551	2.1
245.15388	3.0
245.22662	50.4
263.13187	1.8
263.16409	7.3
263.23697	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.91812	1.6
53.03936	2.0
53.62410	1.8
55.05297	1.4
55.05509	15.0
56.96542	6.2
57.03435	2.1
57.07070	11.3
65.03921	2.7
67.05504	80.7
69.07066	20.8
69.50288	2.6
69.50694	9.9
71.04973	2.3
71.08618	4.7
71.84808	1.5
74.31448	1.3
79.05492	23.0
81.07054	100.0
83.04972	3.1
83.08615	15.7
85.06538	3.0
85.10169	2.8
91.05477	18.1
93.07043	24.8
95.04952	2.3
95.08603	86.4
97.06504	6.9
97.10159	6.0
99.08076	4.9
101.00865	2.8
104.99270	56.0
105.07024	15.6
107.08591	16.6
109.06493	3.8
109.10159	48.6
111.08063	3.7
113.09630	2.2
117.06973	2.4
119.01912	2.5
119.07914	1.4
119.08590	17.9
121.10146	19.5
123.08083	3.0
123.11709	18.8
129.07043	1.6
129.65689	1.4
133.10143	17.1
135.11658	12.1
137.13283	7.1
143.01851	4.8
147.08064	2.0
147.11694	13.0
149.13231	11.6
151.14839	4.4
157.10115	2.0
159.11751	1.7
161.02934	7.1
161.13240	12.1
163.14857	7.5
165.12740	2.0
165.16389	11.5
171.11661	1.5
173.03111	2.3
175.14774	6.9
177.16406	2.8
179.17937	4.1
181.29391	1.5
189.16342	4.3
191.04028	2.9
199.06412	2.4
203.17885	2.2
207.11703	1.7
217.07420	3.0
217.15813	1.5
232.07495	1.7
245.15440	1.7
245.18855	2.8
245.22658	32.0
263.05856	3.9
263.08383	1.9
263.16339	5.6
263.20126	8.9
263.23669	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03950	5.8
53.17775	0.8
55.01863	2.3
55.05509	9.3
56.96575	6.7
57.07066	3.2
65.03920	1.8
66.88889	0.7
67.05506	46.6
69.07072	11.3
71.04996	1.9
71.60845	1.3
71.95247	0.9
77.03905	1.3
79.05496	62.4
81.07057	34.9
83.04976	2.6
83.08622	7.5
85.06503	1.9
91.05484	37.7
93.07048	100.0
95.04980	9.7
95.08611	26.2
97.06533	17.1
97.10159	2.8
98.27663	0.9
104.99274	25.0
105.04496	1.2
105.07027	14.2
107.08598	40.0
109.06522	6.7
109.10140	11.2
111.08103	3.5
115.94330	0.8
117.07010	3.2
119.08583	15.4
121.06522	1.6
121.10146	60.0
122.60399	0.8
123.08070	7.7
123.11717	3.1
125.09619	2.4
129.07019	1.3
131.08569	7.0
133.10130	13.4
135.08044	1.7
135.11700	24.2
137.09601	6.9
137.13185	1.2
142.07767	1.3
143.08601	2.2
145.10133	6.7
147.11676	8.4
149.09619	3.6
149.13278	7.6
151.11174	4.0
152.33571	1.1
153.09123	0.9
155.99281	0.8
157.10185	1.6
159.11702	3.1
161.02930	1.9
161.09679	1.6
161.13268	9.3
163.11197	4.4
163.14838	1.8
165.12708	2.1
167.10606	0.9
171.11732	2.4
175.11191	1.3
175.14781	2.3
179.14348	3.7
179.69223	0.9
181.12219	2.7
185.13316	2.4
199.06471	7.2
203.14287	1.3
217.07510	9.5
217.15981	1.2
217.19530	4.8
227.17975	7.1
235.20546	11.2
241.11075	2.1
245.15276	1.3
245.19069	7.0
259.12167	2.7
263.06140	1.5
263.08926	1.1
263.20087	68.2
264.12689	1.1
281.82208	0.9
284.19586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02385	0.9
51.55530	0.6
53.03939	5.3
55.01863	1.4
55.05509	7.1
55.57244	0.5
56.96558	1.9
57.07067	1.4
65.03944	1.7
67.05499	37.2
69.07057	7.3
70.78827	1.7
71.04984	1.3
71.11394	0.6
77.03917	1.1
79.05486	55.7
80.88779	0.6
81.03416	0.8
81.06564	1.1
81.07049	22.1
83.04987	1.5
83.08620	5.7
85.06538	0.9
90.55476	0.6
91.05475	35.8
93.07037	100.0
95.04955	6.4
95.08600	16.7
97.06525	7.5
97.10149	1.4
98.20832	0.6
98.97562	1.3
104.99265	14.6
105.04508	2.6
105.07021	8.3
105.07668	0.8
107.08588	30.1
109.06495	3.1
109.10140	6.0
111.08093	1.9
117.07014	2.6
119.01882	1.0
119.08570	9.7
119.09396	0.5
121.06458	0.8
121.10135	54.1
123.08051	2.1
123.11716	1.6
125.09693	1.1
129.07008	0.9
131.08554	4.6
133.10118	7.2
135.08037	1.6
135.11687	22.6
137.06883	0.7
137.09618	1.1
137.13269	0.6
139.11108	0.6
143.01907	0.8
143.08499	1.4
145.10089	4.6
147.07950	0.9
147.11687	4.6
149.09595	1.7
149.13245	5.2
151.11197	1.1
153.09113	0.8
157.10089	1.4
159.11691	2.0
161.02959	2.4
161.13254	5.3
163.11182	3.3
167.10750	1.2
171.11696	2.1
173.13171	0.9
175.11203	1.1
177.12746	1.5
179.14293	1.9
181.12236	2.6
185.13243	1.7
196.65810	1.0
203.17961	1.0
207.13838	0.7
213.68610	0.6
217.15842	1.4
217.19421	1.6
221.15337	0.7
227.17938	4.1
235.20496	1.2
245.15359	0.8
245.19005	4.4
263.20071	47.9
264.20615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01859	3.3
55.05515	18.4
56.96584	2.1
57.07067	6.8
65.03931	3.4
67.05506	61.2
69.07066	19.1
69.48005	13.2
71.04995	3.8
79.05493	73.9
81.03411	2.6
81.07060	56.9
82.07370	1.4
83.04984	5.0
83.08620	13.6
85.06525	3.6
86.07747	1.8
91.05482	35.8
93.07045	96.6
95.04971	10.6
95.08610	51.9
97.06533	9.4
97.10158	3.5
99.08095	15.7
105.04508	3.4
105.07026	24.2
107.08600	47.4
108.71526	1.6
109.06519	5.8
109.10150	20.9
111.04448	2.0
111.08087	4.9
111.11720	2.4
115.05435	1.9
117.07027	4.8
119.08566	22.2
121.06485	1.7
121.10145	100.0
123.04398	2.4
123.08077	4.6
123.11703	7.5
125.09612	2.7
129.06987	3.0
131.08575	11.9
133.10132	17.5
135.08064	4.4
135.11697	44.3
137.09628	6.2
137.13248	8.3
142.07869	1.7
143.08543	5.3
144.09280	1.7
145.10106	12.8
147.08051	7.2
147.11705	12.5
149.09613	5.7
149.13254	8.2
151.11177	3.4
153.09052	1.8
157.10150	5.6
159.11664	9.6
161.09653	4.0
161.13316	8.1
163.11205	5.6
163.14856	2.9
165.09148	4.6
165.12799	2.4
167.10719	4.3
171.11707	4.7
173.13252	2.5
175.11169	3.6
175.14771	8.6
177.12732	1.7
181.12209	3.8
185.13202	3.0
189.09070	2.6
189.16447	1.9
196.85577	1.6
199.14796	6.3
201.12930	1.7
201.16435	2.6
203.14211	2.5
217.00162	2.3
217.15849	15.8
217.17810	1.9
217.18781	2.7
221.15463	2.4
227.14293	2.4
227.17912	7.8
235.17004	3.3
245.15378	6.5
245.19092	9.4
245.22696	2.0
263.16452	39.5
263.20078	84.7
263.24036	3.4
263.27347	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	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03932	5.9
55.01859	3.3
55.05515	18.4
56.96584	2.1
57.07067	6.8
65.03931	3.4
67.05506	61.2
69.07066	19.1
69.48005	13.2
71.04995	3.8
79.05493	73.9
81.03411	2.6
81.07060	56.9
82.07370	1.4
83.04984	5.0
83.08620	13.6
85.06525	3.6
86.07747	1.8
91.05482	35.8
93.07045	96.6
95.04971	10.6
95.08610	51.9
97.06533	9.4
97.10158	3.5
99.08095	15.7
105.04508	3.4
105.07026	24.2
107.08600	47.4
108.71526	1.6
109.06519	5.8
109.10150	20.9
111.04448	2.0
111.08087	4.9
111.11720	2.4
115.05435	1.9
117.07027	4.8
119.08566	22.2
121.06485	1.7
121.10145	100.0
123.04398	2.4
123.08077	4.6
123.11703	7.5
125.09612	2.7
129.06987	3.0
131.08575	11.9
133.10132	17.5
135.08064	4.4
135.11697	44.3
137.09628	6.2
137.13248	8.3
142.07869	1.7
143.08543	5.3
144.09280	1.7
145.10106	12.8
147.08051	7.2
147.11705	12.5
149.09613	5.7
149.13254	8.2
151.11177	3.4
153.09052	1.8
157.10150	5.6
159.11664	9.6
161.09653	4.0
161.13316	8.1
163.11205	5.6
163.14856	2.9
165.09148	4.6
165.12799	2.4
167.10719	4.3
171.11707	4.7
173.13252	2.5
175.11169	3.6
175.14771	8.6
177.12732	1.7
181.12209	3.8
185.13202	3.0
189.09070	2.6
189.16447	1.9
196.85577	1.6
199.14796	6.3
201.12930	1.7
201.16435	2.6
203.14211	2.5
217.00162	2.3
217.15849	15.8
217.17810	1.9
217.18781	2.7
221.15463	2.4
227.14293	2.4
227.17912	7.8
235.17004	3.3
245.15378	6.5
245.19092	9.4
245.22696	2.0
263.16452	39.5
263.20078	84.7
263.24036	3.4
263.27347	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	263.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01859	3.3
55.05515	18.4
56.96584	2.1
57.07067	6.8
65.03931	3.4
67.05506	61.2
69.07066	19.1
69.48005	13.2
71.04995	3.8
79.05493	73.9
81.03411	2.6
81.07060	56.9
82.07370	1.4
83.04984	5.0
83.08620	13.6
85.06525	3.6
86.07747	1.8
91.05482	35.8
93.07045	96.6
95.04971	10.6
95.08610	51.9
97.06533	9.4
97.10158	3.5
99.08095	15.7
105.04508	3.4
105.07026	24.2
107.08600	47.4
108.71526	1.6
109.06519	5.8
109.10150	20.9
111.04448	2.0
111.08087	4.9
111.11720	2.4
115.05435	1.9
117.07027	4.8
119.08566	22.2
121.06485	1.7
121.10145	100.0
123.04398	2.4
123.08077	4.6
123.11703	7.5
125.09612	2.7
129.06987	3.0
131.08575	11.9
133.10132	17.5
135.08064	4.4
135.11697	44.3
137.09628	6.2
137.13248	8.3
142.07869	1.7
143.08543	5.3
144.09280	1.7
145.10106	12.8
147.08051	7.2
147.11705	12.5
149.09613	5.7
149.13254	8.2
151.11177	3.4
153.09052	1.8
157.10150	5.6
159.11664	9.6
161.09653	4.0
161.13316	8.1
163.11205	5.6
163.14856	2.9
165.09148	4.6
165.12799	2.4
167.10719	4.3
171.11707	4.7
173.13252	2.5
175.11169	3.6
175.14771	8.6
177.12732	1.7
181.12209	3.8
185.13202	3.0
189.09070	2.6
189.16447	1.9
196.85577	1.6
199.14796	6.3
201.12930	1.7
201.16435	2.6
203.14211	2.5
217.00162	2.3
217.15849	15.8
217.17810	1.9
217.18781	2.7
221.15463	2.4
227.14293	2.4
227.17912	7.8
235.17004	3.3
245.15378	6.5
245.19092	9.4
245.22696	2.0
263.16452	39.5
263.20078	84.7
263.24036	3.4
263.27347	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	263.1642
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
51.05079	0.5
55.01865	1.2
55.05517	2.9
57.03426	0.5
57.07081	3.2
59.04993	2.0
61.53667	0.5
67.05507	3.2
69.03410	0.7
69.07081	2.5
69.70783	3.1
71.04996	0.9
79.05500	4.0
81.07056	7.3
83.04986	6.3
83.08597	0.6
85.06536	1.9
91.05479	5.5
93.07053	4.9
93.54984	0.5
95.04974	4.6
95.08618	3.6
97.06559	2.5
99.04398	0.5
104.62202	0.6
105.06363	0.8
105.07027	9.8
106.90501	0.5
107.04956	0.7
107.08602	6.1
109.02884	0.6
109.06528	2.6
109.10155	3.5
111.04453	2.9
114.89546	0.5
115.05449	0.8
117.07032	3.0
119.08583	13.8
121.06509	3.6
121.10171	3.4
123.08096	1.2
123.11703	1.1
125.05988	1.8
128.06239	1.7
129.07016	2.0
131.08582	3.1
133.06482	0.8
133.09132	0.5
133.10136	9.7
135.08058	9.0
135.11688	1.3
137.09610	2.6
142.07762	1.2
143.08568	3.9
145.06461	1.9
145.10141	2.4
146.07263	1.3
147.08055	12.3
147.11678	1.6
148.93315	0.5
149.09636	1.9
149.13219	0.6
156.09317	0.5
157.10091	3.8
159.08081	1.3
159.11697	5.5
161.09625	11.5
161.13235	2.1
163.07489	2.7
163.11177	1.3
164.08345	0.7
170.10928	1.1
171.08003	0.9
171.11760	0.9
173.13280	1.0
174.06747	0.8
175.07552	1.1
175.11182	1.1
175.14839	1.3
177.09122	2.1
179.10692	2.4
185.13239	2.0
187.11308	0.7
189.09142	7.4
189.12733	1.3
190.09894	0.9
192.87225	0.5
199.14836	1.6
201.12621	0.5
202.27718	0.7
203.10612	0.6
203.14322	4.6
207.10175	6.9
215.22115	0.7
217.15906	1.7
217.19464	1.0
227.14363	1.9
245.15375	6.2
263.16428	100.0
263.24057	2.3
264.16742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03949	20.5
55.01875	8.7
55.05519	22.9
56.96563	9.4
57.07070	7.3
65.03953	2.8
67.05505	46.9
69.03433	5.7
69.07069	24.9
70.85117	7.7
71.04993	5.2
71.08636	4.0
79.05495	39.0
81.03419	25.1
81.07059	50.5
83.04982	6.4
83.08639	13.9
85.06534	4.4
91.05481	54.1
93.06469	2.7
93.07052	47.6
95.04971	10.5
95.08610	59.6
97.02889	12.3
97.06553	7.8
97.10181	5.9
99.08093	5.8
101.00871	3.9
103.05456	2.8
104.99274	21.9
105.07037	48.4
107.04955	7.3
107.08601	38.7
109.02882	100.0
109.06512	4.7
109.10161	25.2
111.04444	5.2
111.08093	7.3
111.11755	3.3
115.05531	2.8
117.07010	12.7
119.01926	3.7
119.04926	11.7
119.07773	4.4
119.08585	65.4
121.06515	8.5
121.10134	30.6
123.04433	5.9
123.08121	5.4
123.11713	7.4
128.06221	3.6
129.07001	7.6
131.01840	2.9
131.08571	13.6
133.06516	23.3
133.10127	54.7
135.08075	10.1
135.11665	20.3
137.06032	5.2
137.09621	11.4
139.07600	2.8
143.08533	7.2
145.10103	6.7
147.08064	19.9
147.11707	26.0
149.05984	3.0
149.09627	3.5
149.13278	18.2
151.07567	8.4
151.11234	3.2
151.14899	2.9
153.09109	4.1
157.10107	7.6
159.11690	5.2
161.03033	4.5
161.09619	10.9
161.13251	9.2
163.11206	2.7
163.14803	4.7
165.09142	7.6
167.10614	4.2
171.11636	6.2
175.11223	7.3
175.14830	5.5
179.10629	5.7
181.12297	3.0
183.11555	2.5
185.13332	4.8
189.12746	3.3
189.16354	27.2
193.12164	3.0
199.14833	12.6
200.79680	2.2
203.17909	4.9
207.13815	2.5
217.12160	2.5
217.15886	15.7
221.15483	2.5
235.16994	4.2
245.15392	9.3
245.19022	5.2
263.16248	25.1
263.20108	32.7
263.23877	4.6
263.52991	2.3
281.17514	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	263.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80411	19.0
54.12611	17.7
64.53698	18.1
70.02387	100.0
120.84533	19.2
130.59029	18.1
143.01843	37.1
155.01776	20.3
161.02950	26.6
224.86586	17.8
239.42636	19.9
263.01761	23.6
263.05145	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25515	2.1
77.00857	0.8
81.07033	1.6
82.99844	2.3
85.02880	1.4
86.01461	0.7
90.25943	0.8
95.28733	0.8
97.02897	1.3
98.97577	1.5
100.02466	0.8
100.71205	0.8
101.00879	27.9
102.00950	1.1
102.96867	2.3
103.00624	1.7
104.99270	9.8
105.00349	1.0
109.07588	0.7
111.63807	0.9
113.00846	5.5
116.98631	2.8
119.01922	51.7
120.02052	2.9
120.97866	2.2
121.01644	4.6
131.01907	20.0
134.99654	1.0
136.99712	0.9
137.02979	6.3
142.03510	2.2
143.01895	43.5
145.03450	1.4
149.02968	2.3
150.85271	0.7
155.01903	9.0
156.97453	1.1
157.03444	3.2
161.02954	100.0
162.03128	1.1
167.01837	2.0
172.75264	0.8
173.02959	30.9
175.04527	1.5
177.00911	1.5
178.01016	1.3
179.00684	13.6
179.04028	2.4
184.04564	3.2
185.02954	11.3
191.03998	16.8
197.02948	4.0
203.00948	1.3
203.04001	20.6
215.03951	2.5
216.95012	1.6
219.01978	1.7
219.03906	2.7
221.01773	18.0
221.05064	3.2
227.00732	1.0
233.05046	3.5
234.95985	1.1
239.06354	0.8
239.96155	1.6
239.98483	11.6
245.01759	9.7
245.04861	1.2
245.88124	0.8
251.04216	0.8
256.96997	1.0
257.96765	3.7
261.03070	2.4
263.02869	87.7
263.06079	23.4
264.03043	1.2
275.97723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.0
56.96574	1.4
67.05508	0.9
69.03416	1.6
70.04058	3.4
73.02914	1.4
81.03407	1.3
82.61485	0.9
82.99837	4.2
85.02897	3.8
97.02888	3.4
98.97594	3.5
99.04485	1.0
101.00883	36.1
109.02926	1.3
110.97523	1.0
113.00860	9.0
119.01926	33.4
128.98650	1.2
131.01910	18.1
133.01697	1.0
137.02953	2.2
139.02425	1.1
143.01904	64.7
144.02087	1.4
145.03474	2.1
149.02916	2.3
155.01895	10.0
157.03462	3.8
160.06526	1.0
161.02966	100.0
162.03110	1.5
167.01889	2.1
170.05171	1.0
173.01588	1.0
173.02968	26.7
174.74367	0.9
179.04076	1.4
184.04575	1.8
185.02985	6.4
191.04015	14.6
203.02231	0.8
203.03989	24.1
221.05145	4.5
245.05066	1.3
245.15007	1.2
263.06125	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98813	11.0
71.33824	31.1
93.59855	11.7
96.81815	11.6
101.00884	42.1
119.01862	28.9
131.01897	30.3
143.01889	91.6
155.01898	25.0
161.02962	100.0
173.03009	35.0
191.04015	20.1
202.17363	12.9
203.04033	22.9
263.01605	45.2
263.05850	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85734	5.0
69.52776	27.7
69.53188	15.3
72.88821	4.5
79.80933	5.4
82.99837	7.0
84.65864	5.1
101.00884	37.9
103.12914	5.2
113.00845	14.9
119.01927	39.9
120.44347	5.0
131.01901	18.6
143.01895	70.4
155.01880	17.3
159.18524	5.2
161.02971	100.0
173.02907	32.3
191.04004	14.3
203.04056	31.3
206.88635	5.0
221.05106	5.8
263.01608	14.8
263.06161	36.2
265.78885	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36759	24.6
70.62627	97.3
77.96054	28.4
128.18288	31.5
143.01900	33.7
161.02913	45.9
187.25734	31.3
229.85182	27.0
243.46701	31.5
263.01596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01875	1.2
55.05287	0.8
55.05509	9.3
56.96570	1.3
57.03432	1.4
57.07056	2.5
60.09635	0.8
65.03935	1.6
67.05505	41.2
69.03407	3.0
69.07068	11.5
70.73168	1.6
70.73551	2.0
71.04993	4.2
71.08627	1.1
73.02916	1.0
79.05492	37.2
79.05955	1.8
81.03407	1.5
81.07057	40.0
83.04958	2.2
83.08616	8.0
85.02873	1.7
85.06549	4.0
91.04899	1.0
91.05477	28.9
93.07044	45.9
95.04969	4.3
95.08603	35.5
97.02914	1.4
97.06516	4.3
97.10151	3.1
99.08070	3.1
103.05434	0.8
103.71121	0.9
105.04522	0.9
105.06376	1.5
105.07033	23.1
107.04935	2.2
107.08597	29.4
109.06507	2.9
109.10154	14.1
111.04433	1.2
111.08067	2.7
113.06003	0.9
117.07020	8.2
119.07775	1.6
119.08584	22.2
121.06479	1.2
121.10143	43.3
123.08057	2.5
123.11736	3.8
125.09632	1.6
129.07008	1.2
131.08569	20.2
133.10135	19.2
135.08069	2.7
135.11694	27.7
137.09592	1.8
137.13231	1.9
139.03850	1.0
143.08582	1.0
145.10114	19.2
147.11693	23.1
149.02344	1.3
149.09685	1.9
149.13269	11.3
151.11163	1.7
151.14859	1.2
152.42334	0.9
157.10205	0.8
159.11688	18.3
161.13272	17.6
163.11111	1.5
163.14818	6.6
165.12770	2.4
173.13272	11.4
175.14838	7.8
177.12810	1.1
177.16357	2.6
179.14320	1.7
187.14822	6.9
201.16400	4.1
215.17960	48.5
217.19498	1.8
231.50655	0.9
243.21092	29.4
261.18585	11.2
261.22134	100.0
262.22690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	2.9
55.05253	0.8
55.05510	13.1
57.03416	1.4
57.07072	3.1
59.15106	0.6
65.03929	1.8
67.05503	38.4
69.07068	12.6
71.04977	2.0
71.08606	1.5
71.12939	0.9
71.13264	0.6
72.10152	0.6
79.05493	49.4
81.07057	45.7
83.04979	1.3
83.08621	7.4
85.06541	3.4
85.10151	0.7
85.74773	0.6
91.05483	27.4
93.07043	65.9
95.04942	3.9
95.08607	30.1
97.06538	3.2
97.10149	2.3
99.08125	3.0
99.08659	0.5
103.05446	0.7
105.07031	17.7
107.08594	42.5
109.06519	1.7
109.10152	13.2
111.08081	3.5
111.11746	0.7
113.09626	1.1
117.07001	6.5
119.08583	15.6
121.10142	40.7
122.43673	0.6
123.08070	2.0
123.11674	4.8
125.09657	0.8
131.08554	14.0
133.10138	12.1
135.11694	32.2
137.09578	1.5
137.13263	1.2
139.11197	0.8
145.10115	15.2
145.49054	0.6
147.11682	11.7
149.02382	0.8
149.09659	0.8
149.13258	24.6
151.11205	0.8
153.12759	1.2
159.11703	10.2
161.13257	13.5
163.11172	0.7
163.14821	19.7
165.12752	2.3
171.11714	0.7
173.13258	11.1
175.14838	4.5
177.12656	0.7
177.16423	4.4
179.14317	1.8
187.14833	7.7
189.16351	1.2
201.16388	2.8
215.17937	9.8
217.19453	0.7
219.17244	0.6
233.22583	1.4
243.21097	25.9
246.67334	0.6
255.04724	0.6
261.22137	100.0
262.22522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03933	3.2
53.04174	0.8
55.01871	0.9
55.05511	12.2
56.96544	3.3
57.03431	1.7
57.07060	2.8
65.03928	2.8
67.05505	36.5
67.22775	0.8
69.07071	14.3
69.90686	2.8
71.04983	2.4
71.08635	1.7
79.05492	49.2
81.07057	40.7
83.08622	8.8
83.55550	0.8
85.06535	3.2
91.05476	29.7
93.07044	67.7
95.04952	3.7
95.08607	37.1
95.09229	1.3
97.06543	4.2
97.10144	2.8
98.97554	1.2
99.08082	4.2
105.04495	1.0
105.06377	1.3
105.07037	20.9
105.07741	1.5
107.04934	1.5
107.08595	52.4
109.06483	2.4
109.10155	20.1
111.08079	3.2
111.11667	1.2
117.07019	8.5
117.33989	0.9
119.07784	1.6
119.08580	22.8
120.25150	0.9
121.10143	44.3
123.08057	2.6
123.11715	7.4
125.09613	1.4
129.07018	1.3
131.08551	16.4
132.09006	0.9
133.06444	0.9
133.09221	1.5
133.10135	14.6
135.11693	33.2
137.09595	2.5
137.13239	1.3
139.11157	1.1
145.10126	21.8
146.10422	1.0
147.11679	15.8
149.02357	3.0
149.09627	1.2
149.13266	25.7
151.11171	1.4
151.14722	1.2
155.57457	0.8
159.11688	16.0
161.13242	12.7
163.14813	18.7
165.12796	1.9
171.11530	1.0
173.13249	15.9
175.14856	4.9
177.12746	1.0
177.16364	5.7
179.14256	1.3
181.28450	0.9
187.14810	10.2
189.16350	2.5
191.10728	1.2
201.16483	4.5
205.14157	1.9
215.17955	49.9
217.19627	1.5
219.17514	1.1
243.17361	1.8
243.21089	38.5
261.09573	1.1
261.18555	16.7
261.22119	100.0
262.22327	1.5
269.18137	0.9
282.09573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	3.4
55.01857	0.9
55.05508	13.4
56.96544	0.7
57.03426	1.3
57.07083	4.3
58.17936	0.6
58.23473	0.5
65.03936	1.5
67.05502	37.3
69.07065	11.9
69.44743	5.3
71.04987	2.5
71.08627	1.3
77.03905	1.2
79.05492	52.1
81.07054	46.8
83.05058	0.7
83.08618	6.7
85.06538	4.2
91.05479	27.3
93.07043	69.9
95.04958	2.7
95.08604	31.7
95.09225	1.3
97.06522	2.7
97.10167	2.7
98.21545	1.3
99.08080	2.6
105.04528	1.1
105.07029	20.2
107.08591	45.2
109.06509	1.8
109.10149	15.4
111.08075	2.8
113.09612	1.4
115.05402	0.7
117.07006	5.1
119.08577	14.8
121.10139	41.5
123.08071	1.0
123.11703	4.5
125.09611	1.5
131.08562	14.0
133.10127	13.8
135.08098	0.9
135.11691	34.3
137.09587	1.7
137.13185	1.6
139.11192	1.2
145.10124	13.8
147.11690	12.3
149.02348	0.8
149.09686	0.6
149.13257	28.1
151.11172	1.1
151.14821	1.1
153.12697	0.7
159.11690	11.4
161.13234	9.6
163.14813	20.1
165.12753	1.0
173.13261	9.9
175.14809	5.8
177.16429	4.0
179.14316	1.5
185.13261	0.8
187.14835	8.2
189.16348	1.8
191.14351	0.9
201.16310	3.2
203.17773	0.9
205.15913	1.6
206.85721	0.6
215.17941	3.8
243.21075	33.2
261.22137	100.0
262.22388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05513	15.4
56.96550	1.9
57.03421	1.5
57.07072	5.0
65.03938	1.8
65.34386	0.7
67.05505	44.6
69.06712	1.0
69.07071	15.0
69.93492	3.7
71.04987	2.5
71.08618	1.9
77.03952	0.7
79.05496	59.8
81.07059	50.3
83.04983	1.2
83.08626	8.8
85.06557	4.7
91.05484	29.2
93.07049	79.0
94.07370	0.7
95.04978	5.1
95.08611	39.1
97.06532	3.2
97.10164	2.8
97.39182	0.7
98.97607	1.3
99.08104	3.4
103.05470	0.9
105.04548	0.8
105.07036	22.1
107.04949	1.1
107.08599	48.5
109.06516	2.1
109.09444	1.1
109.10161	15.9
111.08071	4.3
111.11694	0.8
113.09637	1.4
115.05454	0.8
117.07011	7.3
119.06046	0.8
119.08582	18.4
121.10146	43.5
123.08060	2.3
123.11712	4.7
125.09620	0.9
129.07056	0.7
131.08572	18.7
133.10141	16.4
135.08102	1.3
135.11702	33.2
135.96365	0.7
137.09583	2.2
137.13229	1.2
139.11163	0.8
139.82542	0.7
143.08537	1.1
145.10118	17.3
147.11697	10.8
149.02319	1.7
149.09618	1.7
149.13264	26.1
151.11201	1.5
159.11700	11.8
161.09644	0.9
161.13261	12.4
163.11180	1.1
163.14824	21.3
165.12885	1.4
167.36636	0.8
171.11644	0.8
171.59570	0.8
173.13269	11.2
175.14818	5.4
177.16374	4.5
179.14310	1.7
187.14861	9.5
189.16460	1.2
201.16339	4.2
203.17906	1.0
205.15944	0.9
215.14391	2.1
215.17902	6.2
217.19397	0.9
219.17537	1.1
233.22676	1.2
243.21091	33.3
261.18771	3.6
261.22150	100.0
262.22470	1.7
263.24350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
50.80260	0.6
53.03932	0.9
55.01855	0.8
55.05510	4.8
56.96559	2.2
57.07071	1.5
63.75659	0.7
67.05508	11.2
69.07071	5.8
71.04981	0.9
71.08618	0.9
71.60981	0.7
79.05049	1.0
79.05492	12.7
81.07056	13.5
83.08606	2.9
85.06510	0.7
91.05489	9.1
93.07047	20.1
95.04980	1.2
95.08033	1.3
95.08610	14.4
97.06526	1.5
97.10155	0.9
98.97566	1.1
105.07041	8.2
107.04926	1.1
107.08598	21.5
109.10155	9.4
111.08084	1.0
116.09985	0.7
116.98571	1.0
117.07040	4.2
118.07655	0.8
119.08587	15.7
121.06541	0.8
121.09303	1.0
121.10150	16.3
123.11693	3.0
129.06985	0.8
131.08572	6.8
133.10132	7.8
135.11688	9.2
143.08591	1.1
144.09380	0.9
145.10127	23.0
146.10881	1.0
147.11688	5.6
149.02350	1.8
149.13239	4.8
159.11696	13.4
161.13214	2.8
163.14833	3.0
173.13271	8.4
175.14809	1.6
177.09171	0.7
177.16409	0.8
179.10651	0.8
187.14790	3.7
201.16353	1.3
205.12297	0.9
215.17960	100.0
216.18300	0.9
217.19542	1.6
233.19020	1.0
243.21094	7.3
261.09412	1.3
261.12949	1.2
261.18509	38.2
261.22125	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	3.9
55.01858	2.7
55.05508	16.7
56.96556	2.0
57.07051	6.6
67.05167	3.0
67.05504	37.2
69.07059	14.5
71.08606	1.7
71.62162	2.2
71.62540	2.2
72.85992	1.8
79.05489	47.3
81.07056	44.8
83.08621	9.5
85.06519	4.1
85.10143	1.8
91.04954	2.5
91.05478	24.7
91.11650	1.9
93.07045	70.8
95.04971	3.4
95.08045	2.7
95.08607	36.0
97.06521	6.3
97.10188	2.5
99.08092	2.6
105.07027	24.5
107.08592	47.2
109.06506	4.9
109.10159	16.8
111.08087	2.9
117.07001	5.8
119.08586	22.9
121.10144	45.4
121.73317	1.9
123.08047	3.5
123.11674	5.7
131.08569	15.4
133.10130	13.2
135.11693	39.3
137.09554	2.5
145.10104	18.7
147.11681	14.8
149.02350	4.2
149.13260	25.8
159.11676	12.8
161.13266	11.2
163.14803	22.8
171.11697	2.1
173.13295	11.8
175.14854	3.5
177.16400	6.7
185.13245	2.0
187.14841	9.9
193.10649	2.0
201.16353	6.0
203.17863	2.0
215.17929	19.7
219.17264	2.1
229.08365	1.9
243.17378	4.4
243.21098	29.1
261.12976	6.0
261.18564	11.7
261.22128	100.0
261.25278	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	261.0371
Annotation	beta-D-Fructose 2-phosphate
Peak:m/z	Relative Intensity
50.56711	0.5
53.03939	0.5
55.01869	0.6
55.05485	0.5
56.96564	3.8
57.03426	2.4
57.07104	0.6
58.72253	0.5
61.02927	3.6
62.06182	0.5
65.03938	0.7
67.05498	0.6
69.03430	8.0
69.64257	0.5
70.06588	1.2
71.04985	1.8
71.60647	0.5
73.02943	1.3
77.31315	0.5
81.03420	3.8
81.04546	0.6
84.08146	0.8
85.02908	34.8
87.04511	0.5
91.03970	1.6
96.15571	0.5
97.02898	15.0
98.97591	4.8
98.98468	100.0
99.04470	3.2
99.05597	0.7
109.02905	3.8
110.97583	1.9
116.07129	0.6
116.98623	2.8
116.99498	2.4
119.01879	0.6
124.99030	0.5
127.03919	8.4
128.98624	1.8
130.06532	1.5
131.06842	1.3
134.99612	0.7
140.98602	1.1
143.00165	1.3
144.13872	1.5
145.04961	7.5
146.99689	1.0
149.02327	3.3
157.07658	1.1
158.05992	1.3
158.07970	3.0
158.99638	1.3
163.06059	0.7
170.99602	1.1
173.07111	0.7
177.00774	0.8
182.99673	0.8
189.00696	0.9
199.11267	0.6
201.00743	1.5
215.07123	0.6
219.01732	3.0
237.02864	2.3
261.03229	1.2
261.05911	2.9
261.09753	3.9
261.14780	0.6
261.18103	0.8
261.22177	0.6
263.70499	0.5
279.04028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
52.11755	0.7
53.03933	1.2
55.01856	1.2
55.05517	4.0
56.96564	1.2
57.03421	1.7
57.07083	1.3
65.03943	1.6
67.01836	0.6
67.05503	7.4
69.03440	5.1
69.07064	7.2
70.95465	1.0
70.95824	1.8
71.04976	2.7
72.27596	0.7
72.93768	0.8
73.02925	0.9
76.28355	0.7
79.05485	7.9
81.03398	1.9
81.07051	11.0
83.05003	3.0
83.08604	2.9
85.02906	5.6
85.06481	0.6
91.05474	6.8
93.07050	9.6
95.04977	3.1
95.08607	13.9
97.02912	5.3
97.06537	1.5
97.10179	1.2
98.03270	0.6
99.04449	1.8
103.05433	0.7
105.07026	12.5
107.04929	2.9
107.08590	9.1
109.02863	2.2
109.06545	1.0
109.10153	6.9
111.04467	3.2
111.08091	0.7
112.26717	0.6
113.05994	2.7
115.03909	1.1
117.07027	5.1
119.08576	14.5
121.06486	1.6
121.10136	9.1
123.04446	0.9
123.08076	1.3
123.11709	1.9
129.05493	0.9
129.06966	1.1
130.07803	0.8
131.08562	9.2
132.95840	1.4
133.06480	1.2
133.10136	9.7
135.04459	1.4
135.08041	1.4
135.11694	4.0
139.03922	0.9
139.07544	1.2
143.08559	2.5
144.09358	1.4
145.06473	1.5
145.10124	15.4
146.97345	0.8
147.08041	2.1
147.11713	5.3
149.02307	2.4
149.05978	1.6
149.09615	1.3
149.13254	1.4
151.07518	1.0
151.11290	0.7
156.95970	0.8
157.10121	1.8
158.97371	1.2
159.07974	0.8
159.11688	27.6
161.05917	0.7
161.09621	1.0
161.13240	2.9
163.07498	0.9
163.11154	1.0
165.05481	0.8
169.10121	1.2
171.11632	1.2
173.09593	1.3
173.13290	9.9
175.11142	0.9
175.14795	2.3
177.12807	1.3
183.11679	0.9
187.11086	0.9
187.14799	3.3
189.16382	1.2
191.10635	2.4
193.12331	0.9
197.09537	0.7
197.13283	1.4
198.97037	0.8
199.14780	1.6
200.15526	1.1
200.98483	0.8
201.09122	0.8
201.16393	3.5
203.14380	1.3
205.12210	2.4
215.17957	100.0
216.18257	1.7
219.17473	2.0
225.16315	2.2
233.06926	0.8
233.18967	2.3
243.13817	1.7
243.17513	5.9
243.21178	1.3
261.07187	0.8
261.09650	1.9
261.14783	5.5
261.18506	45.6
261.21964	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03932	0.6
55.05479	2.0
56.08034	0.4
56.96574	2.2
56.96786	0.5
57.07056	0.7
58.28428	0.4
67.05512	4.2
67.21015	0.4
69.07072	3.6
71.60831	0.4
71.61214	0.6
73.42042	0.4
79.05499	3.7
81.07063	5.5
83.08578	1.4
90.29511	0.5
91.05498	3.8
93.07055	6.4
95.08047	0.5
95.08610	7.4
104.67944	0.4
105.07029	5.7
107.08602	11.2
109.10159	4.2
117.07034	2.6
119.08582	13.5
119.09439	0.8
119.51105	0.5
121.10148	6.2
123.11654	1.1
128.72282	0.4
130.07794	0.7
131.08578	4.8
133.10141	3.9
135.11705	2.4
144.09326	0.7
145.09019	0.8
145.10130	15.6
147.11688	2.4
149.02341	1.2
149.04834	0.7
149.09532	0.6
149.13214	1.4
153.09070	0.6
157.10127	0.7
159.11705	10.7
161.13202	1.5
163.14845	0.5
165.09117	0.6
172.12450	0.9
173.13275	5.9
175.14761	0.8
177.09073	1.2
179.10677	0.5
186.13995	1.0
187.14787	1.3
201.16415	0.5
215.17964	100.0
216.18346	0.8
217.19542	1.0
233.19109	0.9
243.17343	0.6
243.21088	1.6
261.12808	0.9
261.18536	31.4
261.22064	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.01421	2.2
55.05508	8.5
61.85905	2.6
62.95832	2.2
66.90347	2.3
67.05497	10.2
69.07069	36.7
69.63442	5.9
69.63853	9.4
71.04993	22.8
79.05490	12.0
81.07060	20.0
83.04964	4.9
83.08607	7.3
85.06540	21.4
91.05479	11.4
93.07038	17.7
95.04973	4.4
95.08608	18.9
97.06494	2.8
97.10123	2.8
98.36732	2.7
105.07034	29.8
107.08598	19.2
109.06509	9.1
109.10153	11.4
111.08067	14.6
117.07033	6.3
119.08576	55.5
121.10159	16.6
123.08080	4.4
123.11712	28.8
127.20955	2.5
129.07008	3.7
129.50551	2.5
130.07797	3.7
131.08575	18.0
133.10123	40.4
135.08043	16.2
135.11693	6.3
137.09593	4.9
137.52856	2.6
143.08546	10.0
144.09369	2.8
145.10120	34.6
147.11710	21.4
149.13377	2.5
151.11287	2.8
156.09462	3.4
157.10194	11.5
159.11700	34.6
160.12474	3.6
161.13257	38.7
163.11069	3.6
171.11700	18.1
173.13292	7.5
175.11180	6.9
175.14821	92.9
176.15648	4.3
177.12773	5.7
177.16414	3.6
185.13295	16.2
189.12775	7.7
189.16368	8.4
190.13545	2.5
199.14812	5.1
201.16385	32.0
203.14296	8.5
215.17923	5.4
217.19568	6.3
241.19553	18.6
259.20575	100.0
264.73740	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	259.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66204	4.4
53.03948	7.0
55.01870	14.5
55.05507	6.5
56.96571	59.6
57.03447	20.9
61.02926	21.9
61.79810	4.4
65.80360	4.0
67.05502	7.3
68.99789	4.3
69.03429	75.2
70.06574	9.6
70.84027	7.1
71.05006	10.4
72.08141	7.2
73.02924	41.8
79.05482	6.4
81.03416	18.5
81.07072	6.2
82.06580	7.5
82.99833	5.9
83.04982	7.2
84.04512	10.1
84.08138	25.5
84.96017	4.1
85.02905	79.7
85.06527	6.4
86.03259	6.0
86.09724	14.2
87.04472	9.6
87.22221	4.5
88.54044	4.1
89.03909	4.9
94.17848	4.7
95.05013	5.2
97.02277	6.3
97.02898	100.0
97.06531	16.4
97.08415	3.7
97.96780	6.3
98.97595	53.7
99.04462	12.7
100.02207	76.5
100.07618	4.2
100.20045	4.1
100.99129	6.2
101.00892	20.5
102.05520	4.8
105.33745	5.1
107.04956	9.6
109.02872	19.2
110.97576	13.9
111.04439	6.3
111.05643	4.5
112.88731	4.6
112.99157	7.0
113.00871	10.7
114.05495	4.2
115.02455	7.9
115.03924	7.9
116.98638	24.1
119.01905	44.4
121.00790	4.7
123.02863	4.5
123.04439	8.0
123.12682	4.5
126.04344	4.0
127.02446	6.5
127.03910	20.0
128.02388	5.4
128.98611	13.6
129.10249	6.6
130.10538	5.3
131.00140	9.9
131.01897	20.9
133.01721	8.3
133.03471	19.8
134.99670	5.4
135.04417	7.1
136.06184	13.5
137.05988	7.4
139.05023	4.7
143.00191	10.5
143.01878	9.4
144.02083	4.5
144.05696	5.5
145.01642	5.2
145.03474	11.9
145.05106	7.9
146.02716	78.5
146.99669	5.3
147.01352	6.4
147.03157	7.0
149.01205	7.6
149.02916	6.2
153.03915	4.9
155.01799	8.1
155.04669	4.6
156.97430	7.4
157.03435	6.7
158.97345	6.3
158.99658	14.8
161.01352	4.3
161.02951	19.2
162.98947	4.1
163.02725	7.0
163.03978	17.3
168.55656	5.0
169.04233	21.6
169.06355	5.4
170.05145	7.1
170.55400	4.6
171.05060	7.3
172.05083	6.7
172.95213	5.0
173.02943	13.6
174.03355	8.3
175.02731	17.6
175.04335	7.1
177.00731	15.2
177.04218	9.7
178.04958	39.7
183.04953	5.2
185.02936	6.5
187.07639	18.8
189.00751	7.3
191.02292	8.2
191.03952	10.7
193.00186	5.3
193.01717	5.8
194.03310	5.1
198.03052	6.8
198.98584	7.7
199.02179	19.8
203.04005	12.3
205.00246	7.6
205.03931	4.7
207.01883	4.6
213.06984	11.5
215.03963	6.2
215.07315	5.2
216.04115	6.6
216.99956	9.0
217.01958	9.5
217.05594	7.7
219.01717	10.5
221.05081	10.5
223.01248	12.3
230.99529	5.7
231.03072	20.1
231.06633	7.8
235.04794	8.0
236.94339	5.8
237.02838	10.9
241.03192	13.6
250.07088	8.9
254.95197	7.2
259.04126	98.6
259.06482	23.5
259.13565	8.1
259.16675	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	259.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	4.3
69.03417	5.9
70.33620	4.0
75.45119	1.1
79.05469	1.6
81.03371	1.5
81.04535	1.3
81.07015	1.4
83.04967	1.6
85.02903	3.5
86.09706	2.0
91.05479	1.6
96.51635	1.2
97.02889	8.0
97.07661	1.8
98.97591	3.7
111.04521	1.5
115.05407	2.0
116.98564	1.8
121.06465	1.4
125.05933	1.2
127.03925	1.7
129.07037	1.3
135.04427	5.9
137.06004	1.3
140.00240	1.3
143.00153	2.5
143.04829	1.4
155.25687	1.3
157.06473	1.6
161.01187	1.6
161.05994	3.5
163.03900	9.5
175.07645	1.7
181.06525	1.3
185.01189	2.1
185.05981	2.3
195.96124	1.2
202.34421	1.3
203.05324	1.6
203.07069	1.5
206.03391	1.8
213.05505	10.5
215.07083	1.4
222.80368	1.1
229.17012	1.4
231.06526	6.7
254.00893	2.6
259.06110	8.4
259.11545	100.0
259.16519	3.7
268.25769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2112
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
52.69757	3.7
55.05518	37.0
56.29837	3.9
56.96555	15.8
57.07062	15.7
60.08142	11.4
60.13800	4.1
67.05505	45.3
69.07069	45.4
69.47167	29.2
71.04987	16.7
72.06564	3.5
79.05482	17.8
81.07061	69.0
83.08630	49.1
85.06528	9.4
91.05465	12.6
91.88290	4.0
93.07018	17.2
94.95715	3.6
95.08034	7.4
95.08607	100.0
97.10166	33.0
98.97590	51.8
105.07042	17.6
107.08578	12.9
109.10153	53.5
111.11703	17.6
112.88828	3.8
116.98631	28.4
117.03194	3.8
117.07047	8.0
119.08591	10.7
121.10149	19.8
123.11717	28.2
123.76087	3.9
125.09613	6.6
129.06985	4.6
131.08565	14.0
133.10132	5.6
134.99707	10.0
135.11684	10.0
137.13229	8.8
143.08534	10.7
145.10144	20.6
147.11679	11.0
151.11250	4.5
157.10123	9.8
159.11656	13.6
161.09669	5.0
161.13210	5.6
169.10034	4.9
171.11615	6.1
173.13231	10.5
183.11679	8.6
185.13280	6.9
193.19534	17.6
197.13298	4.9
199.14894	7.7
203.17928	16.0
221.18970	5.1
227.10980	5.2
239.17949	6.9
257.15393	16.9
257.18884	26.5
257.20914	33.3
257.26810	4.2
257.27295	5.0
257.30319	69.7
258.27963	4.7
274.97614	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	258.1102
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
55.01862	0.9
56.05014	0.6
56.96557	0.6
57.03433	2.0
57.71914	0.3
58.06586	0.7
60.07874	0.5
60.08167	9.8
61.02913	1.9
62.67717	0.4
63.34627	0.3
66.60646	0.3
69.03432	3.7
70.06579	1.2
71.01340	0.6
71.04990	0.6
71.07375	3.0
71.60715	0.5
73.02920	4.7
81.03407	1.8
82.06581	1.0
84.04505	0.8
84.08134	1.1
85.02907	6.3
86.09709	19.0
87.04452	0.9
95.04939	0.4
96.04500	6.8
96.05113	0.7
97.02905	5.0
98.97595	1.5
98.98448	2.9
99.04455	0.8
101.00878	1.1
103.53523	0.4
104.10746	100.0
105.11162	0.3
109.02898	0.8
109.07639	1.1
110.01327	0.4
112.99148	0.4
113.00839	0.4
115.02430	0.3
116.07107	0.4
116.20350	0.4
116.98605	0.7
119.01940	2.1
120.01987	0.6
124.03969	0.6
125.00010	23.0
126.06628	0.4
127.03927	1.8
131.00230	0.5
131.01881	1.3
132.01982	0.5
132.03479	0.5
133.03415	0.4
135.06308	0.5
138.03441	0.4
140.02339	0.9
143.00183	0.6
143.01932	2.6
145.03452	1.8
145.04977	0.5
147.03142	0.9
149.02895	0.5
152.07050	0.7
153.07405	0.7
155.01892	1.6
155.08179	1.3
156.02054	0.6
157.03438	0.8
161.02979	2.4
161.05557	1.3
161.06857	0.4
161.55568	0.4
168.03482	0.6
168.04640	0.8
169.04347	0.5
170.05046	0.4
170.56253	0.5
173.01540	0.4
173.02963	2.0
174.03145	0.5
175.04625	0.4
177.02766	0.6
177.04182	2.2
178.04916	0.9
183.05028	0.8
183.07724	1.4
184.07356	9.4
185.02950	0.6
189.04254	0.6
191.03859	0.9
196.10785	0.7
199.03693	0.7
203.04025	1.5
215.04027	0.6
218.88916	0.4
221.05104	1.0
222.05275	0.4
233.05090	0.8
234.98810	0.8
235.06708	0.9
245.05115	1.0
249.06374	0.6
258.11075	17.0
259.07874	1.3
263.06271	1.2
277.06473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.02373	0.8
55.01886	0.9
55.05511	4.4
56.96564	1.0
57.07059	2.1
67.05501	5.4
69.07065	5.2
71.04994	5.4
71.34398	1.6
79.05481	7.2
81.07054	5.2
83.04951	1.3
83.08621	2.4
85.06531	2.7
91.05476	8.5
93.07045	14.1
95.04958	4.3
95.08605	10.4
97.06509	1.2
98.20775	0.7
98.97572	3.4
99.08071	1.2
103.05457	1.0
105.07027	26.1
106.07816	1.0
107.07938	1.5
107.08585	15.2
109.06512	5.8
109.10150	9.9
111.08085	2.0
113.09660	1.0
115.05392	1.1
117.06990	5.1
119.06139	0.7
119.07780	1.5
119.08578	20.6
121.06572	0.9
121.10140	68.3
123.08098	3.7
123.11701	1.0
124.13181	0.7
128.06206	2.1
129.07018	4.5
130.07771	1.5
131.07668	1.4
131.08563	12.3
133.07603	1.9
133.10126	10.1
135.08055	15.1
135.11688	3.1
137.09602	5.0
141.06970	2.1
142.07755	6.2
143.08551	16.6
144.09331	3.1
145.10130	16.1
146.31384	0.7
147.08055	0.9
147.11681	5.3
149.09648	4.1
151.11128	1.0
153.06999	1.6
154.07732	1.4
155.08527	4.4
156.09317	3.6
157.10121	23.5
158.10912	4.1
159.08078	1.8
159.11687	20.9
161.09608	2.5
161.13228	1.8
163.11200	4.2
165.90102	0.7
167.08563	1.1
168.09290	2.3
169.10121	10.1
170.10835	1.2
171.11685	12.9
172.08797	0.9
173.09589	2.1
173.13261	25.7
174.14009	1.7
175.11154	2.0
175.14781	2.6
177.12781	2.2
181.10287	0.9
182.10895	2.4
183.11682	11.5
184.12434	3.1
185.13258	2.5
186.10385	0.8
187.11201	7.4
187.14798	3.6
188.11969	0.9
189.12729	3.0
195.11736	1.7
197.13228	9.0
199.12938	1.7
199.14812	36.1
201.12747	8.4
209.13152	1.7
211.14896	1.5
213.16393	12.4
214.17082	3.1
215.14348	2.9
215.17935	8.6
224.15500	2.0
239.17946	16.1
239.20337	0.8
257.18997	100.0
257.26569	8.2
258.19345	1.5
258.27927	3.2
274.97565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01863	6.3
55.05288	2.6
55.05517	27.9
56.96565	5.2
57.03424	4.1
57.07064	10.1
58.07401	4.2
58.95923	2.4
65.55412	2.5
67.05508	27.7
69.03419	10.6
69.07075	19.3
70.06580	9.2
71.01334	2.8
71.04971	10.1
71.08631	2.8
71.61700	3.5
79.05508	16.4
79.05882	2.5
81.03400	3.9
81.07047	25.1
83.04983	72.8
83.08617	16.8
85.02898	11.4
85.06541	5.1
87.42315	2.7
88.07620	15.0
89.07956	4.4
89.93105	2.6
91.05490	23.1
93.07051	28.3
95.04993	13.9
95.08602	39.4
97.06522	11.4
97.10160	7.5
98.97591	11.9
99.04441	7.1
99.08054	3.6
101.06020	4.2
102.09199	13.1
103.09519	4.0
105.07041	20.2
107.08610	14.3
109.06496	7.1
109.10162	23.4
111.04449	38.3
111.08073	6.8
113.06004	5.8
116.98615	8.6
117.07024	9.5
119.08575	31.7
121.06489	8.6
121.10129	10.8
123.04391	4.0
123.08031	12.5
123.25578	2.6
127.03854	2.6
128.06212	3.1
129.06952	3.9
131.08554	10.4
133.10127	20.5
134.99669	3.0
135.11684	6.1
137.05945	3.3
137.09607	15.5
143.08553	11.3
145.10129	14.7
147.11713	7.6
149.13237	7.0
151.14801	7.7
153.05470	20.4
155.08524	4.3
157.06453	2.6
157.10117	5.0
159.11679	11.0
161.13203	7.1
163.14796	3.0
169.10107	7.5
171.11665	5.4
173.13310	4.9
175.14825	35.2
183.11812	2.4
185.13268	13.2
187.14905	3.4
193.15936	17.8
197.13326	4.4
199.15038	2.7
201.09145	2.5
203.14313	11.1
211.14757	5.6
221.08002	2.3
221.15364	13.8
239.09196	6.4
239.18048	5.7
257.05118	4.4
257.10129	4.1
257.15268	8.6
257.17337	51.2
257.22705	15.4
257.26694	100.0
274.97491	5.6
275.48895	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28942	0.5
53.03933	0.8
55.01853	2.2
55.05496	1.1
56.96551	2.1
57.03433	7.5
61.99236	0.6
67.05496	2.2
67.38576	0.6
69.03416	2.0
69.07085	0.7
71.04974	1.3
73.02914	4.3
75.04461	2.2
79.05495	6.2
81.07051	2.4
84.96030	0.9
85.02895	0.9
85.06528	0.8
88.53075	0.5
91.05485	3.0
93.07034	2.0
94.04161	1.0
95.04958	1.5
95.08593	2.2
97.02889	2.1
97.10155	0.6
98.20779	1.6
98.97585	6.0
103.05450	3.4
105.07026	30.7
107.04948	9.2
107.08617	0.9
109.02924	0.5
109.06534	1.4
109.10136	0.9
110.97549	1.9
111.04456	1.0
112.99104	0.8
115.03951	1.0
115.05449	1.0
115.48411	0.5
116.98638	2.2
117.07018	1.0
119.08582	1.5
119.51849	0.6
121.06484	1.1
121.10172	0.6
122.03669	3.0
124.05134	0.7
128.98625	2.3
131.00203	0.7
133.06488	51.3
133.10103	1.1
134.99593	0.6
135.04440	1.4
135.08026	0.8
137.05974	100.0
138.06317	0.8
141.06889	0.6
143.00150	1.2
143.08456	0.7
147.04436	1.0
151.07545	0.6
158.99684	1.3
160.08865	0.7
161.09579	0.7
163.07483	4.1
165.09113	23.6
175.07565	3.3
175.14839	1.1
177.00606	0.6
177.09142	1.3
181.08612	1.2
182.09457	0.8
183.10132	3.6
185.01205	0.9
188.54990	1.0
193.08513	0.7
197.05960	0.8
203.02243	0.7
203.10739	1.4
209.11765	1.1
214.03870	0.8
219.01756	1.1
221.09859	1.2
221.11783	2.3
236.06195	0.6
236.56091	2.2
237.02846	1.1
239.11021	1.6
239.16359	0.7
245.56519	2.3
256.46701	0.6
257.07474	0.6
257.13626	1.0
257.26926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03947	1.1
55.05500	2.7
57.03409	0.9
58.59292	0.7
65.03935	4.7
67.05496	4.4
69.03400	1.1
69.07055	2.6
71.04980	0.9
71.61458	0.7
79.05494	3.9
81.07047	4.7
82.02930	1.1
83.04978	2.2
91.05499	4.0
92.05023	5.1
93.07033	2.3
94.06564	2.4
95.01512	0.8
95.04942	1.8
95.08625	1.9
97.06516	1.0
97.10132	1.0
98.97577	2.3
105.07030	5.3
107.08595	2.7
108.08167	1.1
109.10158	1.5
109.88712	0.8
115.05425	1.4
116.98576	1.0
117.07005	4.4
119.08591	6.1
120.04458	2.7
121.10115	1.8
122.06033	2.5
128.06238	1.9
129.07025	2.7
130.06534	1.0
131.08574	5.3
132.08086	1.9
133.10144	3.3
135.06767	1.1
135.08157	0.8
136.07547	0.9
141.06992	2.0
142.07779	1.2
143.07425	1.2
143.08525	7.7
143.09334	0.7
144.08087	0.9
144.09288	0.9
145.06433	1.3
145.08966	1.5
145.10117	3.2
147.11702	1.5
153.05458	1.3
154.06528	2.1
155.07324	1.4
155.08554	3.0
156.08116	1.9
156.09309	1.0
157.10127	3.8
158.06006	1.4
159.09200	3.3
159.11765	3.8
160.07594	2.3
161.09547	1.0
161.13220	1.2
163.07500	1.4
166.37552	0.8
168.08133	3.4
169.09023	4.3
169.10173	4.0
170.09650	1.3
171.09190	2.1
171.10457	1.6
171.11717	3.6
172.07648	1.5
172.09944	2.5
173.09607	1.2
173.13280	2.2
182.06055	0.8
183.06830	1.2
183.09126	1.3
183.11726	2.9
184.07629	3.7
184.11221	6.7
185.07120	2.1
185.10725	4.5
185.13290	1.1
186.09149	0.9
186.11487	8.4
186.12674	0.8
187.08826	4.6
196.07614	1.9
196.12439	1.1
197.08336	7.1
197.13252	1.8
198.09268	1.0
199.08542	6.0
200.09438	9.2
200.13074	1.0
201.10371	3.7
201.13896	13.6
201.15924	1.2
211.08640	1.6
211.14799	6.1
212.10704	11.8
213.06631	8.2
213.10152	7.5
213.16493	1.6
214.07477	1.8
214.10770	7.8
217.23428	0.8
227.08142	7.7
228.08905	11.0
229.09853	17.3
229.13359	55.2
239.11774	1.7
239.17993	5.3
240.10266	1.8
241.09697	6.5
242.10501	9.8
257.12878	100.0
257.15356	9.6
257.18973	11.4
257.22635	2.5
258.13187	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1134
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
53.03933	4.6
55.01860	4.7
55.05497	3.3
56.96329	1.1
56.96570	15.6
57.03435	8.7
57.07061	1.5
58.82084	1.1
59.04978	1.3
61.02926	6.4
67.05486	2.7
68.00275	1.0
68.98270	1.2
69.03430	22.1
69.07054	2.3
69.45318	6.9
70.06596	1.9
71.04985	2.2
72.93794	1.5
73.02917	11.0
80.05023	5.7
81.03423	5.1
81.05790	2.7
81.07052	1.4
82.06575	15.0
83.04958	2.1
84.04510	1.4
84.08131	3.5
85.02415	1.8
85.02906	32.1
85.06528	1.3
85.10124	1.2
86.09654	1.0
87.04459	2.9
91.05449	1.4
91.42879	0.9
95.04950	3.0
95.06063	1.1
96.04471	2.1
97.02896	22.9
97.06536	1.7
98.03117	1.8
98.06044	1.8
98.21463	1.4
98.97591	14.5
99.04443	3.9
101.00874	6.4
103.02448	1.5
105.39513	0.9
107.03644	1.3
107.04959	1.8
108.04479	62.5
109.02884	3.9
109.05257	3.1
110.01284	2.2
110.97565	3.0
111.04431	2.1
111.05560	1.3
112.99172	1.3
113.00869	2.8
115.00685	3.3
115.02382	1.4
115.03905	2.5
116.98632	5.8
119.01906	11.9
119.04930	0.9
120.01983	1.1
121.02860	3.0
123.04426	1.0
124.03882	1.3
124.07579	1.7
125.07118	28.9
126.07902	3.2
127.02435	1.8
127.03926	7.9
128.02420	1.3
128.98598	3.5
129.03928	1.7
129.10254	2.5
131.01883	7.7
131.02699	1.0
131.03593	2.2
133.01761	2.0
133.03445	1.6
134.06029	12.0
134.99683	2.0
136.06160	1.3
136.93095	4.0
141.02205	1.1
143.00136	2.6
143.01900	4.2
143.05421	1.3
144.02199	1.1
145.01627	2.0
145.03423	8.7
145.04996	4.1
146.03606	4.4
146.05013	1.7
146.06122	1.1
146.99637	2.3
147.01425	1.7
147.03235	2.3
149.02328	12.4
150.76111	1.1
152.07076	26.4
154.94174	9.0
155.01884	2.9
155.04626	2.7
156.97488	3.5
157.03432	3.0
158.99664	3.7
159.03326	3.3
159.05026	1.7
161.01199	2.0
161.03065	5.6
161.04613	9.8
161.06682	2.5
163.04501	1.5
164.07024	1.1
166.55563	1.6
167.05644	2.7
168.03697	1.1
168.05391	3.0
169.03404	2.6
170.03625	5.3
170.05182	27.9
170.55357	2.5
170.99609	1.4
171.01491	1.4
171.03122	1.0
171.05043	4.6
172.05013	1.0
172.95242	14.1
173.01491	1.4
173.02902	7.0
173.06619	3.8
174.04449	1.1
174.98596	2.3
175.04428	2.2
176.03473	1.7
176.05174	4.5
176.06389	1.7
176.55681	1.0
176.98328	1.4
177.00711	3.2
177.04312	8.4
177.05891	2.8
181.55969	1.7
182.03409	1.2
182.81038	1.0
183.04916	1.3
185.02937	3.5
185.06570	4.1
187.02777	1.5
187.04457	2.5
188.04623	4.9
189.00732	1.5
189.02451	2.5
189.04312	1.1
189.06117	1.4
190.96280	4.9
191.03940	3.7
195.05318	3.0
197.00906	1.2
197.02925	2.4
199.04367	2.3
201.00735	1.3
203.03993	3.1
203.07773	1.5
213.06068	2.6
214.96307	5.3
215.00366	1.3
215.03969	2.6
215.07672	2.1
218.06393	1.9
219.01797	3.3
221.05084	4.3
227.01852	1.7
231.03496	3.4
231.07176	7.5
233.01421	1.5
237.02794	2.5
238.98024	1.5
239.06775	1.9
240.08659	37.6
245.05180	1.2
248.07294	3.1
252.06294	1.3
256.99091	2.4
257.02805	2.3
257.05194	3.9
257.11343	100.0
257.14899	5.0
257.18732	3.1
257.26804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1179
Annotation	Radicamine A
Peak:m/z	Relative Intensity
53.03940	0.6
55.01617	1.0
55.01870	15.3
55.05497	1.4
56.96554	3.0
57.03423	2.0
57.07063	0.9
61.02929	0.8
64.01588	0.8
64.53741	0.7
65.39113	0.7
67.05489	1.8
69.03423	1.9
69.07053	1.6
71.04981	0.9
71.61282	1.1
72.08150	0.9
73.02902	1.9
75.05583	1.0
76.58806	0.7
79.05463	1.2
81.03405	1.1
81.07072	1.7
83.04982	1.3
85.02888	2.0
86.09689	2.0
88.07632	1.0
91.05484	2.1
93.07024	3.4
94.06612	0.9
95.04954	0.8
97.02869	1.9
97.06523	3.0
98.97588	3.7
98.98473	1.7
105.07015	2.8
107.04919	1.5
107.08578	2.7
108.08106	1.9
110.09688	1.4
110.97549	0.8
114.93774	0.7
116.98625	2.2
119.04911	1.4
119.08557	3.3
120.67038	0.8
121.10110	1.2
122.06023	3.2
122.09663	2.4
124.07617	0.9
128.98560	0.9
129.07062	0.8
131.01891	0.8
131.04951	0.7
131.08620	1.1
132.08060	1.4
133.06464	1.7
136.07526	1.5
136.11191	5.4
138.09134	3.5
143.00151	1.0
143.11775	1.8
145.03458	1.7
146.09595	1.4
147.04440	1.1
147.08060	3.7
148.07475	1.0
149.08504	0.7
149.09602	3.1
150.09140	10.6
155.01923	1.2
158.99677	1.3
160.07619	2.0
161.01204	0.7
164.07076	3.1
164.10710	13.1
165.09178	0.7
166.08641	33.1
169.03433	1.0
169.06453	0.9
173.02968	0.8
174.09142	10.2
178.08629	32.2
180.86215	0.7
182.11801	1.9
184.05663	0.8
187.04507	1.5
192.10199	22.9
197.41527	0.7
202.08588	1.5
207.06421	0.7
210.11232	11.2
211.29639	0.7
215.07004	1.3
219.01691	1.3
220.09680	39.7
236.06075	1.1
237.02872	1.1
238.10730	100.0
239.10876	0.9
256.09393	1.3
256.11826	15.1
256.26306	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	256.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01862	1.3
55.05509	6.9
56.96556	1.7
57.03420	3.3
57.07073	1.7
62.06091	100.0
67.05177	1.0
67.05504	17.8
69.03426	1.5
69.07069	6.4
70.47885	3.1
70.48261	1.6
71.04989	1.4
79.05492	10.7
81.07059	24.9
83.04969	4.5
83.08617	5.0
85.06496	1.2
88.07635	2.4
91.05479	5.9
93.03343	1.2
93.07051	12.6
94.06558	1.2
95.04969	1.7
95.08610	7.6
97.02897	1.0
97.06522	4.0
98.06075	1.3
98.97579	1.5
99.08087	2.1
105.07003	3.5
107.08588	8.0
109.10127	1.5
111.08056	1.3
117.07008	3.0
119.01887	1.7
119.08606	1.3
121.10136	3.4
123.11710	2.0
131.08559	2.4
133.10106	3.9
135.11674	2.1
138.67540	1.0
145.03442	2.3
148.11183	1.3
149.13254	4.0
155.01886	2.7
157.10390	0.9
159.11734	2.5
169.03491	2.1
173.02977	2.0
177.12773	1.4
184.11317	1.2
186.11494	1.1
187.04529	1.0
200.09509	1.3
201.13802	1.2
217.70184	0.9
229.09579	1.1
229.13335	3.5
238.18016	77.8
239.16382	9.5
242.10533	1.8
256.09857	1.2
256.19128	7.9
256.26331	7.7
257.12946	7.6
265.94803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0968
Annotation	Murrayaline B
Peak:m/z	Relative Intensity
51.97159	0.6
53.03933	0.8
55.01868	5.3
57.03443	1.2
62.27476	0.6
65.03925	0.9
67.05498	1.9
68.34999	0.6
69.03421	1.7
69.50275	1.8
69.50690	3.0
75.00701	0.5
79.05464	1.1
79.95504	0.6
81.07047	2.8
83.04981	0.8
91.05461	2.6
92.04987	1.7
93.03396	0.6
93.07034	0.6
94.07353	0.6
95.04960	1.0
95.08540	0.8
98.97564	1.9
104.02258	0.5
105.07049	0.8
107.08582	0.9
109.06551	1.0
110.99786	0.6
115.05439	0.9
119.04981	3.2
120.04457	8.5
126.40285	0.6
128.04962	0.8
129.07008	1.7
130.06535	5.2
132.04446	4.2
142.06514	1.9
144.08073	1.5
146.02399	5.7
146.06000	5.3
148.03944	1.0
154.06531	2.3
156.04395	1.1
156.08084	1.4
158.06006	16.6
158.09624	1.2
162.05498	2.5
165.06993	13.7
166.06522	8.8
167.07306	4.3
168.08089	3.0
170.06007	4.7
172.07579	5.6
174.05501	48.4
175.05830	0.7
182.05984	0.8
182.09624	2.2
184.07588	8.5
186.05476	7.0
186.09149	17.8
188.07024	1.6
191.07321	1.5
192.08066	5.4
194.06068	1.5
195.06804	1.7
196.07536	1.4
198.05493	1.4
199.06244	2.8
200.07053	22.5
200.10713	4.8
202.08611	12.9
206.04512	2.1
210.09111	11.9
212.07062	51.5
213.07776	2.2
214.08620	8.4
217.11386	0.6
219.06743	0.6
220.07568	15.4
226.08580	0.9
228.10184	39.2
229.40327	0.7
230.08116	21.4
238.08612	30.6
256.09680	100.0
256.26382	1.4
257.09869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2318
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	2.5
55.05262	3.6
55.05511	62.5
56.96565	5.1
57.03437	5.7
57.07078	72.6
59.04988	3.8
65.10514	2.1
67.05507	36.7
69.03413	3.2
69.07069	100.0
69.48648	5.6
69.49062	16.6
70.45700	2.2
71.04977	10.4
71.08637	45.1
73.06554	2.6
79.05496	19.9
81.07063	58.5
83.04952	8.3
83.08620	74.2
85.06532	5.7
85.10178	21.3
91.05486	6.2
93.06523	4.2
93.07044	37.8
95.08611	44.0
97.06530	25.7
97.10172	45.9
98.21516	4.8
98.98475	19.8
101.05978	4.8
107.08603	37.1
109.10155	21.2
111.08080	16.3
111.11724	14.0
113.09648	5.7
115.07552	7.4
119.08563	3.1
121.10155	30.6
123.11705	15.1
125.09651	13.8
125.13220	5.2
129.09085	5.9
135.11729	33.5
135.12732	5.2
137.13231	4.2
139.10216	2.4
139.11186	18.7
143.08514	4.0
149.13249	23.1
153.12698	13.6
159.11685	10.9
163.14842	17.9
167.14294	4.8
171.11615	4.3
171.13719	2.9
177.16428	5.7
181.15849	7.4
185.13245	4.1
195.21147	2.5
199.11057	2.4
209.11665	5.1
219.21114	44.1
234.64091	3.2
237.22160	25.3
255.17552	6.3
255.20973	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	255.1955
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03939	2.3
55.01873	3.8
55.05515	16.1
56.96589	1.5
57.07075	22.6
59.04987	1.8
65.03945	1.5
67.05512	15.8
68.99786	2.6
69.03425	2.9
69.07065	9.5
70.20509	5.0
71.01363	1.8
71.04990	4.8
79.05495	14.6
81.03422	2.0
81.07058	38.3
83.04986	15.0
83.08637	10.5
85.06538	3.0
87.47705	1.1
91.05471	6.1
93.07047	30.4
95.04971	1.5
95.08611	37.4
97.02892	1.3
97.06532	6.6
97.10168	5.5
98.98470	59.9
99.04456	3.2
99.08098	5.0
100.98876	2.1
101.02388	2.0
105.07034	19.8
107.04941	4.8
107.08597	25.3
109.02884	5.7
109.06519	5.3
109.10164	25.7
111.04441	25.1
111.08078	14.7
111.11739	1.3
113.09630	3.0
117.07033	2.5
119.08566	12.3
119.09218	1.3
121.06506	1.2
121.10151	31.4
123.08060	6.9
123.11698	8.2
125.02398	1.5
125.05965	6.7
125.09649	2.6
127.07572	4.1
128.06178	1.2
131.08566	6.1
133.10109	5.5
135.04457	2.9
135.08052	4.0
135.11697	12.0
137.09612	5.9
139.11203	2.7
141.09131	1.4
143.08589	1.4
145.10115	16.1
147.11652	2.6
149.09633	3.8
149.13304	4.0
151.11208	4.3
153.05475	19.5
157.10118	1.7
159.11700	12.9
161.13245	22.9
163.03891	1.5
163.11214	8.7
167.65735	1.4
173.13309	1.6
175.07587	2.1
176.99004	2.0
177.12766	4.5
177.16379	3.6
179.14421	1.5
181.04980	4.6
181.12236	9.1
185.13260	1.5
191.10696	13.3
191.17953	21.0
201.16388	27.1
209.11740	100.0
209.19043	5.2
210.12074	1.7
213.16434	1.8
219.17462	18.7
237.11223	35.9
237.18491	66.9
255.08760	1.7
255.19534	6.0
255.21535	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	255.1591
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	1.7
55.05509	12.5
57.03422	2.0
57.07068	3.3
65.03953	1.2
67.05505	23.0
69.03414	2.7
69.07063	9.5
69.47584	7.1
71.04980	4.3
71.08656	1.4
74.31883	0.8
79.05482	7.0
81.03416	2.6
81.07060	30.2
83.04987	12.6
83.08617	3.2
85.02888	1.0
85.06538	3.5
91.05479	4.5
93.07055	17.1
95.04967	12.1
95.08606	100.0
97.06532	8.3
97.10168	10.1
98.97538	0.9
98.97807	1.0
98.98460	9.7
99.04451	3.4
99.08100	1.7
100.11253	2.4
101.06079	1.0
105.07034	6.9
107.04971	1.7
107.08587	5.9
109.06516	7.3
109.10151	2.7
111.04430	4.3
111.08078	1.8
113.06036	1.3
113.09647	2.0
117.07043	1.7
119.08592	3.4
119.64362	0.9
121.06507	6.1
121.10126	4.6
123.08050	9.1
125.05988	8.8
125.09631	1.4
127.03936	1.0
127.07550	1.3
129.05502	1.0
129.07014	1.5
131.08553	4.1
133.10115	3.9
135.08044	1.9
135.11707	2.0
139.07579	1.9
141.05469	3.9
141.09108	1.6
143.07019	7.9
143.08580	1.8
144.09288	1.1
145.10127	4.0
147.11676	2.4
149.13254	6.7
150.57701	0.8
154.12169	1.2
155.08546	1.4
157.08531	1.0
157.10115	3.2
159.06604	1.1
159.08047	0.9
159.10237	2.1
159.11697	9.7
163.14809	1.6
171.11720	2.1
171.14949	1.7
173.13237	6.0
177.12746	15.2
181.10141	1.5
183.11624	2.4
191.14326	9.2
195.11920	1.9
195.13821	4.3
197.13327	1.1
201.12755	3.5
209.15456	1.4
213.14812	1.0
215.07846	0.9
219.13811	6.9
237.14806	31.9
237.18475	1.3
255.06357	1.3
255.15860	4.5
255.17838	2.1
255.21074	4.7
255.23305	1.0
256.09500	1.6
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 D
Peak:m/z	Relative Intensity
51.37032	3.1
55.05501	23.8
56.96552	10.3
57.07076	16.1
59.17656	2.7
65.87737	3.0
67.05202	3.4
67.05508	31.1
69.07070	21.4
69.62608	21.5
71.04989	10.6
71.08630	5.2
79.05486	31.8
81.03409	4.5
81.07059	62.1
81.81595	3.2
83.04967	14.4
83.08628	19.5
85.06538	5.8
91.05476	21.3
93.07048	48.3
95.08611	61.0
97.06530	33.7
97.10163	10.3
98.97549	6.4
98.98467	78.0
99.04444	3.1
99.08095	3.8
103.43953	3.1
105.07032	22.6
107.08607	30.3
109.06522	5.7
109.10157	20.8
111.04437	7.6
111.08073	11.8
117.07030	7.2
118.21200	3.2
119.08588	29.9
121.10150	31.9
123.08002	5.6
123.11703	4.4
125.09698	3.7
131.08577	15.6
133.10153	16.4
135.07999	3.3
135.11705	28.2
137.09602	11.6
139.11130	3.1
143.08571	6.3
145.10124	25.8
147.11610	2.9
149.13261	6.0
157.10144	5.5
159.11681	18.0
161.13251	27.7
171.11739	7.1
173.13246	7.6
181.12094	3.4
185.13226	5.4
199.14813	4.7
201.16377	48.4
209.11691	15.2
219.17259	7.3
219.21149	3.4
237.11139	6.1
237.18509	100.0
244.23318	3.0
255.17435	8.0
255.21442	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	1.7
55.05509	12.5
57.03422	2.0
57.07068	3.3
65.03953	1.2
67.05505	23.0
69.03414	2.7
69.07063	9.5
69.47584	7.1
71.04980	4.3
71.08656	1.4
74.31883	0.8
79.05482	7.0
81.03416	2.6
81.07060	30.2
83.04987	12.6
83.08617	3.2
85.02888	1.0
85.06538	3.5
91.05479	4.5
93.07055	17.1
95.04967	12.1
95.08606	100.0
97.06532	8.3
97.10168	10.1
98.97538	0.9
98.97807	1.0
98.98460	9.7
99.04451	3.4
99.08100	1.7
100.11253	2.4
101.06079	1.0
105.07034	6.9
107.04971	1.7
107.08587	5.9
109.06516	7.3
109.10151	2.7
111.04430	4.3
111.08078	1.8
113.06036	1.3
113.09647	2.0
117.07043	1.7
119.08592	3.4
119.64362	0.9
121.06507	6.1
121.10126	4.6
123.08050	9.1
125.05988	8.8
125.09631	1.4
127.03936	1.0
127.07550	1.3
129.05502	1.0
129.07014	1.5
131.08553	4.1
133.10115	3.9
135.08044	1.9
135.11707	2.0
139.07579	1.9
141.05469	3.9
141.09108	1.6
143.07019	7.9
143.08580	1.8
144.09288	1.1
145.10127	4.0
147.11676	2.4
149.13254	6.7
150.57701	0.8
154.12169	1.2
155.08546	1.4
157.08531	1.0
157.10115	3.2
159.06604	1.1
159.08047	0.9
159.10237	2.1
159.11697	9.7
163.14809	1.6
171.11720	2.1
171.14949	1.7
173.13237	6.0
177.12746	15.2
181.10141	1.5
183.11624	2.4
191.14326	9.2
195.11920	1.9
195.13821	4.3
197.13327	1.1
201.12755	3.5
209.15456	1.4
213.14812	1.0
215.07846	0.9
219.13811	6.9
237.14806	31.9
237.18475	1.3
255.06357	1.3
255.15860	4.5
255.17838	2.1
255.21074	4.7
255.23305	1.0
256.09500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79132	30.7
55.91935	28.8
63.30233	32.6
67.35880	33.7
71.50925	58.7
108.97350	29.6
123.05504	47.5
170.99146	32.0
213.00197	54.7
236.94231	38.4
255.00813	59.0
255.06358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.1
57.07068	11.2
61.02951	14.9
65.25962	11.3
67.05525	13.5
70.13825	39.3
73.02904	9.8
80.76887	10.0
85.02888	18.5
97.02930	14.0
98.98468	100.0
119.01830	13.3
123.05557	50.7
124.03962	29.0
139.09743	12.8
156.97525	21.0
161.02913	12.2
174.98553	12.2
182.99063	23.7
185.02937	10.9
201.00084	12.4
223.26613	9.9
255.06358	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	255.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01863	5.5
55.05513	19.1
57.03441	10.5
57.07061	3.2
65.03933	2.6
67.05505	17.2
69.03432	30.3
69.07073	10.6
71.01341	2.4
71.05000	9.6
71.08641	2.0
71.61443	2.2
73.02921	9.7
79.05512	13.7
79.07411	1.5
80.59126	1.5
81.03419	21.1
81.07054	14.9
83.04983	100.0
83.08613	5.3
85.02910	12.0
85.06554	2.9
87.04469	5.1
91.05486	6.0
93.07058	12.7
95.04956	10.5
95.08603	14.9
97.02902	9.7
97.06530	4.1
97.10176	3.5
98.98462	12.4
99.04463	16.7
101.06000	3.0
101.95952	1.6
102.74404	1.7
105.07043	6.1
107.04983	2.7
107.08597	12.9
109.02866	13.7
109.06523	1.5
109.10168	5.1
110.61417	1.4
111.04446	75.7
111.08063	1.7
113.02396	2.2
113.06017	4.1
117.07030	3.1
119.08609	5.1
121.06512	2.4
121.10120	7.8
123.04445	4.1
123.11739	2.7
125.02373	1.6
127.03935	15.2
129.05513	4.0
129.06990	3.2
131.08522	2.3
133.10136	3.0
135.08080	1.7
135.11705	12.5
139.03842	1.5
141.05397	1.9
143.08549	5.9
145.05000	1.5
145.10110	4.2
147.11676	2.4
149.05875	1.7
149.13275	3.4
151.03960	3.2
155.08398	1.7
157.10165	6.0
159.11717	6.1
161.13260	2.8
165.05493	2.3
168.73294	1.6
169.10146	2.4
171.11693	5.1
183.11784	2.0
185.13269	7.2
197.13295	2.8
199.11107	1.8
199.14877	7.4
209.08104	2.5
211.14929	1.8
212.15593	4.4
213.16365	6.0
219.06580	1.6
225.07362	1.8
237.07544	1.6
237.14767	2.8
237.18622	1.7
255.08557	15.0
255.13585	2.9
255.17520	5.1
255.21091	36.0
255.23564	2.8
259.46753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03930	1.6
55.01857	2.2
55.05512	38.9
57.03427	3.2
57.07072	8.8
60.89725	1.0
64.15992	1.1
67.05504	42.3
69.03430	1.5
69.07068	51.8
69.26234	6.5
69.26667	5.2
71.04984	4.7
71.08651	2.6
73.06538	1.6
77.43909	1.2
79.05493	19.2
81.07058	60.0
83.04975	4.7
83.08618	38.2
85.06547	8.6
85.10152	1.7
91.05481	14.3
93.07044	25.1
95.04976	3.2
95.08610	47.7
97.02898	1.3
97.06545	7.6
97.10168	25.4
98.20747	2.1
98.98470	100.0
99.08081	4.7
105.07027	15.3
107.08587	16.4
109.06506	2.7
109.10157	25.5
111.08085	7.7
111.11714	7.2
113.09617	1.7
115.07616	1.3
116.99541	2.3
119.08585	17.1
121.10147	24.9
123.08064	4.9
123.11697	11.4
125.09644	5.7
125.13256	2.6
131.08568	2.7
133.10152	15.2
135.11697	23.1
137.09618	7.3
137.13249	6.7
139.11220	6.7
141.06908	1.2
145.10091	2.2
147.11694	14.0
149.13257	4.1
151.11165	5.0
151.14818	4.7
153.12740	2.8
155.08565	3.0
159.11734	2.8
161.13271	9.6
163.14777	1.3
165.12758	5.1
169.10120	1.4
169.12276	2.0
171.11656	1.6
174.99210	3.3
175.14810	4.8
176.98988	1.8
179.14307	3.3
183.11696	5.0
189.16452	2.0
191.17868	2.6
193.19482	4.1
195.11713	1.5
197.13222	3.0
211.14815	1.9
217.19514	22.7
235.13228	1.7
235.16917	4.0
235.20561	19.4
238.17358	1.3
246.14091	1.1
248.36005	1.3
253.08717	2.1
253.19456	13.1
253.21703	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	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.0
56.96567	59.9
59.77894	4.4
61.02915	6.0
67.03551	3.9
69.03425	8.0
71.01349	9.5
71.04980	13.9
71.60860	4.6
73.02905	4.6
73.99546	3.7
75.04495	21.2
81.07047	6.9
84.96014	6.3
85.02872	6.8
86.09721	4.9
95.08639	4.5
97.02926	4.9
98.97585	12.8
98.98464	78.7
103.03924	20.5
105.07037	4.6
107.04919	4.4
112.99133	4.1
115.00676	4.3
116.98627	6.5
120.08115	8.6
124.99122	19.2
128.98576	6.3
134.53841	4.4
143.00166	39.0
148.50972	4.3
148.66225	4.6
157.01706	5.2
159.02864	66.1
161.01227	39.7
163.03893	7.0
170.91397	6.4
170.99620	4.7
179.02251	5.9
182.05226	5.1
184.66177	4.8
185.01202	8.5
188.92410	26.7
189.00697	9.2
195.75104	4.1
203.02333	8.6
208.09660	7.0
208.13292	9.2
211.94170	6.1
213.00673	5.5
218.08942	4.9
219.05005	100.0
230.93515	9.2
231.01833	17.9
249.02902	55.8
254.06306	4.9
254.10280	11.4
254.13989	6.2
267.03891	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	253.1798
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
53.03928	1.9
55.05497	4.7
56.96572	1.6
57.07068	3.9
67.05501	10.5
69.03441	6.9
69.03766	1.5
69.07067	10.3
71.04987	2.1
71.61218	2.1
79.05499	12.9
81.07059	45.8
83.05000	1.8
83.08608	2.0
84.24667	1.4
85.06536	5.6
89.33667	1.3
91.05473	12.1
93.07054	20.9
95.02319	1.3
95.04964	2.3
95.08604	12.3
97.06540	8.7
98.97615	4.2
98.98466	58.6
99.08081	2.1
105.07031	14.5
107.04960	31.2
107.08597	13.6
109.06506	3.8
109.10162	6.5
111.08088	33.9
116.98622	2.0
117.07001	2.1
119.08590	18.2
121.06506	6.1
121.10138	13.0
123.08069	4.8
123.11723	2.8
127.07563	1.8
128.06129	1.5
128.98627	1.4
131.08546	4.4
133.10133	10.7
135.08058	9.3
135.11700	4.9
137.05930	1.7
137.09616	2.0
139.07491	2.5
139.11168	4.6
142.07820	1.5
143.08559	4.1
145.10109	4.3
147.08049	7.7
147.11685	11.0
149.09596	3.1
149.13219	1.5
151.11205	3.9
157.10141	5.8
159.11681	8.5
161.09613	6.0
161.13242	4.1
163.11258	1.7
165.07024	1.9
165.09114	20.2
167.08485	1.5
171.11716	3.3
173.13332	1.8
174.99321	1.5
175.11166	5.7
175.14812	4.1
177.12749	67.5
179.08401	1.9
187.14832	3.6
189.12727	11.5
192.09720	1.6
197.11592	1.5
199.14766	2.4
204.15250	1.7
205.15892	10.8
207.13744	1.8
211.09761	1.6
217.12317	2.5
217.15872	11.1
235.13210	2.9
235.16928	100.0
252.59708	1.7
253.08476	2.7
253.12367	6.5
253.17928	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	253.1799
Annotation	Isosativenetriol
Peak:m/z	Relative Intensity
51.58267	0.6
53.03940	1.6
55.01876	1.3
55.05516	4.7
56.96577	0.9
57.03426	0.9
57.07064	2.0
67.05505	8.5
69.03441	4.8
69.07073	9.0
69.36926	6.3
71.04983	2.0
79.05495	9.1
81.07058	34.3
83.04997	1.5
83.08611	2.5
85.06553	1.7
91.05492	7.6
93.07047	15.5
95.04989	1.9
95.08609	8.7
97.06527	8.0
98.98466	29.5
105.07034	15.9
106.07382	1.4
107.04959	26.6
107.08597	11.5
109.06527	4.9
109.10159	11.5
111.04468	1.0
111.08082	30.8
111.08855	1.6
117.07024	1.9
119.08581	16.7
121.06505	5.3
121.10137	12.0
123.08086	3.6
123.11712	1.6
125.09696	1.4
129.07030	1.8
131.08572	5.1
133.06479	1.0
133.10133	12.6
134.06802	0.9
135.08023	6.5
135.11665	3.5
137.09607	2.1
139.11154	2.2
142.07803	0.8
143.08580	2.5
145.10089	4.0
147.08075	7.4
147.11691	8.4
149.09630	2.2
149.13264	1.4
151.11185	2.2
156.09306	0.8
157.10127	3.5
159.11722	5.8
161.08328	1.0
161.09596	5.3
161.13245	1.6
162.06210	1.3
163.11227	2.5
165.09122	20.9
171.11638	1.6
173.13367	1.6
175.11169	3.7
175.14780	4.6
177.12747	66.7
178.13052	0.9
187.14799	1.8
189.12769	8.6
189.16454	2.4
192.09685	1.7
194.08966	2.4
199.14832	2.6
204.15118	2.7
205.15860	9.3
215.01070	0.9
217.12357	1.3
217.15872	12.1
220.09209	1.0
220.14699	1.2
235.16927	100.0
236.17323	1.4
253.12392	3.4
253.17935	24.4
253.21823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Toxin FS 2
Peak:m/z	Relative Intensity
53.03924	1.5
55.01881	2.2
55.05508	7.4
56.96565	1.5
57.03425	2.9
57.07073	4.6
58.20113	0.8
59.05000	1.3
61.02911	1.1
62.29654	0.8
65.03922	1.0
67.05505	13.1
69.03423	4.4
69.07071	10.5
71.04973	3.4
71.61109	1.2
71.61478	1.0
73.02910	1.2
79.05486	10.3
81.03421	1.6
81.07059	26.5
83.04976	4.4
83.08617	4.3
85.02896	1.5
85.06542	7.7
91.05480	10.6
93.07046	16.3
95.04964	3.6
95.08604	21.8
97.02879	1.2
97.06540	11.9
97.10177	2.4
98.98466	100.0
99.04451	1.5
99.08095	2.7
101.05980	1.3
105.07030	18.3
106.07372	2.1
107.04932	1.3
107.08587	14.8
109.06516	3.9
109.10155	12.1
111.08084	33.0
113.05913	1.0
115.05470	1.1
116.99522	2.1
117.06993	2.6
119.08580	14.6
121.06509	5.9
121.10151	10.0
123.04451	1.0
123.08067	5.4
123.11703	2.7
125.05968	1.0
125.09641	2.5
127.07538	1.3
128.06165	1.6
129.07065	2.1
131.08565	6.5
133.06487	1.8
133.10143	15.5
135.08041	6.0
135.11708	4.9
137.06023	1.4
137.09621	3.3
139.07571	3.2
139.11177	1.6
142.07800	2.2
143.08620	4.9
144.09392	1.1
145.10138	9.1
147.04324	1.0
147.08040	2.8
147.11667	9.0
149.09578	1.2
149.13275	3.0
151.07558	2.1
151.11159	2.0
155.08568	2.2
157.10133	8.0
158.10916	0.9
159.11699	7.1
161.07893	1.2
161.09631	3.6
161.13261	3.8
162.06317	1.8
162.10382	1.8
163.11157	4.9
163.14806	1.3
165.06947	1.9
165.09142	1.0
165.12769	1.7
165.93538	1.0
169.10129	1.8
171.11682	4.2
173.13263	3.1
174.99232	2.5
175.11215	7.0
175.14832	4.7
176.98946	1.8
177.12744	33.1
179.08551	0.9
179.10739	1.4
181.10091	1.6
183.11700	2.7
187.14864	2.0
189.12775	18.4
189.16379	4.2
193.08574	1.0
193.12212	1.5
194.08977	2.1
197.09724	1.3
197.11597	1.4
197.13298	2.0
199.11217	2.2
199.14861	5.7
202.13582	1.2
204.15137	3.7
205.15869	6.6
207.13818	3.2
209.13245	2.1
211.14905	1.8
217.12328	4.5
217.15891	11.0
220.14546	2.0
221.05916	1.3
235.13499	5.1
235.16924	84.5
253.08543	3.3
253.12491	4.0
253.14348	3.6
253.17786	22.1
253.21878	1.2
267.36935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Elongatol E
Peak:m/z	Relative Intensity
55.01919	1.7
55.05572	3.4
67.05579	5.9
69.03506	4.0
69.07141	7.2
69.43247	4.1
69.43672	2.1
71.05053	1.2
79.05579	7.7
81.06629	1.9
81.07055	33.3
83.05047	1.6
83.08643	1.4
85.06632	3.2
91.05478	6.6
93.07040	14.6
95.05064	2.3
95.08605	6.5
96.12418	0.7
97.02982	0.7
97.06528	8.6
98.21484	1.5
98.97646	1.6
98.97819	1.7
98.98464	27.3
99.04514	1.2
99.08131	1.0
105.07028	13.0
107.04948	24.4
107.08591	12.4
109.06525	3.8
109.10157	5.7
111.08080	26.7
117.07086	2.0
119.08574	13.4
121.06511	6.4
121.10137	9.9
123.08098	3.6
123.11722	1.0
125.09701	1.0
129.07071	1.0
131.07793	0.7
131.08664	3.2
133.06551	0.9
133.10133	10.6
135.08041	8.4
135.11775	2.5
137.09697	2.2
139.07564	1.2
139.11166	3.5
142.07840	1.7
143.08656	1.6
145.06677	0.8
145.10135	3.8
147.08031	7.7
147.11674	9.2
149.09758	1.5
149.13303	1.8
151.07620	0.7
151.11240	3.3
156.09406	0.9
157.10153	4.1
159.11676	7.5
161.09592	5.3
161.13356	2.1
163.11212	2.5
163.14807	1.0
165.09114	16.2
170.99759	0.8
171.11725	2.1
173.13333	1.5
175.11171	5.4
175.14813	3.6
176.03455	0.8
177.12743	60.5
187.14859	2.3
189.12711	9.6
189.16446	2.4
194.08997	1.1
199.11191	1.3
199.14871	2.5
204.15070	3.5
205.15884	9.2
207.13768	1.4
211.45055	0.7
217.12265	2.3
217.15880	7.8
220.14563	1.3
225.09016	0.9
235.13541	4.7
235.16914	100.0
237.03073	0.7
253.14255	1.3
253.17952	24.2
263.05225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.96819	1.3
53.03936	4.3
54.72196	1.2
55.01873	9.7
55.05518	9.3
67.05510	14.7
69.03419	6.0
69.07070	9.7
69.52480	8.0
69.52888	2.6
71.05000	9.4
77.03899	1.6
79.05486	32.1
81.06326	1.6
81.07056	58.2
83.04991	6.6
83.08624	7.0
85.06554	7.8
91.05477	22.1
93.07044	63.0
95.04975	15.9
95.08605	22.6
95.18580	1.2
97.06530	15.4
98.98471	19.3
99.04461	14.1
101.05997	2.4
105.06367	2.5
105.07029	34.5
107.04929	5.7
107.08596	29.9
109.05774	2.0
109.06522	36.1
109.10136	4.7
111.04447	1.8
111.08078	8.1
113.05994	4.0
115.05436	1.7
117.06998	3.8
118.39054	1.3
119.04943	3.5
119.08580	22.1
121.06508	83.1
121.10131	4.1
123.04435	3.3
123.08064	5.8
123.11703	1.9
125.05972	4.2
127.07571	14.7
129.06973	4.2
131.08597	7.5
133.06474	4.4
133.10117	17.7
135.04391	4.8
135.08061	17.3
135.11652	2.2
135.85696	1.2
137.05945	5.5
139.07544	33.7
141.07043	1.2
142.07764	8.3
143.08568	11.3
143.83476	1.5
145.06430	1.6
145.10118	10.8
147.08026	6.8
147.11690	37.5
151.07520	1.9
155.08546	3.0
156.09358	5.7
157.10136	23.9
159.08038	2.6
160.08757	1.9
161.06024	2.3
161.09549	2.8
161.13239	11.0
162.54218	1.3
165.06996	3.2
165.12770	9.3
166.07797	2.1
168.76775	1.4
171.08037	2.0
171.11711	23.7
173.09598	6.8
173.13263	3.4
175.11194	32.4
177.12698	2.0
181.10101	6.2
184.08794	3.1
189.12753	29.1
193.12270	16.7
199.11186	31.4
207.13814	14.8
211.13300	1.6
217.12244	100.0
235.13293	82.7
253.11981	2.8
253.14339	29.1
253.21703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03954	2.0
55.01871	11.8
55.05505	12.9
56.96564	2.0
57.07087	3.9
59.04989	1.5
61.74537	1.5
67.05494	16.4
69.03425	3.6
69.07067	14.8
69.36980	15.2
71.04978	7.8
72.04499	2.3
75.61917	1.6
75.89790	1.6
77.13583	1.6
79.05482	14.4
81.07057	50.2
83.04970	6.4
83.08627	12.0
84.04510	7.8
85.06541	7.3
87.98296	1.6
91.05460	13.1
93.07050	27.6
95.04964	5.6
95.08605	28.2
97.02863	1.7
97.06550	8.9
97.10150	1.9
98.21442	2.8
98.97607	4.7
98.98465	72.2
99.04469	3.5
100.11258	18.2
105.07024	41.7
107.04969	5.0
107.08595	29.9
109.06507	16.0
109.10139	11.0
111.08086	9.5
113.06008	1.8
116.56034	1.5
117.07024	1.7
117.72362	1.7
119.04967	2.1
119.08583	24.4
121.06503	15.5
121.10139	25.8
123.08068	12.3
123.11710	38.5
125.05993	3.1
127.03975	1.8
127.07557	6.9
131.08549	3.9
133.10144	9.0
135.08090	4.3
135.11653	3.8
137.05986	2.4
137.09616	4.3
137.13214	1.9
139.07539	13.2
141.05457	2.3
141.07080	1.9
143.08530	2.7
145.10100	3.8
147.08032	2.2
147.11685	89.6
149.09615	2.1
149.13235	3.8
154.12263	12.5
157.10135	6.0
161.09671	2.4
161.13232	3.2
165.09061	2.7
165.12758	100.0
171.11684	4.8
171.14922	22.0
173.13326	2.2
175.11195	8.6
175.14839	2.3
177.12767	11.3
181.40469	1.8
182.15517	2.3
183.13760	15.8
189.12698	9.5
191.14297	1.9
193.12274	14.1
199.11163	3.4
207.13777	6.4
217.12300	12.5
217.15833	2.2
229.14343	17.0
235.13274	14.5
235.16888	15.6
253.08633	3.7
253.14491	8.2
253.19092	17.6
253.21753	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.43470	1.5
53.03947	3.2
55.01859	3.3
55.05506	6.6
67.05505	13.0
69.03417	3.5
69.07075	3.4
69.47251	2.4
69.47660	8.4
71.04995	8.1
74.50465	1.8
77.03922	1.6
79.05495	25.4
81.07059	45.8
83.04978	4.6
83.08625	2.3
85.06545	2.7
91.05479	15.6
93.07043	45.0
95.04969	14.3
95.08617	18.1
96.01556	1.5
97.02879	1.7
97.06530	14.5
98.20771	3.6
98.98480	5.1
99.04456	6.3
102.42080	1.7
103.05479	1.6
105.07033	26.4
107.04950	5.7
107.08595	20.1
109.06519	31.2
109.10155	4.8
111.08092	3.3
113.06008	3.4
117.07018	3.0
119.04941	2.4
119.08573	18.4
121.06507	100.0
121.10123	3.4
123.04436	4.2
123.08050	5.8
125.06019	2.2
127.07565	10.1
129.07001	6.5
131.08589	4.1
133.06519	4.0
133.10135	9.3
135.04443	6.7
135.08049	11.2
137.06001	2.9
139.07544	19.2
141.05420	1.7
142.07753	4.0
143.07059	1.9
143.08559	9.2
145.10130	5.9
147.08038	5.8
147.11684	28.5
151.07539	1.6
155.08484	1.8
156.09352	3.7
157.06523	1.6
157.08817	2.3
157.10126	16.2
159.08060	2.4
161.05957	2.8
161.09628	2.2
161.13240	13.1
165.12778	4.5
166.07735	3.6
171.11717	16.7
173.09572	3.1
175.11185	16.8
181.10062	8.3
184.08905	2.1
189.12740	25.1
191.10765	2.3
191.14201	1.7
193.12238	16.1
199.11206	38.3
207.13852	11.6
217.12244	84.0
235.13300	41.9
249.02757	2.0
252.59482	2.5
253.14368	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03949	3.9
55.01862	5.7
55.05507	8.4
57.07070	1.4
61.85037	1.3
61.96316	1.3
65.03954	1.4
67.05505	14.4
69.03417	4.5
69.07063	9.0
69.33984	10.4
69.34314	1.2
71.04986	10.2
71.22343	1.2
77.03926	1.2
79.05489	26.7
81.07053	51.6
82.38313	1.1
83.04980	5.7
83.08621	3.0
85.02894	2.3
85.06547	4.8
91.05475	17.4
93.07039	40.4
95.04404	1.9
95.04967	13.3
95.08598	19.8
97.06526	18.5
98.21452	2.2
98.98459	57.3
99.04447	8.0
100.98874	1.4
105.07027	25.6
107.04962	6.8
107.08592	18.7
109.06513	32.6
109.10151	5.2
111.08085	5.0
113.05996	2.9
115.05448	2.0
117.07024	3.9
119.04955	2.0
119.08575	17.7
121.06502	100.0
121.10144	3.9
123.04414	4.9
123.08049	6.9
123.11670	1.4
123.91743	1.1
125.05965	4.2
127.07557	10.7
127.11140	1.3
128.06247	2.1
129.07016	5.1
131.08569	4.1
133.06506	4.8
133.10143	8.5
135.04411	6.5
135.08034	11.7
135.11729	1.9
137.05983	4.7
137.13216	1.2
139.07536	20.3
141.05417	2.0
141.06943	1.6
142.07768	6.1
143.07011	2.1
143.08554	10.2
145.06570	1.3
145.10103	6.9
147.08063	6.6
147.11688	26.0
151.07512	2.6
155.08487	2.2
156.09355	3.8
157.06514	2.8
157.08749	2.4
157.10078	16.0
159.08058	2.1
160.08803	2.0
161.05945	2.5
161.09642	3.2
161.13237	12.0
165.07010	3.4
165.12756	4.7
166.07768	4.6
169.06413	1.4
171.08131	1.1
171.11679	15.2
173.09624	2.1
175.07587	1.5
175.11174	17.7
181.10146	7.7
184.08858	3.0
189.12718	24.2
191.10670	1.2
193.10347	2.4
193.12225	15.7
199.11179	32.6
207.13765	9.2
210.06757	1.6
211.13315	1.6
217.12230	83.5
221.06065	1.8
221.09639	2.8
225.09172	1.2
235.13277	32.8
238.06387	2.0
253.08487	5.2
253.12178	5.0
253.14317	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01876	6.7
55.02091	1.0
55.05508	13.2
56.96573	2.2
57.03424	1.2
57.07068	2.9
59.83171	1.1
67.05505	21.1
68.99776	3.5
69.03425	3.8
69.06760	1.3
69.07068	14.3
69.61848	5.3
69.62271	2.5
71.04980	4.8
79.05491	15.2
79.59571	1.0
79.78890	1.2
81.03434	1.5
81.07058	51.9
83.04970	7.4
83.08627	8.6
84.04498	3.3
85.02888	1.6
85.06556	7.2
91.05476	13.8
93.07046	22.5
95.04961	5.9
95.08611	25.8
97.02904	1.2
97.06533	9.3
97.10179	1.8
98.98468	51.0
99.04433	3.5
99.08085	1.7
100.11253	6.7
101.05996	2.3
103.60213	1.1
105.07034	38.8
107.04954	4.5
107.08598	33.5
109.06527	18.0
109.10164	9.4
110.97580	1.0
111.04427	1.3
111.08090	7.3
113.06008	1.8
117.07011	2.6
118.85505	1.1
119.07787	1.4
119.08590	27.0
121.06508	11.6
121.10151	28.1
123.08082	11.5
123.11708	38.9
125.06007	2.6
127.07583	6.6
129.06935	1.5
131.08556	3.1
133.06508	1.6
133.10143	6.4
135.08052	4.3
135.11697	3.5
137.05952	3.4
137.09590	4.0
137.13193	2.8
139.07512	12.9
142.07835	1.2
143.08569	3.8
145.10129	4.4
147.08089	2.8
147.11688	97.5
149.09604	2.2
149.13243	4.8
154.12247	3.6
157.08780	1.3
157.10106	4.4
159.11668	2.6
161.05998	1.5
161.09558	2.2
161.13286	4.1
163.66817	1.1
165.12761	100.0
171.11658	5.3
171.15002	6.5
173.09636	1.4
175.11223	7.6
177.12704	8.5
183.13805	14.3
187.07945	1.2
189.12766	7.8
189.16391	1.5
191.14244	1.8
193.12247	16.1
199.11162	4.9
199.14813	1.7
207.13860	5.8
217.12263	10.0
217.15807	1.2
217.19429	2.1
229.14378	17.9
235.13309	13.1
235.16888	11.6
253.08560	2.6
253.14197	6.8
253.19099	6.5
253.21591	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	252.1231
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01869	1.6
55.05489	0.6
56.05037	0.6
56.93953	0.6
60.04524	1.2
67.05515	0.6
67.35242	0.5
68.30214	0.6
68.62025	0.6
71.19917	1.1
77.14413	0.6
79.05502	3.7
81.07056	1.1
82.54713	0.7
84.21122	0.6
87.68089	0.6
91.05475	2.1
95.04958	0.7
95.08605	1.0
98.98498	5.9
103.05470	3.7
103.44973	0.7
104.06229	1.8
105.07033	35.0
115.05457	7.1
118.04163	2.4
131.04939	1.3
132.05695	0.6
132.08075	1.4
133.06500	30.9
137.06056	0.7
143.04993	1.0
143.06041	2.5
146.05992	0.8
149.05989	1.2
160.05507	1.0
160.07582	26.9
161.05992	42.4
167.07007	3.4
174.05437	0.8
178.06207	1.1
178.08734	0.7
188.07095	3.8
191.09418	25.8
193.08612	47.7
206.08121	9.7
208.09692	3.6
210.11270	9.0
219.08945	7.4
220.09656	2.2
222.07648	2.5
222.32164	0.7
229.54988	0.8
236.09177	1.5
237.09938	10.3
252.12323	100.0
253.12627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05508	1.2
56.96558	2.6
57.03427	0.8
57.07076	1.4
61.02919	0.9
65.39288	0.6
67.05503	1.8
69.03436	3.5
69.07079	1.3
71.23829	1.3
73.06560	11.4
79.05482	0.9
81.03403	1.0
81.07054	1.8
83.08604	0.7
84.08130	0.6
85.02898	6.9
86.96950	0.6
87.04440	0.6
89.06036	0.7
89.88409	0.6
91.05482	1.3
95.08603	1.7
97.02904	2.0
98.98470	100.0
100.98885	1.0
105.07030	0.8
107.04950	1.3
109.02886	0.9
109.10131	1.0
116.98629	0.9
116.99497	1.1
120.08108	0.9
121.06475	0.6
123.04414	1.0
127.03938	1.4
135.08012	0.7
136.93153	0.7
137.05966	1.1
138.53255	0.6
139.06346	0.8
141.05490	1.1
143.00172	0.7
145.04971	0.8
151.07558	0.8
154.94194	1.3
165.05530	0.7
170.91429	0.8
172.95282	2.5
174.99248	1.7
176.98941	1.8
177.05453	1.0
188.92557	2.3
190.09811	0.7
190.96353	0.9
197.11829	2.0
205.08743	0.6
209.01079	0.7
210.21544	0.6
227.02330	3.4
228.80046	0.6
241.00040	0.7
253.06537	2.1
256.02545	1.9
271.04974	2.6
274.03641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01875	2.0
55.05510	5.8
56.96568	3.4
57.03426	4.0
57.07062	1.5
61.02922	4.1
63.11726	1.5
67.46317	1.2
69.03425	9.5
69.07066	1.5
70.83820	3.0
71.04972	1.3
73.02918	3.1
73.06562	22.0
77.02525	1.4
79.16517	1.5
81.03423	3.9
81.07060	3.3
83.04980	1.6
84.08129	1.8
85.02913	41.7
91.01508	1.5
91.03967	2.1
93.07053	1.5
95.08587	2.2
97.02890	10.2
98.97607	5.7
98.98471	100.0
99.04484	1.6
103.05470	5.4
107.04965	4.8
109.02895	4.3
110.97609	1.7
112.08729	1.4
116.98666	2.6
116.99553	1.4
118.16295	1.4
119.04948	1.5
120.08112	81.8
127.03933	7.4
133.70340	1.6
136.93167	2.5
137.05974	3.7
145.04930	6.9
150.05565	1.8
154.94139	1.8
155.04672	5.3
158.99684	1.9
164.05072	1.5
172.95314	3.2
176.78363	1.5
188.92458	2.4
190.22917	1.3
197.11768	3.1
219.01704	2.0
237.02780	1.4
253.11888	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40312	0.5
56.96565	1.6
61.93181	0.5
67.05515	1.0
69.03430	0.8
70.02943	0.5
71.04978	0.9
71.21756	1.1
74.03098	0.5
79.05497	1.6
81.07060	1.1
83.97086	0.5
87.00836	2.7
91.05488	3.7
93.07063	4.4
94.07385	0.6
95.04990	0.8
95.15394	0.5
97.02885	0.7
97.06509	0.5
98.97599	2.0
98.98460	10.1
103.05467	7.5
104.32229	0.6
105.07010	0.9
106.06524	0.7
107.04955	1.9
107.08607	1.9
109.02890	0.6
109.06528	0.7
110.97552	1.6
115.31627	0.5
116.98626	1.2
118.06544	11.0
119.01897	0.7
120.08106	100.0
121.06496	0.8
121.10142	0.8
128.04970	1.8
128.98595	0.9
134.10457	0.6
135.11705	1.6
136.06201	3.1
143.00142	0.6
145.10168	0.6
146.06009	17.4
146.10478	0.9
152.06718	0.5
160.11957	0.6
164.07085	0.8
166.08591	2.5
170.99698	1.3
178.13075	1.1
178.29767	0.6
179.69153	0.5
185.03922	0.7
188.07060	15.6
188.11530	0.6
189.00819	0.8
192.06601	1.2
206.08127	59.3
207.08337	0.6
234.07829	1.0
234.15579	0.9
249.02809	1.3
252.08807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.93992	0.5
53.03940	1.1
55.01879	2.9
55.05254	1.0
55.05510	13.2
55.41013	0.4
56.96544	0.5
57.03426	1.9
57.07067	2.3
59.04996	0.8
59.82694	0.5
63.59563	0.5
65.03945	0.8
67.05507	48.7
69.03421	1.0
69.06709	0.7
69.07069	9.8
70.13667	2.1
71.04993	2.2
77.01623	0.7
77.19105	0.5
79.05495	14.3
81.03428	0.8
81.07058	47.5
83.04977	5.5
83.08625	6.1
85.06554	2.2
91.05489	8.9
93.07050	15.0
95.04971	3.5
95.08611	45.3
97.06542	3.4
97.10160	5.5
98.98468	100.0
99.04450	0.9
99.08138	1.1
105.07030	6.8
107.04973	0.8
107.08600	13.2
109.05849	0.4
109.06483	2.5
109.10159	29.3
111.04451	4.7
111.08054	1.5
113.06020	0.6
113.56179	0.5
116.99516	2.3
117.07021	1.9
119.08588	7.2
121.06512	2.2
121.10148	10.2
123.08073	2.2
123.11706	9.8
125.06028	1.0
125.09639	3.8
129.07021	0.6
131.08565	4.5
133.10127	7.4
133.48338	0.5
135.08055	2.1
135.11700	6.9
137.05989	0.8
137.09630	4.1
137.13283	1.7
139.07524	1.2
139.11188	1.0
140.01085	0.9
143.08560	0.6
145.06506	0.6
145.10133	5.0
147.11678	2.7
149.09628	1.9
149.13281	3.4
151.07578	0.7
151.11191	1.9
153.09045	0.8
153.12698	0.6
159.11694	3.4
161.13260	1.5
163.11230	1.7
163.14795	1.3
167.10681	1.0
171.11717	0.6
173.11865	0.8
173.13249	3.6
174.99251	3.7
175.14917	1.2
177.12863	1.3
177.16371	0.6
177.70032	0.5
179.08563	0.6
179.10736	0.6
181.10109	0.8
181.12317	1.1
187.14896	3.0
189.00647	0.5
189.16382	1.7
191.14346	1.2
191.17970	1.8
195.11748	0.6
195.13759	1.1
195.17487	0.6
197.13113	0.7
205.15961	1.1
205.19553	0.9
209.13290	0.8
209.15331	0.6
215.14407	1.5
215.17970	7.7
223.16919	1.1
233.15431	3.8
233.19009	9.9
235.79315	0.5
251.04738	1.4
251.12579	0.6
251.15863	3.9
251.18045	2.4
251.20131	24.1
252.12471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0915
Annotation	citrinin
Peak:m/z	Relative Intensity
50.03336	0.6
53.21964	0.6
55.01662	0.6
55.01880	7.6
55.05516	1.2
56.96555	1.6
57.03434	0.9
59.52815	0.6
67.05490	1.6
69.03433	2.0
69.07069	0.9
69.53300	1.3
69.53709	3.4
71.04990	1.1
73.02918	0.9
79.05495	2.2
81.03423	1.1
81.07060	2.0
83.05000	1.0
83.08614	0.7
85.02909	1.8
86.00648	0.8
86.09703	1.0
87.04437	0.6
91.05488	3.9
93.07053	2.1
95.04956	2.1
95.08630	0.9
97.02914	1.9
97.06556	1.1
98.21523	1.4
98.98470	100.0
99.04441	1.1
103.05467	3.3
105.03468	0.9
105.07036	5.8
107.04979	2.7
107.08605	1.7
109.06543	1.7
115.05448	5.2
116.06261	0.9
116.98670	1.0
116.99531	2.1
117.07001	4.2
118.04161	1.0
119.04950	1.5
119.08598	1.5
121.06523	5.7
123.04453	0.9
123.08047	0.8
128.06223	1.0
130.04189	1.3
131.04927	4.9
131.08559	1.1
132.05719	1.1
133.06512	8.2
133.10155	0.9
135.04390	1.5
135.08023	1.3
136.05205	1.2
137.05986	2.7
139.03925	0.8
139.07552	1.1
140.12668	0.6
143.04895	1.1
144.05702	0.8
145.06512	7.7
145.10152	2.0
146.03619	0.7
146.07283	7.3
147.04411	12.5
147.08052	1.3
147.11752	0.6
148.05246	3.2
149.06042	1.6
149.09700	1.0
150.06750	3.0
151.07550	9.5
152.04724	0.6
155.06055	1.5
157.10164	0.7
158.03636	0.8
158.99632	0.8
159.04431	3.6
159.11710	1.0
160.05180	1.0
161.05968	8.8
161.09578	0.8
162.03125	1.0
162.06779	5.4
163.03932	1.1
163.07538	1.9
164.04764	0.9
165.05470	0.8
165.09093	3.3
166.05063	0.7
167.07039	2.9
173.06029	3.8
174.06763	6.0
174.99242	5.2
175.03928	1.5
175.07484	1.3
176.04716	1.7
177.05507	2.8
177.09091	8.0
178.06299	2.2
179.07031	4.2
187.07561	0.9
187.11240	1.4
189.05463	10.7
189.09123	1.1
190.06253	3.4
191.07039	52.7
193.08598	6.0
195.10182	1.1
201.00110	0.9
201.05524	1.6
203.07095	1.9
204.07840	9.1
205.04941	2.1
205.08620	11.2
206.05687	1.2
215.10646	0.8
215.14258	0.9
220.07356	1.7
221.08159	3.6
233.08099	44.1
233.15343	1.4
251.06805	0.6
251.09135	11.7
251.12848	2.8
251.16527	1.8
251.20062	0.7
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
53.03933	0.9
55.01878	2.4
55.05494	2.1
56.96566	3.6
57.03436	2.3
57.07063	1.0
59.04987	0.8
60.46912	0.4
61.02938	0.6
67.05505	4.9
69.03127	0.4
69.03436	5.2
69.07040	1.9
71.01332	0.4
71.04973	2.0
73.02914	3.8
79.05495	4.6
81.03428	1.0
81.07059	11.5
83.04970	1.6
83.08611	0.6
84.95998	0.6
85.02905	4.2
85.06524	1.0
87.04451	1.9
91.04974	0.5
91.05490	8.2
93.07049	5.9
95.04969	2.7
95.08615	6.3
97.02893	3.2
97.06516	2.3
98.97581	16.6
98.98449	100.0
99.04466	2.1
103.05437	1.6
105.04512	0.4
105.07029	11.6
107.04944	2.6
107.08595	5.7
109.02858	1.1
109.06499	2.5
109.10155	3.5
110.97552	4.1
111.04424	0.6
111.08051	1.1
115.03928	1.1
115.05434	1.9
116.98598	6.9
116.99467	1.4
117.07008	5.8
119.04924	1.3
119.08572	5.9
120.08083	1.1
121.06506	3.1
121.10137	3.9
123.04457	1.2
123.08049	1.9
123.11713	4.0
124.99131	0.6
125.05918	0.9
125.51035	0.5
127.03896	1.3
128.02351	0.6
128.06219	3.3
128.98631	2.6
129.07018	3.1
130.07753	1.1
131.04945	3.3
131.08566	10.1
133.06532	2.4
133.09221	0.7
133.10132	9.2
134.99617	1.2
135.04413	0.6
135.08043	2.2
135.11646	1.9
137.05937	1.3
137.09610	1.2
141.06956	2.1
142.07768	2.1
143.00119	1.3
143.08568	11.0
143.58228	0.5
144.09311	1.7
145.04869	0.5
145.06477	4.1
145.10141	11.3
146.99681	0.7
147.04382	1.9
147.08047	2.3
147.11671	1.5
149.05952	0.6
149.09621	2.2
149.13144	0.7
151.11198	3.2
153.06978	0.6
154.07767	1.7
155.07126	0.5
155.08563	1.8
156.09348	1.1
157.10129	6.0
158.07187	0.6
158.99661	3.6
159.08069	2.7
159.11693	9.0
161.01161	0.7
161.06001	0.9
161.09668	4.6
163.03963	1.1
163.07556	1.5
163.11157	1.9
163.12366	0.5
167.08521	0.7
169.06502	0.6
169.10118	5.8
170.99751	2.4
171.11662	1.9
173.05983	1.3
173.09622	4.6
173.13246	0.7
174.99190	3.4
175.07536	0.6
175.11194	3.6
176.03339	1.3
176.04730	0.7
177.00729	2.5
177.05479	2.4
177.09111	0.7
177.12727	1.6
182.07185	0.6
185.03883	1.2
185.06470	5.2
185.09598	3.2
185.56729	0.7
187.07591	0.6
187.11186	9.9
189.00687	1.6
189.05408	0.6
189.12737	2.2
191.07042	1.5
191.10681	3.1
191.14267	0.9
193.08629	0.7
193.12274	0.7
194.07010	13.0
194.57109	0.8
197.09689	1.2
203.10730	4.4
203.14365	0.6
205.08540	1.3
205.12221	3.8
205.57813	1.6
207.04074	0.7
207.06519	0.7
209.17332	0.6
215.07051	1.6
215.10669	5.4
215.14191	0.9
215.17896	0.7
219.01740	1.0
220.07799	1.3
221.11723	2.9
231.01802	1.6
233.08104	1.0
233.11749	11.2
233.15388	2.0
249.02820	2.7
249.08023	1.1
251.08846	13.4
251.12766	57.0
251.16272	2.5
251.20062	1.2
251.58720	2.0
252.12976	0.6
267.03870	0.6
267.09006	2.9
268.69208	0.5
271.59583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	0.6
56.96562	4.4
57.03424	1.9
61.02925	1.5
64.89544	0.5
67.05482	0.5
69.03426	5.8
70.06580	2.2
71.04991	0.6
71.40005	0.9
73.02913	0.8
81.03430	1.8
81.07065	0.6
82.03068	0.5
82.48113	0.5
85.02905	21.3
88.07628	100.0
89.64850	0.5
91.05460	0.9
97.02878	4.1
98.97606	3.7
98.98467	22.4
98.99110	1.2
99.04488	0.7
107.04969	0.8
109.02869	1.9
110.97588	0.7
116.98625	1.7
116.99414	0.7
119.01917	0.6
127.03915	4.0
128.98578	0.7
131.00131	0.7
134.99619	0.5
142.80026	0.6
144.05344	0.6
145.04987	1.7
146.99652	0.7
150.05629	0.6
151.05898	0.8
154.60162	0.5
158.99741	0.9
163.03917	1.1
174.99207	0.9
176.07974	0.6
190.01535	0.6
190.05833	0.5
204.07320	1.2
208.02898	1.3
237.02937	0.7
250.07919	0.7
250.10693	1.0
250.12921	0.8
250.21904	0.7
250.29056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03948	6.4
54.47023	1.0
55.01860	2.3
55.05507	11.3
56.96567	7.6
57.07056	4.0
58.57940	1.0
65.03928	1.6
67.05503	52.7
69.03419	1.3
69.07066	15.2
70.02679	2.7
70.03081	1.8
71.04984	1.7
71.08645	1.3
71.95241	1.2
73.06532	1.4
77.03920	1.6
79.05491	63.6
79.32083	1.0
81.03424	1.5
81.07056	37.4
83.04983	3.1
83.08611	10.5
85.06527	2.2
85.28348	1.2
91.04881	1.7
91.05472	44.3
93.07041	100.0
95.04979	9.8
95.08607	35.8
97.06532	15.7
97.10148	4.0
98.97538	1.1
99.08111	2.9
105.04496	3.3
105.07026	22.4
107.08591	47.1
109.06516	9.6
109.10147	11.0
111.04443	1.2
111.08089	5.7
115.05347	1.3
117.06986	3.3
119.08578	24.4
121.06507	2.7
121.10139	72.1
123.08070	9.9
123.11687	3.8
125.09596	2.6
129.06984	2.1
131.08583	10.4
133.06493	1.4
133.10126	22.7
133.95544	1.2
135.08025	6.0
135.11696	27.1
137.09618	11.7
139.07492	1.3
141.45856	1.2
143.08513	2.8
145.10121	6.1
147.08040	1.4
147.11682	22.9
149.09653	7.5
149.13225	3.3
151.11168	4.8
153.09085	2.9
153.98288	1.3
157.10088	3.3
159.11664	1.9
160.07899	1.1
161.09583	2.2
161.13289	5.0
163.11203	1.6
163.14803	1.5
165.12753	3.6
167.10681	2.9
171.11682	5.5
173.13164	1.2
175.11197	1.7
175.14783	1.3
179.10577	1.3
185.04915	7.2
185.13255	4.5
187.14752	1.2
189.12692	1.5
189.16345	4.9
203.05916	9.5
203.14285	3.7
203.17953	22.0
213.16397	11.8
221.18999	6.1
227.09547	3.8
231.17438	13.1
245.10532	2.8
249.18492	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03947	6.0
55.01874	1.3
55.05520	6.7
56.96568	2.1
57.03446	0.7
57.07084	0.9
58.76743	0.6
59.04996	0.7
65.03942	1.5
67.05507	31.4
69.07072	6.4
70.65276	1.3
71.04999	1.6
77.03922	1.4
78.04755	0.6
79.05498	45.0
81.03423	0.6
81.06572	1.0
81.07060	21.8
83.04982	1.4
83.08625	3.5
85.06547	1.4
91.05486	37.5
93.07050	100.0
95.04975	8.1
95.05558	0.9
95.08609	15.7
97.06539	6.1
97.10180	1.8
98.97646	0.6
99.08097	1.3
105.04544	3.8
105.07040	11.8
107.08602	26.8
109.06521	2.5
109.10147	4.8
111.08111	2.2
111.11751	0.6
117.07035	3.3
119.08589	10.5
121.06490	1.1
121.10146	40.9
123.08084	3.2
123.11714	1.2
129.07014	1.6
131.08577	6.5
133.10141	10.0
135.08072	2.4
135.11696	13.6
137.09596	3.4
137.13158	0.7
143.08559	1.9
145.10107	3.0
147.08113	0.7
147.11687	10.4
149.09641	4.3
149.13271	2.0
151.11211	2.8
153.09081	1.5
157.10146	1.5
159.11678	1.3
161.09676	0.8
161.13293	2.2
163.11131	0.9
165.12796	2.0
167.10687	2.7
171.11722	2.7
175.14876	1.0
181.12244	0.6
185.04929	0.8
185.13254	2.4
187.14783	1.0
189.16382	2.3
193.12289	1.0
203.05882	1.4
203.14310	2.5
203.18008	4.2
210.57001	0.5
213.16373	5.9
221.18967	1.0
231.17436	5.2
249.14697	2.2
249.18510	42.4
250.18564	0.9
264.82837	0.6
267.09167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	14beta-Hydroxy-4-isocedren-15,14-olide
Peak:m/z	Relative Intensity
52.00880	0.8
53.03944	0.9
55.05508	7.5
56.96552	1.0
57.07063	1.5
67.05515	7.7
69.07065	10.5
71.04972	3.3
71.62264	1.1
79.05492	7.9
81.07057	17.4
83.08604	3.3
85.06550	0.9
91.05480	8.0
93.07050	13.4
95.04934	3.1
95.08604	13.7
97.06534	1.8
99.08099	1.3
105.07032	24.1
106.07358	0.7
107.04993	1.0
107.08593	11.3
109.06512	6.5
109.10168	4.5
111.08089	1.8
115.05420	1.0
117.07001	3.5
119.08578	30.7
121.06468	1.6
121.10126	8.3
123.04446	1.2
123.08064	1.6
123.11680	1.6
125.06083	0.8
128.06216	1.8
129.07021	5.0
131.08566	15.4
133.06480	2.1
133.09224	1.5
133.10129	13.6
135.08031	1.7
135.11714	3.7
137.09557	0.9
139.07545	1.1
142.07739	1.9
143.08556	14.4
144.09312	1.7
145.10121	17.3
147.08034	3.5
147.11694	7.0
149.05911	0.9
149.09547	1.6
151.07533	1.2
153.09116	1.7
156.09343	2.1
157.10135	7.9
159.08144	1.0
159.11691	11.6
161.09644	4.1
161.13258	8.3
163.07614	1.9
163.11005	0.9
170.10912	2.8
171.11728	1.8
173.13240	3.5
175.07524	1.3
175.11269	2.0
175.14825	41.6
177.16426	1.6
179.10706	1.1
181.08582	2.5
183.11685	2.3
185.13283	49.4
187.14767	5.2
189.16408	9.4
193.08675	1.4
193.15874	2.2
203.14322	58.9
203.18175	5.9
203.26608	0.8
204.14830	0.8
213.12735	2.1
219.13824	0.9
221.15388	1.8
231.13765	6.9
231.17311	1.7
249.14848	100.0
249.18486	10.7
249.25018	1.5
264.13864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.01847	0.5
55.05297	0.6
55.05513	6.7
56.96549	1.4
57.07059	1.7
67.05504	6.5
67.50639	0.5
69.03411	1.1
69.07068	8.0
71.08627	0.7
71.22429	0.6
71.22759	0.9
74.99769	0.4
79.05501	4.3
79.30083	0.4
81.07058	7.9
83.08613	2.9
91.05483	4.3
93.07040	7.3
95.04960	1.2
95.08607	20.9
97.06532	0.7
97.10164	3.6
105.07033	8.6
107.08595	13.0
109.06494	1.6
109.09448	0.8
109.10155	8.5
111.08052	1.1
111.11724	0.9
117.06988	1.1
118.11996	0.5
119.08581	13.1
121.06494	1.3
121.10152	7.6
123.08029	2.1
123.11695	2.9
125.09609	1.1
129.06953	0.5
131.08572	1.3
131.32060	0.6
133.06485	1.2
133.10123	12.2
133.11073	0.9
135.08076	4.7
135.11679	4.2
137.05952	0.9
137.09581	1.3
137.13252	0.8
139.07509	2.4
142.07785	0.6
143.08549	1.0
145.10112	1.6
147.08046	1.7
147.11693	8.6
149.09560	1.1
149.13281	1.9
151.07527	1.7
151.11172	0.6
153.09093	7.7
157.10121	2.0
159.11664	0.8
161.09659	2.8
161.13261	5.1
163.11247	0.6
163.14749	1.1
165.09073	2.0
167.10725	1.2
171.11636	0.7
173.13297	0.9
175.11185	2.2
175.14812	2.7
179.10660	3.5
185.13229	1.6
187.14755	1.3
189.12698	0.9
189.16388	5.9
193.12234	2.1
203.14287	1.5
203.17953	14.9
207.13986	0.6
213.16414	2.1
221.18774	0.6
231.13811	1.0
231.17416	10.5
231.20935	0.7
249.18500	100.0
250.18707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03945	7.9
55.01858	4.3
55.05511	20.3
55.64913	1.4
56.96574	2.5
57.07080	8.3
59.97066	1.4
60.56179	1.6
65.03937	3.8
67.05505	54.9
69.03410	2.8
69.07069	22.5
71.04984	5.4
71.08605	2.4
71.60934	2.2
79.05493	61.6
79.05952	3.6
81.03409	3.5
81.07059	72.4
83.04974	3.2
83.08623	17.0
85.06529	3.7
85.10138	2.2
88.96709	1.5
91.05483	43.3
93.07044	100.0
95.04978	14.3
95.08607	69.8
95.09087	0.9
95.09230	2.2
97.06532	8.8
97.10165	8.3
99.08080	2.9
105.04504	2.3
105.07034	40.1
107.04956	3.4
107.08601	55.9
109.06530	10.9
109.10149	31.7
111.08046	4.8
111.11713	2.6
115.05433	2.5
117.07012	6.0
119.07778	3.0
119.08583	47.4
121.06501	4.9
121.10144	73.8
121.19147	1.4
122.18133	1.6
123.08108	7.2
123.08984	1.2
123.11713	14.3
123.85700	1.5
125.05960	2.7
125.09654	2.3
128.06172	2.3
129.06995	8.0
131.08582	16.8
133.06458	2.8
133.10130	36.4
135.08035	6.7
135.11702	25.2
137.05962	2.1
137.09589	7.5
137.13257	4.2
139.07544	3.1
141.06935	1.7
142.07780	2.3
143.08549	18.1
145.10130	17.0
147.08023	5.5
147.10640	2.4
147.11702	28.8
149.09660	8.3
149.13313	7.7
151.07544	3.0
151.14818	2.1
153.09094	8.3
155.08606	2.3
157.10146	11.9
159.08139	1.7
159.11719	7.2
161.09639	9.2
161.13306	13.2
163.07495	1.7
163.11180	2.6
165.12715	2.5
167.10623	5.8
170.10913	5.1
171.08052	1.8
171.11687	6.8
173.13315	2.2
175.07565	2.1
175.11176	5.2
175.14825	27.5
179.10727	2.7
181.12241	1.8
183.11707	3.4
185.13280	59.7
187.14859	3.7
189.09088	2.2
189.12651	2.1
189.16463	13.0
193.12231	2.7
201.16406	1.5
202.16727	1.7
203.05798	1.8
203.14333	75.9
203.17996	50.7
205.19485	2.3
207.11783	1.9
207.13828	1.6
213.12721	2.6
213.16353	10.5
221.15378	2.0
221.19019	2.5
231.13914	10.2
231.17426	11.9
234.14099	1.8
249.11183	5.7
249.14841	56.6
249.18489	82.6
249.25613	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	249.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
56.96563	32.1
57.07062	0.9
67.05498	5.0
67.10059	0.6
69.03445	0.6
69.07047	2.1
71.95243	2.9
72.09903	0.7
72.96033	0.8
74.97612	0.9
79.05489	4.4
81.07046	6.3
83.08595	1.5
84.96031	1.5
91.05475	4.0
93.07034	6.3
94.79359	0.7
95.04960	1.1
95.08607	6.7
96.98392	4.9
97.02894	0.6
97.10104	0.7
97.99152	1.0
98.97564	0.7
105.07021	4.0
107.04939	1.0
107.08589	5.3
109.06500	1.4
109.10175	3.8
109.99098	0.6
111.08054	1.0
111.65891	0.6
114.99449	3.0
119.08564	5.9
121.10138	5.9
123.08041	0.7
123.11721	1.6
128.00182	1.8
131.08559	1.4
133.00462	1.2
133.10130	4.2
135.08163	0.6
135.11685	2.4
137.09598	0.8
141.13899	0.6
143.08522	1.2
145.10115	0.9
147.11674	3.8
149.13263	1.0
151.07582	0.7
151.11131	1.0
153.09016	1.0
159.11766	0.7
161.13200	1.2
162.04414	0.7
163.78748	0.6
167.10678	1.4
169.01773	0.8
175.11159	0.7
175.14847	2.4
179.07532	1.0
184.06493	1.0
185.04913	1.1
185.13293	3.2
187.02791	0.7
189.16368	1.8
192.06947	0.7
193.12154	0.7
203.05878	0.8
203.14279	3.8
203.17944	9.0
205.19539	0.9
208.09894	3.2
208.73828	0.6
210.08118	0.8
211.06392	1.6
211.08749	0.9
221.19008	1.0
224.09558	2.3
226.11133	100.0
227.09486	1.2
227.11591	1.0
231.17403	2.2
242.10696	0.8
244.12204	39.0
249.12888	4.5
249.14966	2.2
249.18481	9.2
249.22107	0.8
267.13766	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24404	14.5
71.59971	12.6
77.96732	14.4
78.70164	14.8
94.93002	28.4
95.82897	16.7
96.98992	14.2
198.85451	16.3
227.43089	20.6
231.74246	19.1
246.72908	18.3
249.03789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0757
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
54.57419	0.7
55.01874	1.1
56.96563	2.7
57.03413	1.1
59.05000	0.8
62.86096	0.6
67.05542	0.8
69.03426	1.5
70.85742	1.5
71.04976	0.8
72.73259	0.6
73.34618	0.7
73.42532	0.8
79.05509	1.1
85.02900	2.4
87.04458	0.8
88.82690	0.7
91.05476	3.7
93.07033	1.3
97.02888	4.1
97.19067	0.8
98.97585	4.2
103.05450	1.5
105.07020	5.4
107.04967	0.8
107.08583	0.9
110.97579	2.3
112.38997	0.6
112.63613	0.7
115.05456	34.1
116.98595	0.8
117.07007	4.2
119.01825	0.9
119.04939	4.2
119.08617	1.1
121.06548	1.0
123.04405	1.9
128.06258	0.9
128.98643	1.3
129.06999	1.9
131.04933	2.1
131.08586	1.2
132.05733	1.8
133.06483	3.7
135.04468	1.0
137.05951	1.7
143.04922	58.8
144.05620	1.7
145.06477	3.4
146.03618	6.4
147.04398	13.4
147.08038	1.8
149.05971	1.5
150.05484	0.9
150.89117	0.7
157.06506	0.7
159.04411	1.1
159.08031	1.4
159.47224	0.8
160.05205	19.3
161.05984	33.8
161.09633	1.2
162.06795	1.1
163.07478	0.9
167.02849	3.0
171.04411	39.0
173.05972	0.9
175.03929	2.5
175.07547	51.9
176.03357	2.1
177.05470	1.9
179.07019	3.1
187.07539	1.3
188.04710	3.3
189.00719	1.4
189.05473	24.7
189.09116	1.2
190.06355	1.0
199.03786	1.4
203.07025	100.0
204.07469	2.0
207.06583	1.7
213.05666	0.7
217.04962	15.6
219.01697	1.6
221.08052	5.3
221.11514	0.8
223.04565	1.2
231.06525	4.3
237.02826	1.8
239.02356	1.2
249.07568	61.0
249.11418	2.3
249.14795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0919
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00297	0.8
53.03947	12.1
55.01874	6.9
55.05494	1.2
56.01407	0.8
56.05032	1.8
56.96558	1.5
56.97247	0.6
57.03433	1.1
57.07078	0.7
57.40946	0.6
58.02952	1.9
58.07426	0.7
59.04995	0.8
65.03933	2.4
67.05162	1.3
67.05504	18.7
68.05032	0.9
68.13827	0.6
69.03423	2.2
69.07072	1.2
70.06588	2.1
70.31501	0.7
71.04985	1.5
73.02902	0.6
79.05490	4.8
80.05028	1.4
81.03417	61.5
81.05774	0.8
81.07056	3.9
83.01340	2.8
83.04972	0.6
85.02914	1.5
91.05479	2.1
93.05774	1.6
93.07050	0.6
94.06573	2.2
95.01323	0.6
95.04964	6.3
96.04479	2.6
96.08112	1.7
97.02896	1.5
98.97578	3.2
99.04433	0.8
105.04490	0.6
105.07057	1.1
106.02911	0.9
106.06549	1.3
106.07259	0.6
107.04918	0.7
107.07324	1.0
107.08575	0.7
108.08119	6.9
109.02879	74.1
110.06036	1.5
110.97578	1.0
112.07629	0.8
113.96267	0.7
116.98669	1.6
117.05779	1.2
118.06546	0.9
119.07375	0.7
119.08576	0.8
120.04439	0.9
120.08051	0.8
121.10148	0.6
122.06029	5.8
122.09647	0.8
124.03964	1.4
124.07594	3.1
129.07001	2.2
131.07330	3.0
136.07570	10.2
140.07063	13.9
140.08070	1.2
143.00101	0.7
143.04912	1.3
146.05966	0.7
146.09622	2.6
148.03931	0.9
150.09117	2.1
152.07066	100.0
153.07417	0.7
154.06566	0.7
156.08072	2.3
159.06845	1.1
161.05962	1.2
164.07053	15.0
164.10692	1.0
174.05481	1.1
174.09149	5.2
175.07532	1.0
177.00665	0.8
177.40233	0.6
178.05069	1.0
178.08641	8.0
180.06575	0.9
184.07573	1.9
186.05505	1.0
187.06245	1.9
192.10194	7.7
200.07059	0.8
202.08627	19.7
202.10547	1.0
203.07126	1.5
206.08057	3.1
206.46104	0.6
217.04947	0.6
218.08110	7.6
220.09683	8.0
230.08093	8.4
248.09180	94.6
249.07382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.00325	0.9
53.03938	2.6
55.05507	12.1
57.07064	3.2
59.04998	1.0
65.03940	1.1
67.05501	6.2
69.07082	7.6
71.08635	1.4
71.61646	1.2
73.06508	0.9
79.05489	7.3
81.07047	9.7
83.08612	5.1
83.16238	0.8
83.56734	1.1
91.04946	1.6
91.05475	17.9
93.07045	25.6
95.04976	0.9
95.08607	21.3
97.10139	2.7
98.61040	0.9
99.04445	1.2
103.05433	1.1
104.99275	3.2
105.04529	1.3
105.07033	33.3
107.08591	29.2
109.06470	2.2
109.10154	7.8
111.08081	1.5
115.05470	2.0
117.07013	7.4
118.07783	1.5
119.08578	49.0
121.06522	1.3
121.10146	9.9
123.08003	1.1
123.11730	1.7
125.05957	1.4
125.09654	0.9
129.07011	2.2
130.07784	3.0
131.08566	38.6
133.06490	1.0
133.10130	67.7
135.08069	3.0
135.11646	1.8
139.07545	2.6
143.08566	3.7
144.09341	3.3
145.06488	2.3
145.10120	40.1
147.11690	9.4
149.05959	3.8
149.09593	3.6
149.13245	1.7
151.07547	4.4
153.09140	2.1
156.09259	1.0
157.10101	6.4
158.07181	1.0
158.10902	1.5
159.08092	4.8
159.11690	38.6
161.09607	1.5
161.13275	8.5
163.07547	8.5
165.09079	2.4
169.10011	1.1
171.11641	2.1
172.12477	3.2
173.09682	6.4
173.13261	19.0
175.07495	1.6
175.14847	2.5
177.09105	40.0
179.10605	1.6
183.11685	1.3
183.60297	0.9
185.13132	1.3
186.14088	2.6
187.11234	3.2
187.14824	3.6
191.10678	5.4
201.16377	100.0
203.17970	9.0
211.14815	2.1
219.17439	4.0
229.15857	13.8
229.19479	1.7
247.16945	30.4
247.20694	1.6
247.24239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.33675	0.4
53.03932	0.7
53.47733	0.6
55.05482	1.7
56.96536	1.0
61.75111	0.5
67.05511	2.5
69.07076	3.6
70.30585	1.2
70.30976	1.1
79.05502	2.3
81.06634	0.5
81.07065	5.3
83.08595	0.8
91.05472	3.0
93.07058	5.9
95.04921	0.7
95.08609	7.1
96.05012	0.6
97.10148	0.5
105.06376	0.7
105.07040	8.6
107.08595	7.1
109.06514	0.6
109.10196	3.1
117.06989	2.3
119.08594	9.6
121.04726	0.5
121.10176	3.8
123.11731	0.8
125.05978	0.7
127.07590	0.6
129.07057	0.5
130.07771	0.7
131.08574	15.8
133.10150	7.1
135.07986	1.1
135.11655	0.5
139.07527	0.5
140.15804	0.5
143.08577	1.0
144.09360	1.0
145.10132	25.8
146.10893	0.7
147.11687	3.7
148.22946	0.5
149.13231	1.2
157.10120	0.9
159.08170	0.7
159.11708	14.0
161.13306	3.2
163.07465	0.5
163.11180	0.6
171.11696	1.3
173.09601	0.8
173.13277	5.8
175.07610	0.6
175.14845	0.9
176.89447	0.5
177.09100	2.0
179.10661	1.5
186.14011	1.6
187.14818	0.8
191.10622	1.5
201.04398	0.8
201.16388	100.0
202.16736	1.0
203.17966	3.6
219.17447	5.2
229.15875	2.7
229.19519	0.8
247.09679	1.0
247.16954	31.5
247.20831	1.6
247.24394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05511	2.2
56.49112	0.4
57.07076	1.2
67.05495	3.0
69.07069	3.8
70.18858	0.8
70.19251	1.0
71.12827	0.4
79.05487	3.0
81.07056	6.7
83.08607	1.3
91.05484	2.9
93.07048	6.2
95.08611	8.3
97.02961	0.4
97.06578	0.4
97.10162	0.6
105.07029	8.8
107.08604	8.1
109.06543	0.6
109.10150	3.5
117.07006	1.4
119.08577	10.5
121.10156	4.2
123.08088	0.4
123.11687	0.8
125.05959	0.5
129.07043	0.6
130.07788	1.1
131.08566	16.2
133.09114	0.5
133.10118	7.4
135.08047	0.5
135.11667	1.9
137.64163	0.4
139.07561	0.6
143.08592	1.0
144.09375	0.7
145.10120	23.9
147.11703	3.7
149.05873	0.4
149.13269	1.9
150.10396	0.4
157.10153	1.0
159.08054	0.5
159.11693	15.4
159.13004	0.9
161.13260	2.5
163.07549	0.4
163.11215	0.4
165.09085	0.6
171.11728	0.6
172.12482	0.5
173.09581	1.0
173.13271	5.7
177.09135	1.4
177.16403	0.5
179.10655	1.5
185.13342	0.5
186.13986	1.3
187.11195	0.4
187.14795	0.9
191.10699	1.1
201.16379	100.0
202.16711	1.0
203.17924	4.4
205.12234	0.7
211.14828	0.8
219.17448	5.4
229.15866	2.7
247.16928	30.7
247.24045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03954	0.6
54.60435	0.4
55.05502	1.4
57.07058	0.8
65.79780	0.4
67.05492	2.0
69.07072	4.0
69.50985	0.4
69.70158	3.0
79.05479	1.9
81.07062	5.7
91.05495	2.4
93.07044	5.9
95.08612	6.7
98.21467	0.9
105.06372	0.7
105.07031	9.3
107.08603	7.6
107.90022	0.5
109.06474	0.6
109.10184	2.2
117.07030	2.4
119.08578	11.0
121.06519	0.6
121.10133	3.0
125.05934	0.4
129.07033	1.2
131.08574	17.7
133.10127	7.9
135.07932	0.6
143.08566	2.1
144.09308	1.3
145.10133	28.2
147.11711	3.4
149.13260	1.0
157.10095	1.1
159.11699	15.9
161.13315	3.3
163.07472	0.7
171.11696	0.9
173.09700	0.6
173.13242	5.9
177.09105	1.4
177.12732	1.6
179.10660	0.8
183.11761	0.7
185.13263	4.5
186.13963	1.2
187.14815	0.5
191.10699	1.4
201.16389	100.0
202.16786	1.0
203.14297	1.3
203.17989	4.5
211.14700	1.1
219.17458	5.6
229.15887	3.3
247.13182	1.6
247.16951	28.7
247.24138	0.8
248.17175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
54.56078	0.3
55.05508	4.6
57.03425	0.4
57.07059	1.1
58.72192	0.3
60.54991	0.3
61.12310	0.3
65.03888	0.5
67.05505	4.2
69.03423	0.8
69.07067	5.1
70.31897	1.6
71.04992	0.6
71.08615	0.5
75.91619	0.3
79.05493	3.9
80.09607	0.3
81.03428	0.3
81.07059	8.2
83.04973	0.5
83.08632	2.1
85.02869	0.4
85.06503	0.4
91.05473	6.0
93.07044	10.7
95.04978	0.4
95.08041	0.7
95.08608	11.2
97.02917	0.5
97.06535	0.5
97.10165	0.9
99.04443	0.8
105.07031	11.5
107.04928	0.8
107.08597	12.6
109.06506	1.3
109.10162	5.3
111.08069	0.6
115.05415	0.8
117.07013	3.7
119.08581	21.5
121.06472	0.5
121.10130	6.9
123.11723	1.7
124.11448	0.4
125.05984	0.9
128.06223	0.7
129.06981	0.9
130.07791	1.0
131.04987	0.3
131.08562	13.6
133.10129	16.6
135.04358	0.4
135.07997	1.0
135.11705	2.4
137.13228	1.0
139.07553	0.9
143.08554	1.3
144.05685	0.5
144.09325	1.1
145.06448	0.8
145.10118	28.3
146.10808	0.5
147.08044	0.4
147.11685	3.8
149.05969	1.1
149.09656	0.4
149.13271	2.0
151.07552	1.1
153.09129	0.6
155.08588	0.4
157.10136	1.5
158.10950	0.8
159.08037	1.3
159.11691	18.5
161.09554	0.5
161.13266	5.6
163.07567	3.0
163.14812	0.8
165.09077	1.2
168.09334	0.5
169.10168	0.8
169.52094	0.4
171.11656	1.6
172.12465	0.6
173.09627	0.9
173.13251	9.3
175.11246	0.6
175.14850	2.0
177.09103	3.0
177.16386	0.9
179.10654	1.1
183.11678	0.4
185.13283	0.5
186.14029	4.2
187.11206	1.1
187.14745	0.9
191.10680	2.2
191.17969	1.0
196.08784	0.5
199.14796	1.0
201.16377	100.0
202.16716	1.5
203.17955	3.8
205.12274	1.0
211.14809	1.0
219.17453	4.4
229.12347	0.6
229.15855	4.7
229.19466	0.8
247.09679	0.9
247.13249	1.8
247.16942	28.3
247.24164	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03922	0.4
55.05512	2.9
57.07088	1.4
60.94766	0.3
67.05500	3.0
69.03423	0.3
69.07072	4.3
69.44749	0.6
69.45155	1.6
70.91984	0.3
71.08598	0.5
73.18188	0.3
79.05126	0.3
79.05499	3.8
81.07059	8.6
83.04971	0.4
83.08628	1.6
85.06519	0.4
91.05480	3.9
91.79046	0.3
93.07053	7.9
95.04964	0.4
95.08607	8.8
97.02869	0.3
97.06500	0.4
97.10156	0.6
105.07030	8.3
107.04980	0.3
107.08595	9.7
109.06535	0.6
109.10156	5.0
111.08057	0.4
114.93078	0.3
117.07016	2.2
119.08584	10.3
121.06504	0.4
121.10158	6.5
123.08066	0.6
123.11720	1.3
125.05994	0.5
129.07010	0.4
130.07730	0.5
131.08575	16.6
133.10138	7.1
135.08031	0.8
135.11681	3.5
137.13254	0.4
139.07501	0.5
141.06958	0.3
142.07779	0.3
143.08562	1.1
144.09343	1.2
145.10124	25.2
146.10918	0.4
147.08020	0.5
147.11684	3.5
149.09619	0.7
149.13280	2.7
151.07567	0.5
153.09102	0.3
157.10056	1.0
159.08057	0.8
159.11697	16.0
161.09608	0.7
161.13269	3.0
163.07477	0.7
163.11171	0.7
163.14810	1.0
165.09079	0.5
169.10162	0.6
171.11679	0.9
173.09618	0.6
173.11914	0.5
173.13284	5.6
174.05434	0.3
177.09117	1.1
177.16396	0.7
179.10652	1.4
180.80649	0.3
186.14041	1.2
187.07681	0.3
187.11143	0.7
187.14838	0.9
191.10654	1.3
191.17953	0.9
199.14752	0.7
201.16389	100.0
202.16728	1.1
203.17952	3.9
205.12296	0.4
211.14816	1.1
213.86725	0.3
219.14050	0.3
219.17447	5.5
229.15871	2.6
247.16951	31.1
247.24190	4.8
248.17097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05508	12.4
56.96546	2.5
57.07066	3.0
67.05511	13.5
69.07047	8.4
69.38054	1.6
79.05498	9.0
81.07053	15.9
83.04970	2.2
83.08606	6.1
90.20187	1.6
91.05488	19.0
93.07046	30.0
95.04964	2.1
95.08606	28.3
97.10155	3.2
99.08113	1.8
104.99287	12.2
105.07030	36.8
107.08595	33.0
109.06499	4.3
109.10158	8.4
115.05448	1.9
117.07010	8.8
119.07776	3.3
119.08580	47.7
121.10149	14.7
123.11716	2.9
129.06999	2.1
130.07791	2.0
131.08572	32.4
133.10133	64.1
135.04424	1.9
135.08038	3.2
135.11655	6.3
136.34341	1.6
137.13249	2.2
139.07541	3.2
143.08527	2.4
144.09216	1.6
145.10121	39.1
147.11714	10.9
149.05959	2.6
149.09604	3.8
149.13254	2.2
151.07533	3.2
153.09140	2.4
157.10110	3.7
158.10869	2.2
159.08086	5.5
159.11699	36.4
161.13257	7.2
163.07558	8.6
163.11205	2.7
165.09108	2.4
171.11650	3.1
171.37636	1.8
172.12448	3.1
173.09644	6.3
173.13287	18.9
175.14824	3.3
176.33112	1.7
177.09111	36.9
177.16339	2.5
179.10652	2.7
186.13945	2.0
187.11147	4.1
187.14804	7.3
191.10625	5.5
201.16383	100.0
203.17949	10.5
205.12228	4.2
211.14789	3.5
229.08388	2.5
229.15913	16.0
229.19473	6.3
247.13139	3.0
247.16922	34.9
247.20561	7.4
247.24216	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
57.07067	3.3
67.05505	9.7
69.07070	15.9
71.61726	1.4
79.05484	5.5
81.07058	27.4
81.24163	1.1
83.08604	4.6
91.05480	7.1
93.07053	11.4
93.93064	1.3
95.08038	2.2
95.08608	33.8
97.10155	3.6
105.07014	8.5
107.08595	31.4
109.09453	1.5
109.10155	18.9
111.04469	1.3
111.11718	2.6
117.07035	2.2
119.08579	17.0
121.10147	26.1
122.07133	1.4
123.11707	15.0
125.09538	1.4
133.10132	10.8
135.11693	15.2
137.13263	13.1
145.10089	2.4
147.11690	4.7
149.13248	10.6
161.13243	9.9
163.14813	6.6
175.14825	23.3
177.16606	1.6
189.16374	14.5
201.88460	1.1
203.17865	1.7
213.20439	1.2
217.19493	1.4
245.11565	3.9
245.15442	3.4
245.22655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27828	1.0
54.93642	1.0
69.82877	2.2
69.83279	5.1
72.08163	1.9
77.11743	1.2
98.98478	2.7
101.00910	1.1
111.32685	1.1
111.83980	1.0
115.88413	1.0
125.08082	1.1
207.71820	1.2
209.97974	1.1
229.03198	31.3
247.04272	100.0
247.07884	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03933	4.5
55.05497	5.4
57.35893	1.6
57.70338	1.6
58.49176	1.6
65.03925	3.4
67.05493	6.3
69.03436	17.0
69.38727	1.5
69.45717	9.2
69.46124	3.1
70.10964	1.8
79.05489	9.0
79.70486	1.5
81.07048	6.8
83.04530	2.2
83.04980	20.7
86.14133	1.5
91.05479	16.5
93.03392	5.7
93.07059	13.1
95.04945	5.2
95.08517	1.9
97.02895	7.7
105.07042	14.5
107.08600	14.6
109.02882	11.2
109.06530	9.7
109.10180	3.1
111.04411	4.1
111.08088	2.0
115.05424	3.3
116.06207	1.7
117.07014	10.4
119.08560	13.5
121.02829	3.6
121.06474	13.4
121.10137	7.8
123.08092	2.7
128.06209	4.2
129.06996	5.3
130.07744	2.2
131.08572	16.1
132.05658	1.7
132.95848	2.9
133.10144	10.9
135.08061	26.6
137.05943	5.7
137.09590	3.2
141.06944	2.0
142.07809	2.7
143.08499	9.6
144.09357	9.0
145.06451	12.6
145.10126	12.9
147.08047	6.2
149.09616	19.0
150.10408	3.4
151.11142	2.6
151.87447	1.8
153.07016	2.9
154.07805	2.5
155.08524	6.3
157.10104	4.6
158.10947	12.8
159.08069	10.3
159.11679	23.7
160.08870	5.4
161.09596	5.9
163.07529	22.7
163.11169	2.9
168.09355	2.7
169.10075	4.0
170.10922	6.6
171.08037	5.2
172.08841	18.4
173.06030	2.4
173.09637	28.2
173.13255	35.1
179.20129	1.6
183.11719	8.5
185.09622	2.2
186.10378	22.3
187.07613	3.4
187.11177	100.0
189.09048	3.2
191.05365	3.0
191.07028	40.7
195.07927	1.9
196.08801	6.1
198.96893	2.5
199.07552	1.6
201.12732	55.3
205.12199	5.4
211.11189	14.0
214.09924	3.4
219.13817	4.9
229.12234	69.0
247.13304	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
54.23909	0.5
55.05479	2.2
57.07054	0.8
62.48633	0.4
67.05486	2.5
69.07069	3.8
70.80254	1.5
79.05457	2.1
81.06638	0.5
81.07053	5.0
83.08584	0.9
83.66733	0.5
91.05473	2.8
92.24760	0.5
92.41891	0.5
93.07036	5.6
94.70942	0.4
95.08605	6.7
105.07029	8.6
107.08603	6.6
109.06472	0.5
109.10181	3.6
115.05424	0.6
117.06989	2.1
119.07780	0.8
119.08574	10.6
121.10143	3.2
123.11750	0.6
125.05965	1.1
130.07747	0.5
131.08563	15.5
133.10121	7.6
135.11626	0.6
137.05997	0.5
139.07494	0.7
139.90779	0.5
143.08478	0.7
145.10114	25.8
147.11700	3.5
157.10136	0.7
159.08015	0.7
159.10439	0.7
159.11684	13.4
161.13213	2.9
163.07510	0.8
167.89018	0.6
172.12337	0.6
173.09598	0.7
173.13237	5.1
175.03903	1.2
177.09076	1.5
179.10625	0.8
186.14012	1.4
187.11192	0.7
187.14783	0.7
191.10640	1.3
201.16373	100.0
202.16689	0.8
203.17931	4.3
205.12250	0.6
219.17387	5.5
229.15886	2.2
247.16939	32.1
250.51675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03932	1.9
55.05509	11.5
56.96544	4.1
57.07059	2.6
65.03928	1.5
67.05502	9.4
69.07064	9.1
69.34389	7.5
70.47935	0.9
71.08611	0.8
74.45237	0.9
79.05497	8.0
81.07049	11.7
83.08613	5.1
91.04951	1.5
91.05479	16.4
92.23656	0.9
93.06465	1.3
93.07041	22.6
95.04944	2.2
95.08041	1.5
95.08604	22.4
97.10138	3.3
99.04427	1.2
103.05459	1.6
104.99268	6.5
105.07024	32.6
107.08588	27.8
108.15549	1.0
109.06500	2.1
109.10148	8.2
111.08085	1.6
115.05421	1.8
116.06251	1.3
117.07016	8.1
119.08575	48.3
121.10151	11.9
123.11705	2.0
125.05988	2.3
125.09650	1.8
129.06996	1.6
130.07776	1.9
130.80698	0.9
131.08559	32.8
133.10124	61.4
135.04408	1.6
135.08040	2.8
135.11668	3.2
137.06021	1.0
137.13255	2.0
139.07529	2.6
143.08548	4.1
144.09363	2.2
145.06491	1.8
145.10121	37.3
147.08008	1.2
147.11694	12.4
149.05931	2.2
149.09589	2.8
149.13190	1.3
151.07542	3.6
153.09071	2.1
155.08420	1.2
157.10133	5.5
159.08044	4.8
159.11684	36.5
159.12997	1.8
161.09648	1.6
161.13248	8.1
163.07524	10.8
165.09087	2.7
171.11667	1.8
172.12439	2.9
173.09596	6.2
173.13275	15.7
175.11195	1.2
175.14763	2.9
177.09105	38.1
177.76634	1.1
179.10664	1.8
185.13170	1.5
186.14053	1.5
187.11180	4.7
187.14835	3.0
191.10686	5.6
191.14284	1.1
201.16371	100.0
203.14282	0.9
203.17964	8.4
203.19603	1.4
205.12148	1.2
211.14836	2.1
219.17487	4.7
229.15852	18.1
247.16919	37.2
247.20514	2.7
247.24274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.6
57.07067	3.9
67.05211	1.4
67.05508	13.6
69.07067	15.5
69.94826	1.9
69.95217	6.4
79.05484	8.8
81.07059	33.7
83.08623	7.2
91.05474	7.5
93.07041	28.0
95.08611	41.8
97.10159	6.7
105.07028	15.4
105.65238	1.4
107.08604	31.9
109.10156	26.2
111.11782	1.4
119.06003	1.7
119.08582	19.5
121.09312	2.5
121.10149	33.9
123.11713	20.3
133.10118	13.2
135.11691	17.1
137.13278	10.3
147.11713	9.6
149.13263	70.7
151.14793	1.5
161.13257	10.0
163.14792	8.9
175.14836	34.1
189.16411	19.5
203.17955	4.8
210.20067	1.4
217.19824	1.3
245.04619	1.9
245.11667	2.5
245.15331	4.1
245.18881	2.7
245.22655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03955	0.5
53.85760	0.3
55.01871	2.0
55.05511	1.3
56.35061	0.4
56.96570	0.9
57.03434	0.5
58.94856	0.3
62.42870	0.3
67.05522	0.3
69.03438	1.0
69.07068	1.3
71.14162	0.5
71.14517	0.6
76.77992	0.3
76.97604	0.3
77.99066	0.3
79.05498	0.6
81.03416	1.1
81.07055	1.3
83.04984	1.0
84.08157	0.4
84.54285	0.3
85.02910	0.7
86.09707	100.0
86.74319	0.3
91.05478	2.9
93.07033	0.5
95.04965	0.5
97.02898	1.2
98.97579	1.7
99.04404	0.4
105.07044	0.7
107.04978	0.8
107.08602	0.5
115.05433	1.2
116.06268	0.4
116.98672	0.7
117.07014	1.4
119.04949	0.4
126.50234	0.3
128.06236	2.1
129.07018	3.4
131.04912	1.4
131.08537	1.5
132.10208	3.5
137.05902	0.4
141.06984	2.7
142.07787	0.4
143.08530	0.9
144.05711	4.8
145.06508	3.8
145.07590	0.5
145.10117	0.6
149.05992	0.4
154.13475	0.3
156.83571	0.3
157.06505	6.4
157.10117	0.5
158.07227	1.3
159.08046	2.8
161.09610	1.1
168.54607	0.3
169.06445	1.4
170.07230	1.0
171.11775	0.5
173.02885	0.4
173.06004	3.9
175.07547	0.6
177.05392	0.6
177.09065	0.3
185.06013	5.8
185.09628	6.8
187.05844	0.7
187.07545	11.7
199.11145	0.9
199.18010	1.6
202.06346	0.5
203.04063	0.4
203.05290	0.6
203.07040	10.2
217.08521	0.7
223.32901	0.3
227.10648	2.0
245.04453	0.7
245.08093	2.3
245.11662	10.4
245.15678	0.5
245.16074	0.4
245.18628	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.28727	0.2
55.01876	1.2
55.05504	0.6
56.05024	0.4
56.96567	1.4
57.03440	0.4
57.05804	0.4
58.06600	0.4
61.02928	0.3
67.05518	0.3
69.03435	0.7
69.07070	10.9
69.62995	0.4
69.63395	1.3
73.02918	0.4
79.05482	0.4
81.07066	0.4
83.04985	0.8
84.96104	0.3
85.02892	0.3
86.09706	100.0
89.03914	1.0
91.05497	1.2
93.07068	0.3
95.04941	0.3
97.02871	0.4
98.20734	0.5
98.97584	2.5
103.05489	0.3
105.07005	0.4
109.10133	0.3
110.97586	0.3
115.05466	1.0
116.98643	1.4
117.03382	0.9
121.10128	0.2
128.06212	0.8
128.98572	0.3
129.07004	2.7
131.04910	0.3
131.08598	0.4
132.10219	1.9
133.98611	0.2
134.03645	0.2
134.99603	0.4
135.08089	0.3
139.05411	0.4
141.02225	0.4
141.06990	0.5
142.03249	0.3
143.00189	0.4
143.04950	0.3
145.02824	0.5
145.06393	0.3
149.05989	2.0
155.04884	0.4
155.06110	0.3
156.05649	0.2
157.06487	2.5
158.99655	0.4
160.05211	0.4
161.01218	0.3
161.06004	0.5
167.04913	0.7
169.06473	0.5
170.99670	0.4
171.03210	0.6
171.08076	0.4
174.06760	1.1
175.07530	2.0
177.05467	1.1
184.05200	0.3
185.06021	1.5
187.07489	0.5
189.04355	0.7
189.09085	2.0
195.04379	0.2
199.07520	0.7
199.17982	0.8
202.06224	0.4
203.07030	1.0
204.06493	0.6
213.05421	0.7
213.07115	0.7
215.07085	0.6
217.08586	3.1
227.07021	0.8
245.04453	0.9
245.08093	8.0
245.13356	0.9
245.18585	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.6
55.05512	21.9
55.42699	1.0
56.96566	3.1
57.07078	7.5
67.05509	23.7
69.03444	1.1
69.07072	25.8
71.04979	1.9
71.08625	3.7
71.61222	1.3
79.05494	19.5
81.07062	47.1
83.04990	3.1
83.08630	9.5
85.02922	1.4
85.10163	1.3
91.05480	24.1
93.07050	36.1
95.04971	3.1
95.08610	55.6
97.10181	8.0
98.97584	8.4
100.11238	1.7
103.05440	1.1
105.07034	42.2
107.08596	39.4
109.06518	1.2
109.10163	28.9
111.11720	2.6
116.98629	2.5
117.07021	5.6
119.08587	40.5
120.31207	1.1
121.10149	27.9
123.11707	13.1
124.99132	1.5
128.06198	2.7
129.07013	4.2
131.08563	20.4
133.10136	34.2
135.11700	26.0
137.05975	1.9
137.13245	6.6
142.03220	1.5
142.07797	3.2
143.00194	1.3
143.08554	9.3
144.09383	1.5
145.10138	16.2
147.07939	1.4
147.11690	30.1
149.13255	26.2
151.14821	3.3
155.08546	1.3
156.09343	2.1
157.06467	1.3
157.10133	14.6
158.10960	1.2
158.99644	1.2
159.11688	12.4
161.01222	1.7
161.09615	2.5
161.13243	21.4
163.14827	16.8
169.10139	1.8
170.10918	1.8
171.08051	1.3
171.11703	6.8
173.13245	3.2
175.07515	1.7
175.14841	21.6
177.16405	2.8
183.11769	1.7
184.12486	1.4
185.09621	2.1
185.13258	3.4
187.11192	1.4
187.14839	1.6
189.07698	2.1
189.09113	2.6
189.16389	25.9
199.11287	2.1
199.14816	28.5
201.16405	5.6
203.10632	2.5
203.14561	1.2
203.17958	6.2
209.13390	1.3
209.15346	1.2
211.34258	1.1
217.15860	2.7
217.19530	2.4
219.01961	1.2
227.14330	5.5
230.05759	1.2
245.04677	3.0
245.08156	6.2
245.11632	2.3
245.13158	0.9
245.15416	25.4
245.18752	3.9
245.22655	100.0
246.22934	1.3
249.02840	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.3
58.06588	10.9
60.08165	4.1
69.03414	6.3
69.40261	5.8
69.40671	21.5
70.06583	5.9
82.06577	6.2
84.04478	4.3
84.08144	4.7
85.02908	5.7
95.01292	2.8
100.07610	18.5
101.00878	20.2
113.00851	4.2
113.02396	4.5
114.05527	4.8
115.02385	3.0
118.08685	6.6
119.01921	40.9
128.07144	5.1
131.01895	8.2
131.45775	2.8
137.02933	5.4
140.07106	7.8
143.01910	6.9
145.03442	9.7
145.04625	2.6
155.01901	14.0
155.11739	4.7
157.03482	9.1
161.02950	9.3
165.57051	2.8
167.01927	10.7
171.05069	3.6
173.02998	16.2
179.01942	3.2
183.67863	2.8
185.02979	29.1
187.04478	5.7
197.02951	10.3
199.14418	32.0
203.04086	6.7
221.04997	6.8
227.03857	3.1
227.10431	3.8
245.05028	15.4
245.06342	11.5
245.11432	4.9
245.12131	5.3
245.14973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05503	1.4
56.05012	2.1
56.96563	1.7
57.03411	1.3
58.06573	4.4
58.99850	2.2
68.98276	2.6
69.03408	4.7
69.64876	6.8
70.06602	6.7
70.99825	4.1
71.04971	1.9
72.08133	1.2
73.02897	2.5
74.06053	1.7
77.00887	2.8
81.03391	4.0
82.06551	2.7
82.99839	5.8
83.04968	2.2
84.04481	3.5
84.08128	3.1
85.02899	5.7
86.06054	1.6
86.99300	3.5
89.00880	2.8
91.05440	1.2
93.52767	1.1
97.02885	9.2
98.97567	2.6
100.07635	5.5
100.11206	3.1
101.00884	60.6
102.00920	1.7
103.02412	2.6
105.00347	3.1
107.04908	1.3
109.02843	1.9
113.00866	8.6
113.03499	1.2
114.05489	3.2
115.02456	6.7
116.07072	1.9
116.98589	1.7
118.08619	3.2
119.01921	100.0
120.01977	2.8
121.03460	1.1
127.02445	6.3
127.03869	2.4
128.03415	1.5
128.07031	3.5
129.00291	1.3
129.03935	4.2
129.10127	1.0
131.01030	1.5
131.01906	26.5
133.03482	6.3
137.00771	2.9
137.02977	8.5
139.02359	5.0
140.06985	2.1
141.62476	1.2
142.03424	1.9
143.01901	21.9
145.02431	2.2
145.03467	31.5
147.01317	3.7
147.04982	4.2
149.02864	3.4
153.03838	1.2
154.04689	1.5
155.01889	38.9
155.11739	2.1
157.02254	1.4
157.03484	27.0
158.99565	1.2
159.04971	1.8
161.01703	1.8
161.02969	34.2
163.04463	3.2
163.54437	1.5
167.01898	19.7
169.03404	4.5
171.05067	6.8
173.02962	38.7
174.02814	1.6
174.04097	1.9
175.04572	7.6
179.01915	7.2
181.09842	1.3
184.04530	1.2
185.02960	96.6
186.03014	1.7
187.04504	7.8
191.03981	2.7
197.01222	1.7
197.02962	31.4
198.98476	1.3
199.04314	2.0
199.14420	12.2
203.02306	1.7
203.04022	24.3
206.05812	1.6
208.04526	2.8
209.03023	1.3
215.04041	10.8
221.05096	14.0
222.05139	3.5
227.03941	6.0
227.10246	1.6
240.06181	1.7
242.77484	1.2
245.04967	50.0
245.11272	2.3
245.12318	2.4
245.14955	39.1
245.18527	2.2
246.05402	1.3
263.05881	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	1.6
56.96545	4.3
57.03424	2.6
58.06590	2.6
58.99867	2.7
59.07373	1.8
60.08148	1.6
61.02914	2.2
68.98276	2.9
69.03408	5.2
70.06599	7.7
70.72689	1.2
70.73039	3.2
70.99846	3.5
71.04963	1.8
72.08145	1.9
72.77155	1.0
73.02904	2.5
77.00891	3.4
81.03412	2.9
82.06574	2.6
82.99840	5.6
83.04978	2.2
83.06115	1.3
84.04511	2.7
84.08119	5.1
85.01435	1.3
85.02914	7.1
86.06081	1.4
86.99339	3.0
89.00878	2.9
94.99819	1.5
95.04948	1.2
97.01405	1.7
97.02883	8.7
98.97572	2.7
99.04406	1.6
100.00114	1.5
100.07638	6.3
100.11248	2.9
101.00885	69.5
103.02387	2.6
105.00359	2.0
109.02856	3.1
111.04427	1.2
113.00868	13.1
113.03451	2.1
114.05510	1.9
115.02432	7.7
116.07067	1.7
116.98595	1.8
118.01045	1.4
119.01923	98.2
120.01992	1.8
121.01549	1.4
124.07596	1.3
125.07145	1.6
127.02419	6.2
127.03898	2.5
128.07059	2.0
129.00235	1.6
129.03947	5.2
131.01909	31.5
133.03439	8.2
137.00772	3.9
137.02991	10.1
139.02383	5.2
140.07062	1.6
142.03413	3.0
143.00153	1.2
143.01903	30.4
145.01701	1.6
145.02397	1.7
145.03471	33.6
146.03625	1.3
147.01352	4.3
147.04996	3.7
149.02942	2.7
153.03879	1.3
154.54869	1.9
155.01897	47.6
155.04640	1.4
155.11801	1.7
156.01825	2.3
157.03470	28.8
161.02948	40.3
162.03059	1.5
163.03070	1.6
163.04443	8.8
164.04648	1.2
167.01901	22.9
168.05095	1.3
169.03429	6.1
171.05026	7.8
173.02965	51.8
174.03030	2.4
175.04521	11.7
179.01894	11.6
181.05296	1.4
185.02963	100.0
187.04530	12.6
188.92513	1.2
191.03983	3.3
196.04550	2.5
197.02968	33.8
199.04430	1.7
199.14452	9.0
201.06139	1.2
203.03995	30.1
205.05684	1.8
208.04495	2.5
208.51917	1.3
209.02892	1.7
215.04056	10.7
217.05606	1.7
221.05057	21.3
222.05171	3.9
227.03937	5.2
227.10277	1.8
240.06219	3.7
245.05008	61.4
245.11537	2.2
245.12152	2.4
245.14941	25.3
245.18753	1.5
263.06076	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	243.1955
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
55.05510	45.8
56.96534	8.8
57.07069	17.7
67.05508	54.6
69.03399	5.2
69.07060	26.2
70.79250	13.0
71.04983	13.9
71.08646	8.2
74.70074	5.4
75.63609	4.4
79.05475	18.9
81.07062	90.5
83.04984	8.6
83.08618	53.1
89.38523	5.5
91.05478	13.1
93.07034	17.9
95.08610	100.0
97.10162	28.5
105.07009	15.7
107.08596	24.5
109.10166	60.9
111.04430	5.1
117.07004	7.9
119.08574	16.8
121.10125	14.9
123.11672	35.1
131.08527	15.3
133.10132	17.9
135.11702	6.3
143.08629	6.9
145.10078	13.1
147.11690	11.2
149.13203	6.1
155.08400	6.4
159.11717	12.4
161.13324	5.8
169.10156	6.3
173.13228	13.1
179.17944	12.1
183.11650	8.7
187.14809	8.8
189.16382	22.3
197.13202	7.0
203.26938	6.1
213.20427	5.2
243.13783	17.9
243.17372	23.4
243.19518	37.5
243.21323	18.6
243.28711	20.8
258.40195	5.6
263.81876	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03945	3.1
53.47725	0.9
55.01873	1.5
56.96553	1.5
57.03424	1.4
59.88485	0.9
59.92051	1.0
61.02930	8.2
62.56884	0.9
65.03947	8.2
67.05497	4.4
68.99802	1.2
69.03413	2.3
70.84718	1.2
70.85040	2.4
71.92174	1.0
77.03927	0.9
79.05491	5.0
81.03389	2.1
81.07060	4.8
82.04202	2.4
82.34504	0.9
83.04980	1.2
84.94142	1.0
85.02911	5.0
88.20012	0.9
91.05489	16.2
93.03423	1.8
94.04164	1.6
95.04971	14.3
97.02905	2.5
97.06528	3.7
98.97574	2.6
103.05468	1.3
105.03383	4.2
107.04945	11.5
108.02126	1.5
109.02889	1.2
109.06522	15.1
110.03677	3.4
111.04467	1.8
116.98692	1.5
119.04934	4.5
121.06493	1.4
123.04440	14.6
125.02357	6.2
125.05976	2.3
133.02864	11.9
135.04420	4.8
137.05978	22.6
140.04686	100.0
142.02658	2.1
146.03677	1.5
147.04375	6.5
149.05977	1.3
152.04688	2.0
153.05482	3.7
155.07033	87.8
163.03915	4.1
165.01869	1.0
165.05484	16.4
167.07066	2.2
169.04990	1.3
171.06508	4.2
173.08112	4.4
179.07027	10.5
180.04153	15.0
181.04964	70.2
182.05687	1.4
183.06456	2.7
184.03705	1.4
193.04962	23.4
195.06526	12.0
196.07420	1.1
197.06305	1.2
197.08041	8.2
201.24072	1.1
207.06540	22.4
207.08369	2.1
225.07590	17.7
243.08603	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	243.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52021	2.3
53.03954	6.0
55.01869	13.8
55.05516	25.4
56.20641	2.4
57.03430	15.3
58.59378	2.7
61.02924	4.2
65.03938	3.4
65.55203	3.0
67.05513	17.0
69.03432	100.0
69.07063	6.5
69.43304	21.1
71.01347	9.9
71.05005	16.5
73.02919	5.9
79.05479	15.6
81.03419	10.5
81.07055	14.3
83.01314	3.0
83.04982	99.3
85.02906	44.4
87.04479	10.7
91.05489	10.1
93.07043	7.0
95.04971	23.7
95.08610	11.2
97.02895	58.9
97.06542	4.4
99.04453	10.4
101.06017	5.6
105.07051	10.6
107.04963	6.4
107.08600	5.3
109.02865	4.5
109.06540	9.5
111.04448	74.8
113.02345	2.7
113.06021	9.3
115.03912	14.0
117.07014	6.5
119.08543	12.3
121.02885	6.0
121.10147	6.3
123.04427	11.1
123.08068	4.1
123.11732	3.5
125.05990	3.9
127.03917	6.0
129.05482	9.7
129.07008	3.8
131.08556	7.7
133.10123	6.3
135.04390	6.0
137.05998	10.2
139.03889	36.7
141.05501	3.9
145.10133	13.6
147.11661	4.9
151.03923	5.8
151.07539	5.6
153.05481	9.4
155.08568	4.2
157.04948	3.0
157.10091	5.5
159.11696	12.0
161.13304	4.7
165.05469	7.3
169.04985	5.6
171.11713	5.5
173.13330	13.8
179.07004	4.4
181.04884	2.6
185.09647	3.0
185.13257	3.2
187.14845	9.2
197.13359	4.1
201.16418	4.8
225.07607	11.0
243.08585	19.8
243.13814	6.1
243.17415	8.0
243.21111	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02397	1.2
53.03933	3.4
55.01846	1.5
56.96569	8.5
57.03440	2.2
59.98861	1.1
60.20421	1.1
61.02928	13.1
65.03949	7.5
67.05501	5.8
67.55611	1.3
69.03430	6.8
69.84861	2.0
69.85268	4.4
71.04990	4.4
73.02905	1.3
77.03910	1.5
78.55664	1.2
79.05485	7.2
81.03413	4.2
81.07038	6.3
82.04202	2.6
83.04967	1.1
83.77366	1.2
84.96021	1.6
85.02912	10.3
86.09702	1.3
87.13990	1.1
90.94844	1.4
91.04955	1.6
91.05486	21.4
93.03409	2.3
94.04186	1.5
95.04964	15.7
95.08617	1.6
97.02879	5.4
97.06528	2.9
98.97597	13.1
105.03398	2.6
105.07060	1.1
107.04949	10.8
109.02882	1.7
109.06519	16.7
110.03660	5.0
110.97565	3.1
111.04439	4.6
116.98634	3.2
119.04963	6.1
121.02834	2.1
121.06506	3.1
123.04425	18.1
125.02368	8.0
125.05994	3.6
128.98550	2.2
133.02832	12.7
134.99632	1.3
135.04404	5.1
137.05969	30.0
138.03131	2.0
139.03868	2.1
140.04683	100.0
142.02586	1.9
143.00182	1.5
146.03627	1.4
147.04378	8.7
152.04648	2.6
153.05452	4.6
153.18797	1.2
154.06236	1.5
155.07030	93.9
158.99658	2.7
161.01114	1.3
163.03888	5.5
165.01799	1.7
165.05470	21.0
167.02824	2.4
167.07040	2.0
169.04950	3.1
171.06563	3.0
173.01233	1.7
173.08101	3.9
176.03392	2.4
177.00760	2.4
178.03902	1.8
179.07031	12.1
180.04176	21.6
181.04956	70.4
183.06532	4.7
189.00789	2.5
193.01900	1.4
193.04958	29.3
195.06519	12.4
197.08055	11.3
197.10829	1.9
201.00690	1.5
205.59769	1.2
207.06543	25.5
211.02786	1.6
219.01791	5.1
222.04631	1.7
225.07564	19.4
225.09627	2.0
231.05173	11.3
237.02768	2.7
243.06313	1.5
243.08524	13.0
243.10802	2.3
254.01038	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	243.0863
Annotation	(+)-Butalactin
Peak:m/z	Relative Intensity
53.03948	2.9
53.44727	2.3
55.01881	10.3
55.05506	23.2
57.03428	11.1
57.81417	2.1
67.05500	11.7
69.03429	100.0
69.07047	2.9
71.01348	8.6
71.05003	10.7
71.62265	4.7
73.02915	5.1
77.21217	2.0
79.05486	8.1
81.03427	15.3
81.07042	8.9
83.04980	88.1
85.02900	42.7
87.04463	10.7
91.05487	5.0
93.07054	5.1
95.04965	18.4
95.08603	8.9
97.02892	48.4
97.06528	5.0
97.10207	2.7
99.04449	8.7
101.06001	5.3
105.07044	8.1
107.04977	4.9
107.08596	8.3
109.02868	7.0
109.06529	7.4
111.04444	70.2
113.02353	3.1
113.06004	7.3
115.03935	9.4
119.04932	2.1
119.08623	4.4
121.02927	2.3
121.06487	3.1
121.10116	3.7
123.04441	10.8
125.05978	3.6
127.03915	5.1
129.05484	5.9
131.08559	8.4
133.06462	2.6
135.04437	4.1
137.06013	6.3
139.03909	26.7
141.05437	2.8
145.10118	7.6
147.11667	6.3
149.13266	2.9
151.03877	3.7
151.07581	2.2
153.05440	8.1
155.06953	2.8
155.08684	3.5
157.05028	3.2
157.10085	2.9
158.10965	2.9
159.11679	8.9
161.13199	3.4
165.05525	3.3
169.42053	2.2
171.11829	3.1
173.13237	12.5
179.06998	5.8
181.04921	4.1
183.06549	2.7
185.13197	2.5
187.14815	9.0
201.16435	2.9
207.06561	4.0
225.07610	8.0
243.08542	15.1
243.13803	6.2
243.17419	4.3
243.18607	3.3
243.21077	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03931	2.4
55.01861	3.2
55.05510	32.4
56.96559	5.4
57.03420	5.9
57.07069	16.5
59.74404	2.1
65.03933	4.5
67.05505	40.3
69.03423	9.9
69.07066	62.7
70.64963	7.1
71.04987	27.9
71.08627	3.5
78.08607	2.1
79.05497	29.1
81.07053	72.6
83.04981	6.6
83.08615	37.9
85.02933	2.2
85.06543	58.2
85.10218	2.2
88.07642	2.4
91.05480	42.0
92.05801	14.1
93.07047	51.6
95.04995	3.0
95.08605	100.0
96.08945	2.2
97.02871	4.4
97.06531	22.3
97.10168	24.1
98.97589	3.0
99.08092	14.9
105.07030	20.5
107.07851	4.0
107.08592	83.4
109.06511	3.3
109.10152	66.7
111.08051	14.6
111.11736	3.2
113.09631	6.2
116.98668	3.5
117.07043	6.4
119.08588	17.2
121.10140	82.2
123.08064	5.4
123.11705	65.0
125.09626	8.3
125.13207	2.5
126.99265	2.1
128.06261	3.6
129.07007	8.3
131.08585	16.1
133.10112	5.2
135.11684	42.0
137.13286	14.6
139.11177	5.4
139.14807	4.2
141.09004	3.6
143.08548	11.7
145.10109	27.2
147.11679	28.9
149.13268	47.3
151.14877	2.9
153.12758	4.8
156.09375	5.4
157.10124	11.7
159.11652	5.3
163.14828	21.2
165.16376	5.6
167.14310	30.8
171.07994	2.6
171.11688	17.2
173.13304	4.3
177.16418	7.2
179.17949	8.3
181.15927	8.4
182.10463	3.5
185.09680	2.6
185.13222	11.7
187.14813	26.2
199.14833	9.8
205.15927	6.7
205.19510	52.1
211.89679	2.1
223.14900	4.5
223.17014	36.0
223.20535	65.7
223.22685	4.3
241.08710	4.0
241.12143	4.7
241.14197	6.0
241.16011	4.6
241.19484	42.7
241.21675	48.5
241.23610	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21411	0.4
56.96558	0.8
62.77258	0.4
63.59507	0.4
65.09207	0.5
70.04575	2.2
82.99855	1.1
96.74656	0.5
98.21427	0.7
98.97571	4.8
101.00885	7.9
105.13802	0.4
116.98598	2.4
119.01929	12.0
134.99817	1.6
137.02937	1.4
140.98851	1.1
142.03503	0.6
152.46376	0.4
157.49458	0.5
158.99872	4.6
175.03052	0.5
177.00954	20.5
177.46573	0.5
178.00974	1.1
178.93396	0.7
182.99849	1.3
190.00389	0.5
191.02560	0.5
196.94505	7.8
197.47763	0.7
201.00940	3.7
202.01003	0.5
214.95544	14.4
215.95753	0.6
217.04105	2.8
219.02002	25.5
219.96103	1.4
220.02127	3.2
225.01009	1.8
228.98790	0.5
232.96628	5.4
237.97151	7.8
243.01987	11.4
255.98199	2.4
256.96625	1.3
258.96280	0.5
261.03064	100.0
262.03079	1.1
263.03397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2161
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.01864	4.7
55.05509	55.1
56.96567	3.7
57.03414	4.3
57.07079	54.1
61.52967	2.5
67.05507	32.2
69.03426	4.2
69.07069	100.0
71.04987	8.7
71.08633	32.8
71.61456	3.1
73.06564	4.5
76.65818	2.3
79.05499	21.4
81.07055	51.0
83.04976	7.7
83.08617	54.2
85.06548	6.8
85.10175	13.3
87.08107	2.6
91.05471	5.9
93.07043	35.7
95.04939	3.8
95.08604	41.2
97.06544	21.0
97.10176	34.6
98.97578	3.3
99.08082	4.6
101.06029	5.5
101.35577	3.0
105.07019	4.1
107.08589	30.3
109.10152	21.8
111.08070	9.9
111.11718	9.6
115.07577	7.1
118.95927	2.4
119.08590	5.2
121.10152	35.3
123.11690	15.2
125.09624	14.2
127.11238	4.2
129.06966	3.1
129.09119	4.5
133.10188	3.7
135.11693	31.3
137.13226	3.9
139.11166	14.1
143.08568	5.2
145.10114	10.5
149.13263	27.7
153.12753	12.0
157.10144	6.3
157.12201	3.3
163.14796	8.3
165.16345	2.7
167.14313	7.2
171.11700	8.6
178.35414	2.5
185.13260	11.4
199.14865	4.3
205.19521	40.1
223.20567	22.6
241.15942	5.3
241.19562	27.2
241.21686	4.6
243.93427	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	241.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52897	0.8
53.03944	4.3
55.01876	5.2
55.05508	2.9
56.15509	1.1
57.03439	6.4
57.17804	0.8
57.20647	0.8
59.04985	0.9
59.87287	0.7
67.05492	4.4
68.99813	0.9
69.03429	100.0
69.07069	4.3
71.01356	1.5
71.04989	3.8
71.38599	0.7
71.61137	1.4
73.02922	4.6
79.05490	5.3
81.03416	20.7
81.07047	6.2
83.04987	5.1
83.08617	1.4
85.02901	11.1
85.06535	1.3
87.04459	1.8
91.05472	4.5
93.07042	3.1
95.01321	2.3
95.04961	8.3
95.08608	3.7
97.02895	50.6
99.04456	9.3
101.02402	1.9
102.44028	0.9
103.03883	0.9
103.05483	1.3
104.23560	1.0
105.07040	1.7
107.04935	3.1
107.08577	2.2
109.02888	12.0
109.06558	1.0
109.10147	2.4
111.04450	4.8
113.02403	1.0
115.03931	3.2
119.04958	1.4
119.08588	1.5
121.02873	2.0
121.06522	3.2
121.10136	2.6
123.04439	6.4
123.11702	1.5
125.02362	3.1
127.03911	11.3
131.04942	1.1
133.10143	1.4
135.04410	2.7
135.11673	0.9
137.06061	1.0
139.03903	1.4
143.08524	1.2
145.04997	2.6
145.10175	2.4
147.04425	1.1
149.02318	1.2
149.05980	2.8
151.03888	2.1
157.10114	2.0
159.11766	1.1
163.03923	1.4
165.05579	1.2
167.07089	0.9
171.11713	2.9
173.04478	1.2
177.05461	1.9
181.04985	1.5
181.12329	1.2
185.09618	1.1
185.13240	1.5
199.03758	0.9
205.19518	0.9
213.16260	1.4
223.16930	1.1
241.06688	8.4
241.08986	2.6
241.12326	1.3
241.15810	2.7
241.19672	6.1
241.21645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01867	1.8
55.05514	1.7
56.96566	7.0
57.03437	4.7
58.06602	20.9
61.02926	3.4
65.03945	1.4
67.05510	1.7
69.03439	8.2
69.07082	1.1
69.65984	1.9
69.66405	4.2
70.03722	1.0
70.06589	2.4
71.04974	2.2
72.08157	1.0
73.02925	5.3
73.06557	1.1
74.47926	0.8
76.07639	10.8
79.05472	1.3
80.05035	1.2
81.03432	3.7
81.07066	2.5
83.04980	1.3
83.67117	1.0
84.08154	5.8
84.96057	1.4
85.02908	12.6
85.06552	1.0
86.03268	2.1
86.09733	0.8
87.04489	1.8
88.66680	0.8
91.05479	11.7
92.05038	0.8
93.07045	6.6
95.04974	15.9
97.02889	9.8
98.09690	1.0
98.97597	10.0
99.04472	1.2
101.00864	1.8
103.05492	3.2
105.04574	1.1
106.06562	2.0
107.04959	11.3
108.04494	1.1
109.02898	1.8
110.06063	2.5
110.97610	1.9
111.04463	1.0
113.05977	0.9
115.03955	0.9
116.07137	1.2
116.98597	5.0
119.01904	4.7
119.04945	25.9
119.05755	1.6
120.05757	2.6
121.06510	35.0
123.04440	50.7
123.06828	3.0
127.03958	4.0
128.02402	1.2
128.98642	2.9
129.10251	1.1
130.02815	1.5
131.01888	2.4
131.08521	2.4
131.29352	0.8
133.05241	2.3
133.06531	1.1
134.06024	20.0
134.06956	1.3
135.04454	1.8
135.06799	1.6
136.06213	9.2
136.07552	9.8
136.08347	0.9
136.93184	3.1
137.06010	2.9
138.96503	1.2
140.02431	1.1
141.07014	1.3
143.00159	2.0
143.01927	2.1
144.05727	1.8
145.01700	1.5
145.03416	1.1
146.02402	1.2
146.06068	3.9
146.99649	1.6
147.04408	17.3
147.06805	3.4
147.08041	1.9
148.06174	0.9
148.07603	2.8
150.05548	3.8
150.09180	1.6
152.07095	3.4
154.94193	7.4
155.04706	1.1
156.97479	12.7
157.03456	1.0
158.99718	4.1
159.08102	2.6
161.01299	2.9
161.03009	2.5
162.06609	1.5
163.02719	1.0
163.03960	3.5
165.05481	20.9
166.08699	0.9
170.99710	1.6
171.04909	1.0
172.95251	9.9
173.02948	1.4
174.04405	1.3
174.98508	10.8
175.02768	1.1
175.04572	2.0
176.10712	47.0
177.00760	1.6
179.07054	1.1
182.03415	2.5
182.53717	1.2
182.99600	1.1
189.00731	1.6
190.96295	2.2
191.03932	3.0
194.08153	6.3
194.11777	100.0
196.09756	5.0
198.98601	8.9
201.00784	1.5
203.04164	1.3
208.03236	1.4
208.05040	3.9
214.96469	2.3
216.99637	14.3
217.01895	1.2
217.05585	3.0
219.01773	1.1
222.11217	14.2
222.12943	1.3
237.02840	1.3
239.99474	2.9
240.03802	0.9
240.06422	4.8
240.08804	15.8
240.12418	55.6
240.23268	1.1
241.15482	36.4
244.97214	1.0
245.05051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03939	3.9
55.01868	4.4
55.05512	21.5
56.96562	2.9
57.03429	2.3
57.07081	7.9
59.04999	3.1
65.03963	2.2
67.05502	23.9
69.03435	5.1
69.07072	24.1
69.95288	7.9
71.04996	24.4
73.06541	1.9
76.31939	1.5
79.05494	31.0
81.03433	3.4
81.07057	100.0
83.04983	29.8
83.08608	10.0
84.22310	2.1
85.02908	3.2
85.06543	12.9
89.06039	2.5
91.05476	12.2
93.07047	36.2
95.04980	9.7
95.08610	50.7
97.02895	2.6
97.06528	11.7
97.10191	4.8
98.20757	2.4
98.97581	2.1
99.04476	4.8
99.08080	10.5
101.06011	4.0
105.07037	26.1
105.07688	3.0
107.04964	2.8
107.08592	43.9
109.06509	4.0
109.10154	40.8
111.04450	7.1
111.08073	7.9
111.11718	2.5
113.05961	3.6
115.05485	2.9
117.06950	1.9
118.25602	1.6
119.08588	21.5
121.06484	2.2
121.10136	16.7
121.92461	1.7
123.04446	2.9
123.08062	5.2
123.11716	27.6
123.12558	2.6
125.05962	2.0
125.09594	4.0
127.03884	2.4
127.11225	4.5
131.08607	2.1
133.06471	7.4
133.10101	18.4
135.11691	44.9
135.97743	1.6
137.05943	3.2
137.09644	5.2
137.13255	7.3
139.07553	1.7
139.11180	3.3
139.43092	1.7
141.12761	3.9
143.08620	1.8
145.10196	2.3
147.11700	13.9
149.06017	1.9
149.13283	4.4
151.07550	3.9
151.11182	4.6
151.14873	2.7
153.05525	3.5
153.12746	44.2
157.04999	2.3
157.10185	4.0
158.34128	1.9
161.06039	8.8
161.13269	7.8
163.14822	4.4
165.09174	2.9
165.12857	2.3
167.07050	7.0
169.10144	2.9
175.11115	1.9
175.14810	4.5
176.71814	1.6
177.16417	5.9
178.06361	1.9
179.07092	2.3
183.11679	3.4
191.17970	5.5
193.08649	3.5
195.06526	1.9
197.13280	5.0
203.10770	2.4
203.17986	19.3
207.02934	5.2
209.18869	4.0
211.07501	1.9
221.08249	3.9
221.11623	2.6
221.18961	15.6
239.08965	47.2
239.12611	2.7
239.14532	2.1
239.17975	9.9
239.19992	15.5
241.42932	2.0
257.97659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.83817	2.1
53.03932	5.7
55.01856	7.1
55.05510	27.9
57.03432	3.8
57.07061	7.8
58.79593	2.1
59.04986	8.5
64.30503	2.5
65.03920	3.6
67.05504	48.3
69.03413	9.7
69.07068	50.6
71.04983	14.6
71.40413	4.0
72.70922	1.8
72.81813	2.2
73.30334	2.3
79.05488	36.4
81.03418	5.1
81.07056	100.0
83.01330	2.8
83.04987	20.7
83.08619	15.7
85.06551	11.8
91.05486	30.5
93.07043	67.6
95.04972	13.1
95.08604	77.0
95.19286	2.5
97.06530	18.1
97.10145	8.8
98.97546	2.2
99.08098	5.3
103.05424	2.6
105.06368	4.1
105.07032	61.6
107.04961	3.5
107.08594	65.1
109.06506	16.7
109.10158	56.2
109.10903	3.0
111.04424	4.4
111.08076	13.7
111.11705	3.3
115.05468	2.1
117.06983	16.6
119.08578	54.6
121.06499	11.9
121.10146	60.0
123.08100	13.3
123.11701	23.8
125.09620	7.0
127.07584	3.6
127.11169	3.6
130.07773	6.5
131.08569	31.1
133.10123	33.5
135.08052	11.5
135.11694	43.2
137.05907	2.8
137.09608	7.6
137.13252	5.0
139.11200	6.0
143.08586	4.1
144.09341	5.0
145.10121	60.7
147.11696	24.9
149.09590	13.3
149.13280	16.4
151.11192	9.7
157.10074	4.0
158.10808	2.5
159.08058	3.3
159.11690	50.5
161.13261	34.0
163.11203	35.1
163.14815	4.1
165.06917	3.8
167.10716	2.3
169.42897	2.3
173.13240	9.7
175.14865	6.7
177.12750	9.8
177.16356	9.7
179.14348	3.3
181.08627	2.6
181.12251	5.0
189.16389	9.6
191.10594	3.0
191.14325	8.6
191.17949	9.9
193.10147	5.0
195.11690	5.5
195.13681	2.6
201.16380	55.6
207.17421	2.4
209.13205	2.7
212.68941	2.3
219.10120	3.0
219.13808	9.8
219.17441	66.5
219.20819	2.9
237.07448	5.5
237.11098	22.2
237.14766	9.6
237.16437	10.0
237.18488	65.8
237.22116	6.8
243.34984	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
50.98633	1.2
53.03929	3.6
55.01860	3.8
55.05514	81.5
56.96558	5.2
57.03437	7.3
57.07077	36.2
65.03938	2.3
67.05508	56.2
69.03426	3.0
69.07070	100.0
70.72440	2.4
71.04994	7.9
71.08635	14.1
79.05495	30.2
81.07060	87.0
83.04975	8.7
83.08622	79.8
85.06551	8.5
85.10187	5.5
87.08098	1.5
91.05480	7.1
93.07050	52.4
95.04938	1.8
95.08610	76.6
97.06535	19.1
97.10176	48.4
99.08089	8.6
105.07047	4.5
107.04968	1.3
107.08600	41.7
109.06535	1.4
109.10159	38.4
109.12217	1.2
111.04430	3.9
111.08069	13.5
111.11721	14.6
113.09631	3.1
119.08566	3.3
121.06529	1.4
121.10146	49.0
121.11021	2.7
123.08031	1.2
123.11713	25.4
125.09618	8.3
125.13283	2.8
127.11198	2.7
133.10144	2.5
135.04364	1.3
135.07999	2.0
135.11703	43.6
137.13271	13.5
139.11159	4.2
144.70291	1.2
149.13258	32.6
151.14798	3.2
153.12733	4.8
154.09808	1.2
163.14833	19.1
165.16353	1.2
167.14313	2.6
177.16356	7.4
180.72392	1.1
181.04985	3.7
181.12314	1.6
181.15846	2.5
191.10652	2.5
191.14287	2.2
191.17932	2.7
193.19519	1.4
201.16272	1.6
209.11751	5.3
219.17715	2.5
219.21092	65.9
237.11230	3.7
237.14697	3.0
237.18715	6.5
237.22137	91.3
255.12585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.23561	1.1
50.49933	1.1
53.03941	3.6
55.01873	5.8
55.05252	1.9
55.05509	21.2
55.26055	1.2
56.96548	2.2
57.03425	2.8
57.07063	4.8
58.69035	1.1
65.03938	2.9
67.05505	42.6
69.03435	10.7
69.07068	25.1
69.91666	1.2
71.04984	3.5
71.05633	1.9
71.05930	1.3
79.05496	28.4
80.39339	1.3
81.03408	7.2
81.07055	100.0
83.04977	18.6
83.08617	17.3
85.02876	2.0
85.06554	2.8
91.05042	1.3
91.05482	14.1
92.48248	1.2
93.07043	43.7
95.04961	8.5
95.08604	64.0
97.06525	20.4
97.10154	6.8
99.04433	1.9
103.05488	1.9
105.07027	17.0
107.04958	8.7
107.08595	37.5
109.02901	1.7
109.06493	9.5
109.09441	2.4
109.10153	34.7
111.04441	13.4
111.08080	30.8
111.11716	2.1
113.05946	1.4
113.09599	1.6
113.15820	1.2
117.06999	5.0
119.08574	18.6
121.02857	1.3
121.06487	3.3
121.10137	40.0
121.11018	2.2
121.57201	1.3
123.08065	10.9
123.11702	30.6
125.05956	2.4
125.09622	5.1
127.07575	1.4
131.08572	10.0
133.10123	15.0
135.08069	6.4
135.11681	22.4
137.05968	3.0
137.09618	11.2
137.13228	1.6
139.07513	2.7
139.11162	3.2
141.09108	1.2
145.10121	16.9
147.11722	6.3
149.02345	13.6
149.03403	1.7
149.06003	1.6
149.09624	10.1
149.13266	19.6
151.11185	3.6
153.12772	2.1
154.39828	1.1
159.11694	13.3
161.09709	1.8
161.13254	20.8
163.07416	1.3
163.11191	6.4
163.14830	4.8
167.10690	7.1
167.11896	1.3
173.13298	7.1
175.14809	3.1
177.09277	1.4
177.12756	10.1
177.16377	7.4
179.08575	1.7
179.14314	7.4
180.09232	1.1
181.10014	1.1
181.12286	2.7
181.15883	2.2
189.16365	10.3
191.14375	4.0
191.17932	4.1
193.04941	6.8
193.10201	1.4
195.11832	2.7
201.12901	1.2
201.16394	16.2
207.11694	2.2
207.17389	7.0
209.15446	1.8
219.13765	5.1
219.17409	21.3
219.20882	2.9
237.07475	11.3
237.12656	1.7
237.14688	13.1
237.16707	4.2
237.18488	93.7
237.21906	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.65564	2.7
53.01905	2.8
53.03962	3.1
55.01859	3.9
55.05516	15.9
57.03423	2.6
57.07060	11.8
59.04993	7.4
67.05505	48.0
69.03428	3.5
69.07061	25.0
69.48007	18.0
69.48418	4.7
71.05008	15.6
77.03908	3.1
79.05493	40.0
81.07061	63.6
82.07639	3.0
83.04971	11.0
83.08626	7.7
85.06522	9.8
91.05496	44.0
93.07047	62.9
95.04967	14.0
95.08611	63.5
97.06517	10.6
97.10169	7.3
99.08077	3.4
105.07035	59.9
107.08594	54.4
109.06509	6.7
109.10159	36.4
111.08057	5.1
113.06010	24.5
117.07036	26.1
119.07800	3.2
119.08593	47.1
121.06480	7.0
121.10146	51.1
123.08074	4.5
123.11691	11.8
129.07042	3.8
130.07814	3.3
131.08575	41.2
133.10147	21.4
135.08009	10.1
135.11697	35.1
137.06007	2.8
137.09634	3.6
139.11163	4.9
143.08458	3.9
145.09026	5.4
145.10123	69.3
147.11668	9.8
149.09641	8.1
149.13239	7.6
151.11205	9.0
157.10182	2.8
159.11691	43.8
161.09305	2.9
161.13251	19.5
163.11182	11.9
163.14755	4.5
173.13268	23.2
175.14781	7.2
177.12741	5.5
181.10139	4.7
181.12257	5.5
191.14297	8.2
191.17941	5.0
195.11697	5.4
201.16391	100.0
219.10078	4.8
219.13858	6.8
219.17430	70.3
237.07504	3.7
237.11005	3.5
237.14534	4.8
237.16408	8.8
237.18481	45.1
237.22044	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03923	5.6
55.01861	4.4
55.05513	25.9
55.84681	2.3
56.96555	9.4
57.03428	7.1
57.07062	5.3
59.04992	6.7
65.03927	3.0
67.05508	34.7
69.03430	14.4
69.07076	24.2
69.34631	23.2
71.04993	30.2
73.02881	3.3
73.80492	2.2
78.82674	2.6
79.05499	32.2
81.03425	2.9
81.07059	100.0
83.04964	11.1
83.08640	14.2
85.02870	3.6
85.06566	11.8
91.05492	29.8
93.07045	82.0
95.04956	11.2
95.08604	49.9
97.02880	5.2
97.06542	13.5
97.10155	5.9
98.97579	33.8
99.04454	4.8
99.08092	11.6
105.07033	46.2
107.08599	53.1
109.06531	18.2
109.10146	32.1
110.97540	4.4
111.04429	2.8
111.08063	10.3
113.06012	3.1
116.98613	11.1
117.06995	8.4
119.08583	31.9
120.08076	4.2
121.02869	6.3
121.06503	7.8
121.10131	33.7
123.08081	14.3
123.11705	35.3
125.09621	8.0
127.07556	5.1
127.11201	6.2
128.98592	4.3
129.06996	5.2
131.08560	18.2
133.06448	4.6
133.10124	56.6
135.08078	13.3
135.11688	18.7
137.05905	2.7
137.09607	8.6
139.11121	4.0
141.07056	2.7
144.09315	4.4
145.06514	3.3
145.10138	25.2
147.11700	21.5
148.67485	2.7
149.05942	3.4
149.09598	5.8
149.13255	12.8
151.11186	46.1
154.03836	9.1
155.10571	4.3
157.10162	2.7
158.99602	10.3
159.08072	4.5
159.11678	25.3
161.09692	4.9
161.13300	13.2
163.07506	6.3
163.11206	9.5
163.14752	3.0
165.12737	2.8
166.08531	4.1
173.09599	5.6
173.13268	16.0
175.11160	3.0
175.14798	7.1
177.00717	5.9
177.05516	3.7
177.09163	4.0
177.12724	7.4
177.16251	3.8
179.10732	5.3
191.06908	5.0
191.10504	4.7
191.14284	7.4
191.17966	7.8
201.12750	6.0
201.16382	29.2
208.67607	2.4
219.10146	12.6
219.13977	12.0
219.17410	46.3
222.89603	2.5
228.10136	6.1
237.02826	2.7
237.07481	5.4
237.10994	7.6
237.14851	21.9
237.18513	56.6
237.22177	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	236.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50542	2.7
55.05497	13.6
56.96564	36.6
57.03418	11.0
57.07078	14.4
59.04990	4.3
60.04527	22.2
61.02927	3.1
64.25610	2.7
67.05495	9.0
69.03435	19.2
71.04996	4.8
71.60383	5.5
73.02912	11.1
73.06542	8.9
73.79395	3.0
81.03438	4.6
81.07046	3.4
84.96016	3.9
85.02917	22.3
85.06546	4.5
87.04467	3.8
91.05483	3.8
92.03156	3.3
95.04946	6.7
97.02911	19.1
98.97596	53.0
99.04449	3.9
105.01929	3.4
106.05030	48.4
110.97587	6.7
113.06033	3.2
115.03960	3.8
116.98601	18.3
119.01834	11.9
127.03889	6.8
128.02283	4.0
128.98590	6.0
131.00156	5.6
133.99536	3.2
134.99632	4.3
143.00153	4.0
145.01717	4.1
146.04086	14.0
146.99605	2.8
147.03232	7.6
152.04187	3.5
154.08607	5.5
155.04648	100.0
155.54796	8.3
157.01791	3.4
158.99658	19.6
160.07755	3.9
161.01242	3.2
161.02826	4.5
161.04701	3.8
164.05220	18.1
164.06364	3.1
165.04369	5.4
175.37378	2.9
177.00674	11.8
182.03358	6.1
190.08672	3.8
191.04001	4.8
191.05695	7.7
200.09177	3.6
205.29213	3.1
206.06302	5.1
211.07907	3.7
213.00620	3.8
213.06010	3.6
215.05829	3.7
218.06346	3.6
218.10217	8.9
219.01801	5.5
227.06764	25.3
231.01653	4.9
231.07158	6.1
236.07257	8.3
236.09186	5.3
236.12881	8.4
236.14914	6.6
236.17256	22.5
236.21016	3.5
237.02731	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	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03932	1.2
55.01875	1.4
55.05510	5.0
56.96546	0.7
57.03423	1.2
57.07072	4.6
59.05003	3.5
65.03915	1.1
67.05160	0.8
67.05502	9.5
69.03408	2.2
69.07072	7.3
71.01331	0.5
71.04995	3.5
71.08594	0.6
71.12320	1.3
79.05491	9.0
81.03392	1.9
81.07056	21.0
83.01300	0.7
83.04977	7.8
83.08609	3.1
85.02425	0.6
85.02901	8.2
85.06550	3.1
85.76850	0.5
85.91170	0.5
91.05470	9.2
93.07046	19.7
95.04974	7.9
95.08044	1.0
95.08606	14.1
97.02901	0.6
97.06530	5.4
97.10146	1.4
99.04451	3.9
99.08056	0.6
100.40033	0.7
103.05444	1.0
105.06399	0.6
105.07036	10.5
107.04942	1.7
107.08595	16.9
109.06516	17.2
109.10159	10.0
110.88611	0.5
111.04426	2.2
111.08089	4.0
113.06007	0.6
113.09657	0.6
115.05476	0.6
117.07008	4.9
119.08588	10.1
121.06503	12.0
121.10147	13.9
123.08070	4.6
123.11699	3.5
125.09607	1.7
127.11085	0.6
129.06976	2.4
130.07787	1.0
131.04921	0.7
131.08569	10.3
133.10133	7.3
135.07100	0.8
135.08061	12.0
135.11684	8.4
137.05983	10.0
137.09621	2.9
139.07539	5.2
139.11168	1.2
143.08591	1.0
144.09332	5.5
145.06473	1.0
145.10121	8.5
147.08026	0.7
147.11659	2.7
147.65816	0.7
149.05991	1.0
149.09604	3.2
149.13269	5.0
151.07544	3.8
151.11237	1.1
153.09091	2.2
157.10085	1.4
158.10843	1.0
159.08058	1.1
159.11688	30.4
161.09613	2.7
161.13278	3.5
163.07538	11.8
163.11166	3.8
163.14818	1.8
164.08340	1.3
165.12708	0.6
167.07066	0.8
173.13283	5.6
175.11183	0.6
175.14813	1.3
177.09094	1.2
177.12758	8.2
177.16316	1.7
179.08786	0.6
179.10602	1.1
181.08594	14.7
181.10150	1.3
191.10703	0.8
191.14384	2.9
191.17896	1.3
192.39053	0.6
193.10083	0.7
195.11673	1.9
195.13646	1.2
201.12682	2.4
201.16400	7.0
207.06548	0.9
219.10115	1.0
219.13847	9.0
219.17395	6.7
219.21010	0.8
237.07579	1.5
237.14819	100.0
237.18262	8.1
237.22104	2.4
238.15163	1.9
238.17928	0.8
255.65948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03954	6.9
55.01859	4.5
55.05518	15.8
57.07073	6.9
58.83484	3.7
66.07921	3.1
67.05499	20.4
69.03423	18.9
69.07060	15.5
70.93628	3.2
70.93970	8.0
79.05490	51.5
81.07056	51.6
83.08644	6.3
91.05486	61.9
93.07044	82.3
95.04968	6.0
95.08614	42.7
97.06530	19.5
105.07028	92.9
107.04957	11.1
107.08594	51.9
109.06539	11.0
109.10154	22.9
109.61823	4.0
111.08085	31.4
117.07011	17.0
119.08580	80.3
121.06509	11.7
121.10148	35.2
123.08066	27.1
125.09670	4.0
128.06229	4.6
129.06993	9.2
131.08597	19.2
133.10135	51.8
135.08043	9.7
137.09602	17.2
142.07794	13.4
143.04907	3.6
143.08546	23.1
145.10109	14.4
147.08043	14.0
147.11697	36.0
149.09633	8.4
156.09346	6.3
157.10130	32.8
159.11699	48.3
161.09622	26.5
161.13255	13.6
162.30815	3.9
171.11702	11.1
173.13268	12.8
175.11243	9.4
175.14853	24.5
177.12723	26.3
186.12495	3.3
189.16396	16.8
199.14783	33.6
217.15898	45.8
235.16919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
52.16123	0.8
53.03935	1.9
55.01862	2.0
55.05511	6.4
55.23012	1.0
56.96566	1.4
57.07072	9.8
59.04982	2.0
63.21004	1.0
65.03938	1.8
67.05160	1.7
67.05501	21.4
69.03438	5.6
69.07069	32.6
70.11523	0.9
70.85896	2.7
71.05011	1.1
71.08585	0.9
73.43939	1.0
77.03898	1.0
79.05486	10.8
80.08611	0.9
81.07057	22.5
83.04972	2.3
83.08610	4.1
84.28007	1.0
85.06537	1.2
91.05480	14.2
93.06535	1.4
93.07046	16.5
95.04984	5.2
95.08608	30.0
97.06535	6.5
97.10168	2.3
98.83847	1.0
98.95776	1.0
99.08096	2.7
105.07033	27.5
107.07867	1.6
107.08593	31.9
109.06519	6.6
109.10155	45.4
111.08080	8.5
115.05492	1.4
117.06932	2.0
119.04888	1.2
119.08578	31.1
121.06477	4.2
121.10139	12.8
123.08053	9.1
123.11679	2.5
125.09613	3.3
128.06209	1.2
129.06958	3.2
131.08609	5.1
133.06479	4.6
133.10133	26.8
135.08020	5.1
135.11671	4.7
137.06012	1.1
137.09612	32.4
137.13264	1.2
142.07739	1.6
143.08566	7.0
145.10141	5.4
147.08031	8.7
147.11696	17.2
149.09612	3.3
149.13310	4.9
151.11176	3.3
153.09087	1.1
156.09380	1.4
157.10132	8.0
159.08040	1.6
159.11674	5.4
160.08818	1.5
161.09627	14.8
161.13280	4.7
162.10393	1.5
163.11250	1.3
165.09181	4.7
171.11713	1.9
173.13268	3.8
175.11188	16.3
175.14761	5.7
176.11963	1.3
177.12779	2.5
179.10657	7.1
189.12793	2.0
189.16379	30.6
191.14320	1.2
199.14845	7.9
207.17468	7.9
217.12451	1.1
217.15868	24.6
217.19231	1.5
235.09694	2.5
235.13127	2.8
235.16920	100.0
235.20708	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	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.36251	2.5
55.01884	2.3
55.05514	25.0
57.03430	8.9
57.07079	29.1
66.26994	2.6
67.05509	41.3
69.07077	30.1
71.04987	6.1
79.05498	18.3
81.07059	63.1
83.08614	11.0
85.06572	5.2
91.05473	18.4
93.07045	44.1
95.04925	4.1
95.08612	100.0
97.06538	7.4
97.10178	11.7
98.21455	8.3
105.07034	36.5
107.08598	52.2
109.06541	4.7
109.10155	89.0
110.07196	2.8
111.08078	7.9
111.11729	2.9
119.08578	52.8
121.06565	3.4
121.10151	47.3
123.08027	4.6
123.11720	35.5
125.09642	8.8
127.11217	3.8
133.10136	45.5
134.43419	2.8
135.11699	28.3
137.09615	5.3
137.13275	11.4
139.11212	11.2
145.10080	3.2
147.11684	44.7
149.13243	12.4
151.11182	4.7
159.11743	6.5
161.13257	33.8
163.14777	13.2
165.12732	5.4
175.14847	19.0
177.16393	23.5
179.10738	8.6
189.09238	2.8
189.12636	3.7
189.16385	11.6
191.17963	7.7
205.19597	5.1
207.21048	3.4
217.15977	4.7
217.19528	95.8
218.90230	2.8
221.54214	3.0
235.16940	65.0
235.20540	81.6
252.38872	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	235.1692
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
52.03177	1.4
53.03938	1.6
55.01854	1.9
55.05510	11.9
56.30890	1.3
57.03417	1.7
57.07080	8.8
59.04988	3.2
67.05221	1.2
67.05506	13.0
69.03417	3.4
69.07072	12.7
70.64808	2.4
70.65176	2.3
71.04986	3.5
75.09651	1.3
78.23170	1.1
79.05484	12.0
81.07055	19.9
83.04981	3.4
83.08603	5.5
85.06531	4.4
91.05479	19.8
93.07048	20.3
95.04959	6.6
95.08609	25.4
97.06509	4.7
97.10163	1.3
105.07026	31.4
107.08596	32.1
109.06512	8.9
109.10155	15.9
111.08070	5.3
115.05405	1.9
117.07002	4.5
119.08578	96.8
121.06477	4.0
121.10144	15.7
123.08041	6.5
123.11713	7.3
128.06160	2.2
129.06987	5.1
131.08574	17.4
133.06477	2.0
133.10129	48.8
135.08055	19.5
135.11688	10.5
137.09607	5.8
142.07773	4.2
143.08556	9.1
144.09322	1.8
145.10110	14.9
146.07278	2.4
147.08040	6.8
147.11676	22.4
149.09634	2.6
149.13255	2.6
151.11197	9.1
156.09343	1.4
157.10112	11.9
158.10846	3.3
159.11678	13.4
160.08807	2.1
161.09616	31.8
161.13266	5.8
163.14804	1.4
170.10909	2.1
171.11652	8.4
173.13269	22.0
175.11217	14.0
175.14807	20.6
177.12704	7.2
179.10669	12.2
184.12515	2.7
187.11192	2.2
187.14792	5.2
189.12746	3.2
189.16367	21.1
191.14342	1.8
193.12297	1.9
193.15909	3.2
199.14832	13.2
202.13535	2.1
217.15875	100.0
217.19452	7.3
220.12561	1.3
222.10213	1.2
235.16920	81.8
235.20421	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	235.1693
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03925	2.2
55.01867	2.6
55.05513	8.5
56.96553	1.3
57.03426	1.4
57.07074	5.5
59.04979	0.8
65.03943	0.7
67.05160	1.0
67.05503	14.1
69.03119	0.8
69.03429	9.6
69.07066	10.6
69.28294	1.0
69.28699	5.8
71.04974	3.0
75.46847	0.6
78.41897	0.6
79.05496	27.6
81.03403	1.0
81.06566	1.3
81.07058	38.8
83.04961	2.7
83.08607	3.0
85.06540	2.0
91.05479	29.3
93.07043	39.1
95.04975	6.9
95.08608	23.0
97.06532	11.8
98.97577	1.0
103.05458	1.0
105.04529	1.2
105.07029	41.7
107.04961	14.9
107.08595	27.9
109.06523	8.1
109.10155	12.0
111.08080	23.4
112.99162	1.0
115.05450	3.8
117.07025	8.2
119.04974	0.9
119.08581	44.7
121.06531	7.4
121.10140	22.1
123.08073	11.0
123.11697	2.0
125.05983	1.1
125.09635	1.6
128.06247	3.3
129.07016	4.2
130.07703	0.8
131.08571	11.3
132.05713	0.8
133.06470	2.5
133.10132	26.1
135.08073	6.9
135.11711	4.8
137.05954	0.8
137.09615	7.1
139.11133	1.7
142.07813	4.2
143.08540	9.0
144.09364	1.6
145.06506	1.9
145.10109	7.0
147.08052	12.2
147.11685	20.0
149.09622	16.5
149.13251	2.7
151.11150	1.9
156.09346	3.1
157.06459	0.8
157.10135	13.4
159.08051	0.8
159.11690	20.8
160.05185	1.2
161.09624	11.2
161.13283	6.1
162.10413	1.6
163.11154	2.2
165.09113	8.3
165.12752	1.0
171.11690	5.1
173.13277	6.9
175.07596	3.5
175.11214	7.1
175.14830	12.7
177.12755	28.3
179.10651	3.5
184.12433	0.8
187.14836	1.6
189.12807	6.7
189.14325	1.1
189.14603	1.0
189.16359	8.1
191.14322	1.1
193.12234	0.9
199.11069	0.8
199.14824	12.7
203.07245	1.5
204.15150	1.3
205.15962	3.4
207.13669	1.2
217.12297	3.1
217.15897	22.5
217.19444	2.4
235.09721	3.4
235.13559	3.8
235.16927	100.0
235.20668	3.9
236.17239	1.5
248.12589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03932	3.5
55.01865	2.8
55.05512	9.3
56.05039	6.7
56.96558	2.0
57.05365	2.4
57.07075	16.6
58.06584	5.7
58.07398	2.1
59.06932	1.6
60.04528	1.9
61.63721	1.4
67.05173	1.3
67.05508	23.1
69.03416	8.2
69.06776	1.6
69.07067	16.6
70.16331	5.0
71.04979	4.8
71.08633	2.7
72.08945	2.0
74.06076	8.0
75.06387	4.3
79.05058	1.9
79.05498	28.0
81.03393	1.5
81.07056	40.9
83.04964	5.7
83.08595	4.2
85.06525	5.7
88.07148	1.8
88.07634	20.2
89.07955	8.8
91.05472	32.2
93.03461	1.4
93.07045	58.0
95.04961	9.5
95.08608	38.1
97.06525	9.7
97.10202	1.8
98.21426	2.3
98.97556	2.0
99.08073	2.1
105.07024	50.6
107.04964	7.8
107.08593	42.2
109.06506	10.4
109.10155	19.3
111.04514	1.4
111.08083	15.9
115.05434	6.0
116.65302	1.5
117.07002	12.2
118.08657	2.9
119.04919	1.6
119.08569	48.7
121.06527	9.1
121.09303	1.9
121.10138	26.9
122.08128	4.0
123.08048	13.8
123.11701	4.1
125.09624	6.2
128.06247	2.9
129.07022	6.6
131.08577	11.9
133.06488	3.7
133.10129	35.3
135.04416	1.7
135.08022	6.9
135.11681	11.9
137.06056	1.6
137.09572	8.1
142.07758	5.5
143.08574	10.8
145.06458	9.5
145.10130	9.8
147.08063	16.9
147.11681	29.1
149.09605	5.2
149.13237	3.3
151.11179	1.8
155.06036	1.4
156.09349	3.2
157.06529	2.5
157.10144	16.2
159.08096	1.9
159.11694	19.0
160.05229	2.1
161.09625	11.3
161.13255	13.2
163.11209	3.5
165.09109	2.6
165.12703	2.1
171.11737	6.5
173.05981	6.1
173.13246	8.5
174.06757	1.8
175.07513	7.1
175.11131	9.7
175.14812	13.7
177.12762	14.6
179.10715	8.6
186.18542	5.2
187.14786	2.9
187.18881	45.8
189.08894	1.8
189.12686	6.6
189.16365	16.8
190.06242	4.0
191.07001	2.2
199.14806	12.6
203.06992	2.6
205.08530	2.2
205.16054	1.6
207.10130	2.3
217.08522	4.8
217.12189	4.9
217.15874	27.8
217.19569	4.1
235.09586	6.5
235.13194	4.8
235.16982	86.2
235.20901	100.0
236.17183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03940	3.9
55.01869	3.0
55.05509	3.6
57.07077	1.5
59.78288	0.6
67.05508	7.5
69.03424	3.6
69.07070	2.5
70.23637	2.7
71.01356	0.7
71.04993	2.3
73.50577	0.6
77.03935	1.5
79.05492	24.9
81.03413	1.2
81.07055	41.0
83.04980	3.7
83.08605	0.9
85.06538	1.3
91.05479	19.0
93.07047	37.6
95.04966	8.8
95.08605	7.8
97.06530	9.4
98.21412	0.7
98.97588	2.3
99.04469	4.2
101.06074	0.8
103.05478	1.7
105.04515	1.6
105.06503	0.5
105.07029	25.5
107.04950	9.6
107.08588	10.0
109.06513	30.0
109.10170	0.8
111.04477	0.9
111.08078	0.9
113.39740	0.7
115.05513	1.1
117.07005	3.6
119.04894	0.9
119.08576	16.9
120.72831	0.7
121.06506	100.0
121.10132	2.1
123.04398	3.6
123.08049	3.4
125.05988	2.4
127.07565	10.6
128.06219	2.0
129.07004	6.0
131.04948	0.7
131.08563	4.5
133.06496	5.4
133.10158	6.2
135.04431	6.1
135.08041	6.5
137.05972	6.1
137.09685	1.0
139.07539	4.2
141.07033	2.3
142.07788	5.3
143.08568	10.9
145.06464	1.0
145.10146	5.3
147.08054	4.8
147.11684	15.1
147.12766	1.3
153.07021	0.8
155.08551	1.3
156.09375	4.4
157.06493	0.9
157.10129	16.8
159.08038	1.9
159.11697	1.1
161.06004	1.8
161.09599	2.2
161.13264	4.3
165.07030	1.7
165.12740	1.3
166.07791	4.2
171.08026	0.9
171.11694	16.1
173.09601	1.0
173.13234	1.6
175.07558	0.8
175.11180	25.1
177.12764	0.9
181.10143	5.7
184.08826	2.1
189.09129	0.8
189.12743	21.4
193.12285	0.9
199.11188	27.2
207.13748	0.8
214.08514	1.1
217.12236	46.0
235.13274	22.5
235.16727	4.0
239.24493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.31268	1.3
51.93264	1.1
53.03943	4.6
55.01857	5.9
55.05524	7.8
56.96556	2.6
57.07069	2.7
65.03935	3.2
67.05505	18.8
69.03417	6.2
69.07075	7.2
69.46309	5.2
69.46737	5.2
71.04990	8.5
79.05494	48.8
79.42036	1.3
79.79066	1.2
81.07059	69.4
83.04984	10.2
85.02908	2.0
85.06544	2.5
91.05486	28.7
93.07047	48.8
95.04971	22.1
95.08612	11.5
97.06529	26.9
98.97588	5.9
99.04446	4.0
103.05438	3.2
105.04537	1.4
105.07037	45.4
107.04956	9.9
107.08598	24.1
109.05766	2.8
109.06518	46.4
109.10194	1.8
111.08066	2.2
113.06029	1.9
115.05434	3.6
116.98618	1.6
117.07030	8.0
118.93982	1.3
119.01708	1.3
119.04953	2.7
119.08576	23.6
121.06512	100.0
121.10118	4.2
122.07205	1.7
123.04414	7.3
123.08063	6.5
125.05973	5.3
127.07558	16.4
128.02347	1.5
128.06216	6.5
129.05518	1.7
129.07014	14.1
131.08583	15.0
133.06490	11.4
133.10139	16.0
135.04445	8.2
135.08066	20.6
135.11694	2.1
137.05965	9.4
139.07532	3.9
139.89447	1.4
141.07016	3.1
142.07797	9.6
143.08574	25.7
145.06490	2.8
145.10098	10.2
147.08023	13.2
147.11696	27.9
149.05986	3.1
153.06926	1.3
155.08562	3.3
156.09349	9.6
157.06520	3.1
157.08920	2.2
157.10136	38.6
158.07260	1.9
158.99675	2.3
159.07983	2.3
159.11690	3.7
160.08820	2.6
161.05984	2.5
161.09601	4.3
161.13286	5.6
165.06990	2.3
165.12767	2.8
166.07764	3.8
171.08095	1.8
171.11691	33.0
171.13127	2.3
173.09648	5.8
173.13295	2.6
174.10468	1.8
175.07521	1.3
175.11191	46.6
175.14732	2.7
181.10155	5.4
184.08821	3.1
189.11064	1.8
189.12758	35.0
193.12242	2.1
198.41951	1.2
199.11191	45.5
214.08556	3.9
217.12250	86.0
217.15616	2.4
235.13301	65.0
235.16846	9.9
236.08099	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	233.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08038	1.0
53.03926	2.0
54.55997	0.9
55.01864	1.3
55.05515	7.1
56.93750	1.1
57.07070	1.8
65.90744	1.0
67.05495	10.7
69.03416	1.4
69.07076	10.8
71.04988	1.3
71.12193	1.4
71.12542	1.9
79.05492	11.5
81.07053	19.2
82.81609	1.0
83.04965	2.4
83.08607	3.2
85.67815	1.1
87.18275	1.2
91.05476	17.2
93.07043	19.6
95.04964	3.0
95.08601	20.3
97.06530	9.7
98.97584	1.8
99.08076	1.2
103.05466	1.1
105.07026	35.2
107.04935	2.4
107.08597	31.4
109.06493	3.1
109.10159	12.8
109.77293	1.1
111.08080	3.3
115.05447	2.1
117.07003	13.9
119.04916	3.6
119.08576	48.5
121.06514	2.9
121.10139	16.5
123.08027	2.0
123.11696	4.2
125.09618	2.1
129.06998	2.5
130.07774	3.5
131.08565	24.1
133.10118	22.2
135.08051	3.5
135.11691	6.9
137.06006	8.2
137.09596	1.4
139.07555	1.5
143.08514	2.8
144.09355	3.1
145.06468	1.7
145.10117	49.7
145.11278	2.3
147.08096	1.9
147.11681	14.5
149.09558	1.9
149.13239	5.5
151.07568	1.3
157.10162	5.7
158.10878	2.7
159.08136	3.0
159.11693	45.3
159.13020	2.5
161.13237	5.3
163.07533	9.6
163.11232	1.8
163.14821	1.4
171.11691	6.4
172.12389	2.2
173.05981	1.7
173.09578	1.3
173.13261	25.2
174.13829	1.0
175.11192	2.3
175.14822	5.8
177.09099	2.5
177.12778	1.9
185.13248	2.6
186.14111	1.3
187.07399	1.3
187.11197	1.6
187.14803	25.1
189.16347	5.9
191.14246	1.9
197.13200	1.4
200.15590	6.6
205.19568	1.4
215.14336	7.9
215.17947	100.0
216.18254	1.5
233.08063	3.8
233.11703	3.8
233.15439	23.1
233.18987	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.08038	1.0
53.03926	2.0
54.55997	0.9
55.01864	1.3
55.05515	7.1
56.93750	1.1
57.07070	1.8
65.90744	1.0
67.05495	10.7
69.03416	1.4
69.07076	10.8
71.04988	1.3
71.12193	1.4
71.12542	1.9
79.05492	11.5
81.07053	19.2
82.81609	1.0
83.04965	2.4
83.08607	3.2
85.67815	1.1
87.18275	1.2
91.05476	17.2
93.07043	19.6
95.04964	3.0
95.08601	20.3
97.06530	9.7
98.97584	1.8
99.08076	1.2
103.05466	1.1
105.07026	35.2
107.04935	2.4
107.08597	31.4
109.06493	3.1
109.10159	12.8
109.77293	1.1
111.08080	3.3
115.05447	2.1
117.07003	13.9
119.04916	3.6
119.08576	48.5
121.06514	2.9
121.10139	16.5
123.08027	2.0
123.11696	4.2
125.09618	2.1
129.06998	2.5
130.07774	3.5
131.08565	24.1
133.10118	22.2
135.08051	3.5
135.11691	6.9
137.06006	8.2
137.09596	1.4
139.07555	1.5
143.08514	2.8
144.09355	3.1
145.06468	1.7
145.10117	49.7
145.11278	2.3
147.08096	1.9
147.11681	14.5
149.09558	1.9
149.13239	5.5
151.07568	1.3
157.10162	5.7
158.10878	2.7
159.08136	3.0
159.11693	45.3
159.13020	2.5
161.13237	5.3
163.07533	9.6
163.11232	1.8
163.14821	1.4
171.11691	6.4
172.12389	2.2
173.05981	1.7
173.09578	1.3
173.13261	25.2
174.13829	1.0
175.11192	2.3
175.14822	5.8
177.09099	2.5
177.12778	1.9
185.13248	2.6
186.14111	1.3
187.07399	1.3
187.11197	1.6
187.14803	25.1
189.16347	5.9
191.14246	1.9
197.13200	1.4
200.15590	6.6
205.19568	1.4
215.14336	7.9
215.17947	100.0
216.18254	1.5
233.08063	3.8
233.11703	3.8
233.15439	23.1
233.18987	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03952	2.7
55.01880	1.9
55.05503	6.7
57.07066	3.2
59.04994	2.4
60.85255	1.4
62.49717	1.3
65.03929	1.6
65.84654	1.3
67.05506	10.4
69.03429	13.1
69.07085	7.9
69.62720	2.9
69.63124	9.3
71.04990	4.1
73.92605	1.5
75.68855	1.3
79.05056	2.0
79.05495	30.7
81.07066	14.7
83.04967	3.6
83.08615	4.8
85.02905	1.6
85.06535	5.8
91.05477	24.2
93.07060	15.6
95.04974	17.7
95.08609	11.7
97.06539	15.3
103.05480	1.8
104.21921	1.4
105.07024	26.9
107.04959	25.0
107.08595	24.6
109.06506	6.7
109.10188	9.7
111.04534	1.4
111.08102	3.5
113.06038	2.7
115.05466	4.1
117.07043	11.9
119.04896	2.4
119.08585	100.0
121.06532	7.1
121.10142	16.9
123.08059	4.3
123.11691	4.3
125.09616	2.6
128.06192	2.2
129.07019	4.9
131.08575	20.3
133.06508	4.1
133.10133	18.9
135.08044	6.4
135.11700	3.6
137.05991	8.8
137.09612	9.5
139.07570	1.6
141.06976	2.8
142.07748	3.0
143.08543	4.7
144.05693	1.9
144.09367	2.1
145.06493	5.6
145.10117	39.6
147.08061	25.9
147.11688	14.1
149.09639	12.8
149.13252	3.4
150.55226	1.4
151.07553	3.1
151.11247	2.1
155.08594	3.6
156.09364	4.2
157.10168	10.2
159.08067	5.1
159.11722	16.0
161.09599	3.3
161.13283	5.6
163.07565	11.2
163.11183	3.8
163.14830	2.7
167.08507	2.5
169.10146	2.7
171.11693	7.1
172.05292	1.6
172.08807	1.8
172.12505	1.5
173.09637	12.7
173.13286	16.6
175.11197	12.7
177.09106	6.6
182.10944	4.0
187.11220	5.6
187.14815	27.6
189.12836	8.0
189.16415	4.2
191.03398	4.6
191.10663	2.2
191.14308	31.0
197.13264	6.7
205.08359	1.9
205.15887	6.0
215.10779	3.9
215.14310	21.0
215.17921	8.3
233.08122	5.5
233.11708	6.2
233.15379	87.9
233.18782	7.1
233.22713	2.7
249.54454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.51810	1.0
53.03930	2.8
55.01860	1.5
55.05510	7.3
56.96552	1.6
57.03444	1.0
57.07074	3.0
59.04992	1.4
67.05504	9.9
69.03423	5.6
69.07074	5.7
70.84953	2.2
71.04992	2.1
79.05491	46.6
81.07063	15.1
83.04971	2.8
83.08624	6.7
85.06525	5.0
91.05463	13.6
93.07050	14.9
95.04973	8.1
95.08601	15.1
97.06544	6.0
98.97580	2.9
100.97194	1.0
103.05436	1.7
105.07030	26.2
107.04955	43.9
107.08595	23.5
108.04517	0.9
109.06502	4.2
109.10158	7.0
111.04411	1.4
111.08075	4.4
113.06011	1.8
115.05444	1.7
117.07005	9.4
119.08572	39.6
121.06505	3.9
121.10143	13.8
123.08055	3.5
123.11674	2.8
125.06015	1.3
125.09612	2.0
125.20896	0.9
128.06198	1.0
129.07037	3.1
129.08061	0.8
130.07777	2.6
130.29079	0.9
131.08569	25.0
133.06488	1.3
133.10129	18.1
135.08076	5.9
135.11710	4.7
137.06052	1.4
137.09605	6.4
139.07521	1.9
141.07014	1.1
142.07753	2.4
143.08588	4.2
144.09343	1.8
145.06458	1.6
145.09010	2.2
145.10123	34.6
147.08061	15.6
147.11693	19.2
149.09610	8.7
149.13281	5.0
151.07494	1.6
155.08548	1.8
156.09430	1.3
157.10100	7.3
158.10912	3.9
159.08069	4.0
159.11690	22.1
160.08818	3.0
161.09590	2.4
161.13251	4.4
163.07529	6.4
163.11179	4.9
163.14886	1.8
171.11729	5.2
172.12558	2.2
173.09631	4.1
173.13274	19.0
175.11195	19.8
175.14810	4.5
177.09067	1.3
182.10945	1.2
185.13252	1.7
187.11194	1.7
187.14799	18.3
187.16385	1.2
189.12715	7.1
189.16380	4.3
191.10701	2.3
191.14297	51.6
197.13239	3.3
200.15593	1.7
205.15884	1.5
215.10678	1.8
215.14413	12.5
215.17940	40.2
233.08034	4.4
233.11649	4.5
233.15366	100.0
233.18922	35.7
234.15659	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05510	0.7
56.05036	16.2
56.05312	0.9
56.96566	6.2
57.03434	5.4
58.06598	3.5
61.02921	0.9
67.05483	0.6
69.03430	3.1
70.12978	0.5
70.24065	1.0
71.04994	0.8
71.21804	0.5
72.08154	0.6
73.02935	3.1
73.06557	0.5
74.06079	100.0
74.31075	0.5
75.04485	1.0
81.03418	1.4
81.07055	0.9
84.04037	0.5
84.04490	2.8
84.96011	0.8
85.02910	3.6
86.06091	0.5
86.09706	22.3
87.04475	0.6
89.00790	0.6
89.52110	0.5
91.05491	1.4
93.07024	0.9
94.62984	0.5
97.02894	2.9
98.97589	7.8
101.07158	2.1
103.05481	0.6
105.07020	1.0
107.04961	0.6
107.08587	0.6
109.02888	0.7
110.97587	1.7
112.99083	0.6
113.05985	0.5
115.05484	1.0
116.98633	2.7
117.07040	1.0
119.01875	0.7
121.10132	0.7
127.03943	1.2
128.06320	0.6
128.98647	1.9
129.07011	0.7
131.00209	0.7
131.04922	1.0
132.10204	18.5
132.95839	0.6
142.12263	0.9
143.00163	0.7
143.01929	0.5
143.11752	0.7
144.05661	0.6
145.06516	1.8
146.99701	1.8
147.03270	1.0
149.06015	0.6
150.96860	0.7
154.94261	0.7
155.04703	1.9
158.99620	2.6
159.04488	0.5
159.08018	0.6
161.01245	1.0
161.02965	0.5
161.04686	1.2
163.02802	1.0
164.05180	1.0
169.13425	1.4
170.99623	1.0
172.05217	0.9
172.95284	0.6
173.05998	0.9
174.06746	0.7
177.00739	1.6
177.05554	0.8
182.03430	1.1
187.07600	1.2
187.14433	8.8
189.00766	0.8
189.05595	0.6
190.98656	0.6
191.03914	1.8
191.05696	1.0
200.04523	0.6
201.00793	0.7
203.05650	0.6
205.08556	0.8
208.99722	0.7
212.06279	3.2
212.56471	0.6
215.07057	1.0
215.13931	3.5
219.01848	1.5
221.07066	0.6
231.01639	0.6
233.04570	0.9
233.08356	2.4
233.14967	10.6
233.18973	0.9
237.02957	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	233.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01864	2.6
55.05504	3.7
56.96564	27.2
57.03438	20.1
57.07065	1.7
58.06593	1.2
59.05000	1.7
61.02921	3.9
65.03925	1.2
67.05499	3.9
69.03106	1.3
69.03432	11.9
69.07059	1.1
69.75871	5.9
70.06590	2.4
70.36752	1.0
70.98106	1.4
71.01353	1.1
71.04992	9.8
72.08159	5.3
73.02912	8.7
73.06557	2.2
74.06094	6.2
75.04491	6.1
79.05508	1.2
79.49341	0.9
81.03417	27.5
81.07030	1.1
83.01319	0.9
83.04977	2.2
84.04506	3.5
84.08127	4.8
84.96014	2.2
85.02904	100.0
85.06550	5.9
86.06083	2.1
86.09694	2.6
87.04466	2.7
87.65527	1.1
88.07632	17.4
91.03880	1.2
91.05463	3.3
93.07046	1.8
95.04964	3.5
95.08591	1.7
97.02899	12.9
97.06537	1.7
98.03658	5.6
98.97585	25.0
99.04451	23.1
100.99124	3.6
101.00864	6.0
101.02365	1.5
103.00650	4.1
103.02470	2.2
104.07113	1.7
105.02229	1.7
105.07063	1.1
107.04942	2.0
109.02891	9.8
110.01302	1.5
110.97572	5.8
111.04473	1.4
113.06010	49.8
115.00631	1.8
115.03989	1.4
116.98633	12.2
117.07010	1.8
119.00191	1.9
119.01917	13.4
119.03677	1.2
121.01673	11.3
123.03194	1.3
126.09179	0.9
127.03916	51.7
128.02325	1.8
128.04236	1.0
128.98628	6.4
129.02206	1.1
129.03983	2.0
131.00209	2.0
131.01900	4.0
131.08588	1.3
132.95866	2.8
133.01698	2.2
133.03479	4.2
134.99655	3.9
135.03256	1.6
136.93085	2.4
137.02939	2.0
137.04768	1.1
137.05943	1.6
139.02730	2.0
139.03888	1.1
140.98553	1.7
141.05472	33.5
143.00165	2.4
143.01900	9.9
144.03357	1.1
144.98068	2.9
145.01662	2.8
145.03476	7.1
145.04903	1.3
145.06523	1.2
146.02357	1.5
146.03720	1.2
146.99663	6.2
147.03226	5.5
147.05013	2.4
149.01167	3.4
150.96922	1.9
152.04144	3.3
153.05710	3.3
154.94200	2.6
155.01852	1.3
155.04692	3.8
157.01741	1.2
157.03432	2.3
158.99654	6.0
159.06529	78.1
161.01263	2.9
161.02957	17.0
161.04666	7.2
161.06718	2.2
162.99129	2.1
163.02783	4.5
164.05269	1.2
165.00725	2.1
165.04301	2.5
167.02048	1.2
169.03435	1.7
170.05104	2.1
170.99731	2.3
171.01419	1.2
172.95236	4.1
173.01198	4.0
173.02946	3.3
175.02673	1.9
175.04509	3.2
175.06046	6.5
177.00700	5.3
177.04236	1.7
179.07561	1.3
183.01793	1.2
183.04997	1.7
183.06503	8.5
184.03006	1.2
184.04666	1.6
185.02963	1.2
186.96767	3.6
187.02844	2.1
187.04532	4.4
187.10837	1.9
187.14455	1.2
189.00714	4.0
190.96324	2.7
190.98630	4.8
191.02248	10.6
191.03970	3.9
191.05795	2.4
201.00688	2.5
201.07669	1.5
203.04066	1.3
203.07603	1.5
204.97920	2.1
205.03804	2.1
205.08618	1.2
207.01736	3.4
208.99681	6.3
209.03281	3.7
210.02325	1.2
210.04204	1.1
210.06268	1.1
212.04077	1.2
213.06076	1.7
214.96364	2.2
215.07301	1.8
218.99773	1.1
219.01788	4.0
221.05070	1.7
224.06299	1.2
232.97351	2.4
233.03195	2.6
233.06563	9.4
233.10132	20.5
233.12398	1.6
233.15210	4.6
237.02858	2.1
249.02644	1.5
251.04208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27999	1.7
54.55956	1.6
55.01862	2.4
55.05499	7.0
56.96555	6.1
57.03401	1.7
57.07064	2.8
63.11964	1.4
67.05499	8.0
69.03427	9.3
69.07057	3.1
70.82092	4.5
71.04974	2.4
79.05490	12.2
81.03429	3.2
81.07068	8.2
83.04980	2.6
85.02905	2.0
91.05490	13.4
93.07059	13.6
95.04971	7.8
95.08591	8.7
97.02937	3.1
97.06517	4.9
98.97583	15.2
99.04469	1.9
103.05450	4.0
105.06454	1.6
105.07040	16.9
107.04921	5.6
107.08570	8.8
107.90685	1.6
109.02863	2.2
109.06477	2.7
109.10146	4.2
110.97540	2.2
115.05454	6.4
116.06200	3.3
116.98594	4.1
117.07039	13.4
119.04936	2.6
119.08630	12.0
121.06477	5.3
121.10117	7.9
123.08054	3.6
125.47012	1.9
128.02361	2.0
128.06183	3.4
128.98579	2.5
129.06989	5.0
130.07744	1.9
131.04924	2.8
131.08585	14.6
133.06480	3.8
133.10112	9.0
135.08061	9.6
135.11636	2.6
137.05989	2.6
137.09633	3.0
141.06978	4.0
143.08563	2.7
144.05696	4.6
145.06502	12.6
145.10133	22.0
147.08026	6.1
147.11649	3.6
149.05989	2.7
149.09630	3.1
151.07425	1.6
155.04865	2.5
155.06065	1.9
156.09323	2.4
157.10144	4.9
158.99667	5.3
159.04391	4.0
159.08043	6.4
159.11697	9.4
160.05138	3.1
161.05975	2.0
161.09596	3.2
163.07539	3.0
163.11137	3.8
167.06480	2.9
169.10130	2.5
171.11668	4.2
172.05188	16.5
172.08769	2.7
173.05922	7.8
173.09596	12.3
173.13261	7.8
175.07515	2.8
175.11153	6.3
176.07024	7.2
177.00713	4.1
177.05450	3.1
177.09134	3.9
185.07567	2.9
187.03676	13.2
187.07521	4.1
187.09743	1.7
187.11177	13.1
187.14799	6.4
189.12669	4.0
191.07004	3.9
191.10606	2.8
191.14272	2.7
197.05936	2.0
197.09727	2.1
197.13234	3.8
200.04634	4.6
202.06024	100.0
203.06795	37.0
205.08569	6.5
205.12257	3.2
213.07861	3.0
215.07007	4.7
215.10683	7.3
215.14256	9.7
215.17972	2.4
218.05716	6.4
233.07970	80.9
233.11542	16.1
233.15312	29.3
233.19025	5.9
237.02715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
55.01854	7.0
55.05508	10.4
56.96566	61.4
57.03428	21.2
59.04986	6.2
61.02925	25.0
66.34673	6.2
69.03434	47.3
69.07066	7.0
70.06568	8.1
71.04995	9.0
71.60325	10.0
72.08162	13.1
73.02940	14.0
73.93696	6.0
78.17744	6.0
81.03410	24.1
83.04963	10.2
84.04505	34.9
84.08149	27.5
85.02909	62.6
86.06067	20.4
86.09705	100.0
87.04458	37.7
97.02913	53.9
98.97596	70.7
99.04455	16.9
101.00882	35.7
103.00634	13.6
104.07117	31.8
109.02872	16.8
110.97559	12.8
112.99168	15.4
113.00899	8.6
115.02437	32.4
116.98631	18.2
117.03976	14.9
117.57558	6.5
119.01900	52.0
121.01698	12.1
127.03905	25.2
128.98639	16.0
130.04984	8.5
131.00168	10.1
131.01907	17.3
133.01770	8.8
133.03490	47.9
134.99605	6.2
135.04993	6.9
136.93126	7.4
140.05011	11.6
140.98503	7.2
143.00151	6.5
143.01884	29.7
145.01669	10.7
145.03484	21.2
145.05070	7.3
146.04979	7.4
147.03154	8.8
147.05028	12.3
148.03903	10.5
151.02644	7.2
151.55913	9.7
152.04985	47.1
152.55115	7.6
153.05830	11.6
154.94159	7.6
155.01936	10.1
157.03400	15.3
158.99683	12.6
159.05035	29.0
161.01213	13.6
161.02977	32.5
161.05553	45.0
161.55656	6.7
170.05228	6.4
170.08127	10.7
170.99646	7.0
171.05074	12.1
173.01347	12.9
173.02962	21.4
175.02832	6.5
175.04556	13.5
177.00694	8.4
177.06085	8.6
185.02937	11.0
187.04590	14.3
191.02406	13.9
191.04002	24.0
201.00722	17.0
203.04013	11.1
205.10765	6.9
213.06052	11.6
216.08727	16.9
219.01852	7.9
221.05032	10.3
223.04562	8.8
233.04947	11.3
233.08624	11.0
233.11693	6.5
237.02795	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89279	0.8
54.07201	0.9
55.05518	5.1
57.07067	2.9
67.05509	16.0
69.07069	8.2
79.05494	6.5
81.07059	27.7
83.08607	3.6
91.05481	6.7
93.07053	20.5
94.37422	0.9
95.08611	48.0
105.07031	13.1
107.07869	1.1
107.08601	28.7
109.10163	30.7
119.08569	13.2
121.10146	24.1
123.11710	24.0
133.10139	12.0
135.11699	30.2
137.13272	5.4
145.10158	2.2
147.11694	13.0
149.13263	14.3
161.13284	18.6
163.14809	1.4
173.13260	1.6
175.14827	16.4
187.14848	1.7
188.15532	1.5
189.16399	12.7
203.18024	1.8
231.21091	100.0
232.21359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
55.84875	1.5
57.07069	2.6
67.05516	14.6
69.07074	23.6
69.58425	1.2
71.02691	1.1
71.04099	1.7
71.04440	2.7
79.05486	7.1
81.06636	2.1
81.07067	29.6
83.08608	5.2
91.05505	6.4
93.07050	25.1
95.04939	2.5
95.08036	2.4
95.08609	37.2
97.02847	1.6
97.10155	5.2
105.07035	17.8
107.08603	28.1
109.06536	1.6
109.10161	27.6
111.11705	4.0
114.44537	1.3
119.08594	19.8
121.10162	32.1
123.11721	21.3
128.06296	1.3
131.08578	1.4
133.10138	9.2
135.11697	20.6
137.13240	6.1
142.07840	1.6
143.08611	1.4
147.11696	10.9
149.13268	8.0
161.13278	26.0
163.14900	3.0
166.37218	1.3
171.11592	1.7
173.13222	1.3
175.14842	21.5
182.98395	1.3
185.09668	2.2
185.13536	1.8
185.34724	1.3
189.16393	2.3
196.64194	1.3
203.10745	1.4
203.17972	2.5
213.09026	1.8
231.10184	4.6
231.13651	3.1
231.17360	3.1
231.21094	100.0
232.21474	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.97699	0.3
53.03942	0.3
55.01875	0.7
55.05515	10.9
56.96568	2.8
57.03438	0.6
57.05815	1.2
61.02926	0.3
65.03967	0.3
67.05525	0.6
69.03423	1.2
69.07064	0.5
71.15736	0.7
72.08157	100.0
73.02921	0.7
79.05499	0.5
81.03427	0.8
83.05009	0.4
84.04536	0.3
84.96044	0.7
85.02910	1.1
86.09695	5.1
91.05499	0.8
95.04927	0.3
97.02916	1.1
97.06531	0.3
98.97601	3.2
98.98243	0.4
98.98438	0.4
99.36790	0.3
105.07046	0.5
107.04998	0.3
109.10192	0.3
110.97620	0.7
111.04453	0.6
115.05470	2.3
116.19205	0.3
116.98630	1.8
119.01926	0.5
121.02867	6.6
121.03701	0.5
124.99158	0.6
127.03938	0.3
128.06261	0.5
128.98630	0.5
129.05524	0.5
129.07063	0.7
131.00253	0.3
132.05734	0.5
132.10213	3.2
132.11040	0.4
133.10060	0.3
133.62065	0.2
134.99709	0.6
141.07014	0.4
143.00145	1.8
143.04947	1.1
143.08641	0.5
146.99632	0.5
147.04468	0.9
147.08092	0.4
157.06519	0.5
157.10178	0.4
158.99736	0.5
160.05225	2.0
161.01230	1.8
161.06009	0.9
163.03955	0.7
171.04413	2.2
173.05922	0.4
175.07530	3.7
177.00757	0.8
185.01324	0.7
185.05971	0.5
185.09668	0.4
185.16605	0.7
188.04807	0.3
189.00732	0.4
189.05568	1.1
189.09190	0.4
199.03947	0.7
203.02330	0.6
203.07037	2.8
207.05670	0.4
211.07399	0.5
216.04309	0.8
220.44737	0.3
231.03046	1.7
231.06583	3.1
231.10281	0.7
231.17078	2.7
237.02863	0.3
249.02875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88184	0.8
54.48514	0.7
55.05505	2.0
56.05041	2.0
56.96570	8.2
57.03415	1.1
57.07088	1.1
67.05483	1.6
69.03436	6.3
69.07070	6.5
71.04984	1.8
71.60786	0.9
71.71996	0.8
72.08163	4.8
74.02454	5.7
79.05471	1.7
81.03418	2.5
81.07055	3.4
83.05011	0.9
84.04533	0.9
84.96021	1.4
85.02921	4.9
86.09709	2.1
87.04461	1.4
91.05467	4.5
93.07040	2.1
93.24418	0.9
95.08609	1.4
97.02912	4.2
97.06489	0.9
98.96999	1.6
98.97585	19.4
98.98499	0.9
99.04444	1.2
102.05527	3.4
105.07037	2.5
106.45788	0.7
107.04952	1.1
107.08591	1.1
109.02863	1.8
110.97569	4.3
111.04408	1.4
112.99097	1.2
115.05462	7.0
116.98634	7.6
117.05746	1.3
117.07009	2.0
118.06551	9.3
119.04951	1.8
119.08570	3.0
121.06409	0.9
124.99137	0.9
127.03895	1.7
128.06224	1.7
128.98599	4.8
129.07005	2.3
130.06534	30.3
131.00180	0.9
131.04904	1.1
131.08574	1.7
132.05647	0.9
132.08102	1.5
133.10120	1.1
134.99648	1.9
142.07762	1.5
143.00183	2.4
143.04895	2.4
143.07327	15.6
143.08525	2.7
144.08084	12.2
144.98036	1.1
145.10104	1.1
146.06007	22.2
146.99638	3.5
147.04367	4.4
147.08017	3.4
148.04742	2.0
154.06548	8.2
156.08112	2.9
157.06517	1.1
157.08859	3.5
157.10167	2.3
158.09656	100.0
158.99629	3.0
160.05190	4.1
161.01234	1.3
161.05956	2.2
161.09645	1.4
162.99231	1.1
167.07298	1.3
168.08102	20.6
169.08804	1.6
170.06010	1.7
170.09679	1.9
170.99678	1.8
171.04382	3.9
171.08023	1.7
171.11746	1.2
172.07555	1.4
175.07527	7.9
177.00682	2.5
185.10805	2.1
185.13130	1.3
188.04637	1.4
188.07062	28.4
189.00749	1.9
189.05554	1.9
189.09041	1.0
196.07593	0.9
201.00862	1.0
203.06972	4.6
210.06525	4.5
210.56439	1.3
213.12723	1.1
214.08644	18.7
216.04350	0.9
219.01790	1.7
231.02840	3.2
231.06247	5.7
231.11224	11.5
231.13835	4.8
231.17400	1.2
237.02837	2.0
249.02824	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	231.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51248	22.1
69.04539	58.9
69.63872	100.0
69.64275	46.4
105.27818	25.2
154.83310	25.8
191.31520	26.9
226.46890	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	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04744	1.0
52.22231	0.9
55.01868	1.9
55.05501	2.7
56.00312	1.0
56.05011	1.3
56.96566	17.4
57.03410	3.3
57.07066	2.3
58.72596	1.0
59.82554	1.0
67.05480	5.0
68.98281	1.5
69.03438	7.6
69.07063	1.6
70.06573	3.8
70.99831	1.3
71.04975	1.9
71.60272	1.6
72.08134	3.3
73.02900	4.8
81.03407	1.9
81.07034	1.2
82.99842	2.7
83.05009	1.2
84.04497	10.3
84.08141	24.3
84.96009	2.0
85.01398	6.1
85.02902	7.9
85.06551	12.4
86.09679	3.9
86.99315	2.0
87.04456	2.5
88.03975	2.7
95.04952	2.3
97.02906	8.9
97.06496	1.2
98.06020	1.2
98.97581	13.2
101.00880	29.8
102.09171	4.3
103.02447	21.0
105.00320	1.7
110.01332	1.3
110.97540	3.4
111.04435	1.6
112.99114	2.7
115.03907	3.3
115.05399	1.7
116.07079	2.7
116.98625	9.0
117.03990	10.2
119.01923	77.6
121.03493	9.5
124.99090	3.3
127.00590	1.3
127.02385	5.5
128.98595	4.5
129.00333	4.0
129.07063	1.7
129.10199	4.7
130.04948	2.7
131.00124	2.3
131.01871	5.9
133.01611	1.2
133.03488	6.8
134.99628	3.9
135.05093	6.9
137.02951	13.9
143.00174	5.9
143.01889	5.4
145.03467	53.1
146.99651	2.5
147.01385	28.4
151.04485	1.8
155.01897	3.7
157.03439	1.7
158.99617	4.4
160.05167	1.3
161.01241	5.1
161.02945	22.7
163.04593	20.3
165.02414	7.7
168.05086	1.4
170.91402	2.7
171.01379	25.4
173.01053	1.4
173.02994	5.4
175.54170	1.2
177.00690	3.7
179.02426	1.4
179.03998	3.8
183.03493	2.3
185.01295	2.6
185.02962	5.9
185.09570	1.2
185.13237	1.3
187.04544	4.7
188.92482	8.2
189.02444	100.0
191.03947	1.8
191.66618	1.2
199.14366	2.3
203.03941	2.4
207.01749	1.8
207.03494	21.6
208.04582	4.8
212.03972	4.6
214.10687	5.4
216.04245	1.4
219.01649	2.0
219.03554	1.6
222.04662	3.5
231.03412	27.8
231.05190	2.2
231.06956	1.5
231.10078	1.8
231.13725	2.0
231.17139	2.0
234.05273	1.3
237.02815	3.4
243.98633	1.4
248.99196	1.6
249.04735	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	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24263	13.7
57.52427	16.6
70.02599	78.8
70.06591	74.1
79.33829	14.1
88.03996	47.3
93.15625	17.7
116.07100	100.0
118.18950	14.5
119.01923	40.2
134.44745	13.8
157.13074	17.2
161.02930	20.6
171.07631	30.9
188.61609	17.4
196.06041	46.2
203.04024	20.1
213.03754	21.0
231.04773	39.9
231.09917	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43578	0.4
56.96567	28.8
66.99580	0.4
67.05518	0.7
69.03423	1.8
69.07079	0.7
71.61008	0.5
71.61424	0.6
71.95275	2.6
73.27612	0.5
77.98821	0.4
79.05470	1.0
81.03423	0.7
81.07051	0.9
83.08630	0.5
84.96033	5.4
85.02885	0.5
85.20024	0.5
91.05487	1.3
93.07038	1.1
95.08594	1.3
97.02892	0.5
97.96819	0.5
98.97585	100.0
105.07046	1.9
107.08589	1.6
109.10123	0.9
110.97574	44.2
112.99146	1.7
116.98623	41.9
117.06982	0.7
119.08598	1.9
121.10126	1.0
124.99075	2.6
126.97059	0.7
127.00695	0.7
128.06181	0.4
128.98611	47.4
129.06989	0.5
131.00159	2.5
131.08580	1.6
133.06427	0.4
133.10164	1.2
134.99670	9.8
136.35834	0.4
140.00200	2.9
140.98567	2.1
142.07808	1.0
143.00162	9.8
143.01245	0.7
143.08575	1.1
144.98085	1.7
145.10153	1.3
146.99660	20.0
147.11728	0.7
149.01219	0.6
152.00191	2.9
152.98616	1.1
153.00754	0.6
155.00174	3.2
157.10155	1.6
158.01276	0.9
158.99649	3.9
159.11699	2.0
161.01227	11.2
161.09644	0.7
161.13322	0.5
162.99196	1.3
165.00745	0.8
166.01830	0.4
169.10139	0.6
170.01254	1.5
170.10815	0.5
170.99655	13.5
171.11714	1.2
173.01254	3.9
173.13408	0.5
175.07581	0.8
175.14813	0.7
177.00682	2.2
179.02342	1.4
182.99657	2.3
185.13287	1.5
189.00716	11.3
191.02307	0.8
201.00734	4.5
207.01758	1.2
212.02335	1.5
213.16409	1.2
219.01807	0.8
231.01979	1.5
231.06512	0.5
231.10269	1.3
231.13872	3.5
231.17433	2.5
231.21126	1.5
249.02817	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	230.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52283	1.7
55.01860	3.2
55.05503	1.8
56.96565	7.1
57.03430	2.1
58.99850	1.9
61.02916	4.4
68.98284	2.2
69.03420	3.5
69.04553	5.2
69.44357	3.5
69.44765	12.1
70.06590	28.0
71.04984	1.8
72.08144	1.8
73.01400	2.1
73.02904	3.0
81.03440	3.3
82.99844	3.0
84.04497	3.7
84.08150	4.2
85.01409	4.3
85.02903	4.5
86.06071	1.9
86.09702	2.9
88.04002	10.2
89.77966	2.2
97.02891	4.7
98.21459	2.7
98.97567	4.4
101.00874	41.3
103.02455	15.7
103.43082	2.0
109.02852	2.9
110.97588	1.8
113.00864	3.6
114.05551	2.1
115.02441	5.5
116.07096	31.2
116.98621	3.5
117.03981	7.2
119.01920	100.0
120.01985	1.7
121.01691	4.7
121.03477	7.7
121.53546	1.8
125.07128	7.1
127.02412	5.6
127.03869	1.8
128.98671	2.4
129.00375	3.3
129.04027	1.7
131.01901	21.2
133.03450	8.6
135.05040	5.2
137.02957	16.3
139.02464	4.2
139.48976	1.7
143.01926	8.4
145.03477	39.7
147.01396	22.5
147.03186	1.8
147.05048	2.1
149.02934	10.1
151.04546	2.1
155.01913	9.3
156.97490	2.4
157.03470	23.8
159.05037	6.3
161.02965	31.0
163.04486	14.7
164.04289	2.0
165.02475	5.6
166.94565	2.0
167.01923	4.6
167.86081	1.7
169.03496	2.8
170.99944	2.8
171.01357	19.4
171.07668	10.2
173.02977	14.7
175.04446	3.0
180.05048	5.2
185.02966	35.0
185.06546	2.0
187.04539	7.1
188.10210	2.0
189.00826	2.7
189.02446	73.5
190.58754	2.0
191.03979	4.9
196.06050	12.8
199.00867	5.7
201.02484	3.2
203.02341	2.6
203.04019	10.5
205.05608	1.6
207.03525	19.1
208.04578	29.9
213.08823	5.1
217.01929	8.2
219.03477	4.6
226.05603	3.2
231.03447	27.5
231.06978	6.8
231.09999	6.6
231.13693	2.8
231.16011	2.8
249.04596	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	230.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05506	2.7
56.96573	7.1
57.03426	4.7
67.05494	5.2
69.01377	1.0
69.03422	4.2
69.07066	5.3
70.06576	5.1
71.05014	2.6
71.06920	1.9
71.59973	1.9
71.60668	1.2
72.08140	2.7
73.73100	1.1
73.95054	1.1
79.05483	5.1
80.05022	1.2
81.07053	4.1
82.06564	5.1
82.38742	1.1
83.04984	1.5
84.04517	1.3
84.08131	2.9
84.96031	2.0
85.02900	2.9
85.06525	1.5
86.09699	2.3
87.04451	1.7
89.03904	1.9
91.05461	4.8
93.07012	4.1
94.06573	12.8
95.04955	5.1
95.08606	2.6
96.08121	3.1
97.02878	3.4
97.06520	2.0
98.06040	4.7
98.97591	6.8
105.07037	2.9
106.06541	2.7
107.08585	3.5
108.08096	5.0
109.06496	4.2
110.06054	12.4
111.06789	1.5
111.34112	1.1
112.07613	3.1
113.05994	2.9
116.98611	4.6
117.03322	2.1
119.04937	2.5
119.08553	2.0
120.08089	2.9
121.06464	1.5
121.10135	1.5
122.06027	28.9
122.09660	4.2
123.04436	2.0
123.06787	3.2
124.07600	9.5
124.99063	1.5
126.09126	2.0
127.03908	4.1
131.08504	2.0
132.08104	1.9
133.08844	2.3
134.09650	4.7
134.99646	2.3
135.04399	5.3
135.08020	1.8
136.07571	7.9
136.11203	3.9
137.08430	1.4
138.09131	9.4
139.07524	3.3
140.07071	35.5
142.08676	2.2
143.00146	4.2
145.03464	1.4
147.04425	8.0
148.07593	2.4
148.11209	7.8
149.09596	4.5
150.09090	3.3
152.07039	1.6
152.10628	1.4
154.08633	45.6
156.10164	3.8
157.01932	1.2
158.99683	1.4
161.01219	3.8
163.03893	18.8
166.08638	1.7
166.12285	12.1
167.10634	2.3
168.10219	3.5
169.03421	1.5
176.10715	7.7
177.00717	2.1
177.09132	2.0
182.99754	1.4
187.04593	1.8
188.92456	2.9
189.00679	1.4
194.11768	24.9
201.00703	5.2
203.02092	1.4
212.09276	2.3
212.12854	18.1
215.04028	2.5
216.04367	1.2
219.01752	1.9
225.00771	1.7
230.13870	100.0
231.06491	1.5
233.05090	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	229.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.9
57.03406	2.0
57.07068	1.7
67.05511	16.0
69.07052	5.6
71.62136	1.9
71.62498	1.5
79.05511	8.4
79.55791	1.3
81.07054	17.0
83.04966	2.6
83.08601	3.8
91.05476	15.4
93.07045	13.6
95.04939	1.9
95.08611	17.2
97.10158	1.8
98.06052	1.7
105.07031	25.6
107.08607	13.7
109.06517	1.4
109.10173	14.0
117.07024	10.2
119.08569	18.4
121.10146	11.7
123.11684	1.8
129.07002	2.3
131.08572	17.6
133.10135	54.0
135.11679	12.3
143.08580	3.6
144.09303	2.4
145.10118	17.2
147.11693	9.1
149.13307	3.0
157.10106	4.5
159.08054	1.4
159.11699	41.9
161.13235	3.3
169.10185	3.0
171.11720	3.6
173.09665	1.8
173.11748	2.0
173.13245	24.5
183.11713	2.3
185.13237	2.0
186.14020	1.8
187.11247	2.1
187.14890	7.7
194.07890	1.4
196.12491	1.6
199.14796	1.7
201.16382	3.7
211.14804	4.0
214.17078	1.7
219.44919	1.3
229.08525	1.8
229.12206	5.1
229.16212	12.7
229.19508	100.0
229.23401	4.8
230.10353	1.5
230.19827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01865	3.5
55.05263	4.0
55.05511	76.5
55.49114	2.4
56.96549	3.9
57.03426	4.9
57.07063	9.6
57.95143	2.2
59.05003	14.1
67.05502	42.6
69.03427	23.1
69.07062	30.7
70.94272	5.2
71.04985	15.3
79.05478	12.9
81.03429	2.5
81.07056	45.1
83.04978	61.3
83.08625	41.8
85.02910	3.5
85.06544	34.1
87.04456	5.7
91.05488	12.5
93.07034	26.6
95.04943	11.4
95.08613	33.2
97.02893	3.2
97.06531	4.7
97.10159	9.9
98.97585	13.0
99.08086	21.4
101.06026	12.2
105.07027	20.6
107.08589	45.3
109.06497	3.4
109.10155	100.0
111.08070	9.2
113.09645	2.4
115.05449	2.5
115.21300	2.6
116.98628	3.2
117.07018	9.8
119.08566	23.1
121.10157	18.6
123.08035	3.0
123.11703	49.3
125.09622	18.9
127.11186	36.7
129.06990	7.0
131.08546	15.4
133.10153	19.8
135.11696	39.5
137.09599	6.0
141.06982	2.8
142.07784	3.5
143.08563	7.0
145.10104	19.1
147.11671	7.8
149.13239	17.5
151.11121	11.9
151.14777	5.2
153.12747	12.9
155.08554	4.8
155.10669	5.6
157.10130	3.8
158.10905	2.8
158.99602	3.9
159.07968	3.5
159.11699	23.7
163.53087	2.6
167.14294	33.0
168.09294	2.7
169.10025	3.7
169.12230	43.1
171.11649	5.8
171.13870	2.8
173.09543	7.7
173.13266	18.0
175.14801	10.8
183.11671	5.1
185.13322	4.5
185.15356	9.6
187.11160	9.2
187.14787	7.6
193.15831	21.8
201.09045	3.0
201.12756	7.3
201.16472	4.1
211.07639	2.9
211.11383	3.3
211.14981	4.5
211.16919	85.1
220.10326	8.4
229.08615	5.9
229.12474	13.4
229.16040	23.0
229.17613	3.8
229.19682	33.8
229.23470	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	229.1798
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03935	3.6
55.05262	3.9
55.05511	70.1
57.03426	5.3
57.07061	9.2
59.05009	18.0
67.05505	36.2
69.03429	22.3
69.07061	25.7
69.18441	2.8
70.34449	8.7
71.04990	15.4
79.05480	8.7
81.03400	4.1
81.07053	34.6
83.04980	69.7
83.08617	47.4
85.06541	36.7
87.04454	5.7
91.05453	10.1
93.07047	24.6
93.47680	2.7
95.04948	9.2
95.08608	28.3
97.06492	5.0
97.10146	7.7
99.08093	15.6
101.06015	13.5
101.15091	2.5
105.07008	11.2
107.08593	46.7
109.06488	4.7
109.10154	100.0
111.08074	9.1
113.05927	5.0
119.08588	17.3
121.10131	16.6
123.08003	3.3
123.10799	3.5
123.11703	55.1
125.09643	20.1
127.11197	38.5
131.08542	3.0
132.08177	2.5
133.10127	13.6
135.11702	41.8
137.09602	6.6
139.11105	2.7
141.07082	3.0
141.12706	3.4
143.08438	2.9
145.10156	4.1
147.11707	4.1
149.13275	21.4
151.11151	15.5
151.14854	2.6
153.12766	13.8
155.08533	5.2
155.10689	2.8
159.11661	3.1
167.14307	47.3
169.06363	2.4
169.12244	58.9
171.13771	3.6
173.13295	5.0
175.14880	15.4
182.19548	3.0
185.15335	9.7
193.15889	29.3
201.12752	3.0
211.15094	3.9
211.16924	89.5
229.08594	3.6
229.12260	13.3
229.15858	6.7
229.17961	13.7
229.19846	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	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
51.33854	1.8
53.03938	3.5
53.14899	2.1
55.01860	3.8
55.05511	74.0
56.96547	3.2
57.03424	3.4
57.07080	10.6
59.04996	14.0
67.05503	33.2
69.03426	18.0
69.07064	30.7
70.72642	4.2
71.04985	13.7
79.05480	7.9
81.07055	27.4
83.04981	65.0
83.08619	43.5
85.06535	37.1
87.04433	3.1
88.48420	1.7
91.05470	8.1
93.07046	23.7
95.04966	9.4
95.08608	29.3
97.06537	3.7
97.10178	9.6
98.97573	10.6
99.08092	16.6
101.06031	12.0
101.38565	1.7
105.07016	11.3
107.08592	38.4
109.06519	4.9
109.10152	100.0
111.08064	10.7
113.06036	2.5
113.09644	2.0
116.91703	2.1
116.98633	4.9
117.07009	2.1
119.08591	15.6
121.10126	13.7
123.08028	3.1
123.11704	41.3
125.09622	20.9
125.13239	2.4
127.11187	35.2
129.06911	1.8
131.08554	5.6
133.10150	14.3
135.11693	31.7
137.09587	5.1
139.11292	1.9
141.06969	3.5
141.12775	1.8
143.08546	2.4
145.10123	7.0
147.11707	3.9
149.13235	15.5
151.11168	8.1
151.14818	5.5
153.12747	15.2
155.08456	3.3
155.10626	2.5
157.10114	3.2
158.99617	4.6
159.11671	8.6
167.14302	41.8
169.12238	51.1
171.11627	2.8
171.13785	3.1
173.06053	2.0
173.09644	2.9
173.13216	4.8
175.14836	13.5
183.11690	3.4
185.13281	2.1
185.15323	10.2
186.09013	3.8
187.11111	2.0
187.14787	3.0
193.15886	25.3
196.12605	2.3
201.09094	1.8
211.15134	2.7
211.16916	77.2
217.09088	2.8
221.20773	1.7
229.08752	3.4
229.12265	4.0
229.15814	13.1
229.17987	12.9
229.19601	7.9
229.23564	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	229.1223
Annotation	Mansonone C
Peak:m/z	Relative Intensity
52.96471	0.8
53.03943	5.1
55.05493	2.9
56.96557	1.1
57.07069	1.0
65.03941	1.3
67.05499	5.2
69.03429	22.8
69.07047	2.5
69.17389	0.7
79.05477	2.8
81.03415	1.9
81.07061	4.4
83.05000	3.5
83.08607	2.0
85.14811	0.6
87.94691	0.7
91.05481	8.8
93.03381	0.9
93.07050	8.1
95.04950	1.6
95.08607	2.0
96.59342	0.6
97.02888	1.0
97.10139	1.4
103.05530	0.9
105.07030	8.8
107.04899	0.8
107.08577	2.6
109.02884	19.5
109.06504	2.4
109.10158	3.9
115.05450	2.0
116.06242	1.3
117.07001	3.2
119.08572	10.3
121.06498	9.8
121.10126	2.4
123.08067	0.8
125.09651	1.7
128.06241	2.7
129.06990	4.9
130.07797	1.9
131.08565	15.9
133.10130	13.4
135.08064	2.2
135.11755	0.9
141.06978	2.0
142.07739	4.0
143.08557	15.8
144.09329	5.1
145.06459	4.7
145.10124	14.4
147.08015	1.5
147.11681	2.0
153.06978	2.5
154.07657	1.2
155.08551	7.9
157.10133	4.4
158.07266	2.7
158.10919	16.8
159.08061	9.8
159.11684	14.4
161.09671	1.3
167.08585	1.2
168.09364	5.2
169.10118	2.8
170.10934	7.4
171.08067	9.6
171.11717	1.7
172.08839	10.1
173.05980	1.0
173.09633	38.4
173.13258	45.3
174.13762	0.8
175.07607	1.9
178.07736	1.2
181.06511	1.1
181.10117	1.1
183.11681	9.2
185.09616	2.6
185.13272	3.5
186.10393	23.5
187.07698	3.4
187.11185	64.4
187.14717	2.0
189.11174	0.9
193.10083	2.1
196.08844	7.2
199.07547	2.4
201.12747	58.5
211.11176	13.9
211.14798	1.4
211.16731	0.8
214.09946	4.3
229.12247	100.0
229.15593	5.3
229.19456	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.3
55.01860	9.0
55.05512	34.9
56.96566	12.5
57.03437	43.8
57.07063	6.6
59.04992	2.9
61.02909	7.7
65.03934	1.7
67.05502	22.4
69.03429	100.0
69.07065	11.9
69.72144	11.4
70.06583	5.3
71.01339	9.0
71.04987	26.5
73.02913	17.1
79.05487	13.8
81.02974	2.8
81.03418	41.2
81.07038	16.3
82.41728	2.0
83.04978	23.4
85.02902	63.8
85.06542	35.0
86.00705	1.7
86.09721	1.9
87.04456	4.2
91.05476	20.8
93.07040	14.5
95.04441	1.7
95.04964	14.2
95.08615	7.2
97.02896	39.0
97.06522	11.1
98.06061	4.1
98.20815	3.3
98.97581	12.6
99.04456	17.6
102.98278	2.0
105.07030	8.0
107.04944	8.5
107.08591	3.8
109.02886	11.5
109.06523	14.9
109.10192	2.7
110.97559	1.8
111.04448	14.4
111.08051	3.7
116.98614	5.0
117.07001	3.8
119.01839	3.8
119.04946	2.3
119.08579	10.9
121.06532	10.7
123.04408	2.4
123.08070	8.9
126.05498	4.7
127.03924	39.6
129.05479	21.4
133.06465	4.8
135.08054	6.9
137.05988	3.9
137.09688	2.5
139.07506	5.4
145.04980	8.8
147.08037	6.6
151.03929	1.9
151.07555	5.3
154.94131	2.0
156.03308	3.0
157.03639	7.0
163.07571	4.3
165.09079	2.3
167.06950	4.6
174.04456	2.1
175.04718	4.7
183.07741	2.8
183.14963	4.9
186.04390	5.2
187.04698	10.9
193.08569	4.1
204.05367	2.8
205.05807	8.4
205.98724	3.4
211.07568	2.7
211.09538	3.5
228.97972	3.3
229.03001	2.9
229.05087	3.2
229.08337	7.7
229.10695	10.0
229.15596	16.0
229.19868	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	227.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
55.05267	2.5
55.05513	36.4
56.96553	8.7
57.03445	2.4
57.07078	25.7
67.05510	16.2
67.99754	2.0
69.06721	3.2
69.07072	51.3
70.73626	6.2
71.05004	3.8
71.08632	11.6
71.30247	1.9
77.00896	2.5
79.05493	13.2
81.07056	30.8
83.04981	4.6
83.08623	26.1
84.15379	2.2
85.06517	3.5
85.10166	5.7
91.05465	4.6
93.07052	17.3
94.04132	2.6
95.01898	2.5
95.08607	32.1
97.06521	11.5
97.10169	16.7
99.04470	2.1
100.11256	10.2
105.07024	6.0
107.08601	13.0
109.10156	14.1
111.08081	8.0
111.11716	8.6
113.09663	3.1
115.07578	2.7
119.08569	2.7
121.06591	2.4
121.10141	14.5
122.03627	5.3
123.11696	5.2
125.09660	12.9
125.89977	2.5
127.07517	7.7
127.11237	2.6
131.08559	6.4
133.10159	2.7
135.11690	17.5
137.05988	100.0
138.06314	21.6
139.11159	7.3
142.07794	2.4
143.08556	4.6
149.13281	6.1
153.09152	3.2
153.12706	7.2
157.10130	12.9
159.11783	2.4
167.07042	3.5
171.11659	6.5
174.09790	3.7
181.73407	2.3
182.60301	2.8
183.10339	17.7
183.60133	12.7
185.13315	4.9
191.17970	14.5
191.60736	5.0
192.10880	17.5
192.60674	7.8
194.61057	4.8
195.11023	2.8
199.11684	2.3
203.61543	3.2
207.07083	2.2
209.16563	2.3
209.18988	5.8
212.11455	2.8
213.11514	4.1
226.12918	5.6
227.07114	2.5
227.12903	8.7
227.17993	23.8
228.26851	4.1
229.14705	7.5
230.14221	5.2
246.15471	5.7
247.15771	4.7
248.15372	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	228.1961
Annotation	Andrachcinidine
Peak:m/z	Relative Intensity
53.03946	0.3
55.01861	0.8
55.05502	0.8
56.96565	2.5
57.03429	0.6
57.07080	0.3
58.06590	0.6
60.08159	0.3
61.02916	0.5
62.06096	0.2
65.03941	0.2
67.05497	0.3
69.03441	1.3
69.03739	0.2
69.07060	0.8
70.05399	0.9
70.06598	1.8
70.98117	0.4
71.04993	0.3
72.08153	0.4
73.02924	2.1
73.06544	0.4
74.02435	0.3
76.07645	0.3
79.05484	0.6
81.03407	0.7
81.07045	0.7
82.06564	0.2
82.99828	0.2
84.08134	0.7
84.95973	0.2
85.02908	2.0
85.96468	0.2
86.09733	0.3
87.04462	0.3
88.07623	1.3
89.00903	0.2
91.05488	0.3
93.07045	1.4
95.08601	1.0
97.02902	1.6
97.06523	0.2
98.97591	1.3
99.04429	0.6
101.00871	0.8
107.04923	0.2
107.08605	1.0
108.08107	0.2
109.02864	0.5
109.10139	0.4
110.03683	0.2
110.97533	0.3
115.02374	0.2
116.98578	0.4
119.01909	1.1
121.10146	0.7
122.05994	0.3
122.09681	0.2
123.02916	0.3
123.04457	0.4
127.03908	0.6
128.98643	0.4
131.01913	0.5
132.03383	0.2
133.01723	0.4
136.03859	0.2
136.07549	0.3
137.05988	0.2
139.03902	0.7
141.02101	0.2
142.08633	0.9
143.01895	1.2
144.98065	0.6
145.03510	0.4
146.99658	0.3
147.01329	0.2
147.03101	0.3
147.05807	0.5
148.02078	0.2
148.03879	0.2
149.01201	0.4
150.05486	0.8
153.03931	0.4
155.01794	0.7
156.03386	1.3
157.03386	0.3
158.99722	0.3
161.02928	1.3
162.99126	0.6
163.06290	0.3
164.07071	0.4
164.14366	1.2
167.03404	0.4
167.07043	0.3
168.01883	0.3
168.03323	0.5
168.07477	0.4
170.05164	0.8
170.15381	0.6
173.02994	0.5
174.04399	0.7
177.02290	0.4
178.04906	0.3
182.04622	0.3
182.08098	0.3
182.15416	2.1
183.04970	0.3
185.02930	0.7
186.04457	1.2
186.05963	0.3
187.00919	0.2
187.02792	0.3
187.04549	0.3
192.06543	0.5
196.06093	0.3
200.05568	0.2
203.04047	0.5
204.05446	0.8
205.00125	0.2
205.03842	0.3
210.07599	0.6
210.18509	1.2
219.01736	0.3
221.05054	0.4
223.01251	0.6
223.04849	0.5
228.05260	0.9
228.19592	100.0
229.15445	2.6
229.19931	0.7
245.05196	0.4
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
50.49760	1.6
53.03934	3.5
55.01868	6.7
55.05512	18.5
56.96567	19.4
57.03431	6.7
57.07068	6.9
59.04994	6.2
61.02926	2.3
62.53372	1.8
65.13987	2.1
67.05511	10.0
69.03424	12.6
69.07071	20.3
69.83281	1.8
71.05002	24.9
71.12083	3.2
73.02912	2.2
73.06550	1.9
79.05489	13.6
80.87651	2.3
81.03415	3.6
81.07067	21.4
83.04967	7.8
83.08627	10.4
84.96034	2.1
85.02902	7.2
85.06549	7.3
86.09709	3.3
87.04465	4.5
89.03906	2.4
90.39139	1.7
91.05477	18.4
93.07054	29.2
95.04971	100.0
95.08616	15.8
97.02898	14.7
97.06532	24.5
97.10173	8.3
98.97591	14.9
99.04466	15.6
99.08098	34.7
100.11258	5.0
101.00883	2.1
103.05474	7.9
105.07021	12.0
106.04167	3.4
107.04971	6.3
107.08599	23.2
109.02871	2.5
109.06522	16.5
109.10139	11.1
110.97597	3.1
111.04462	5.2
111.08076	7.4
111.11666	1.7
113.05959	2.4
113.09641	4.2
115.03937	2.1
115.07565	21.6
116.61700	2.2
116.98612	5.0
117.03418	2.8
119.01931	5.0
119.04933	1.7
119.08604	5.6
121.06525	26.1
121.10133	16.5
123.04442	7.2
123.08115	2.4
123.11698	7.3
124.99109	2.2
125.05991	2.8
125.09619	9.2
127.03907	3.4
127.07568	14.7
128.98592	3.6
131.01921	3.0
131.04987	3.8
131.08568	5.5
133.10143	36.2
135.04428	6.8
135.08054	7.6
135.11699	6.3
137.05965	7.7
137.09547	2.6
139.03928	3.7
139.07487	2.3
139.11194	11.8
140.04707	2.4
143.00168	6.4
143.01819	2.0
143.10674	3.5
145.10153	2.3
147.11710	8.1
148.05212	2.5
149.06010	10.0
149.09602	3.5
149.13254	11.5
151.03911	3.4
151.11177	7.1
153.05499	1.8
153.09126	29.2
155.06972	2.0
158.99637	3.6
159.04335	2.1
161.01221	6.1
161.02940	3.4
162.05321	3.0
163.03911	20.0
163.14850	5.2
164.04198	3.3
164.88243	1.8
165.12889	2.3
167.05626	2.6
167.07045	43.4
171.06439	2.1
171.10165	14.1
173.02963	2.2
173.13277	16.1
174.99239	2.0
177.00772	2.9
177.05490	16.4
181.05000	4.4
184.05214	7.6
185.01268	2.4
185.02867	3.1
189.00737	4.7
191.10501	2.4
191.14301	11.4
193.01675	2.3
193.08446	1.8
194.05875	4.7
195.03221	2.6
195.06548	10.8
201.00790	2.3
203.04070	2.0
207.01826	2.7
209.04544	1.6
209.08121	18.8
209.11429	2.0
209.15315	11.9
211.02745	2.5
212.04767	11.2
213.04399	2.5
219.01691	2.7
224.21721	1.8
227.07076	21.2
227.09013	4.5
227.12616	4.8
227.16379	44.5
227.20010	2.4
228.19473	1.9
231.01825	2.8
233.06564	2.4
245.03305	2.4
249.02881	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03936	4.5
55.01859	5.1
55.05507	16.6
57.03415	5.1
57.07064	4.6
59.04985	4.0
65.03914	2.4
67.05502	13.4
69.03434	6.3
69.07066	21.6
69.94498	10.0
71.04993	25.7
73.02901	7.5
79.05495	14.7
81.03384	3.7
81.07054	24.2
83.04968	7.6
83.08604	7.6
85.02901	4.7
85.06520	8.6
87.04441	2.6
91.05477	13.4
93.07043	31.9
95.04968	100.0
95.08135	1.9
95.08613	21.4
97.02847	2.4
97.06536	37.3
97.10172	2.7
98.97578	11.0
99.04454	42.4
99.08086	12.3
100.11263	26.5
103.05466	6.4
105.07026	20.8
107.04942	4.7
107.08590	29.9
109.02879	2.4
109.06532	18.4
109.10165	19.7
111.04427	2.3
111.08072	10.8
115.06777	3.3
115.07568	52.2
116.98625	3.8
117.07042	2.2
119.01869	2.0
119.08569	10.2
121.06476	12.0
121.10155	37.8
123.04437	6.7
123.08057	7.7
123.11722	15.4
125.05997	2.4
125.09613	8.5
127.03909	2.9
131.04939	2.1
131.08598	11.0
133.10129	49.7
135.08044	7.0
135.11682	7.7
137.05975	5.4
137.09607	5.7
139.07518	3.1
139.11179	11.1
140.04677	7.4
143.01883	6.9
143.08540	3.8
144.02124	2.3
145.10088	6.6
147.11649	8.7
148.05183	4.2
149.05983	8.2
149.09601	15.9
149.13255	16.7
151.11162	21.2
153.03047	2.0
153.07045	2.0
153.09113	31.2
154.12244	4.3
155.07033	7.7
156.09352	2.8
158.10876	2.2
158.99603	3.2
161.02965	6.3
163.11209	2.7
163.14812	7.9
165.12704	2.3
166.07791	4.9
167.07074	54.0
167.08533	9.3
167.10651	16.7
167.14380	1.9
169.08583	4.0
169.12326	2.3
169.47929	1.8
171.11696	3.0
171.14954	4.4
173.13269	25.0
177.05542	13.0
181.04967	12.7
181.08601	2.1
182.15375	2.1
183.13814	3.0
184.08836	3.4
191.10692	2.7
191.14299	19.8
194.05698	2.8
195.06500	2.9
195.08034	7.8
197.06036	3.2
199.11101	2.6
209.08067	15.3
209.11682	2.4
209.15298	31.0
212.08383	3.7
227.06984	6.9
227.10754	22.8
227.12688	3.5
227.16121	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	2.4
55.05494	6.7
57.03422	6.2
57.07059	5.8
59.04981	5.5
62.18564	1.7
67.05502	7.9
69.03407	4.8
69.07063	10.2
70.95477	3.5
71.04994	26.8
71.72660	1.8
74.47790	2.0
77.24049	1.6
78.04739	2.6
79.05496	8.7
80.15409	1.6
81.07061	16.0
83.04977	4.5
83.08615	4.3
85.06540	9.7
91.05478	8.9
93.07053	25.9
95.04971	100.0
95.08604	20.9
97.06532	19.4
97.10143	5.0
99.04462	22.2
99.07470	2.7
99.08096	41.7
100.11266	2.1
105.07023	12.5
106.04159	1.8
107.04942	2.1
107.08586	23.6
107.50206	1.7
109.06525	20.7
109.10147	10.9
110.50825	1.6
111.08059	7.8
113.09620	2.8
115.07582	9.2
119.01884	2.1
119.08582	8.8
121.06507	6.1
121.10152	24.5
123.04420	3.9
123.08067	1.8
123.11684	9.0
124.12083	2.0
125.06080	1.8
125.09627	7.5
127.07565	22.3
131.04869	2.5
131.08568	8.9
133.10126	46.7
135.08028	4.5
135.11691	6.6
137.05969	5.2
137.09619	5.2
139.11191	12.8
140.04698	2.2
143.01881	5.4
143.08539	2.0
143.10678	2.5
145.10097	4.5
147.11642	8.7
149.05965	5.1
149.09604	2.1
149.13246	10.6
151.11201	7.0
153.09096	30.6
158.10892	3.8
161.02966	7.3
163.14781	6.8
167.07037	37.8
167.16264	6.3
171.10228	10.4
173.13257	21.8
176.28824	1.8
177.05466	9.0
181.08574	7.9
183.06485	2.4
191.14293	14.9
209.08061	3.3
209.11961	1.7
209.15317	17.4
227.07004	2.4
227.16391	37.9
227.18365	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03928	1.4
55.05499	5.6
55.49864	1.0
56.96560	2.2
57.07059	1.8
57.66746	1.0
59.04988	2.1
65.03925	1.9
67.05495	4.9
69.03416	3.9
69.06708	1.4
69.07069	17.2
71.04338	1.7
71.05012	2.7
79.05495	10.8
81.07063	29.7
83.04983	1.8
83.08638	2.4
84.96034	1.9
85.02914	1.3
87.04471	14.2
91.05486	53.2
93.07048	39.8
95.04946	4.9
95.08607	10.1
97.06532	3.3
98.97594	9.2
100.11234	4.7
105.07040	14.9
107.04963	1.9
107.08612	7.3
109.06485	3.8
110.97560	4.6
111.08126	1.4
111.11687	4.3
112.99124	4.9
116.98630	3.1
117.28941	1.2
119.08585	5.0
121.06470	2.4
121.10151	68.4
123.04442	1.7
123.08082	5.8
123.11716	59.0
124.99100	1.9
125.09630	2.5
128.98639	3.0
131.00130	3.7
131.08530	2.2
133.07596	2.7
133.10123	3.0
137.09634	2.6
137.13199	1.2
139.11212	3.5
140.04709	2.2
141.91008	1.2
143.00175	2.3
145.10103	1.5
147.11705	9.4
149.01302	1.5
149.06029	1.9
149.09624	36.1
149.13191	2.1
151.11191	31.5
153.09079	2.4
155.07024	3.7
165.12746	7.4
167.07018	12.9
167.10687	100.0
173.01270	1.9
173.13234	2.1
177.05504	2.4
181.04930	4.7
185.01176	4.4
190.10245	1.1
191.14294	3.3
195.06604	1.5
203.02257	5.3
203.04050	1.5
206.09837	1.3
209.08223	6.0
209.15359	4.4
215.10251	1.4
227.06956	1.5
227.16432	4.1
245.03279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01885	0.9
55.05512	5.5
56.02648	0.7
56.96564	0.8
57.07086	0.9
57.99237	0.6
62.26784	0.6
65.03954	0.7
67.05505	22.7
69.03423	0.7
69.07073	3.6
70.39575	1.4
70.39928	1.8
71.04994	100.0
79.05495	11.1
81.07058	34.6
83.04993	1.9
83.08624	3.0
85.02909	1.2
85.06549	3.1
86.91190	0.7
91.05479	5.8
93.06463	1.1
93.07047	18.0
95.04970	2.1
95.08611	16.0
97.06548	4.0
97.10181	2.2
99.08127	1.0
100.11284	2.6
105.07025	3.2
107.08597	6.9
109.06541	1.6
109.10161	1.8
111.08103	2.6
117.07027	3.9
119.08588	1.5
121.06551	1.3
121.10156	3.1
125.09666	2.2
129.07010	1.4
131.08574	5.9
133.10141	4.3
135.08063	1.2
135.10646	1.1
135.11693	11.3
142.07767	1.0
143.08588	1.0
149.05771	0.8
149.13275	4.1
157.10136	5.9
159.11682	6.7
167.07120	1.5
171.10390	0.7
171.11691	4.1
177.12762	3.7
185.13327	2.3
189.11279	0.8
195.13794	1.5
209.15347	1.6
227.10695	1.1
227.12782	2.1
227.14615	1.2
227.17969	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03927	1.6
55.01869	5.7
55.05510	4.6
57.03429	5.2
57.07064	3.7
59.05008	1.5
63.87692	1.1
67.05505	7.4
69.03411	2.4
69.07069	8.4
69.51428	10.3
71.04990	12.6
75.03029	1.2
75.04472	4.8
78.92475	1.2
79.05489	6.0
81.07043	8.6
82.73949	1.1
83.04991	2.3
83.08614	4.0
85.06535	6.7
86.09707	2.3
90.50002	1.2
91.05467	3.4
93.07053	12.0
95.04969	100.0
95.08605	9.7
96.05280	1.2
96.08669	1.1
97.06532	17.3
97.10201	2.3
98.97580	1.5
99.04452	18.2
99.08099	9.9
100.11266	5.8
105.07011	6.9
107.08585	12.9
109.06525	11.5
109.10151	6.0
111.08075	3.4
112.33293	1.2
113.05949	1.6
115.07558	5.2
117.07066	1.8
119.08565	4.8
121.06542	1.5
121.10143	9.8
123.08060	3.2
123.11713	3.3
125.09624	4.0
127.07542	6.8
131.08537	3.0
133.10132	18.6
135.08054	3.7
135.11665	2.9
137.05939	2.0
139.11179	8.4
141.45854	1.3
145.10097	2.3
147.11700	2.7
149.09647	1.8
149.13246	4.6
151.07558	2.3
151.11102	1.6
153.09103	24.8
155.07010	1.5
161.11945	1.2
163.11206	3.8
163.14789	4.1
167.07025	7.2
167.16264	9.8
169.04939	2.4
169.08601	15.5
171.10211	5.8
173.13245	8.4
181.12114	2.1
182.15431	2.0
191.14297	11.0
206.09631	2.7
209.08034	1.5
209.11890	1.6
209.15317	14.8
227.09041	1.6
227.12709	2.5
227.16153	9.8
227.18417	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03940	3.4
55.01865	3.4
55.05511	10.2
56.96561	2.4
57.03429	7.6
57.07078	3.2
59.04993	6.2
62.54391	1.5
67.05512	13.3
69.03428	7.5
69.07069	12.9
71.04992	28.1
71.52702	2.4
71.53038	1.9
73.02911	1.9
73.06564	1.6
76.74681	1.7
79.05491	13.5
81.03420	2.6
81.07054	20.1
83.04982	5.9
83.08607	5.0
85.06573	8.9
86.09718	2.2
91.05487	8.8
93.07043	24.3
95.04968	100.0
95.08609	25.2
97.06535	19.2
97.10160	4.9
98.97587	9.5
99.04456	21.0
99.08096	38.0
100.11275	11.5
103.05503	2.1
105.07024	14.9
107.08601	28.0
109.06535	17.3
109.10189	10.6
111.08086	5.7
113.05999	1.8
113.09679	3.3
113.80454	1.6
115.07568	12.0
117.06971	3.2
119.08597	9.3
121.06504	4.5
121.10136	21.9
123.04442	4.4
123.08052	5.0
123.11721	7.8
125.09635	12.9
127.07561	18.0
131.08574	7.9
133.09119	2.3
133.10127	45.7
135.08054	5.8
135.11723	4.9
137.06029	2.0
137.09631	5.0
139.11186	16.8
140.04713	3.7
143.08577	4.8
143.10701	2.6
145.10115	4.6
147.11702	8.5
149.05983	3.7
149.09625	3.1
149.13245	15.1
151.11183	5.8
153.09128	29.6
155.07028	3.4
157.10176	2.3
158.99669	3.2
163.14821	5.2
165.12750	2.4
167.07100	18.8
167.08554	4.6
171.10161	8.8
171.11629	3.6
171.74667	1.9
173.13257	17.2
177.05553	4.8
181.04907	4.6
183.06537	2.6
183.99576	1.8
185.13356	2.0
191.10634	2.0
191.14276	13.7
195.08041	2.4
209.08066	4.6
209.15286	10.3
227.07135	1.8
227.10701	4.0
227.12677	2.6
227.14389	2.0
227.16289	40.2
227.19977	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01876	1.6
55.05505	1.9
56.96553	0.6
61.15694	0.3
65.03930	0.6
67.05490	0.9
68.99795	0.5
69.03419	0.9
69.07045	1.0
71.04986	0.7
71.61033	0.5
73.02930	0.4
78.04704	0.7
79.05491	1.9
81.03411	0.8
81.07043	1.4
81.17176	0.3
83.04970	0.5
83.08620	0.5
86.09685	0.5
91.05481	4.1
93.03382	0.6
93.07040	4.2
95.04964	3.3
95.08611	0.8
97.02901	0.5
97.06501	1.0
98.97573	1.9
99.04455	0.5
100.11250	4.3
103.05466	3.6
105.07014	0.7
106.04192	0.6
107.04959	2.2
107.08580	0.8
109.02854	0.6
109.06519	0.5
109.10139	0.8
110.41987	0.3
111.04500	0.5
111.08069	0.4
116.98605	0.8
119.04940	0.6
119.08487	0.3
120.05729	0.7
121.06504	13.0
121.10139	0.9
123.04418	2.8
123.11685	0.3
124.05248	0.4
125.05989	1.1
125.09623	0.6
129.07033	0.5
131.04924	0.9
133.02885	0.4
133.10168	0.8
134.03627	0.5
135.04417	1.0
135.08014	0.4
136.05156	0.5
137.05966	1.1
139.07518	0.4
140.04701	1.9
141.06999	0.3
147.04414	1.0
147.11647	0.3
148.05188	4.8
149.05981	6.6
151.03888	1.3
152.04726	0.4
153.05467	1.4
153.09131	0.5
155.07019	1.3
157.06476	0.7
158.99673	0.4
159.05614	0.6
163.03854	0.7
163.11183	0.4
165.05453	0.5
166.06326	1.7
166.07487	0.4
167.07036	14.0
169.06607	0.3
173.13231	0.4
176.04706	0.6
177.00661	0.4
177.05461	14.2
178.06140	0.4
178.09879	1.2
179.03365	0.3
181.04988	0.8
181.08624	5.7
185.06070	0.3
191.10651	0.5
191.14264	0.4
194.05766	3.4
194.09325	0.4
195.06503	7.0
195.08185	0.4
199.11201	0.6
209.08081	14.2
209.11697	1.1
209.16563	0.6
227.12532	100.0
228.12976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.06999	0.9
54.70818	0.9
55.01624	1.9
55.01873	32.7
55.05497	4.4
55.73156	1.0
57.03439	1.4
57.07058	3.1
58.35393	0.9
67.05195	1.0
67.05506	9.5
69.03412	3.8
69.06718	1.3
69.07071	18.3
69.58224	4.6
69.58634	3.0
70.38985	0.9
71.05001	5.4
73.02902	1.1
79.05497	8.5
81.03385	1.1
81.07055	11.3
83.04974	2.9
85.06548	15.5
91.05487	5.2
93.07043	13.4
95.04974	12.6
95.08040	1.8
95.08605	25.7
97.06534	18.2
98.97605	1.1
99.04457	7.6
99.08085	1.2
100.11227	4.1
102.63641	1.1
105.07038	12.0
107.04958	1.7
107.08600	37.0
109.06519	8.8
109.10149	1.7
111.08048	2.8
113.06020	4.7
119.08582	3.6
121.06534	5.3
121.10144	10.7
122.13922	0.9
123.08075	14.2
123.11664	1.1
125.06012	1.3
125.09610	1.4
127.07660	1.1
131.08592	1.3
131.58238	1.0
133.06476	1.4
133.10126	2.7
135.08034	1.6
135.11681	7.3
139.11200	2.5
143.08575	1.0
145.10158	6.0
149.09618	3.6
151.07550	13.0
153.09094	2.3
163.11171	18.2
167.07013	2.1
167.10683	6.2
167.16199	3.9
169.08604	100.0
173.09615	1.8
175.23364	1.0
177.05472	1.7
181.12251	10.0
191.10680	6.1
191.14233	1.9
209.11676	4.7
227.12726	8.0
227.16286	1.9
227.18423	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	3.5
54.87778	1.3
55.01872	9.7
55.05505	9.2
56.96556	7.9
57.03418	6.3
57.07067	3.6
58.49231	1.5
59.04990	4.0
61.02907	4.7
65.03954	9.1
67.05505	12.3
68.99763	2.0
69.03419	6.1
69.07067	9.9
70.72400	4.0
71.04994	18.3
73.02915	24.3
73.06531	2.1
75.04452	1.3
76.86391	1.5
79.05496	14.5
81.03392	2.9
81.07055	13.4
82.04215	2.0
83.04987	7.6
83.08598	5.3
84.96003	2.6
85.02908	7.1
85.06526	16.5
86.09708	3.6
88.14102	1.4
91.05482	18.6
93.03399	3.0
93.07041	24.3
94.04175	1.5
95.04967	89.6
95.08617	10.8
97.02900	3.7
97.06540	14.9
97.10175	3.6
98.97575	19.6
99.04452	11.9
99.08105	18.3
100.11253	16.1
103.05476	7.1
105.04533	1.6
105.07015	9.5
106.04161	3.1
107.04944	13.2
107.08592	18.7
109.02872	2.7
109.06508	14.4
109.10127	5.2
110.03670	3.6
111.04440	6.8
111.08067	4.2
113.09616	1.7
115.07555	2.9
116.98613	7.1
117.07024	2.4
119.04926	2.6
119.08592	7.2
120.05634	2.0
121.02883	3.2
121.06509	27.7
121.10153	14.3
123.04427	15.8
123.08056	2.1
123.11686	3.5
124.05172	2.0
125.02393	2.4
125.05965	6.9
125.09644	9.6
126.93281	1.4
127.05287	1.5
127.07552	5.9
128.30074	1.6
128.98567	1.6
131.04926	4.2
131.08592	8.7
133.02812	2.1
133.10135	19.3
134.03688	2.5
135.04355	4.1
135.08018	4.4
135.11700	5.1
137.05954	2.9
137.09634	3.1
139.03958	3.8
139.11174	7.1
140.04686	35.1
142.02631	2.7
143.00172	1.8
143.10637	4.2
145.10106	3.8
147.04301	2.4
147.11676	4.3
148.05183	20.3
149.04912	2.1
149.05978	19.8
149.09613	8.3
149.13234	5.5
151.03865	6.3
151.04980	1.5
151.07500	2.1
151.11157	3.1
153.05440	8.8
153.09079	23.1
155.07021	45.9
158.10806	1.6
158.99641	4.7
163.03838	2.5
163.11176	4.4
163.14807	3.9
165.05435	2.0
165.12787	3.0
166.06276	3.0
167.07037	48.5
167.10669	5.0
171.06482	3.1
171.10208	11.7
173.13266	7.5
176.04651	4.2
177.00691	5.1
177.05475	19.6
179.06990	2.5
181.04961	71.4
181.08601	3.4
183.06474	1.6
184.05208	2.6
191.10658	5.7
191.14284	6.4
194.05772	21.4
195.04704	2.2
195.06483	44.5
195.10181	2.7
207.05804	2.2
209.08090	100.0
209.11745	6.9
209.15189	11.6
212.04604	4.3
227.06998	6.6
227.09094	22.7
227.12685	4.9
227.16296	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02385	0.6
51.94795	0.6
53.03933	1.6
55.01867	1.0
55.05509	3.0
56.96555	6.8
57.03427	1.6
61.02911	0.8
65.03944	0.6
67.05488	1.4
69.03420	2.6
69.07059	2.4
69.98869	1.2
69.99237	2.2
70.06598	1.4
73.02898	2.8
77.03922	0.8
78.04698	3.1
79.05484	3.4
81.03424	1.0
81.07042	0.9
83.04985	0.8
83.08606	0.9
84.04507	1.5
85.02897	2.4
87.04408	0.7
89.03917	1.9
91.05482	6.0
93.07065	4.6
95.04967	3.5
95.08608	0.7
97.02886	1.9
97.10162	1.3
98.97584	6.2
99.04451	1.1
100.11282	1.3
103.05483	6.8
105.03390	1.4
105.04527	0.9
106.04180	3.1
107.04942	4.6
107.08595	0.9
109.06482	1.3
110.03641	0.7
110.97604	1.2
111.04456	0.8
112.07589	0.7
112.99108	0.8
116.07122	1.6
116.98605	2.2
117.03377	1.6
119.01855	1.5
119.04945	1.7
121.06515	12.5
122.03642	1.0
123.04429	8.7
124.05237	2.8
124.99164	0.6
127.03899	0.7
128.02353	0.9
128.98590	1.6
131.04912	7.0
133.02847	1.4
134.03630	2.7
135.04402	3.2
136.05202	0.7
137.05969	10.4
140.04730	3.2
141.02158	0.7
143.00151	2.0
145.01845	0.6
145.02734	3.0
146.04091	1.0
147.04430	1.3
148.05185	2.2
149.05986	15.4
150.05498	0.8
151.03867	1.5
151.05835	1.4
152.04683	1.8
152.07080	1.0
152.28116	0.7
154.69690	0.6
155.04657	3.4
155.07021	1.6
156.03302	7.3
158.99661	2.0
159.03268	0.8
159.04395	3.5
161.01225	1.0
163.03900	8.6
163.07503	1.1
165.05481	1.1
167.07039	100.0
168.03343	1.7
168.07445	1.3
169.04459	0.7
172.95268	1.2
174.04393	5.2
176.04756	1.0
177.05475	26.5
178.06157	1.2
181.08598	1.5
185.01288	0.7
185.02968	0.9
186.04390	9.9
189.00670	0.7
191.04034	0.7
191.07056	1.9
192.05409	0.7
194.05618	0.9
204.05450	8.0
209.08075	8.5
227.06943	2.5
228.05479	1.7
231.01744	1.3
249.02921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.18
Annotation	Adalinine
Peak:m/z	Relative Intensity
53.14843	0.3
55.05513	0.9
58.06597	5.5
58.11547	0.4
67.05492	1.2
69.48917	3.3
81.07053	5.8
84.04507	2.6
84.08137	4.6
85.81027	0.4
89.47825	0.4
93.07030	0.5
95.08589	1.9
98.21481	0.8
100.11255	0.9
102.05573	0.4
104.40727	0.5
110.09634	0.4
123.11699	5.6
166.15910	72.4
167.16113	0.5
186.83310	0.4
226.18007	100.0
227.18254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	4.0
55.01858	4.5
55.05496	4.2
56.96552	4.7
63.25979	1.0
65.03936	8.8
67.05498	5.4
69.03419	3.4
69.07055	2.3
69.67425	8.2
73.02914	41.2
77.03934	1.2
79.05482	5.3
81.03414	1.8
81.07040	3.0
82.04181	2.4
83.04977	1.9
85.02895	6.2
91.05491	8.6
93.03394	2.9
93.07034	7.5
95.04967	9.4
97.02878	2.3
97.06544	3.5
98.97592	12.6
100.11278	9.5
103.05473	3.4
107.04951	3.5
107.08595	4.6
109.06506	4.9
110.03632	3.9
110.97563	1.7
111.04466	2.0
116.98622	3.6
119.04884	1.7
121.06522	10.9
123.04435	10.5
124.05210	1.5
125.02367	4.2
125.05986	4.7
128.98578	1.2
131.08530	1.2
135.04375	4.4
136.05177	1.9
137.05981	3.6
138.03096	1.5
138.69946	1.1
139.07536	5.1
140.04680	51.1
142.02638	3.5
148.05191	1.6
149.05968	5.6
151.03891	1.6
152.04666	3.0
153.05492	5.6
155.07034	67.3
158.99680	3.8
163.03883	5.1
166.06261	9.6
167.07047	42.8
171.06506	4.8
173.08119	2.0
177.00697	3.3
177.05450	9.3
178.06244	17.0
179.06979	2.6
181.04962	100.0
181.08517	9.1
183.06493	2.3
184.05214	1.8
186.07216	3.3
195.06334	5.6
195.08022	1.5
206.05170	1.8
209.08095	33.9
212.04726	2.1
215.05818	1.4
227.06969	5.3
227.09131	19.2
227.12524	9.7
227.17647	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03933	4.5
55.01880	2.8
55.05518	9.2
57.03425	3.5
57.07075	2.6
59.04986	5.5
61.02928	53.3
64.40092	1.5
65.03942	2.7
67.05506	15.6
69.03431	16.6
69.07070	22.0
69.99325	1.5
71.04993	23.3
71.21587	2.7
77.37347	1.7
79.05492	16.6
81.03397	6.0
81.07058	30.9
83.04611	1.5
83.04984	16.5
83.08610	4.6
85.06535	3.3
87.04471	2.6
91.05477	22.2
93.07043	25.5
95.04975	12.3
95.08610	23.8
97.02864	1.8
97.06539	13.1
99.04462	6.4
103.05411	1.7
105.03361	2.0
105.06366	2.9
105.07034	39.4
107.04952	3.7
107.08595	28.6
109.06523	34.8
109.10139	13.9
111.08075	5.1
115.07575	17.6
117.06985	4.3
119.04897	2.6
119.07773	2.8
119.08578	41.8
121.06509	9.4
121.10140	29.4
122.07262	4.0
123.04362	2.1
123.08068	23.2
123.11712	12.8
125.06023	2.3
128.06175	1.8
129.06995	2.3
131.08556	4.9
133.06522	7.9
133.10136	19.5
135.08064	6.3
135.11681	6.4
137.05965	3.3
137.08641	2.6
137.09621	37.6
137.13280	4.5
139.11089	2.3
141.09073	4.2
143.08556	2.4
145.06468	1.8
145.10109	7.7
147.04372	4.0
147.08029	9.9
147.11687	42.0
149.09610	36.7
151.07556	14.8
151.11179	30.2
156.09360	9.8
159.08064	4.7
159.11671	6.3
161.09639	9.3
161.13283	16.7
163.11203	10.0
165.09071	1.7
165.12756	37.6
167.06996	2.1
167.10622	1.9
171.11717	10.6
174.10411	8.5
177.12733	6.8
179.07031	5.3
188.39705	1.7
189.12749	26.1
193.04927	1.9
207.13817	28.8
225.14841	100.0
226.17986	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	11.0
55.01866	9.3
55.05515	27.8
57.03428	7.7
57.07080	5.4
59.05001	10.5
61.02930	47.2
61.76250	3.2
65.03940	6.7
67.05507	44.8
68.99791	4.7
69.03432	84.8
69.07071	80.4
71.01340	4.0
71.04997	48.5
71.61152	6.3
73.06551	6.3
79.05489	42.5
81.03406	15.6
81.07064	81.6
83.04990	25.2
83.08611	15.8
85.02904	5.5
85.06548	7.0
87.04455	12.3
91.05483	49.0
93.07043	71.2
95.04977	31.0
95.08620	58.1
97.02902	10.0
97.06515	31.0
99.04454	9.7
105.03416	9.3
105.07033	100.0
105.76519	3.9
107.04971	20.0
107.08599	57.6
109.06521	74.5
109.10143	33.3
111.04453	5.2
111.08090	17.7
115.07565	34.0
117.07025	10.1
119.04950	8.9
119.08582	87.9
121.06519	21.7
121.10155	58.0
122.07314	6.9
123.04450	13.4
123.08065	38.0
123.11700	17.0
125.06007	9.8
125.09628	5.1
131.08549	13.0
133.06502	18.9
133.10136	60.7
135.08072	14.9
135.11717	20.5
137.06006	12.3
137.09621	84.5
137.13237	5.6
139.03955	4.4
139.11195	17.8
141.07071	4.2
141.09137	10.6
143.08580	8.7
145.10138	17.7
146.70572	3.7
147.04436	8.3
147.08083	21.1
147.11693	85.3
149.09622	62.3
151.03973	4.6
151.07501	26.9
151.11194	66.8
153.05544	3.6
156.09322	19.1
159.08060	9.5
159.11697	14.1
161.09584	22.2
161.13255	50.2
163.03911	4.1
163.11165	23.3
165.05467	5.4
165.09125	11.2
165.12790	24.2
166.15932	6.5
167.07024	18.2
171.11673	26.5
174.10426	31.5
175.03917	7.7
177.12781	11.8
179.07039	4.4
179.14368	8.7
181.12265	15.0
182.05852	3.5
186.41463	3.7
189.12759	58.2
193.04976	5.3
193.08662	7.5
207.06557	6.9
207.10162	5.2
207.13794	48.3
225.07417	5.8
225.09256	4.4
225.11162	5.5
225.14827	65.0
225.16821	5.2
225.19681	5.9
226.17894	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	1.7
55.05508	6.2
56.96550	2.1
57.03413	1.4
57.07063	4.6
59.04982	4.4
65.03920	2.0
67.05171	1.4
67.05504	23.7
69.03423	2.1
69.07051	3.0
69.65345	9.4
71.04988	3.6
72.17942	1.2
79.05477	3.4
80.67379	1.4
81.07048	6.9
83.04980	3.5
85.02917	2.2
85.06533	7.1
91.05458	5.7
93.07043	6.8
95.04953	5.4
95.08605	100.0
97.06533	2.1
97.10129	1.9
97.81430	1.4
97.82094	1.3
98.20788	2.9
98.97578	4.9
101.06010	1.3
105.03377	1.7
105.07024	6.6
107.04950	3.0
107.08595	9.3
109.06503	4.5
109.10195	2.8
111.08032	2.4
113.06010	7.5
114.16801	1.2
119.01921	1.6
119.04898	2.7
119.08576	12.4
121.06442	2.2
121.10133	7.1
123.08061	30.5
123.11731	2.7
125.05941	1.4
125.09600	1.5
131.08545	1.8
133.06448	1.6
133.10094	2.6
135.11679	9.2
137.09586	4.7
141.09085	4.6
143.01941	3.0
145.10129	1.4
147.11673	6.1
149.09619	17.0
151.07492	4.2
151.14798	2.8
153.05446	1.5
161.09618	1.6
161.13232	8.5
163.11209	2.7
165.09128	2.6
165.12718	5.0
167.07011	3.1
167.10559	2.0
174.10425	2.9
177.05447	3.4
179.14336	4.0
189.12706	8.1
191.34593	1.5
193.04944	2.1
207.13770	14.2
225.07323	1.7
225.11198	1.8
225.14816	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03945	0.9
55.01867	1.5
55.05509	4.7
56.05032	1.9
57.03416	1.1
57.07045	0.8
59.05007	1.0
60.50793	0.8
65.03936	0.9
67.05510	7.8
69.03430	6.4
69.07059	3.2
70.95391	1.5
71.01355	1.1
71.04997	14.6
79.05505	8.4
81.06635	0.9
81.07065	8.8
83.04984	4.8
83.08624	1.0
85.02900	2.2
85.06542	1.1
87.04462	1.0
91.05479	9.2
93.07049	17.1
94.03300	0.8
95.04977	4.2
95.08608	6.2
97.02885	2.0
97.06525	3.4
97.10161	1.1
98.97581	3.6
99.04446	2.2
99.08121	0.8
103.05470	1.3
105.03413	1.2
105.07034	17.7
106.07803	0.8
107.04928	1.9
107.08603	11.7
109.06522	5.4
109.10163	17.4
111.04463	0.9
111.08075	2.7
113.02309	0.9
116.98597	1.0
117.06973	1.1
119.04938	2.2
119.08591	14.5
121.06515	3.3
121.10147	39.0
123.04448	1.4
123.08071	5.5
123.11702	2.3
124.31345	0.7
128.00800	6.1
129.07031	0.9
131.08571	3.3
133.06488	0.9
133.07625	0.8
133.10133	5.8
135.08054	2.4
135.11662	3.1
137.06003	1.3
137.09627	24.1
137.13242	1.0
139.03844	0.9
139.11203	1.3
143.08582	1.9
145.10118	3.4
147.04391	1.1
147.08043	5.1
147.11694	9.7
149.09624	100.0
150.09982	0.9
151.07588	1.7
151.11197	2.6
156.09338	3.2
158.99669	1.6
159.08046	2.1
160.08791	0.9
161.09630	2.2
161.13240	9.0
163.11211	1.7
165.09045	1.1
165.12805	5.5
169.10120	1.5
171.11719	6.2
174.10434	4.7
177.00671	1.2
179.14294	0.9
179.74899	0.9
180.04143	1.5
183.11697	1.5
189.12749	21.0
191.14383	1.4
195.11768	1.2
195.26385	0.8
207.06459	0.8
207.13795	10.9
225.07347	3.7
225.14531	4.2
225.16478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.2
55.05288	0.8
55.05513	9.0
56.96561	5.4
57.03435	7.1
57.07076	6.0
61.02927	2.0
67.05509	3.2
69.03429	5.3
70.91291	1.4
71.04990	3.1
73.02919	14.0
79.05491	1.9
81.07059	2.1
83.04533	1.0
83.04985	11.5
84.96021	1.5
85.02895	2.0
91.05490	1.8
93.07044	1.8
95.04970	100.0
95.08583	1.8
97.02315	0.6
97.02881	3.8
97.06537	1.0
98.97586	20.3
99.04456	7.1
105.07037	1.6
107.04946	1.4
107.08595	3.0
109.06517	1.9
109.10159	2.2
110.97573	6.8
111.08064	1.0
112.99137	1.0
115.03934	2.2
116.98614	4.9
119.04968	1.2
119.08595	1.7
120.26054	0.6
121.10134	2.3
123.04453	0.8
123.08080	2.4
123.82195	0.6
124.99121	1.3
125.01806	1.2
125.05992	1.0
125.09649	1.3
128.98598	4.0
137.05971	1.2
137.09625	0.9
139.11101	0.6
140.02295	0.9
140.98628	1.1
143.00194	1.7
146.02310	1.3
146.99649	1.0
147.04391	1.8
147.11717	1.1
149.09627	1.3
151.07581	0.7
152.98613	1.2
153.09097	22.6
155.02858	1.3
157.26700	0.7
158.99664	4.2
161.01222	0.7
161.13278	1.0
162.99080	0.8
163.11208	2.2
164.03403	0.8
165.05455	1.3
165.12770	0.6
167.02882	1.1
167.07024	0.7
170.99684	4.3
175.04001	1.9
176.03426	1.0
177.00726	1.8
179.58923	0.6
180.04196	1.3
182.15367	1.1
183.06668	0.7
189.00676	4.8
189.12776	1.3
193.04976	1.6
194.26118	0.7
201.00746	1.0
204.06537	2.8
207.06508	2.0
207.13835	2.0
213.07004	7.5
213.57272	1.1
219.01735	3.0
222.07576	3.6
225.07581	1.6
225.11043	1.0
225.14848	8.9
231.01816	1.3
234.63080	0.6
237.02870	2.1
249.02841	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	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01867	1.5
55.05509	4.7
56.05032	1.9
57.03416	1.1
57.07045	0.8
59.05007	1.0
60.50793	0.8
65.03936	0.9
67.05510	7.8
69.03430	6.4
69.07059	3.2
70.95391	1.5
71.01355	1.1
71.04997	14.6
79.05505	8.4
81.06635	0.9
81.07065	8.8
83.04984	4.8
83.08624	1.0
85.02900	2.2
85.06542	1.1
87.04462	1.0
91.05479	9.2
93.07049	17.1
94.03300	0.8
95.04977	4.2
95.08608	6.2
97.02885	2.0
97.06525	3.4
97.10161	1.1
98.97581	3.6
99.04446	2.2
99.08121	0.8
103.05470	1.3
105.03413	1.2
105.07034	17.7
106.07803	0.8
107.04928	1.9
107.08603	11.7
109.06522	5.4
109.10163	17.4
111.04463	0.9
111.08075	2.7
113.02309	0.9
116.98597	1.0
117.06973	1.1
119.04938	2.2
119.08591	14.5
121.06515	3.3
121.10147	39.0
123.04448	1.4
123.08071	5.5
123.11702	2.3
124.31345	0.7
128.00800	6.1
129.07031	0.9
131.08571	3.3
133.06488	0.9
133.07625	0.8
133.10133	5.8
135.08054	2.4
135.11662	3.1
137.06003	1.3
137.09627	24.1
137.13242	1.0
139.03844	0.9
139.11203	1.3
143.08582	1.9
145.10118	3.4
147.04391	1.1
147.08043	5.1
147.11694	9.7
149.09624	100.0
150.09982	0.9
151.07588	1.7
151.11197	2.6
156.09338	3.2
158.99669	1.6
159.08046	2.1
160.08791	0.9
161.09630	2.2
161.13240	9.0
163.11211	1.7
165.09045	1.1
165.12805	5.5
169.10120	1.5
171.11719	6.2
174.10434	4.7
177.00671	1.2
179.14294	0.9
179.74899	0.9
180.04143	1.5
183.11697	1.5
189.12749	21.0
191.14383	1.4
195.11768	1.2
195.26385	0.8
207.06459	0.8
207.13795	10.9
225.07347	3.7
225.14531	4.2
225.16478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	9.8
55.01871	10.4
55.05519	23.3
57.03419	8.4
57.07071	8.1
59.05000	5.0
61.02923	21.2
65.03939	5.7
67.05505	44.7
68.99802	5.9
69.03427	100.0
69.07065	55.1
70.53792	3.5
70.85485	4.8
70.85820	9.0
71.01365	7.0
71.04993	32.8
79.05487	35.3
81.03424	8.1
81.07054	67.5
83.04967	23.3
83.08616	12.5
85.02904	5.8
85.06543	9.5
87.04469	5.3
91.05489	40.4
93.07043	51.4
95.04948	31.9
95.08604	47.6
97.02879	10.6
97.06563	21.6
99.04462	9.3
103.05485	6.1
105.03387	15.7
105.07027	70.8
107.04946	15.6
107.08595	49.4
109.06512	54.2
109.10146	21.5
111.08101	20.7
115.07565	14.7
117.06994	7.1
119.04970	9.2
119.08577	59.3
121.06518	17.6
121.10139	56.3
122.07248	6.8
123.04406	21.4
123.08077	31.9
123.11705	14.7
125.06024	10.8
125.09666	6.6
129.06972	4.0
130.40088	3.7
131.08549	6.8
133.06522	15.9
133.10130	69.9
135.08060	13.7
135.11688	13.6
137.05980	18.5
137.09621	67.2
139.03900	9.5
139.11208	15.4
141.07045	5.2
143.08540	5.1
145.10075	11.8
147.04404	13.4
147.08040	14.1
147.11685	61.1
149.09607	43.1
151.07593	19.9
151.11205	33.8
153.05548	6.0
156.09329	11.0
159.08066	8.7
159.11720	10.0
159.40878	3.6
161.09610	10.6
161.13245	36.9
163.03926	5.0
163.11172	21.3
165.01852	3.9
165.05415	6.8
165.12804	18.0
166.15941	5.5
167.07042	21.9
171.11697	16.1
174.10408	23.2
175.03967	5.8
177.12810	7.0
179.07062	11.1
179.14383	5.9
180.04105	6.8
181.12238	10.9
189.12737	47.7
192.04376	4.0
193.04921	5.5
193.08578	4.1
195.06458	3.9
207.06418	9.9
207.10217	4.2
207.13809	49.9
207.69254	4.2
225.07484	7.6
225.11159	6.4
225.14772	39.5
225.19832	5.0
226.18040	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03932	4.4
55.01863	4.3
55.05510	21.1
56.96548	5.4
57.03428	5.2
57.07055	5.2
57.99987	2.3
59.04972	6.0
61.02636	2.6
61.02928	49.0
67.05500	17.1
68.43970	2.1
69.03433	22.0
69.07066	22.1
71.04996	19.0
71.61429	3.1
73.02921	3.3
79.05483	16.1
81.03410	10.1
81.07056	31.6
83.04980	15.6
83.08600	8.5
85.02878	8.1
85.06557	5.1
87.04442	6.1
91.05479	28.5
93.07053	22.9
95.04967	25.9
95.08611	33.6
97.02878	8.7
97.06529	12.5
97.10169	3.0
98.97571	8.1
99.04458	18.5
101.00835	3.0
105.03355	6.3
105.04532	2.7
105.07033	45.5
105.07732	2.8
107.04949	8.6
107.07953	2.6
107.08601	31.5
109.06516	34.1
109.09550	2.2
109.10162	21.1
111.04450	3.1
111.08089	4.9
113.09585	2.6
115.07574	10.4
117.06986	2.6
119.04913	7.4
119.08582	46.4
121.06509	7.9
121.10134	27.5
123.04430	2.6
123.08077	32.1
123.11726	11.8
125.05962	9.1
127.07569	3.8
131.01913	3.0
131.08562	7.8
133.06465	9.8
133.07401	2.3
133.10127	23.6
135.08022	6.5
135.11722	10.7
137.05960	5.3
137.09605	31.9
137.13190	3.3
139.03917	3.7
139.11156	6.1
143.01892	7.1
143.08546	4.5
145.10123	6.9
147.04396	6.1
147.08052	8.4
147.10622	4.0
147.11679	42.4
149.09610	32.2
151.07547	18.1
151.11183	18.7
153.05521	2.2
156.09337	8.1
159.11682	4.1
161.02945	6.7
161.09558	8.0
161.13258	36.5
163.11154	12.8
165.05423	5.7
165.09125	16.9
165.12750	40.9
167.07037	6.3
167.10654	8.1
168.08115	7.2
169.08649	3.6
171.11763	10.1
174.10376	7.9
175.03899	6.9
177.12720	7.6
179.10640	3.2
179.14337	3.4
180.04175	4.1
181.12210	9.0
189.12750	39.3
192.20613	2.4
193.04948	5.2
203.02115	2.5
207.06447	4.8
207.10161	2.1
207.13817	38.3
225.07402	4.9
225.09251	5.1
225.11169	4.5
225.14825	100.0
245.12289	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	Sparanone B
Peak:m/z	Relative Intensity
51.25682	1.6
53.03942	4.5
55.01878	7.5
55.05292	2.1
55.05510	23.7
57.03437	17.0
57.07043	2.2
59.05004	2.1
59.77718	1.7
63.61427	1.8
65.03934	3.4
67.05507	21.2
68.99788	2.1
69.03432	100.0
69.07065	5.6
71.01351	5.4
71.04980	9.8
71.61045	2.0
77.07944	1.7
78.47646	1.5
79.05499	12.4
81.03421	10.4
81.07063	15.3
83.04984	97.6
83.08643	3.3
85.02908	32.3
85.06526	7.0
91.05476	11.7
93.07040	10.1
94.69107	1.5
95.01332	7.6
95.04966	23.0
95.08604	14.2
95.37365	1.5
97.02896	28.4
97.06533	5.7
99.04434	4.7
101.02365	2.7
103.05419	1.7
104.11730	1.5
105.03395	3.8
105.07056	9.5
107.04947	9.0
107.08609	9.4
107.37303	1.5
109.02898	2.9
109.06519	6.5
109.10155	6.2
111.04445	33.4
112.05257	2.6
113.02373	28.2
113.05997	10.5
118.94360	1.6
119.04930	6.1
119.08582	14.6
121.02812	1.7
121.06472	2.9
121.10147	15.3
123.04417	9.4
123.08076	5.3
123.11687	4.8
125.05959	1.9
125.09612	2.0
127.03947	1.9
131.08588	2.1
133.06485	4.5
133.10162	3.5
135.04436	4.8
137.05972	10.5
137.09633	2.0
139.03903	19.0
139.11148	1.8
143.03413	1.7
143.08640	2.0
147.04408	4.3
147.11719	3.5
148.05173	3.0
149.13181	2.6
151.03966	3.3
151.07545	3.9
151.11148	2.7
153.05453	2.0
155.08505	4.0
157.04974	14.4
157.10217	1.7
161.13254	9.1
163.03915	4.9
165.01910	2.3
165.05554	4.8
165.09158	2.2
165.12650	3.0
167.03304	1.6
167.07036	6.2
169.10088	5.1
175.03929	2.3
179.07066	5.5
179.14319	8.0
180.04176	7.1
181.08667	9.7
183.06528	2.6
183.11658	5.5
189.12778	1.9
193.04958	2.1
195.06569	3.8
197.08061	2.9
197.15417	4.5
202.58464	1.8
207.06558	3.8
207.13797	5.5
207.17429	3.6
225.07559	36.5
225.12720	4.7
225.14784	9.5
225.16449	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41686	4.4
70.42085	3.6
79.05495	2.4
82.99841	3.4
86.72022	2.1
91.84953	2.0
95.04938	2.9
98.97623	2.4
101.00889	41.9
105.03378	4.4
116.98738	2.8
119.01921	100.0
120.02055	2.1
124.02476	3.0
137.02974	17.0
140.98804	2.9
142.03508	28.2
158.99913	11.6
160.04526	4.9
161.02960	13.2
177.00955	85.2
177.93451	2.2
178.00951	4.8
179.04025	15.4
183.86771	2.0
190.49490	4.1
199.50029	8.5
201.00874	6.5
201.02495	3.6
217.04071	10.4
219.02013	84.1
219.94496	3.9
220.02109	9.5
243.01988	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	225.0757
Annotation	Plumbagic acid
Peak:m/z	Relative Intensity
53.03939	4.3
55.01869	4.9
55.05510	19.7
57.03436	12.5
57.07069	4.0
60.98722	1.4
65.03938	5.0
67.05503	20.8
69.03429	100.0
69.07067	5.1
71.01347	5.3
71.04988	7.3
71.08646	1.2
71.61640	2.1
77.70852	1.1
79.05497	13.8
81.03410	7.6
81.07059	13.9
83.04980	97.8
83.08630	3.7
85.02905	29.6
85.06541	3.1
91.05468	10.3
93.07021	6.3
95.01348	7.2
95.04968	16.9
95.08608	12.2
97.02888	29.6
97.06538	5.4
97.10174	1.9
99.04461	7.6
105.03370	4.2
105.07036	10.2
107.04974	9.4
107.08602	5.5
109.02882	3.9
109.06551	6.2
109.07167	1.2
109.10152	3.5
111.04443	30.2
111.11765	1.4
112.05201	1.4
113.02367	26.5
113.05997	11.7
115.03930	1.9
117.07048	1.2
118.92488	1.2
119.04955	4.3
119.08585	5.7
121.02871	2.4
121.06514	3.6
121.10147	5.4
123.04444	5.6
123.08098	3.8
123.11709	4.0
125.02439	1.3
125.05978	2.5
125.09662	1.3
126.64576	1.1
127.03920	2.4
131.08566	2.4
133.06490	4.4
133.10086	3.1
135.03473	1.2
135.04358	5.8
136.37344	1.2
137.02348	1.3
137.05986	8.4
137.09796	1.6
137.13318	1.2
139.03914	19.8
139.11256	1.5
141.05470	2.5
141.06989	2.0
143.03439	1.8
143.08551	1.9
145.69949	1.4
146.13405	1.2
147.04427	4.5
147.11690	2.8
151.03938	2.7
151.07573	4.7
151.11076	1.8
153.05441	1.9
154.07764	1.7
155.08531	5.9
157.04945	15.1
157.10150	1.3
161.06007	2.4
161.09634	1.5
161.13216	3.3
163.03931	3.9
163.11269	1.5
165.01865	1.8
165.05479	4.1
165.09085	1.2
165.12749	3.1
167.07054	5.4
167.08527	1.6
167.10869	1.2
169.10143	5.2
175.03914	1.7
179.07072	3.6
179.14290	2.8
180.04112	6.2
181.10120	1.4
183.06548	2.5
183.11700	7.5
189.05409	1.6
189.12851	2.2
193.04909	3.3
195.06552	2.4
195.08159	1.5
195.44464	1.4
197.08057	1.8
197.13229	1.8
207.06531	4.1
207.13814	4.4
210.14072	1.3
222.37982	1.3
225.05513	3.1
225.07489	30.9
225.09395	1.7
225.12747	4.7
225.16522	16.5
225.22102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
51.67375	0.5
54.07928	0.6
54.57994	0.7
55.05492	0.7
56.96552	2.6
57.03421	0.5
58.06595	3.8
59.04997	1.3
68.05025	1.2
70.01278	2.9
71.05013	0.6
71.54673	0.6
73.02937	0.6
79.05502	6.4
81.07054	0.8
81.84198	0.6
82.06584	0.5
83.04977	1.2
85.02892	1.1
91.05481	9.4
93.07047	1.7
95.04968	0.8
97.02947	0.8
97.06521	0.8
98.97569	2.7
98.98508	0.6
103.05474	13.7
104.05048	0.6
104.06306	0.8
105.03378	0.6
105.07035	37.6
107.04955	5.3
115.05473	0.9
116.98605	1.1
117.05783	0.6
117.07023	1.1
118.06545	14.8
118.07340	1.2
119.07330	1.4
120.08112	22.5
128.06219	6.7
130.06532	3.1
131.04938	4.1
131.07330	3.8
131.08598	2.0
132.08063	2.9
140.06982	0.7
143.00182	0.7
143.08562	3.7
145.08867	0.8
149.05943	0.7
157.01747	0.6
158.09686	1.0
158.99646	0.8
160.11221	100.0
161.11484	0.7
175.03886	1.2
176.98383	0.6
178.12274	87.5
179.07072	0.7
179.12674	1.0
193.04985	0.5
195.08275	0.9
201.00787	0.7
203.07497	1.6
206.07889	0.7
206.11778	10.4
212.07944	1.5
218.99480	0.9
219.01657	1.0
224.09285	1.3
224.12825	29.5
226.04356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
51.52872	5.2
51.87970	4.6
55.01867	7.5
55.05511	48.2
56.96558	16.2
57.07074	39.7
59.04999	5.9
63.67347	4.6
67.05502	55.0
69.03427	26.2
69.07066	65.2
71.04984	14.4
71.08626	6.2
71.61778	7.4
71.62150	4.5
72.37882	4.4
79.05491	34.0
81.03428	7.0
81.07059	80.0
83.04990	8.8
83.08619	78.7
85.06541	24.6
91.05495	20.6
93.07042	60.8
95.04984	11.4
95.08613	83.7
97.02868	13.5
97.06520	17.4
97.10185	25.6
98.97583	11.7
99.08089	75.3
105.07026	11.8
107.04981	11.4
107.08591	56.3
109.06501	8.0
109.10162	82.7
111.04444	6.7
111.08073	11.2
116.98663	6.2
117.07011	7.4
119.08566	15.2
121.06543	6.4
121.10154	53.8
123.08076	4.9
123.11720	35.4
125.09637	54.3
131.08560	10.4
133.10175	5.7
135.04376	4.7
135.08043	7.2
135.11707	37.2
137.13304	4.8
139.07434	4.9
139.14822	8.7
145.10197	4.5
147.11607	6.0
149.02341	31.2
149.06021	7.2
149.13263	72.7
151.14844	4.3
154.47424	5.2
161.13205	6.2
163.03946	8.1
163.11182	7.2
163.14841	17.0
165.12569	4.4
165.16420	4.8
175.02959	5.0
177.00691	12.4
177.16389	7.6
181.10208	5.9
181.12070	5.6
187.14807	9.7
191.03458	8.5
194.94641	7.3
205.15869	16.0
205.19560	55.2
209.01004	5.0
223.06046	10.7
223.11319	10.0
223.13275	17.2
223.15027	8.6
223.16840	26.3
223.20552	100.0
225.04300	18.3
227.30045	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	(Z,Z)-farnesol
Peak:m/z	Relative Intensity
53.03934	3.3
54.25322	1.2
55.01854	3.0
55.05511	58.2
56.96549	4.6
57.03433	6.8
57.07077	23.7
57.34831	1.2
59.04986	2.4
60.95839	1.3
65.03925	1.7
67.05505	47.9
69.03413	2.0
69.07067	100.0
71.04990	7.9
71.08638	6.4
71.61851	1.3
79.05490	25.5
81.07056	64.1
83.04994	6.7
83.08618	57.4
85.06561	8.1
85.10192	2.9
91.05481	8.9
93.07040	40.0
95.04946	3.1
95.08606	56.3
97.06525	18.0
97.10164	29.3
99.08099	6.4
105.07027	4.4
107.04922	2.9
107.08591	35.7
109.06584	2.6
109.10151	37.2
111.08085	11.4
111.11702	8.4
113.09622	3.7
119.08545	3.4
121.06506	2.8
121.09297	2.3
121.10149	38.5
123.08054	1.5
123.11705	22.6
125.09637	6.5
125.13253	3.0
127.11201	2.4
131.08551	2.0
133.10127	3.0
135.08049	3.8
135.11697	41.4
136.28752	1.3
137.09566	1.8
137.13293	6.9
139.07475	1.6
139.11176	6.1
139.14790	1.6
145.10132	3.1
147.11688	2.1
149.02330	9.0
149.09573	2.7
149.13260	26.7
153.12740	3.1
158.99649	1.7
159.11681	1.9
161.13313	1.6
163.04057	1.5
163.11224	3.0
163.14841	8.4
165.12871	1.5
165.16415	1.6
167.10869	1.2
167.14294	3.5
177.00693	3.1
177.12738	2.2
177.16417	6.4
187.14972	1.7
193.10210	1.9
195.11565	1.5
205.15965	2.7
205.19511	58.3
206.14175	2.4
208.12473	1.7
223.06042	3.9
223.11214	2.1
223.13033	2.7
223.14713	6.1
223.17070	9.3
223.20564	61.7
224.20831	1.4
225.04260	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03944	3.6
55.05513	23.4
56.96547	14.4
57.07067	20.9
65.03938	4.7
67.05500	38.7
69.03404	4.6
69.07065	47.1
69.39216	15.5
69.39645	14.4
71.04974	11.5
71.08610	5.4
79.05489	30.8
79.38957	4.4
81.03395	5.2
81.07053	73.6
83.04993	7.5
83.08624	24.3
85.02914	4.2
85.06529	15.1
91.05457	18.0
93.07051	48.3
95.04961	14.0
95.08039	5.9
95.08607	85.1
97.02900	13.3
97.06529	9.1
97.10172	7.9
99.04442	4.5
99.08109	9.5
99.70910	4.6
105.07015	19.9
107.04937	5.0
107.07944	6.4
107.08599	69.6
109.06518	5.2
109.09470	3.7
109.10168	55.9
111.08080	7.0
117.07011	4.2
119.08578	11.9
121.06483	8.1
121.09297	6.8
121.10138	93.0
121.29790	5.0
123.08013	7.3
123.11710	18.4
125.09655	10.1
131.08569	7.3
133.10129	5.1
135.04396	9.2
135.08089	5.9
135.11697	23.9
137.05994	4.2
137.09581	7.6
137.13252	22.3
139.07561	4.4
139.11250	5.1
143.89262	3.9
145.10106	14.9
149.02307	30.4
149.09639	8.2
149.13268	22.5
159.11694	4.0
163.11179	7.5
163.14850	11.0
165.06947	4.5
165.09056	4.8
165.12740	8.7
167.07129	4.9
167.08554	7.1
167.10771	4.9
177.00699	13.1
177.12804	5.6
177.16391	100.0
181.10220	4.5
187.14751	9.7
193.10025	5.3
194.94653	4.6
195.17458	5.8
200.08852	5.6
205.12212	4.6
205.15805	23.5
205.19585	10.2
206.42186	3.8
209.04549	4.5
223.05875	5.5
223.11375	5.8
223.13240	16.2
223.14928	11.5
223.16830	52.9
223.20517	13.3
225.04257	18.0
227.02168	5.7
236.18237	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	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05505	2.3
57.07051	1.0
59.04985	0.5
60.95787	0.4
67.05511	2.2
69.03418	1.0
69.07066	4.6
70.19175	1.5
71.04977	0.5
76.30936	0.4
79.05489	3.7
81.07069	4.4
83.04966	0.6
83.08613	2.3
83.44001	0.4
85.06535	1.3
91.05443	2.7
93.06459	0.8
93.07040	13.4
95.04967	0.7
95.08042	0.5
95.08613	5.8
97.06535	0.7
97.10174	0.8
99.08094	5.7
105.07030	4.2
107.08591	15.4
109.06481	0.7
109.10161	2.8
111.08051	1.4
117.06985	0.5
119.08578	11.9
121.06522	0.5
121.10143	26.9
123.08032	0.7
123.11719	0.9
125.09632	0.7
131.08559	1.3
133.07616	0.5
133.10141	5.6
135.08060	1.0
135.11690	8.4
137.09633	0.8
139.07523	0.4
143.08559	0.4
145.10132	6.3
147.11673	4.0
149.02325	2.0
149.09599	2.8
149.13216	2.0
153.12730	0.5
159.11707	2.1
161.13240	2.2
163.11186	8.9
163.14816	4.1
172.12508	0.4
177.12787	2.2
177.16400	7.8
187.14833	10.7
205.15862	10.1
223.16920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06803	1.0
73.25373	0.3
87.70243	0.3
91.04039	0.3
91.77962	0.3
101.00888	0.7
114.32426	0.3
119.01938	1.7
120.95376	1.5
138.96410	15.4
156.97479	100.0
157.97554	1.1
158.97951	0.5
174.98540	59.1
175.98587	0.6
179.99066	2.9
180.97513	1.3
181.57573	0.4
188.98328	0.4
198.00081	1.6
198.98535	30.6
199.98691	0.3
216.99594	49.6
217.99750	0.8
222.00191	0.8
240.01241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.01599	1.2
50.79715	1.1
53.03944	2.0
55.01859	3.2
55.05507	8.6
56.96560	1.1
57.07063	3.1
59.04996	2.6
65.03925	3.2
67.05208	1.3
67.05507	12.6
67.08812	1.1
69.03083	1.2
69.03431	18.7
69.07066	5.3
71.61926	1.1
77.03913	1.4
79.05496	10.4
81.03400	3.2
81.07058	21.3
83.04981	8.2
83.08611	3.3
85.02888	4.3
85.06537	2.5
86.32629	1.2
87.04468	29.7
91.05481	18.1
93.07042	23.3
94.04192	1.2
95.04967	9.3
95.08623	11.2
97.02877	3.0
97.06531	3.5
98.97602	1.8
98.98431	1.3
101.02390	2.7
102.47990	1.2
103.05441	1.9
105.07036	8.9
107.04964	3.3
107.08583	11.8
109.06515	50.5
109.10152	14.0
110.07276	3.2
111.04426	2.5
111.08093	3.1
115.05376	1.3
117.07018	5.6
119.06063	3.4
119.08575	12.0
121.06502	51.7
121.10136	11.9
122.07276	10.5
123.08082	4.2
123.11703	4.7
125.05961	3.8
125.09653	1.3
129.06963	1.1
131.08559	3.2
133.10106	2.4
135.08018	5.7
135.11719	5.7
137.09615	100.0
139.03908	1.8
139.07574	3.0
139.11147	1.8
144.09373	1.1
145.06436	1.7
145.10139	5.5
147.08038	3.0
147.11731	1.6
149.02333	2.5
149.06006	8.3
149.09608	7.8
149.13239	2.5
159.11687	7.5
163.03767	1.4
163.07524	4.1
163.11179	9.0
163.14886	1.2
164.07846	1.3
167.07030	1.5
175.11143	2.5
177.09195	1.6
177.12718	6.7
179.09714	1.7
181.04971	1.2
181.12256	2.2
187.11166	3.6
187.14848	1.3
198.71541	1.3
205.12209	7.8
205.15796	2.2
223.09579	2.2
223.11429	3.0
223.13316	16.7
223.16882	4.0
223.20595	2.9
225.04294	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	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.91305	0.4
56.96569	3.7
57.03428	2.1
61.02927	3.4
67.05504	0.9
69.03426	3.2
70.24605	0.5
71.05011	0.5
71.28887	0.5
71.39796	1.0
73.02933	2.7
81.03407	1.5
85.02898	5.2
95.04961	0.9
97.02908	3.7
98.97568	3.9
99.04472	0.7
101.00851	2.5
107.04958	0.7
109.02863	1.8
110.01280	0.9
110.03683	1.0
110.97552	1.3
111.22345	0.5
113.00870	0.5
115.02435	0.9
115.03963	0.6
116.98624	1.4
119.01882	4.9
120.02100	0.7
120.95373	1.3
121.06513	1.7
123.04444	0.6
127.03918	1.6
128.02281	1.6
128.98642	1.4
131.01860	1.9
131.02762	0.7
135.04300	0.8
136.06166	3.3
137.02899	0.9
138.96397	10.8
141.03122	1.0
141.83633	0.5
143.00133	0.5
143.01898	1.5
145.03448	1.5
146.02356	0.6
146.99657	0.9
156.97484	100.0
157.04341	1.0
157.97577	0.8
158.99728	0.5
161.02919	1.1
162.03133	0.7
164.66721	0.6
166.04796	0.8
171.01244	0.7
171.05070	0.8
174.03595	0.7
174.98546	83.4
175.98682	1.3
179.99091	4.3
180.97397	2.5
185.02898	0.8
194.99086	1.4
198.00124	2.1
198.98549	34.5
199.04533	1.2
199.08252	0.6
213.00099	0.6
215.01733	0.7
216.99606	57.6
217.99748	0.7
218.23009	0.6
222.00119	1.2
222.05414	0.6
222.07689	1.3
222.09631	0.9
222.98395	0.7
240.01213	1.2
240.99628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	1.7
55.05505	15.4
57.03445	2.4
57.07071	4.3
59.05008	2.3
66.15417	1.6
67.05506	11.9
69.07074	14.5
70.80327	3.9
71.04993	23.9
73.06531	2.6
79.05498	19.7
81.07059	69.6
83.04975	2.3
83.08606	6.5
85.06528	2.5
91.05475	16.6
93.07049	48.0
95.04951	4.7
95.08043	2.5
95.08611	33.4
97.06538	4.1
97.10164	1.8
99.08101	2.9
102.40572	1.6
105.06385	2.5
105.07041	34.5
107.08596	68.6
109.06538	4.0
109.10166	24.1
111.08054	5.5
111.11677	2.6
113.09621	2.0
117.06970	3.2
119.08588	50.1
121.10157	12.3
123.08054	3.3
123.11714	14.8
125.09615	2.5
127.11184	7.4
129.98216	1.5
133.10138	28.7
135.08084	2.2
135.11699	100.0
137.13252	2.7
142.14287	1.6
143.08595	1.6
145.10130	2.7
147.11684	25.9
149.02335	4.5
149.13272	9.1
151.11203	2.5
158.20914	1.7
161.05951	3.1
161.13251	14.9
163.14766	6.0
165.12712	3.2
175.14815	7.2
177.09065	7.4
193.08633	2.5
203.17964	38.0
208.55081	1.8
221.04468	4.9
221.08113	3.7
221.15361	7.3
221.19029	54.1
221.21489	3.5
221.21959	3.2
231.75812	1.8
232.68301	1.7
238.21201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81252	0.5
55.01874	1.3
56.78297	0.6
56.96315	0.7
56.96566	5.5
57.03443	5.7
61.02924	7.7
68.05028	2.6
69.03430	5.2
69.07072	0.5
70.06586	0.8
70.98138	0.6
71.04992	1.3
71.42941	0.6
71.59773	0.8
73.02910	5.9
74.06088	1.6
80.05028	0.9
81.03412	3.4
82.06574	0.6
83.04987	1.4
84.04501	4.6
84.96030	0.7
85.02908	9.1
86.09723	2.9
87.04480	0.9
91.03947	0.7
94.06576	1.2
95.00803	0.7
95.04964	0.6
95.06048	1.1
96.01545	0.9
96.04489	1.0
97.02898	6.0
98.06041	1.7
98.97578	8.0
99.04449	2.0
100.99139	0.8
101.00877	2.2
102.00960	0.7
104.01213	0.7
104.10730	0.7
109.02879	1.0
110.01276	1.4
110.97588	1.8
111.02071	0.6
114.05516	1.4
115.03951	1.9
116.01253	0.8
116.07021	0.7
116.98605	2.3
117.03726	0.7
119.00150	0.8
119.01868	8.1
120.95365	1.6
122.06001	1.3
124.16199	0.6
126.02513	0.7
126.05490	1.1
127.03901	2.2
128.02332	8.0
128.98616	2.3
130.04996	3.8
131.00240	0.7
131.01843	1.6
132.02528	0.7
135.03186	0.7
137.02849	1.5
138.05493	0.8
138.96408	10.7
140.02264	0.8
140.07060	2.6
140.55107	0.8
141.03078	7.0
141.05492	1.1
143.01869	1.1
144.06606	1.2
145.01572	0.9
145.03419	0.9
145.04997	0.6
146.02330	1.2
146.99635	1.5
150.03624	3.7
153.01312	0.8
155.01759	0.9
155.02895	1.0
156.97479	100.0
157.03456	1.7
157.97568	1.5
158.08133	2.3
158.99670	1.4
159.06465	3.0
161.01288	1.2
161.02910	1.6
161.99155	0.6
162.01808	2.1
162.03058	1.0
162.94545	0.9
169.02510	1.0
170.96143	0.7
170.99689	1.3
171.04977	0.9
173.01324	0.7
173.02928	2.0
174.03189	1.0
174.98540	85.1
175.98671	1.0
176.07388	3.2
176.09186	4.8
177.00693	1.0
177.02295	0.9
177.04010	0.8
178.09802	1.1
179.99066	4.8
180.97383	3.8
183.02310	1.1
185.02979	3.4
186.03101	0.6
186.05969	0.7
186.07643	1.8
189.00589	1.7
192.04208	0.9
198.00127	2.1
198.98535	55.1
199.04495	1.2
199.98648	0.9
201.00690	1.3
203.03990	1.0
204.08656	4.2
208.04514	1.1
213.03293	1.2
213.05179	1.8
216.99590	57.5
217.99762	1.2
219.01785	1.5
222.00098	1.7
222.01993	8.3
222.05568	1.3
222.07863	3.9
222.09708	10.6
230.98544	0.7
237.02821	1.7
240.01199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.1
55.01868	3.1
55.05509	26.8
56.49781	1.9
56.96561	9.5
57.07078	9.7
59.04974	1.7
65.03940	1.9
67.05175	2.3
67.05508	37.8
69.03415	2.4
69.06709	2.5
69.07068	37.3
71.04977	8.2
71.62091	2.2
71.71645	1.9
79.05492	19.8
81.07057	71.0
83.04967	6.7
83.08616	16.2
85.06535	6.0
87.40789	1.8
89.72125	1.6
91.05473	28.6
93.07044	45.8
95.04955	5.7
95.08607	84.6
97.06530	11.4
97.10175	10.0
98.97556	2.8
105.03382	3.3
105.07030	79.8
106.97949	1.6
107.08594	60.9
109.06503	7.6
109.10155	65.0
111.08075	10.3
111.11723	5.4
113.09712	2.2
115.05431	2.3
117.07009	5.3
119.08582	93.2
121.06480	3.2
121.09297	3.3
121.10142	46.2
123.04443	1.9
123.08052	5.4
123.11707	27.0
125.09632	6.1
131.04955	2.2
131.08595	4.3
133.02832	4.5
133.06490	4.7
133.10133	74.6
135.04417	2.0
135.08047	3.6
135.11700	22.2
137.09583	9.7
137.13235	6.0
143.08545	2.8
145.10106	7.7
147.04359	3.6
147.11687	81.5
149.13229	11.0
151.07524	2.5
151.11203	11.5
157.10156	3.1
159.11676	4.6
160.12434	3.1
161.02342	2.7
161.06015	3.0
161.09625	4.2
161.13257	38.2
162.06891	1.9
163.03886	2.0
163.11188	1.7
163.14847	16.3
165.05516	2.3
165.09122	4.8
165.12750	12.2
173.13281	2.5
175.02762	3.9
175.07623	4.8
175.11147	3.1
175.14810	21.4
177.05348	2.3
177.09058	3.4
177.16373	7.8
179.03412	5.0
179.14374	2.6
185.13269	5.4
189.01814	2.3
189.05453	3.5
190.06328	1.8
191.17909	3.1
193.08580	7.6
203.14362	4.9
203.17952	100.0
206.10944	2.1
206.16216	3.7
207.02939	4.0
221.04417	24.0
221.05968	1.7
221.07874	10.2
221.11734	5.6
221.13437	2.5
221.15619	15.4
221.19009	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.69097	1.4
55.05508	13.4
56.96558	4.2
57.07060	5.6
58.38981	1.6
67.05504	26.4
69.07072	20.5
70.02340	1.4
70.95911	3.6
71.04978	3.8
79.05481	11.3
81.06573	2.7
81.07056	54.9
83.04961	3.7
83.08604	8.3
84.61781	1.6
85.06528	2.2
91.05477	19.8
93.07043	28.9
95.04929	2.2
95.08608	61.3
97.06526	14.9
97.10152	3.7
105.07031	50.5
107.08596	39.5
109.06523	2.9
109.09444	2.8
109.10159	45.8
111.08118	3.1
111.11720	2.3
117.06996	2.2
119.08582	56.1
121.06509	1.5
121.10145	30.1
123.08043	2.7
123.11702	19.5
125.09619	3.6
131.08563	2.8
133.10132	68.8
135.11674	11.2
137.09575	2.4
137.13222	3.4
139.11116	2.3
145.10097	4.2
147.11693	53.9
149.13214	5.0
151.11168	5.5
159.11644	2.5
161.13264	22.8
163.03835	1.8
163.14836	11.5
175.14832	30.4
177.16344	2.4
185.11914	1.8
185.15839	1.4
203.17950	100.0
221.04466	6.2
221.08066	2.3
221.11687	1.8
221.15395	5.1
221.19003	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	221.19
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
54.37289	2.0
55.05521	11.6
55.74932	2.3
57.02161	2.7
57.07056	2.4
57.50636	2.3
67.05505	14.4
67.14053	2.4
67.58171	2.7
69.07072	27.2
71.04996	33.7
71.34765	2.3
71.35086	4.5
78.96387	2.3
79.05501	21.6
81.07059	99.9
83.08615	4.4
85.06532	8.1
91.05486	18.1
93.07050	46.0
94.07381	2.4
95.08611	43.5
97.06532	4.8
97.10172	3.4
99.08083	4.3
102.80701	2.6
105.07030	41.8
107.07877	3.1
107.08597	62.9
109.06567	4.0
109.10151	36.2
111.08040	2.7
111.11706	10.0
113.09673	3.4
117.07011	3.2
119.07782	4.7
119.08585	74.8
121.10165	17.2
123.11715	23.7
127.11211	5.9
133.10175	23.4
135.11703	96.5
137.09586	3.9
137.13243	2.9
147.11696	29.9
148.26843	2.6
149.13281	16.6
161.13312	14.2
163.14763	5.5
165.12788	3.5
175.14888	4.9
177.16380	4.9
185.13278	2.7
193.08649	5.4
203.17960	58.7
206.10886	3.3
221.04520	5.5
221.08032	4.9
221.13382	4.0
221.15468	5.2
221.19012	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.55664	0.7
53.03939	2.1
55.01854	1.0
55.05512	12.3
56.96566	1.4
57.07080	5.4
59.04995	1.9
65.03936	2.2
66.30540	0.8
67.05164	1.0
67.05508	16.1
69.03429	1.7
69.07074	16.1
71.04998	13.9
71.61308	0.8
77.03942	0.8
79.05499	16.9
81.07059	51.7
83.04980	2.7
83.08620	8.9
85.06517	2.3
91.05470	14.4
93.07046	39.9
95.04984	4.4
95.08608	40.7
97.06532	3.6
97.10171	2.3
98.04623	0.9
98.28275	0.9
99.08100	4.5
103.05410	1.6
105.03345	1.1
105.04511	0.7
105.07036	30.8
107.04942	1.5
107.08598	63.4
109.02898	1.1
109.06509	3.7
109.10160	29.3
111.04446	5.1
111.08078	6.5
111.11710	1.1
113.09595	1.2
115.05407	1.2
117.07011	3.7
119.08582	45.5
121.06506	1.9
121.10146	17.5
123.04398	1.7
123.08067	3.3
123.11713	20.2
125.09615	1.9
127.11196	3.0
129.06987	1.1
131.04970	1.0
131.08553	1.9
132.05673	0.8
133.06479	3.4
133.10136	36.3
135.04407	1.2
135.08012	1.6
135.11702	100.0
136.11995	0.9
137.05966	1.3
137.09644	5.9
137.13278	4.6
139.11110	1.3
142.07661	0.8
145.10118	4.7
147.08044	2.8
147.11694	27.3
149.13284	10.3
151.03865	0.9
151.07526	2.6
151.11176	7.4
159.11661	3.0
161.05963	3.8
161.09636	1.2
161.13274	19.1
163.03883	1.5
163.07562	1.4
163.14807	7.6
165.09129	2.1
165.12773	3.2
173.13312	1.2
175.07526	2.3
175.11261	1.8
175.14838	30.7
177.09151	1.2
177.16386	5.9
179.07016	2.6
179.14250	1.0
185.11861	1.3
185.13351	1.7
189.05467	1.0
190.06229	2.5
191.11949	1.1
193.08632	4.0
193.15924	1.7
198.69832	0.8
201.36992	0.8
203.07100	1.3
203.10695	1.0
203.14240	2.8
203.17970	45.4
206.05762	2.3
221.04480	5.0
221.08092	8.0
221.11609	1.8
221.15678	9.6
221.19014	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.9
55.05509	12.1
57.07063	5.1
59.04992	2.3
61.99838	1.3
62.74813	1.6
65.03946	1.9
67.05505	17.3
69.03444	1.6
69.07066	14.7
69.44689	13.6
69.95303	1.7
71.04997	19.0
79.05494	23.3
81.07057	73.3
83.05000	2.8
83.08612	6.9
85.06541	1.7
87.98761	1.4
90.12958	1.8
91.05486	14.9
93.07043	48.1
95.04952	1.5
95.08608	38.9
97.06521	5.3
97.10187	4.3
99.08087	4.3
105.07034	35.0
107.08591	60.5
109.06524	4.2
109.10162	31.3
111.08069	4.5
111.11668	1.6
113.09621	3.7
117.06984	3.2
119.07776	3.0
119.08585	44.8
121.10148	14.1
121.66597	1.5
123.08064	9.4
123.11707	19.7
125.09637	3.6
127.11175	4.9
131.08556	1.7
132.13565	1.8
133.06508	3.0
133.10136	22.2
135.11693	100.0
137.09612	4.9
137.13263	4.7
139.11209	2.1
147.11693	24.2
149.13239	10.5
151.11180	3.3
161.06023	2.4
161.13266	12.8
163.14841	5.7
165.12741	2.7
175.14801	8.6
177.09079	1.7
177.16379	5.0
185.13277	2.9
190.06224	1.7
193.08624	3.2
203.10718	1.8
203.14288	5.4
203.17967	46.1
216.18277	1.8
221.04488	2.3
221.08134	4.8
221.15628	10.2
221.19017	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	2.9
55.05295	1.1
55.05518	13.5
56.96553	4.2
57.07063	4.4
59.05000	1.2
61.52652	1.0
67.05503	12.8
69.03407	1.1
69.07070	99.8
70.11164	1.1
70.92701	1.1
70.93022	2.3
71.04992	1.8
71.08627	1.1
76.20691	1.0
79.05495	15.3
81.03397	1.1
81.07059	69.2
82.01414	1.0
83.04949	1.9
83.08617	4.1
85.06532	1.4
91.05492	9.7
93.07049	30.8
95.04950	3.0
95.08607	25.9
97.06544	1.8
97.10217	2.3
98.97589	2.0
100.52476	0.9
105.07034	19.4
107.08598	19.3
109.06528	2.7
109.10161	27.6
111.08099	9.2
111.11725	100.0
119.08579	17.1
121.06387	1.2
121.10152	16.0
123.08056	2.1
123.11721	9.9
124.04577	1.1
125.09623	1.8
127.11205	2.8
133.02824	1.1
133.06465	1.0
133.10139	16.4
135.11685	6.0
137.13316	1.5
139.11226	6.0
145.10091	2.0
147.11702	18.5
149.13243	3.0
151.07500	1.5
151.11171	2.2
160.55524	1.2
161.02271	1.1
161.09648	2.5
161.13240	9.6
163.11142	1.0
163.14816	4.7
165.12735	1.2
174.99121	1.4
175.02739	1.4
175.14877	8.0
177.16403	2.8
179.03442	2.1
179.14285	1.1
191.08650	1.1
201.12012	1.2
203.14325	2.2
203.17973	25.3
206.10864	1.4
207.02995	1.3
221.04398	8.4
221.08076	1.2
221.11725	2.6
221.15700	6.5
221.19012	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05509	13.8
56.96568	24.8
57.07072	5.6
65.03948	2.8
65.15558	2.2
67.05503	26.9
69.07072	25.6
70.91341	3.3
70.91658	3.8
71.04991	3.5
71.08601	2.3
71.95264	2.8
79.05495	16.4
81.07058	47.8
83.05002	2.7
83.08617	12.6
91.05486	18.1
93.07048	40.3
95.04961	5.1
95.08036	3.9
95.08606	55.4
97.06522	6.1
97.10205	4.1
98.97568	5.9
99.08119	2.3
105.03383	5.6
105.07018	37.0
107.08595	70.5
109.06538	3.8
109.10161	33.3
111.08083	46.2
116.98642	4.1
117.07077	3.6
119.07772	4.1
119.08578	48.3
121.06490	2.5
121.10149	49.8
123.08028	2.9
123.11683	16.1
133.02863	3.8
133.10124	37.1
135.08092	3.5
135.11678	17.9
137.06067	2.6
137.09612	7.8
145.10147	6.7
147.08078	4.0
147.11693	28.5
149.13257	5.3
151.11206	6.6
157.01738	4.4
158.80310	2.6
159.11681	3.2
161.02428	3.5
161.09563	2.8
161.13232	25.5
161.38559	2.3
163.14818	100.0
165.09103	2.5
165.12773	3.9
174.93913	3.5
175.02779	30.9
175.14832	22.7
177.16449	3.2
179.03462	4.6
185.13242	3.2
189.01802	3.5
192.94826	2.9
193.03825	12.7
198.04384	7.2
203.14311	3.3
203.17973	39.8
206.10997	3.2
206.16202	3.8
207.02975	2.5
221.04445	29.7
221.13332	4.7
221.15372	18.7
221.18997	72.4
230.39166	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	2.3
55.05513	14.5
56.96567	22.5
57.07066	3.9
59.05017	1.4
67.05507	12.7
69.03418	1.6
69.06763	1.7
69.07071	19.0
70.95866	2.9
70.96196	1.4
71.04996	13.2
71.08601	1.5
77.03857	1.4
79.05500	15.3
80.13173	1.2
81.07055	66.9
82.07411	1.4
83.04971	2.2
83.08627	5.4
85.06533	4.4
90.93558	1.4
91.05475	13.6
93.07049	42.9
95.04914	2.1
95.08036	2.5
95.08608	35.5
97.06496	2.1
97.10168	2.1
98.97572	5.2
99.08105	3.9
105.06368	2.4
105.07031	28.9
107.08592	67.5
109.06505	4.3
109.10161	24.6
111.08080	3.9
115.05461	1.7
116.98622	1.8
117.07013	3.2
119.07777	3.1
119.08578	36.8
121.10138	11.6
123.08086	3.3
123.11703	15.4
125.09612	2.0
127.11200	5.7
133.06483	2.3
133.10129	28.6
135.11691	100.0
137.09628	5.1
137.13254	5.2
145.10089	1.4
147.04494	1.3
147.11679	22.1
149.13300	7.1
151.11168	4.3
154.08327	1.8
159.11674	1.5
161.05998	2.8
161.13260	18.2
163.14813	7.2
164.10309	2.4
164.13031	1.4
165.12785	2.7
173.10875	8.4
175.14850	6.7
177.09125	5.1
177.16394	1.8
179.03278	1.4
182.11417	29.7
182.51146	1.3
182.61578	6.4
191.11955	5.9
193.08591	2.1
202.62700	2.1
203.17961	39.7
209.08481	1.5
221.04503	5.4
221.08112	4.8
221.11684	3.1
221.15388	5.8
221.19019	54.7
229.25102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03941	3.7
55.01862	3.8
55.05511	21.7
56.96569	3.7
57.03429	2.2
57.07076	9.3
59.04982	3.2
65.03948	2.7
67.05504	30.4
69.03426	18.7
69.07064	29.1
69.40714	10.5
71.04983	5.8
77.03906	2.0
78.81364	1.3
79.05491	22.6
81.07056	63.8
83.04979	30.1
83.08631	14.1
85.06528	6.5
90.55785	1.2
90.89330	1.6
91.05475	34.7
93.07044	39.9
95.04951	8.7
95.08607	60.5
95.86989	1.7
97.06528	14.8
97.10142	4.1
99.08069	2.3
105.03387	2.8
105.04604	1.3
105.07032	71.5
106.00685	1.7
106.07330	1.6
107.04964	3.6
107.08591	48.2
109.02850	1.7
109.06520	20.6
109.10155	46.1
111.04423	5.5
111.08080	12.7
111.11723	3.1
112.83533	1.4
115.05466	4.2
117.07014	4.5
119.04946	2.4
119.08580	94.4
121.06528	8.2
121.10137	43.0
123.08079	12.8
123.11700	20.4
125.09617	5.3
128.06186	1.6
129.07011	3.2
131.04948	2.1
131.08603	8.1
133.02902	2.9
133.06526	9.5
133.10130	100.0
135.04448	2.8
135.08087	6.7
135.11690	17.2
137.05936	1.9
137.09608	17.4
137.13255	7.1
139.11185	2.4
143.08582	5.1
145.06548	2.0
145.10124	10.8
146.07278	2.5
147.04425	3.0
147.08055	16.1
147.11682	37.3
149.09642	7.0
149.13234	9.1
151.07518	5.5
151.11185	55.5
153.09157	2.0
156.09329	1.6
157.10124	4.4
157.72902	1.4
159.08076	3.3
159.11763	7.6
160.05125	1.9
160.12424	2.1
161.02390	3.1
161.06023	6.9
161.09662	17.6
161.13254	58.4
162.06740	2.3
162.13544	1.9
163.03905	3.0
163.11176	6.5
163.14828	11.0
165.09111	65.7
165.12755	6.0
170.10913	6.1
172.52808	1.4
173.09604	2.5
173.13243	6.3
175.02705	3.1
175.07529	4.0
175.11208	13.6
175.14828	43.6
177.09109	1.4
177.12726	4.6
177.16393	4.3
178.06190	3.0
179.03453	2.0
179.07011	3.6
179.10741	2.2
179.14459	1.5
185.11792	2.4
185.13248	6.0
188.11993	3.3
189.05528	3.3
190.06258	6.2
190.13539	5.5
191.03406	2.0
191.14255	13.1
193.07053	1.5
193.08597	8.4
193.10080	1.5
193.15973	1.4
203.10725	1.5
203.14317	15.8
203.17943	42.2
206.05739	3.8
206.16235	2.7
221.04449	11.6
221.08040	13.6
221.11905	2.8
221.15375	87.4
221.18939	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	2.0
55.05509	14.7
57.07072	3.6
65.03934	2.0
67.05507	9.7
69.07068	15.2
69.46537	13.7
71.04993	36.7
73.06540	1.7
79.05485	19.6
81.07058	100.0
81.88208	1.7
83.08596	4.7
91.05468	11.2
93.07043	46.2
93.30900	2.3
95.08047	2.4
95.08611	38.4
97.06505	4.0
99.08084	5.1
105.07030	44.3
107.08596	61.5
109.06509	2.6
109.10154	32.6
111.08094	1.9
115.05427	3.3
117.06998	2.7
119.08586	72.1
121.10136	16.1
123.08022	2.2
123.11694	13.7
124.93587	1.5
127.11185	10.6
133.06523	2.1
133.10132	22.8
135.11696	86.9
137.09637	2.3
137.13179	1.9
147.11690	29.9
149.13266	12.9
151.03876	6.7
151.11174	2.2
153.05496	2.5
161.05957	4.5
161.13277	16.2
162.06718	2.3
163.14795	4.8
165.12698	3.8
175.07545	2.5
175.14812	4.7
177.09094	23.5
177.16324	3.5
191.06898	1.9
193.08653	2.3
202.60649	1.9
203.07048	2.4
203.17944	41.7
221.04417	2.6
221.07924	2.9
221.11789	2.1
221.15398	6.8
221.18985	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	2.7
55.05508	16.3
56.96552	4.3
57.03449	2.2
57.07065	7.6
65.03943	3.6
67.05503	17.4
69.03382	1.8
69.07063	19.4
69.43442	1.8
69.47926	11.2
69.48351	5.4
69.50993	2.1
71.04992	19.9
77.03905	2.3
79.05489	21.3
81.07057	69.3
83.04976	5.4
83.08611	8.1
85.06533	4.1
91.05486	18.8
93.07047	45.9
95.04961	4.0
95.08604	41.5
97.06535	5.5
97.10149	4.4
98.21495	3.6
99.08071	4.6
103.05444	2.8
104.06261	2.0
105.07034	43.2
107.04925	2.1
107.08593	65.9
109.06493	4.5
109.10155	37.4
111.08066	6.9
115.05443	5.7
117.07042	2.5
119.04939	2.6
119.08581	51.3
121.06464	4.4
121.10143	16.6
123.08104	2.5
123.11711	25.8
125.09625	3.0
127.11201	3.3
131.04916	7.5
131.08513	2.5
132.05693	4.1
133.02832	4.3
133.06479	10.0
133.10126	34.0
135.04413	2.8
135.11694	100.0
137.05940	3.9
137.09579	6.2
137.13223	4.8
145.10114	4.2
146.65210	2.1
147.04395	3.0
147.08131	3.1
147.11684	31.1
149.13271	9.1
151.03920	21.1
151.11215	4.6
153.05504	3.1
160.05226	6.3
161.02332	3.6
161.05971	12.4
161.13257	21.7
162.06743	4.6
163.03876	9.5
163.07579	2.7
163.14822	8.9
165.09135	2.0
165.12691	4.9
175.03848	3.3
175.07516	6.7
175.14796	14.2
177.05461	3.2
177.09125	10.5
177.16473	3.3
178.06279	4.4
179.03386	3.2
188.04866	2.0
189.05493	4.5
190.06252	8.5
191.03381	5.9
191.07043	5.5
193.08604	14.1
193.15829	2.2
203.07001	3.6
203.14317	3.5
203.17963	50.9
204.13237	1.9
206.05708	7.2
221.04422	12.8
221.08057	26.1
221.11482	4.2
221.15669	10.2
221.19009	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.46200	1.9
53.03948	5.8
53.82437	2.4
55.01857	10.1
55.05509	30.2
57.07062	9.0
58.58792	2.1
67.05503	31.8
67.05833	4.6
69.03432	64.3
69.07076	21.1
70.17134	2.2
71.04977	6.5
71.40649	5.0
79.05493	34.4
81.07059	95.3
83.04985	34.6
83.08603	6.6
85.06518	6.3
87.42338	2.3
91.05477	20.5
93.07050	29.7
95.04968	14.5
95.08611	41.7
97.06509	8.3
97.10146	4.2
103.05515	3.3
105.07037	41.8
107.04958	11.1
107.08581	29.6
109.06524	37.2
109.10154	50.1
110.07311	5.1
111.08087	21.0
115.05444	4.4
117.07011	7.5
119.08586	38.8
121.06486	9.3
121.10143	35.5
122.07253	3.7
123.08064	31.4
123.11674	6.6
125.09630	5.5
129.07018	2.9
131.08620	3.8
133.06487	7.4
133.10138	27.7
135.08022	7.8
135.11691	18.0
137.05975	49.0
137.07005	1.7
137.09604	30.3
137.13242	3.2
138.10349	5.0
139.11137	5.2
143.08629	2.8
145.10126	9.3
147.08034	15.6
147.11696	11.5
149.09616	3.5
149.13251	6.3
151.07558	15.9
151.11205	8.4
151.14839	3.3
159.11696	5.5
161.06015	11.5
161.09584	8.1
161.13240	24.4
163.11185	21.6
163.14827	3.2
165.09085	8.4
165.12711	2.4
175.07507	9.2
175.11172	5.6
175.14816	15.5
177.09108	24.5
177.12810	3.3
177.16354	4.7
179.14297	5.8
185.13171	2.5
189.05489	3.1
192.15086	2.9
193.15891	21.0
203.10686	4.4
203.14287	8.7
203.17931	11.6
221.04468	9.8
221.08084	10.9
221.11705	7.5
221.15358	100.0
221.18787	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03938	1.6
55.05507	7.6
56.96552	3.0
57.03433	0.8
57.07083	4.1
59.04977	0.8
67.05505	10.9
68.38882	0.8
69.03417	1.4
69.07072	11.5
71.04990	8.7
71.19083	2.0
79.05490	13.4
81.07056	27.2
83.04975	1.9
83.08621	5.4
83.42496	0.8
85.06528	2.3
91.05472	13.4
93.07045	34.2
95.04971	4.4
95.08606	28.4
95.09509	1.0
97.06522	3.7
97.10155	2.0
98.97575	1.2
99.08086	3.5
103.05470	1.3
104.06259	1.1
105.03417	1.4
105.06367	1.7
105.07029	22.6
107.08595	65.5
108.08935	1.0
109.06507	4.2
109.10162	15.7
111.04450	2.5
111.08074	5.3
117.07032	2.3
119.08582	39.7
120.09431	0.9
121.06502	1.8
121.10147	15.1
123.04414	0.8
123.08088	3.9
123.10905	1.4
123.11716	13.0
125.09634	1.7
131.08601	1.5
133.02844	2.5
133.06509	1.7
133.10130	100.0
135.11691	98.6
137.05981	1.5
137.09593	2.6
137.13307	0.9
139.07512	1.0
145.10081	2.8
147.08017	1.9
147.11688	14.0
149.13216	3.8
151.07547	1.4
151.11160	0.9
153.09129	1.2
159.11653	1.8
160.12494	1.3
161.02310	1.9
161.09668	2.3
161.13246	7.6
163.11145	1.6
163.14832	4.7
165.09126	1.4
165.12743	1.7
173.13196	1.0
174.99217	1.2
175.02812	1.5
175.14828	78.0
176.15205	0.9
177.16382	8.5
179.03389	2.7
179.07010	1.6
189.01924	1.1
193.15955	5.8
203.10756	1.0
203.14310	3.3
203.17952	12.8
206.16211	1.8
221.04471	11.0
221.07990	3.2
221.11723	1.9
221.13446	1.3
221.15384	19.5
221.18982	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	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03953	3.7
55.01875	11.4
55.05509	31.3
57.03414	4.1
57.07061	6.4
59.04995	5.3
59.48257	2.2
59.55629	2.4
67.05503	38.0
69.03069	3.9
69.03432	66.3
69.07073	21.1
71.04984	6.2
71.21766	2.6
71.22103	4.0
73.09091	2.1
77.03922	3.2
79.05495	43.1
81.07061	87.3
83.04534	3.4
83.04984	39.3
83.08625	12.7
85.02921	3.4
85.06512	4.7
91.05482	31.9
93.07047	33.4
95.04961	15.9
95.08610	35.9
97.06521	6.7
97.10166	3.1
98.97578	3.0
99.08085	4.4
100.38999	2.1
105.03400	2.3
105.07031	43.7
107.04951	11.6
107.08598	39.7
108.05713	2.6
109.06522	40.4
109.09457	2.7
109.10160	46.0
110.07387	3.8
111.04408	2.6
111.08082	26.7
115.05462	4.2
116.72617	2.4
117.07029	8.1
119.04958	3.2
119.08585	71.5
121.06519	13.7
121.10150	35.2
122.07297	3.5
123.08066	38.0
123.11715	7.1
125.09627	5.3
128.06274	3.4
131.04883	2.7
131.08533	6.4
133.02782	3.4
133.06487	11.7
133.10143	33.4
135.08058	11.5
135.11696	18.2
137.05977	46.9
137.09613	44.7
137.13210	2.9
138.10402	8.2
139.11188	4.0
142.07729	3.1
143.08575	4.2
145.10141	13.2
147.08067	16.9
147.11687	16.1
149.02347	9.3
149.09552	5.7
151.07552	16.9
151.11237	5.6
151.14780	4.0
157.10172	5.6
159.11697	7.2
161.02350	2.5
161.05989	12.2
161.09683	12.0
161.13284	28.0
163.07468	2.3
163.11183	27.3
163.14760	2.5
165.09097	8.6
165.12688	2.6
170.10919	3.5
173.09488	2.1
175.07584	6.3
175.11211	5.7
175.14861	18.1
177.09100	29.7
177.12733	3.6
179.03343	4.5
179.10686	3.1
179.14290	2.4
183.41266	2.6
185.13222	6.1
188.11917	3.8
192.15051	4.0
193.08624	3.8
193.15884	22.7
203.10693	3.3
203.14299	18.0
203.17995	8.7
204.22662	2.4
206.16281	2.4
221.04405	17.2
221.08058	6.2
221.11732	9.2
221.15367	100.0
221.18974	9.7
240.92960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46200	1.9
53.03948	5.8
53.82437	2.4
55.01857	10.1
55.05509	30.2
57.07062	9.0
58.58792	2.1
67.05503	31.8
67.05833	4.6
69.03432	64.3
69.07076	21.1
70.17134	2.2
71.04977	6.5
71.40649	5.0
79.05493	34.4
81.07059	95.3
83.04985	34.6
83.08603	6.6
85.06518	6.3
87.42338	2.3
91.05477	20.5
93.07050	29.7
95.04968	14.5
95.08611	41.7
97.06509	8.3
97.10146	4.2
103.05515	3.3
105.07037	41.8
107.04958	11.1
107.08581	29.6
109.06524	37.2
109.10154	50.1
110.07311	5.1
111.08087	21.0
115.05444	4.4
117.07011	7.5
119.08586	38.8
121.06486	9.3
121.10143	35.5
122.07253	3.7
123.08064	31.4
123.11674	6.6
125.09630	5.5
129.07018	2.9
131.08620	3.8
133.06487	7.4
133.10138	27.7
135.08022	7.8
135.11691	18.0
137.05975	49.0
137.07005	1.7
137.09604	30.3
137.13242	3.2
138.10349	5.0
139.11137	5.2
143.08629	2.8
145.10126	9.3
147.08034	15.6
147.11696	11.5
149.09616	3.5
149.13251	6.3
151.07558	15.9
151.11205	8.4
151.14839	3.3
159.11696	5.5
161.06015	11.5
161.09584	8.1
161.13240	24.4
163.11185	21.6
163.14827	3.2
165.09085	8.4
165.12711	2.4
175.07507	9.2
175.11172	5.6
175.14816	15.5
177.09108	24.5
177.12810	3.3
177.16354	4.7
179.14297	5.8
185.13171	2.5
189.05489	3.1
192.15086	2.9
193.15891	21.0
203.10686	4.4
203.14287	8.7
203.17931	11.6
221.04468	9.8
221.08084	10.9
221.11705	7.5
221.15358	100.0
221.18787	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	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03933	6.6
55.01857	9.2
55.05260	2.3
55.05509	29.5
56.72157	2.6
57.07061	6.1
65.03924	2.9
67.05503	24.1
69.03073	3.9
69.03428	62.1
69.07071	20.4
69.53757	17.7
71.04996	4.5
79.05051	3.0
79.05492	36.1
81.07059	75.3
83.04984	34.0
83.08604	11.1
85.06534	4.2
91.05467	20.5
93.07055	22.0
95.04990	12.0
95.08604	35.9
97.06509	6.0
97.10151	2.6
98.97566	4.5
105.07032	28.7
107.04945	10.4
107.08591	29.9
109.05870	3.4
109.06521	35.2
109.10157	43.0
110.07299	3.9
111.08087	27.9
117.07020	5.5
119.04957	2.5
119.08581	49.2
121.06505	11.4
121.10155	34.4
123.08083	33.9
123.11696	6.9
125.09605	5.6
127.07594	2.5
129.06987	4.1
131.08542	5.5
133.06497	3.9
133.10118	24.5
135.08052	7.1
135.11684	17.2
137.05005	3.0
137.05978	40.6
137.09624	36.2
138.10376	9.1
139.11189	5.0
143.08611	3.6
145.10112	8.8
147.08072	12.9
147.11676	11.6
149.09624	6.2
149.13297	3.1
151.07547	11.5
151.11108	5.1
151.14896	3.0
157.10080	4.3
159.11726	6.3
161.02345	2.6
161.05966	6.4
161.09601	9.0
161.13251	17.5
163.03770	2.6
163.11209	22.8
165.09073	10.0
165.16345	2.3
175.07581	3.5
175.11189	4.8
175.14845	15.9
177.09102	16.7
177.12779	5.1
179.03387	4.9
179.14282	3.8
189.01967	2.8
189.05446	2.6
191.03284	3.4
192.15100	3.5
193.08583	2.9
193.15921	18.7
203.03377	2.8
203.10570	3.3
203.14314	9.8
203.17921	5.9
203.21892	2.5
207.03300	2.2
221.04433	17.9
221.08107	6.4
221.11722	6.5
221.15361	100.0
221.18938	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	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01870	0.3
55.05498	0.7
56.96567	0.2
57.63475	0.2
59.08252	0.2
60.12748	0.2
61.23066	0.2
67.05502	0.9
69.03441	0.2
69.07062	0.7
71.45241	0.2
79.05511	0.9
81.07057	2.1
83.04982	0.3
83.08627	0.3
89.72199	0.2
91.05473	1.8
92.54800	0.2
93.07036	1.7
95.04958	0.2
95.08600	1.8
97.02887	0.2
97.06523	0.3
98.97592	0.3
103.05497	0.2
105.03410	0.3
105.07023	2.3
107.08596	1.8
109.06503	0.5
109.10169	0.9
111.08067	0.5
115.05461	1.3
116.06221	0.7
117.07012	5.0
119.04927	0.4
119.08586	1.8
121.06489	0.6
121.10166	1.0
121.14178	0.2
123.08066	0.3
123.11692	0.4
128.06241	1.0
129.07109	0.2
131.04910	0.6
131.08560	0.3
132.05676	0.3
133.06502	1.4
133.10120	1.6
134.07269	1.0
135.08055	1.4
135.11688	0.8
137.09605	0.3
143.08539	1.1
144.05672	0.6
145.06528	0.9
145.10136	0.2
147.04373	0.3
147.08051	0.7
147.11656	0.9
149.02408	0.3
149.09665	0.3
152.23428	0.2
155.65399	0.2
157.10138	0.4
159.11568	0.4
160.05148	0.3
161.06000	1.0
161.09622	0.4
161.13263	1.3
162.06764	5.6
163.11111	0.2
163.14841	0.6
165.09172	0.4
171.08064	0.6
175.07562	2.8
175.11153	0.2
175.14793	0.6
177.09102	100.0
178.09442	0.7
185.13258	0.4
189.05434	0.3
193.08498	0.3
203.10690	0.9
203.14246	0.9
203.17905	0.9
203.77750	0.2
221.04440	1.2
221.08035	0.5
221.11798	0.9
221.15355	1.5
221.17320	1.4
221.19304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39386	0.1
55.05502	0.2
65.46757	0.1
67.05496	0.5
69.07067	0.3
71.04999	0.2
71.61411	0.2
76.01679	0.1
79.05479	0.6
81.07055	1.1
83.04969	0.1
83.08596	0.2
85.06545	0.1
91.05483	1.5
93.07063	1.0
95.04977	0.2
95.08618	1.1
97.06547	0.2
97.10142	0.2
99.78255	0.1
103.05476	0.3
104.96239	0.1
105.07040	1.7
107.04974	0.3
107.08598	1.0
109.06507	0.2
109.10167	0.6
115.05474	1.5
116.06231	0.7
117.07030	4.6
119.04951	0.4
119.08588	1.4
121.06495	0.7
121.10122	0.4
123.08067	0.2
123.11703	0.3
128.06226	1.0
129.06964	0.1
131.04956	0.3
131.08556	0.3
132.05728	0.2
133.06454	1.0
133.10136	0.4
134.07266	1.1
135.08063	0.9
135.11697	0.8
139.11159	0.2
143.08557	1.0
143.94275	0.1
144.05687	0.8
145.06467	1.1
145.10103	0.2
147.04443	0.2
147.08054	0.4
147.11679	0.6
149.05940	0.2
149.09634	0.3
149.13217	0.2
151.07462	0.2
155.47101	0.2
157.10052	0.2
160.05186	0.3
161.05998	1.0
161.09651	0.2
161.13274	0.6
162.05432	0.3
162.06764	5.1
163.11192	0.2
163.14836	0.2
171.08073	0.6
175.07558	2.7
175.11148	0.3
175.14781	0.2
177.09111	100.0
178.09418	0.6
185.13327	0.2
189.05511	0.2
189.09013	0.2
203.10657	0.5
203.14272	0.3
203.18005	0.6
221.04453	0.4
221.08000	0.3
221.11658	0.5
221.15344	0.6
221.18979	0.6
240.94870	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	221.0785
Annotation	Carbamorph
Peak:m/z	Relative Intensity
55.01839	1.4
55.63454	1.5
56.96561	3.1
65.56761	1.4
67.05492	1.9
69.82493	8.4
72.90239	1.5
74.64228	1.4
79.05514	1.7
95.04959	2.5
95.08590	1.7
97.02898	1.6
98.97578	5.9
105.03423	2.2
105.07014	3.7
107.08583	2.1
116.98591	2.0
121.06476	2.0
132.13942	1.7
133.02899	2.1
133.06525	2.6
133.10112	2.4
140.35568	1.6
151.07555	1.9
161.05984	5.3
162.06783	2.7
163.29507	1.7
165.09177	1.5
175.07549	3.0
176.77399	1.3
177.00575	1.6
177.09126	4.4
179.03508	1.7
179.07013	1.7
186.55959	1.6
189.05243	10.9
193.08574	4.5
206.05812	2.2
221.04683	8.6
221.07849	100.0
221.15340	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05470	2.0
55.05707	0.6
56.96561	4.3
57.03391	2.0
57.07049	1.4
61.02892	1.3
65.03933	0.6
67.05463	1.8
69.03424	4.6
69.07030	1.3
70.55663	2.2
72.71969	0.6
73.02907	2.9
73.06511	0.8
74.02407	1.0
79.05476	0.7
79.13699	0.6
81.03374	1.1
81.07014	2.5
82.02875	1.7
83.04928	0.9
83.08578	1.2
84.95980	0.8
85.02896	2.8
87.04435	1.0
90.05543	1.4
91.05394	1.5
93.07008	1.0
94.06566	3.7
95.04912	1.4
95.08578	1.1
97.02900	4.1
98.97590	7.5
103.05401	0.9
104.04961	1.1
105.03376	1.5
105.06992	1.6
107.04845	0.7
107.08577	1.4
109.10150	2.1
110.97578	1.6
111.08037	2.5
115.05428	1.4
116.98594	2.8
119.01799	1.1
119.08572	1.5
120.08088	1.3
121.06455	1.9
122.15517	0.8
123.04410	0.6
123.11688	0.7
125.59541	0.6
127.03965	0.7
128.98572	1.7
130.06529	72.1
131.04868	0.8
131.06850	0.8
132.04453	41.6
133.02835	1.9
133.10106	1.9
135.08025	1.1
137.05896	0.7
137.09586	1.4
140.05994	0.7
140.98598	0.9
143.00194	1.0
146.02287	1.3
146.04128	0.9
146.99628	0.8
147.04424	0.8
148.07564	2.5
153.09117	1.4
155.04631	3.2
155.54829	5.2
156.04807	1.1
156.06856	1.0
156.97469	3.2
157.07617	38.3
158.06015	81.1
158.99635	2.3
160.05219	0.6
161.01135	1.0
161.02542	1.0
161.05975	1.0
165.09181	0.9
170.99577	0.7
174.98586	1.7
175.08672	100.0
176.07062	2.3
176.09152	0.9
177.00739	1.0
179.03432	1.5
182.03426	1.0
185.07147	1.1
186.05516	2.7
189.01955	0.9
189.05615	0.7
191.03899	1.8
192.04147	0.6
193.15886	2.0
198.98592	0.7
200.04420	1.9
201.00751	1.0
203.03783	0.8
203.08183	13.5
203.11098	0.8
204.06572	4.2
206.16341	0.9
216.99661	1.4
219.01862	1.2
221.04482	10.0
221.09274	21.5
221.13116	2.9
221.15430	2.6
221.18199	0.6
222.04510	0.7
227.02280	0.7
237.02922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01865	0.9
55.35873	0.8
56.01397	1.1
56.96564	0.9
57.07077	6.6
59.05001	5.3
67.05508	5.9
69.07068	5.6
70.02954	8.1
71.34113	0.9
72.04147	1.1
72.04520	16.6
73.02908	3.8
73.75025	0.7
74.02441	1.2
75.25110	0.9
79.05496	0.8
81.07055	1.2
83.04952	1.1
85.06541	10.7
86.09682	1.3
87.04452	0.9
87.08088	2.5
90.05556	100.0
95.04975	7.0
96.08104	1.4
98.02415	17.6
98.97530	1.6
100.03944	2.3
103.07047	0.9
103.07590	8.9
106.03326	0.7
113.06002	3.1
116.03456	14.4
124.07594	18.5
142.08662	8.6
156.10216	1.2
158.11752	3.4
160.09657	1.5
166.08621	2.2
172.09537	0.7
172.46117	0.9
174.11189	2.2
184.09700	21.5
202.10747	28.7
205.15871	2.2
220.11798	28.4
220.17775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
52.31364	0.2
56.96558	0.2
65.68051	0.3
67.05451	0.3
69.51593	1.1
69.52005	0.5
79.05497	0.5
91.05471	0.4
92.17689	0.2
93.07067	0.3
96.08947	0.3
98.21463	0.5
100.60036	0.2
105.07025	0.7
106.07376	0.4
107.08599	0.4
118.06548	9.5
119.07346	0.4
119.08541	0.5
120.08105	0.4
120.08892	0.7
131.08568	0.4
132.08052	2.1
132.08911	0.4
133.08893	0.7
133.10118	0.5
134.09627	0.6
134.10519	0.4
135.11710	0.3
144.08034	0.5
146.09584	2.4
147.10399	0.3
147.44171	0.3
160.08395	0.5
160.12161	0.3
162.09140	5.7
162.13597	0.6
175.07092	0.7
176.10757	3.6
176.14348	25.6
177.09132	0.6
177.11484	1.1
190.09563	0.6
190.12270	2.8
195.76582	0.3
202.15831	0.6
204.14517	0.5
205.15878	1.8
220.16960	100.0
221.17305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70886	2.0
55.05502	3.9
56.96570	8.8
57.07079	4.6
58.99852	2.6
61.41800	2.0
64.80077	1.6
67.05498	3.5
67.83627	1.6
69.07071	3.2
71.59526	1.7
71.59903	2.3
71.95298	1.9
77.00942	2.7
81.07056	3.7
82.01450	33.4
83.04964	2.6
83.08588	2.2
95.08585	4.2
98.96991	3.5
98.97588	34.5
100.02489	90.0
101.00886	26.2
102.02183	2.0
103.00651	7.7
103.02473	2.2
105.03407	5.1
111.08083	3.2
116.98624	22.9
117.02180	3.7
118.03530	42.8
119.01923	98.8
120.02041	4.5
121.01671	24.8
121.06554	4.5
123.11702	2.0
127.00903	2.2
129.04005	2.2
133.02731	3.0
134.99724	12.9
135.03210	13.4
136.00015	2.1
136.04623	7.2
137.02959	34.7
138.03055	2.1
139.00919	3.9
139.02690	3.7
142.03514	26.8
143.03679	2.5
145.01669	2.4
148.01434	4.4
148.48470	2.0
149.04779	3.4
150.51740	7.5
151.01785	1.8
153.00713	1.9
153.04271	2.7
156.56128	2.0
156.78864	1.7
156.97470	3.4
157.49084	2.6
158.04314	2.7
159.52191	4.3
160.04579	6.5
161.03035	21.3
161.04430	2.9
163.02672	12.5
166.98766	6.4
169.48976	11.5
169.99083	3.1
173.04730	13.4
174.06133	6.2
174.93883	3.7
174.97542	3.6
175.02748	4.0
175.04550	5.8
177.00941	22.6
178.47992	2.0
178.49533	35.5
178.50970	3.4
178.99530	8.1
179.00871	17.9
179.04070	32.0
179.05624	3.7
179.49498	3.9
179.98079	46.3
180.99770	9.2
181.49872	6.4
185.96030	4.4
186.97702	4.8
187.50137	5.0
190.00351	25.6
190.50397	8.5
191.00337	2.0
191.05914	7.6
192.94789	2.8
194.96535	4.1
195.51558	4.2
195.96526	3.0
195.98199	6.1
196.94563	5.6
197.46924	4.9
197.94525	4.8
197.99161	100.0
198.02339	3.9
198.04388	4.4
198.06209	8.4
198.09761	2.7
198.48476	8.8
199.50056	3.0
203.00797	3.4
203.97018	4.4
206.16356	2.4
206.50868	2.6
207.02821	3.1
207.48984	11.4
212.92262	2.6
214.95573	23.8
215.95677	21.8
216.00105	4.2
216.07356	2.1
216.11362	3.1
216.95372	4.4
221.01825	95.6
221.04509	22.4
221.06976	52.7
221.15309	2.7
232.96623	16.0
233.96671	13.9
237.97179	5.1
238.95505	5.4
238.97400	6.6
239.04123	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	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03941	1.4
53.42694	0.8
53.79425	0.8
55.01870	2.3
55.05515	6.0
56.96566	1.1
57.03432	1.6
57.07066	2.5
59.04996	2.4
67.05508	10.0
69.03421	1.0
69.07070	8.1
69.28426	2.2
69.28833	8.1
69.48882	1.1
71.04964	1.3
79.05502	7.0
81.07062	14.2
83.04964	2.7
83.08610	3.6
84.72159	0.9
85.06535	2.1
91.05489	10.3
93.07050	13.1
95.04971	1.6
95.08611	16.2
97.06539	2.6
98.21603	1.6
99.08085	1.0
102.77752	1.0
103.05485	0.9
105.07034	20.2
105.07751	1.1
107.08600	28.0
108.27726	1.0
109.06517	5.0
109.09544	1.2
109.10170	13.0
111.08069	2.1
117.07022	9.7
119.07789	1.7
119.08588	24.7
121.06484	2.1
121.10139	15.3
123.08055	3.7
123.11714	2.6
125.09625	2.1
129.06993	3.5
130.07791	2.1
131.04939	1.2
131.08572	13.8
133.06390	1.0
133.10136	11.4
134.07268	1.3
135.04445	1.1
135.08072	4.9
135.11684	8.1
137.09604	6.3
137.13243	1.6
141.06949	1.1
143.08582	1.6
144.09328	2.0
145.10120	20.7
147.08032	1.0
147.11688	11.2
149.09625	21.6
149.13242	4.7
151.11197	2.0
154.93100	1.3
157.10132	1.9
158.07266	1.2
159.08029	1.8
159.10419	1.7
159.11702	26.5
161.09573	1.4
161.13275	19.9
163.07523	1.4
163.11188	7.6
163.14735	1.7
172.94191	1.1
173.09537	1.2
173.13255	8.3
174.06770	3.0
175.07578	1.6
175.14845	6.0
177.12723	4.2
177.16357	1.2
187.07556	1.2
189.09116	2.5
189.16344	1.2
190.95352	1.1
191.17929	2.3
201.09138	1.3
201.12766	1.0
201.14540	1.6
201.16394	28.6
203.14328	7.9
219.06474	1.2
219.10213	4.6
219.13860	3.7
219.17442	100.0
220.17799	1.1
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
50.60525	0.8
55.01881	1.6
55.05515	1.2
56.96573	0.8
57.07081	8.3
59.04998	4.8
67.05498	6.5
69.07069	4.9
70.02956	7.7
70.18548	3.3
72.04520	16.8
72.04920	1.2
73.02920	4.3
73.06536	0.7
73.70757	0.7
74.02431	1.8
81.07053	0.9
83.04970	1.8
85.02902	0.7
85.06543	11.2
86.09702	2.3
87.08114	2.8
90.05556	100.0
91.90789	0.7
93.96915	0.8
95.04977	7.5
96.08110	2.1
98.02417	17.7
98.21450	0.9
98.97582	1.5
100.03981	2.8
103.07571	8.2
108.17226	0.7
110.97558	0.7
113.06026	3.7
116.03453	14.1
116.36379	0.7
124.07600	16.1
131.07076	0.9
142.08632	5.4
156.10217	1.8
158.99760	0.7
160.09734	2.1
166.08682	2.5
174.11276	2.5
184.09677	17.7
202.10751	30.3
204.14653	1.1
205.15909	3.1
220.11801	27.6
220.17805	4.5
240.87617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03947	1.8
55.05510	5.2
56.96552	2.1
57.03424	1.4
57.07059	3.2
58.06454	1.1
60.83331	1.3
64.57129	1.1
67.05170	1.2
67.05508	17.9
69.07062	13.4
69.30436	5.2
69.30869	5.4
71.04989	1.6
71.36579	1.2
79.05492	18.7
79.26802	1.0
81.07058	29.4
83.04982	3.1
83.08617	2.2
85.06560	2.9
87.24709	1.0
91.05478	22.2
93.07047	33.2
94.43489	1.3
95.04961	4.4
95.08044	1.7
95.08607	25.5
97.06540	5.4
97.10135	1.5
103.05460	2.4
105.07034	32.7
107.04947	1.5
107.08598	29.3
109.06487	2.6
109.10162	19.9
111.08067	3.6
115.05423	4.0
117.07010	20.7
119.07775	2.4
119.08580	28.6
121.06481	2.3
121.10143	24.2
123.08044	2.5
123.11694	3.1
128.06131	1.5
129.06987	3.4
130.07802	2.9
131.04933	2.3
131.08572	31.3
132.05626	1.3
133.10133	15.4
135.08076	2.3
135.11682	13.3
137.09610	4.7
141.06956	2.4
143.08560	3.1
144.09320	1.4
145.06516	1.4
145.10126	47.6
147.08043	1.8
147.11659	6.8
149.09618	3.1
149.13254	3.2
151.11203	1.4
157.10124	1.8
158.11024	1.4
159.11700	30.4
160.05173	1.5
161.13277	9.2
163.11182	9.0
163.14857	2.0
173.13278	15.8
174.06732	4.4
175.07555	11.4
175.14807	5.1
177.12767	2.6
189.09123	3.5
191.10623	1.2
191.14285	1.4
191.17891	2.3
201.09114	2.4
201.16385	68.6
203.14267	3.8
205.11761	1.4
219.10182	28.0
219.13884	3.1
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	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03935	2.0
55.01873	1.4
55.05508	6.8
56.96540	2.8
57.03419	1.8
57.06866	0.7
57.07076	9.0
58.07401	2.3
59.04976	1.3
67.05170	1.1
67.05503	18.6
69.03422	1.2
69.07066	9.5
69.90486	3.3
69.90899	2.0
70.06308	0.6
70.06592	8.9
71.04975	2.7
71.06916	3.2
71.08622	2.8
72.08955	1.6
75.33369	0.7
79.05489	18.3
81.03384	1.1
81.07058	30.1
83.04971	2.7
83.08608	3.9
85.06529	2.0
88.07630	14.1
89.07954	4.1
91.05480	24.5
93.07046	32.4
95.04961	3.3
95.08608	26.3
97.06527	5.4
98.97569	2.0
102.09181	2.3
103.05453	1.3
103.09499	2.0
105.07030	32.5
106.08643	5.3
107.04947	1.8
107.08569	27.2
109.06522	4.5
109.10157	16.7
111.08073	3.7
115.05435	3.7
116.06233	1.8
117.07015	19.9
119.08580	25.4
121.06467	2.8
121.10143	21.7
123.08040	2.6
123.11690	5.5
125.09615	2.9
128.06204	2.7
129.07013	7.2
130.07773	2.8
131.04932	1.8
131.08571	33.3
133.06523	1.1
133.10136	19.6
135.08093	3.9
135.11687	14.4
135.16219	0.9
137.09589	5.8
141.07018	4.1
143.08546	3.1
144.09326	2.1
145.06425	2.2
145.10126	40.3
147.08012	1.5
147.11682	8.0
149.09615	6.0
149.13234	3.5
154.93109	1.0
154.94243	1.5
157.06505	2.7
157.10121	2.5
158.07289	2.4
158.10907	1.6
159.04405	1.1
159.08069	3.4
159.11691	30.8
160.05235	1.1
160.12337	0.8
161.09717	1.6
161.13254	11.7
163.11186	9.4
163.14819	1.9
169.06438	1.4
171.11710	1.0
172.12418	1.5
172.94267	3.3
172.95526	1.1
173.13257	17.4
174.06793	5.7
175.07478	3.2
175.14827	5.2
177.09155	0.8
177.12723	2.0
183.11679	1.3
186.06770	1.8
189.09090	9.5
190.95274	1.8
191.17955	2.3
201.09084	4.4
201.12689	2.9
201.16397	51.0
201.20303	6.4
203.14308	7.9
219.06599	1.3
219.10182	13.8
219.13858	6.3
219.17442	100.0
219.21489	84.1
221.48244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Solavetivone
Peak:m/z	Relative Intensity
55.01860	2.1
55.05525	5.9
55.05737	1.2
56.96576	7.8
57.07069	2.6
61.54996	1.0
67.05508	19.3
69.03430	8.0
69.07061	8.6
69.27714	10.0
79.05491	15.0
81.07059	59.6
83.04958	1.4
83.08603	4.9
83.09058	1.0
91.05483	7.4
93.07052	24.7
95.04978	2.1
95.08607	26.5
97.06537	14.5
105.07044	12.9
107.04957	2.6
107.08595	21.8
109.06512	5.5
109.09444	1.6
109.10156	24.6
111.08083	20.6
117.06985	2.7
117.74417	1.3
119.08578	13.2
121.06494	3.3
121.10143	19.9
123.08067	10.0
123.11701	22.5
125.09621	3.4
131.08559	7.9
133.10138	9.0
135.08044	9.5
135.11703	9.3
136.92181	2.4
136.93123	2.0
137.09601	10.3
145.10124	14.1
145.82552	1.1
147.07954	2.0
147.11624	2.7
149.02271	1.0
149.09619	16.1
149.13228	4.3
151.11270	2.4
153.87894	1.1
154.93146	7.3
154.94260	1.5
155.07288	1.1
159.11725	13.2
161.09618	2.6
161.13235	8.3
163.11192	18.2
164.07610	1.1
172.94153	8.8
173.13216	6.6
173.77289	1.2
175.14832	3.2
177.12746	3.7
177.16382	4.6
178.84111	1.1
185.10077	1.3
187.12546	1.1
190.95358	4.4
191.18027	1.6
195.95854	2.2
201.16374	16.4
203.14261	8.3
213.96918	2.9
219.17436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.5
56.61670	0.8
56.96564	18.3
57.03428	2.2
57.07078	0.8
59.04996	0.8
60.04529	67.2
61.02926	1.3
63.68887	0.7
65.03943	1.1
67.05493	2.7
69.03418	3.3
69.07082	3.5
70.02943	0.7
70.13223	1.3
70.13607	2.0
71.01351	1.8
71.04991	1.1
71.95256	0.9
72.08139	2.4
73.02905	3.1
74.06069	1.7
75.04486	2.1
79.05493	1.9
81.03414	2.7
81.07056	3.1
83.04977	1.5
84.08150	10.9
84.96043	1.6
85.02908	4.2
85.05409	0.8
85.06541	1.4
86.09709	47.3
87.04451	2.6
87.05585	2.1
90.05541	3.0
91.05470	3.1
93.07025	4.0
95.04958	1.1
95.08597	2.1
96.08072	0.7
97.02885	2.8
98.97590	29.7
103.03931	3.0
103.05482	1.8
105.07046	4.3
107.04948	3.3
107.08602	2.6
109.02877	1.2
109.06540	1.7
109.10201	0.8
110.97565	4.5
111.02950	0.8
111.04445	2.3
112.04668	0.7
112.99020	0.7
115.05405	1.2
116.98624	18.2
117.05382	0.8
117.06995	1.2
118.92079	3.4
119.01896	1.9
119.08590	4.7
120.08096	1.0
121.06498	1.3
121.10153	6.5
123.08008	1.0
124.07555	1.5
126.79578	0.7
127.03898	0.8
127.77388	0.8
128.02350	1.1
128.10736	5.3
128.98621	5.1
129.05559	0.9
129.06984	0.9
131.00162	1.6
131.03406	1.2
131.04919	1.1
131.08517	1.0
132.10216	31.4
133.10126	5.3
134.99661	7.5
135.04446	1.0
135.11674	2.1
136.92099	1.6
136.93115	15.7
137.02341	13.8
137.06009	1.1
143.00166	1.9
143.08586	0.9
145.06444	1.2
145.10109	1.9
146.06006	1.3
146.99709	4.0
147.03244	1.3
147.04395	2.1
147.05760	1.8
147.11656	1.3
149.01198	1.9
149.05980	1.7
149.13208	0.8
153.00671	0.9
154.94191	32.4
155.00124	1.3
157.03467	0.9
157.07556	2.5
158.11829	1.1
158.99680	5.3
159.02992	3.2
159.04333	1.1
159.08014	1.8
159.11710	1.3
161.01257	2.3
161.03011	1.4
161.04625	3.3
161.09607	1.7
161.13280	3.7
163.03896	4.2
163.11137	0.9
165.05522	1.0
167.07072	1.5
170.10838	0.8
170.99579	1.2
172.95296	63.3
173.01236	1.0
173.02840	1.3
173.05959	1.0
173.09668	1.6
173.12862	19.0
175.02635	0.9
175.08617	1.6
175.14804	1.1
176.94569	1.0
177.00700	6.0
177.05550	1.5
177.95714	1.4
178.02090	1.2
179.03432	2.1
184.09639	1.3
187.02603	2.4
187.11194	1.6
188.11971	1.0
189.00731	1.3
190.96425	26.9
191.05450	1.3
191.07043	1.0
191.10625	1.1
191.96883	0.9
195.05180	0.9
195.96951	5.2
196.03178	1.6
201.00769	1.1
201.12383	2.8
201.16216	1.2
203.14322	30.5
208.04921	1.8
213.98138	1.7
219.01723	4.9
219.06766	4.8
219.11435	2.0
219.13493	5.2
219.17447	100.0
219.20990	2.9
237.02837	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05504	1.7
57.03421	2.0
67.05500	3.8
69.03408	1.4
69.07068	1.6
69.33571	2.2
69.33970	8.4
75.60069	1.0
79.05475	3.2
81.07059	5.3
91.05482	13.3
93.07023	4.7
95.04969	1.4
95.08601	4.1
98.20689	1.8
98.97578	1.5
103.05457	4.2
105.07032	11.0
107.04958	1.5
107.08610	5.2
107.13097	1.0
109.06534	1.7
109.10133	1.8
115.05464	10.7
115.55604	1.0
116.06188	3.2
117.07007	4.6
119.08577	6.6
121.10130	4.0
123.11649	1.9
125.09603	1.1
128.06224	10.5
129.07005	43.9
130.07767	4.7
131.04926	8.4
131.08568	42.9
133.06448	1.2
133.10135	7.1
135.08051	1.6
135.11647	1.7
137.05994	3.1
141.06996	39.3
143.04979	2.5
143.08548	3.5
144.05667	5.9
145.06508	10.8
145.10121	8.5
146.07230	6.7
147.08051	2.0
147.11716	2.8
149.09630	2.0
153.06955	1.0
155.06012	1.3
157.06488	25.5
158.07280	23.1
159.04385	3.4
159.08064	31.2
159.11673	5.0
160.05193	6.6
161.05949	1.7
161.09616	4.4
161.13222	2.3
163.07578	2.0
169.06468	15.3
169.07697	1.3
170.07295	6.5
171.08041	2.0
173.05951	4.1
173.09566	2.0
173.13228	3.0
174.06772	79.7
175.07556	14.5
177.52298	1.0
185.05997	1.1
186.06769	20.1
187.07550	2.1
188.08319	4.5
189.09111	96.6
190.09502	2.5
191.10654	7.7
201.09123	42.7
201.16391	7.9
203.14310	5.8
206.08784	1.1
219.10165	100.0
219.13727	3.0
219.17435	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.77183	1.1
55.05512	6.3
56.96568	1.9
57.03422	2.1
67.05508	6.0
69.07066	7.0
69.81563	7.2
71.04992	2.7
75.09512	1.1
79.05479	6.7
81.07063	11.5
81.85254	1.2
81.99126	1.4
83.04971	2.3
83.08613	2.5
91.05479	18.8
93.07027	11.4
95.04963	2.5
95.08603	10.3
97.06512	2.3
98.97593	3.5
103.05463	5.2
105.07039	22.8
107.08580	12.4
109.06538	2.6
109.10161	7.1
111.04462	1.3
111.08088	2.1
113.09747	1.3
115.05418	9.5
116.06243	3.6
116.98642	1.7
117.07001	9.9
119.07774	2.0
119.08575	16.9
121.06509	3.1
121.10139	11.2
123.08039	3.5
123.11714	2.3
125.09623	1.4
128.06230	10.1
129.06998	39.5
130.07771	4.6
131.04904	9.1
131.08569	45.8
133.10123	19.4
135.08029	3.7
135.11687	5.3
137.05974	3.3
137.09567	2.2
141.06990	35.5
142.07719	1.1
143.04929	2.1
143.08514	3.4
144.05713	8.2
144.09309	2.1
145.06438	7.0
145.10109	14.7
146.07292	4.1
147.08110	1.4
147.11674	6.0
148.05099	1.8
149.09615	2.3
149.13243	2.6
154.94202	2.1
156.05721	1.5
157.06474	17.3
157.10106	1.9
158.07291	19.5
158.10777	1.3
159.04419	5.1
159.08064	26.5
159.11681	16.5
160.05164	4.7
161.04564	1.2
161.05930	1.9
161.09605	5.0
161.13260	13.1
163.07516	3.2
163.11172	2.8
169.06447	12.3
169.07646	2.0
170.07234	7.1
171.04456	1.6
173.05974	5.0
173.09650	4.6
173.13274	7.4
174.06761	68.2
175.07475	10.0
175.11261	1.2
175.14825	4.4
177.09058	1.6
186.06744	18.0
187.07567	3.3
188.08351	5.0
189.09100	91.6
190.95305	2.0
191.10654	7.3
201.09111	37.4
201.12727	2.5
201.16347	13.9
203.14314	13.9
219.10162	100.0
219.13818	8.2
219.17432	80.6
219.19604	3.0
219.20978	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68335	23.2
57.13882	22.9
69.81793	100.0
69.82199	52.2
72.27325	23.5
79.66990	23.7
81.12778	23.7
81.23679	24.9
122.69318	26.0
138.86537	28.4
149.84555	25.8
150.69133	29.1
219.02724	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.07969	0.7
53.03929	0.9
55.01875	1.3
55.05498	2.9
56.96556	1.1
57.03430	1.4
57.07055	1.0
57.18108	0.8
57.30522	0.8
65.03893	0.7
67.05506	4.4
69.07076	3.8
70.73714	1.7
70.74060	0.7
71.04983	3.0
77.03896	1.0
79.05480	3.8
81.07064	9.8
82.06572	1.1
82.61776	0.7
83.04971	1.5
83.08563	1.6
85.06514	1.0
87.35677	0.9
91.04954	1.2
91.05481	18.1
93.07046	8.5
95.04942	2.4
95.08601	7.6
97.06551	1.2
98.97565	1.9
100.11205	1.6
103.05449	3.5
105.07023	15.4
107.04952	1.2
107.08602	8.8
109.06520	1.9
109.10159	2.8
111.08105	0.9
113.05096	0.8
115.05447	11.3
116.06221	4.0
117.06992	6.1
119.08581	12.0
121.06506	2.4
121.10141	7.5
122.36127	0.7
123.08051	1.2
123.11712	1.0
125.09611	1.3
128.06235	11.0
129.07004	42.8
130.07791	2.2
131.04929	8.9
131.08569	50.4
132.05719	0.9
133.06462	2.1
133.10129	13.9
135.08043	2.9
135.11678	3.2
137.05986	3.2
137.09567	0.9
141.06990	33.6
142.07661	1.2
143.04935	2.6
143.08543	2.7
144.05699	6.8
145.06480	8.5
145.10135	10.9
146.07234	5.1
147.08076	6.1
147.11670	2.7
148.05174	1.3
149.09615	2.8
149.13208	1.6
156.05722	0.9
157.06491	21.8
158.06319	0.6
158.07271	21.5
159.04427	4.3
159.08061	28.3
159.11684	10.7
160.05182	5.9
161.05930	1.0
161.09616	4.1
161.13242	6.0
162.06790	0.7
163.07555	3.4
163.11201	1.8
168.05760	1.4
169.06473	13.1
169.07648	1.1
170.07240	6.6
172.94244	1.0
173.05949	5.4
173.09550	1.8
173.13228	4.6
174.06761	76.0
175.07561	14.1
175.14796	2.7
177.09106	1.2
177.12698	2.0
185.06026	1.2
186.06767	19.0
187.07536	2.6
188.08354	4.1
189.09102	97.3
191.07048	1.4
191.10709	7.1
191.17883	1.6
201.09100	41.7
201.12805	1.3
201.16364	9.9
203.14359	8.9
219.10165	100.0
219.13766	6.4
219.17416	40.8
219.20663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	2.9
55.05263	2.5
55.05512	39.5
57.03411	1.7
57.07068	2.0
59.04996	2.4
61.02912	1.3
65.03937	1.5
67.05168	1.4
67.05507	25.2
69.03440	7.3
69.07071	17.1
69.43752	2.0
69.44145	8.8
71.01367	1.4
71.04977	1.8
73.02916	10.8
79.05496	14.4
81.03404	1.7
81.07059	31.0
83.04984	46.1
83.08618	7.9
85.02883	2.9
85.06541	3.7
87.04471	7.5
89.02401	4.6
89.06039	9.6
91.05481	17.8
93.07050	20.6
95.04956	3.5
95.08609	43.5
97.02882	3.2
97.06531	2.4
97.10172	1.6
98.20727	1.3
99.04446	4.1
99.93045	1.1
101.06023	18.3
103.05457	1.4
105.07037	45.8
105.07755	2.1
107.04945	1.8
107.08601	33.9
109.06516	3.3
109.09441	2.3
109.10154	37.7
111.04447	65.8
111.08070	1.5
113.06000	9.0
115.03932	1.7
115.05428	1.4
116.95464	1.2
117.07013	5.0
119.08585	44.2
119.09457	2.1
120.53336	1.3
121.06523	3.6
121.10149	30.0
123.08083	2.9
123.11717	13.3
127.07559	8.3
128.06215	6.6
129.05492	14.8
129.06979	7.0
131.05000	1.1
131.08566	12.6
133.06569	1.7
133.10130	31.4
135.11673	13.4
137.06012	2.1
139.03944	1.5
141.06891	1.1
142.07788	3.9
143.08580	6.6
145.06454	1.9
145.10109	9.2
146.07286	1.8
147.08035	3.0
147.11693	36.6
149.09634	2.0
149.13280	3.8
155.07036	82.4
156.05713	13.6
156.09372	3.2
157.06421	1.9
157.10126	9.9
159.08070	2.1
159.11671	9.4
160.12180	1.4
161.05984	2.3
161.09615	4.8
161.13266	37.5
171.11690	7.6
173.08112	48.8
173.13176	5.6
174.06783	2.3
175.07541	2.0
175.11189	2.2
175.14841	14.3
178.94615	1.4
184.05191	1.4
189.09100	3.1
189.12753	2.3
189.16415	6.9
199.07668	1.4
199.09657	4.0
199.11273	4.5
199.14796	9.2
202.06313	4.0
213.35681	1.4
217.05162	1.7
217.08611	17.7
217.10721	43.0
217.12392	9.1
217.16090	27.3
217.19530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03933	2.6
55.01883	1.5
55.05255	2.2
55.05510	32.4
57.07071	2.4
67.05502	23.0
69.03468	1.5
69.07063	15.8
69.83192	5.3
69.83600	2.6
73.02929	2.0
79.05491	9.0
81.07056	29.7
83.04978	36.0
83.08604	5.3
85.06571	1.7
87.04459	5.3
88.29897	1.2
89.02394	1.9
89.06050	7.8
91.05486	12.9
93.07050	21.0
95.08612	47.7
95.09232	2.4
97.10148	3.9
99.04475	1.9
101.06017	11.7
105.07027	39.4
107.08591	36.6
109.06482	1.6
109.10152	46.3
111.03686	2.7
111.04443	50.1
111.08083	1.5
113.06005	5.5
119.08581	38.2
121.09290	2.4
121.10136	30.7
123.11692	15.8
127.07555	6.7
129.05463	10.8
129.06982	1.7
131.08557	4.4
133.10133	27.7
133.11075	0.9
135.11705	11.9
137.05968	2.0
137.08315	1.2
137.13254	1.8
143.08537	1.8
145.10124	2.8
147.08099	2.8
147.11687	35.7
149.13272	3.1
155.07036	63.2
157.10123	2.0
158.07240	1.5
158.60945	1.3
159.11707	4.0
161.09607	2.0
161.11948	2.8
161.13258	42.7
161.14592	2.2
171.11693	3.0
173.08099	38.6
173.13242	1.8
175.14871	11.1
189.16371	4.0
199.09648	3.8
199.14777	2.7
216.75786	1.5
217.10623	41.7
217.12372	3.5
217.15897	13.5
217.19514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
51.00789	1.0
53.03937	1.4
55.01857	1.9
55.05255	1.8
55.05511	31.0
56.96556	2.5
57.07069	2.0
59.04998	2.6
62.10667	1.1
65.03918	1.1
67.05157	1.8
67.05500	22.9
67.23467	1.1
69.03419	2.2
69.04736	1.0
69.07063	16.7
69.66766	6.5
79.05489	11.0
79.84251	1.0
81.03423	1.7
81.07059	31.2
83.04982	31.0
83.08614	5.2
85.06528	2.8
87.04465	3.2
89.02381	2.0
89.06041	6.9
91.05484	12.8
93.07047	22.2
95.08607	50.9
97.10152	2.5
98.98472	1.1
99.04445	2.1
101.06026	11.9
105.07026	37.6
107.08595	35.4
109.06519	2.7
109.10158	47.1
111.04437	41.5
113.06013	5.0
117.07013	1.6
119.08583	35.8
121.10151	28.7
121.11008	1.6
123.11709	20.1
127.07539	6.2
128.06107	1.2
129.05476	10.2
129.06999	2.4
131.08560	3.8
133.10136	25.8
135.11700	10.7
137.05896	1.4
137.13275	3.1
143.08574	1.9
145.10136	4.0
147.11685	34.2
149.13284	2.5
155.07039	59.7
156.07320	1.3
157.10071	3.1
159.11705	4.8
161.09618	2.4
161.13252	49.4
162.98224	1.4
171.11679	2.1
173.08107	34.9
173.09566	1.5
173.13306	2.0
175.14825	12.3
189.16417	5.5
194.10883	1.1
199.09660	4.3
199.11313	1.5
199.14810	1.6
202.10016	1.1
217.10631	32.6
217.12404	3.7
217.15894	11.9
217.19516	100.0
218.11067	1.3
218.19911	1.2
238.33447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.05516	25.0
57.07071	1.6
67.05509	23.2
69.03424	1.6
69.07073	19.3
69.56431	5.0
69.56832	2.2
73.02889	1.1
79.05495	9.2
81.07061	31.9
83.04984	24.6
83.08626	6.2
87.04443	2.8
89.02400	2.0
89.06021	4.1
91.05473	11.8
93.07049	22.0
95.04954	1.4
95.08608	48.9
97.10158	2.6
99.04440	2.4
100.51793	1.1
101.06022	10.5
105.07033	40.2
107.08600	37.6
109.10164	47.3
109.10912	2.7
111.04449	37.3
111.98805	1.1
113.05958	4.1
117.07024	2.0
119.08585	36.1
121.10143	30.9
123.11712	17.9
127.07545	5.0
129.05501	7.1
129.07005	2.1
131.08549	3.5
133.10138	31.0
135.11700	15.3
137.13225	1.5
142.07729	1.3
143.08546	2.1
145.10124	3.0
147.08078	1.6
147.11697	34.1
149.13242	3.8
155.07040	48.7
157.10144	3.6
159.11679	4.7
161.09555	1.7
161.13269	44.9
171.11664	1.4
173.08113	27.9
173.09488	0.9
173.13197	1.3
175.14842	11.2
189.16316	6.2
199.09587	3.2
199.14848	2.1
217.10629	28.1
217.12408	3.0
217.15912	9.7
217.19524	100.0
218.11139	1.1
218.19868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03939	1.9
55.01870	1.8
55.05254	1.4
55.05507	19.7
57.03439	1.2
57.07063	2.2
59.05008	1.5
67.05505	24.6
69.03411	3.2
69.07063	16.2
71.01339	1.1
71.61854	1.9
73.02906	6.5
79.05492	11.1
81.03449	1.1
81.07055	22.2
82.51334	1.0
83.04977	21.0
83.08611	6.1
85.02852	1.6
85.06551	3.1
87.04439	2.6
89.02393	1.9
89.06034	3.0
91.05477	15.6
93.07047	19.3
95.04996	2.8
95.08608	46.9
97.10171	1.4
99.04470	2.0
101.06009	5.7
105.07030	43.3
107.04953	1.2
107.08592	39.7
109.06504	1.8
109.10154	48.2
111.04440	25.9
113.06016	2.9
117.06998	3.3
119.08578	41.8
121.06464	2.9
121.10144	27.3
123.11715	12.1
126.32861	1.0
127.07570	2.9
128.06244	3.2
129.05469	3.9
129.07004	3.8
131.08580	8.1
133.06491	3.5
133.10126	20.8
135.08121	1.3
135.11684	11.7
139.03920	2.1
142.07764	3.2
143.08562	5.6
143.73048	1.0
145.06456	1.2
145.10139	5.4
147.08051	2.8
147.11687	36.9
149.13226	2.4
155.07034	36.3
155.08327	1.3
156.05727	5.5
156.09378	3.4
157.10123	8.6
159.08044	3.1
159.11697	6.1
161.05977	1.3
161.09605	4.0
161.13249	38.8
171.11652	5.7
173.08115	17.9
173.09500	1.5
173.13260	4.4
174.06712	1.2
175.07434	1.1
175.11212	4.9
175.14841	8.6
187.14796	1.2
189.09076	2.4
189.12738	1.7
189.16354	5.1
199.11212	3.1
199.14789	4.2
202.06258	1.7
217.08586	11.6
217.10683	15.9
217.12740	6.1
217.16138	16.7
217.19508	100.0
218.19702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
52.08413	1.0
53.03936	1.2
54.70741	0.9
55.05259	1.6
55.05511	16.9
57.07076	1.3
59.04981	1.2
65.85738	1.1
67.05228	1.0
67.05515	12.0
69.03416	1.7
69.07066	16.4
79.05501	7.3
81.07060	21.6
83.04980	17.6
83.08649	5.0
85.06509	1.2
87.04447	1.9
89.02428	1.7
89.06024	3.6
91.05486	8.3
93.07050	12.1
93.59711	0.9
93.69269	1.0
95.04964	1.1
95.08607	48.0
99.04474	1.6
101.06031	7.2
104.73761	1.0
105.07027	26.0
107.08598	24.8
109.10159	36.4
111.04437	25.5
113.05984	2.6
115.05420	1.1
119.08574	24.9
121.10146	25.3
123.11697	12.9
124.25307	0.9
127.07553	3.4
129.05467	4.7
129.70407	1.0
131.08575	1.8
133.10143	14.6
135.11676	6.0
137.13243	1.2
143.08461	1.2
144.97769	1.0
147.11696	22.8
149.13229	1.6
155.07028	29.9
161.13261	36.3
171.11687	0.9
173.08107	18.0
175.14873	6.6
176.09357	1.4
189.16371	4.4
199.09651	2.7
217.08618	1.2
217.10594	18.2
217.12395	1.9
217.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.0
63.84284	1.6
67.05501	20.7
69.07065	11.9
70.90639	3.8
79.05490	17.0
81.07063	25.7
83.04982	12.0
83.08606	5.9
87.04453	2.3
89.06033	2.3
91.05474	13.2
93.07050	24.5
93.64445	1.4
95.08607	48.5
97.10155	2.2
101.06012	5.4
103.75126	1.5
105.07020	22.9
107.08593	35.0
108.56698	1.5
109.10159	48.2
111.04442	15.5
111.11757	2.7
113.05991	2.3
119.08581	22.5
121.10145	39.2
123.11700	17.3
127.07523	3.5
129.05467	4.6
131.08548	1.7
133.10130	20.8
135.11696	19.2
137.13264	3.8
145.10188	1.8
147.11684	45.6
149.13272	2.1
155.07037	20.7
159.11678	2.1
161.13260	39.9
169.10040	1.6
173.08084	11.1
175.14806	8.5
189.16338	2.7
192.57462	1.5
199.09555	1.8
217.10562	20.2
217.12442	2.8
217.19518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.30313	0.5
53.03932	1.3
55.01866	1.6
55.05255	1.3
55.05511	19.2
57.03434	0.9
57.07073	1.9
57.21400	0.6
59.04992	2.1
65.03932	1.5
67.05158	0.9
67.05504	12.9
69.03431	3.8
69.07067	21.7
71.04980	1.2
71.08640	0.8
71.61032	0.8
73.02940	1.5
73.06583	0.6
74.69209	0.6
79.05494	9.4
79.55845	0.6
81.03413	0.6
81.07057	18.1
83.04984	20.6
83.08627	5.9
85.06533	2.3
87.04459	2.4
89.02389	2.0
89.06037	3.0
91.04946	1.1
91.05474	14.1
93.07040	14.7
95.04963	6.7
95.08608	21.8
97.06529	2.5
97.10169	1.1
99.04478	1.7
100.40631	0.6
101.06012	8.4
103.05437	1.1
105.07031	28.1
107.04967	0.9
107.08595	16.4
109.06503	4.9
109.10154	15.4
111.04444	27.7
111.08078	2.8
113.06003	2.6
115.05443	2.2
117.07018	4.3
119.04895	0.7
119.08580	63.6
121.06509	2.6
121.10143	19.4
123.08070	3.3
123.11698	3.8
127.07555	3.4
128.06212	3.4
129.05496	4.7
129.06979	4.7
130.07858	0.9
131.08568	16.1
133.06537	3.2
133.10129	30.7
135.08067	3.4
135.11697	8.9
137.05959	1.5
137.09576	1.2
141.06914	1.0
142.07784	5.7
143.08566	12.3
144.09331	2.1
145.06509	1.0
145.10121	14.2
146.07286	1.2
146.10884	0.8
147.08031	7.7
147.11681	18.1
148.08826	4.8
149.09634	4.4
149.13234	1.6
155.07034	34.7
155.08376	1.9
156.09344	3.6
157.10124	16.2
158.10902	3.6
159.11696	15.2
160.08835	1.2
161.05971	1.2
161.09619	21.8
161.13242	10.8
162.10504	0.8
169.10176	2.2
170.10910	2.4
171.11691	9.8
173.08105	20.5
173.09459	1.1
173.13252	16.7
174.08296	0.8
174.10452	1.1
174.13907	0.9
175.11191	9.9
175.14809	13.5
184.12500	3.6
187.11122	3.1
187.14830	3.6
189.09122	4.9
189.12773	2.2
189.16383	12.2
199.09605	1.9
199.11279	2.0
199.14818	17.0
202.02582	2.3
202.13487	1.8
217.04973	2.8
217.08649	3.8
217.10716	18.1
217.12399	2.7
217.15886	100.0
217.19299	21.4
218.16267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03932	1.6
55.05256	1.2
55.05510	19.4
55.13314	0.9
57.07068	2.9
59.04995	1.0
64.86504	0.9
67.05506	20.5
69.03433	1.0
69.06712	1.3
69.07065	17.5
71.08619	1.0
79.05496	9.0
81.07056	24.2
83.04980	16.0
83.08604	4.7
85.06538	1.8
87.04454	1.6
89.02374	1.1
89.06001	2.6
91.05483	11.9
93.07045	15.7
94.16415	1.1
95.04992	1.1
95.08607	38.8
97.10166	3.2
97.74311	1.1
99.04514	1.1
101.06022	6.7
105.07027	35.2
107.07858	1.4
107.08593	26.5
109.10159	38.3
111.04444	19.2
111.11661	1.2
113.05980	2.0
117.07008	2.1
119.08582	37.0
121.10146	24.0
123.11700	16.1
127.07525	2.8
129.05453	3.5
129.07007	1.5
131.08568	2.7
133.10129	28.4
135.11694	11.7
137.13264	1.7
145.10129	2.7
147.11687	37.0
149.13258	3.4
155.05743	1.2
155.07025	25.0
159.11693	3.8
161.13268	33.5
173.08116	13.9
173.13213	2.6
175.14847	11.7
188.15605	1.4
189.16367	7.0
199.09613	2.2
199.11288	1.0
199.14883	1.1
217.10555	18.4
217.12157	1.6
217.15950	3.6
217.19522	100.0
218.19737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58349	1.8
50.85546	1.8
51.99956	2.2
55.01879	5.2
55.05510	41.6
55.50659	2.4
56.79718	1.8
56.96566	65.8
57.03430	4.4
59.04993	5.6
60.95844	2.4
61.02921	6.0
67.05495	8.9
69.03439	10.8
69.07067	2.6
70.06592	21.5
70.19682	9.2
70.91638	1.8
70.98103	5.0
71.04993	6.3
72.08157	4.4
72.25272	2.2
73.02910	9.3
74.06074	9.4
79.26486	1.9
81.03402	4.3
81.07043	2.4
83.04983	74.1
83.08610	2.8
84.04501	2.6
84.08141	11.6
84.96035	5.3
85.01405	2.9
85.02901	13.9
85.06539	6.0
86.06057	2.4
87.04465	6.6
89.02404	4.1
89.06025	12.8
93.03372	3.2
95.04967	6.1
97.02886	11.4
98.97585	40.7
99.04467	8.8
101.00878	18.6
101.06007	23.2
103.00665	4.8
103.02452	5.8
109.02890	3.0
110.97568	5.5
111.04446	99.8
112.07620	4.7
112.99147	26.7
113.00874	3.8
113.06017	7.2
113.07140	2.9
115.00708	2.5
115.02403	11.9
115.08649	2.4
116.07100	21.0
116.98618	20.9
117.04002	6.3
119.01926	35.2
124.95505	3.5
126.81231	2.0
127.00655	5.3
127.02419	3.0
127.03916	4.6
127.07542	12.5
128.98624	5.4
129.03989	2.5
129.05478	19.2
131.00188	20.9
131.01872	12.8
131.05556	2.1
132.95830	2.5
133.01674	3.8
133.03450	18.0
134.99667	7.5
135.05064	4.3
137.02931	3.1
139.02434	2.3
139.03932	2.3
140.05002	7.5
140.98581	8.5
142.22754	2.0
142.96550	2.4
143.00174	2.7
143.01859	4.9
145.01711	9.4
145.03482	21.2
146.99608	2.3
147.04987	6.9
148.03896	4.1
149.01213	8.7
151.04491	4.3
154.08592	4.1
154.47801	2.2
155.01891	3.4
155.07033	100.0
156.97427	10.3
157.01680	8.1
157.03456	10.4
157.04532	2.9
157.93254	2.0
158.08145	10.0
158.09247	2.3
158.99686	19.0
159.05017	4.7
161.01369	4.5
161.02950	10.4
163.02704	4.6
163.04396	3.7
164.16547	2.0
171.01370	3.7
171.05009	5.5
171.06534	5.0
173.02956	6.6
173.06683	4.3
173.08098	63.1
173.12866	3.8
174.98445	10.6
175.02809	23.7
175.04535	14.2
177.00677	14.6
177.06161	2.7
185.02966	7.6
187.02924	3.7
187.04590	5.0
187.08165	4.9
189.02310	3.3
189.06119	3.1
191.02304	2.2
193.00169	5.0
193.03859	5.6
198.98578	5.5
199.02789	3.0
199.04514	3.8
199.09619	3.7
203.03987	5.2
205.03922	5.2
206.04489	3.2
212.05222	2.3
216.99631	12.0
217.03729	4.1
217.06989	66.4
217.10738	41.8
217.12955	13.9
217.15085	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	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.05514	20.2
57.03422	1.6
57.07061	5.4
62.25846	1.3
62.62617	1.3
65.03948	1.6
67.05505	50.4
69.03426	2.8
69.07074	13.8
69.24107	14.2
71.04992	8.7
71.08595	1.3
74.09744	1.5
79.05486	12.6
81.07059	100.0
83.04978	2.5
83.08621	7.5
84.01906	1.2
85.06535	5.2
91.05486	12.7
93.07050	12.8
95.04980	2.7
95.08607	73.8
97.06517	2.3
97.10159	6.2
105.07040	17.1
107.08585	10.9
109.06470	1.7
109.10170	9.7
117.07008	2.8
119.08601	16.9
121.10129	6.4
123.08045	4.3
130.07759	1.7
131.08578	12.8
132.95836	4.3
133.06450	1.3
133.10138	12.5
135.11700	14.2
137.13257	89.9
143.08566	3.1
144.09389	1.8
145.10141	16.9
150.96890	5.9
157.10097	2.0
158.10788	1.3
159.08005	2.1
159.11697	22.2
161.13240	12.1
169.10127	1.8
172.12497	2.4
173.09651	1.3
173.13290	11.6
179.14275	8.2
187.11174	1.4
187.14798	4.6
188.02446	1.3
191.97156	3.3
197.09648	2.0
197.15390	1.9
215.07076	2.2
215.10614	4.4
215.14330	7.6
215.17981	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	215.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.99556	2.8
56.96569	2.9
61.02901	4.3
69.03431	7.3
70.06583	5.6
71.33089	4.6
73.38541	3.5
74.09698	3.7
85.02884	4.1
86.06083	4.0
87.21538	3.7
98.97612	5.0
98.98464	4.6
101.00869	11.3
110.01230	3.7
110.97572	3.1
119.01916	21.6
128.07080	4.3
131.01877	5.0
137.02954	3.9
140.99030	3.5
143.01926	4.8
145.03413	4.9
154.94127	5.6
155.01880	4.1
161.02975	3.5
169.68822	3.3
171.01471	3.4
172.95145	4.4
173.02898	6.8
187.00804	5.6
190.96324	3.3
214.84169	5.9
214.99626	6.3
215.01660	100.0
215.05165	31.3
215.13962	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	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01874	2.6
55.05511	25.9
57.07073	4.3
60.90432	2.0
64.76162	1.8
67.05161	3.4
67.05504	37.8
69.03438	3.0
69.07069	19.4
70.60180	2.2
71.04996	9.7
79.05497	18.5
81.07056	66.3
83.04970	9.2
83.08618	16.5
85.02931	4.3
85.06534	9.5
91.05482	21.4
93.07050	28.2
93.61323	2.0
95.08611	100.0
97.06537	21.9
97.10176	6.1
99.08086	5.2
105.07030	37.6
107.08582	14.0
109.06506	4.2
109.10155	10.3
111.08069	3.3
111.42027	2.1
115.05418	3.1
115.07578	1.8
117.07028	6.3
117.89476	2.1
119.08582	47.4
121.10141	17.1
123.08082	6.9
128.06213	3.1
129.07033	5.9
130.07745	2.1
131.08562	17.3
132.95825	7.7
133.10143	33.6
135.11693	17.7
137.09547	4.8
137.13251	16.7
141.06946	3.3
143.08580	7.4
145.06534	2.2
145.10127	29.2
150.96877	11.8
155.08562	3.6
156.09337	4.7
157.10123	7.1
158.10980	3.0
159.08057	2.7
159.11726	25.3
161.13264	67.3
169.10173	7.6
171.11674	8.7
172.12425	3.7
173.09615	5.1
173.13245	16.7
179.14320	34.3
182.11006	2.7
186.13989	2.2
187.11206	5.5
187.14824	6.0
191.97189	5.0
197.09720	2.5
197.11630	2.0
197.13260	7.9
197.15190	3.7
215.07062	4.9
215.10712	12.3
215.14386	22.0
215.17943	49.8
215.19879	3.6
217.08490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.81736	2.0
53.03934	2.8
55.01856	2.6
55.05512	28.4
57.03412	2.8
57.07075	9.1
67.05505	11.8
69.03411	3.4
69.07067	100.0
69.26762	17.6
71.04987	4.8
78.04711	2.4
79.05481	8.1
81.07063	24.3
83.04984	4.8
83.08624	9.6
85.06528	9.2
88.07616	2.2
91.05466	2.8
93.07053	13.2
95.08607	36.2
96.58153	1.9
97.06530	9.3
97.10170	13.8
98.97562	2.5
99.08070	6.5
103.05434	3.2
105.07002	4.9
107.04968	17.4
107.08595	23.5
109.10187	11.0
111.08083	5.8
111.11709	16.8
113.09570	2.7
119.08588	3.7
121.10155	25.7
123.11694	3.7
125.09608	6.8
135.08057	3.5
135.11678	14.9
137.13277	12.8
139.11185	14.2
143.08539	3.0
149.13239	4.8
151.14841	2.0
157.10078	4.5
163.07559	5.8
167.07047	24.7
171.11684	4.1
177.15265	1.6
177.16446	17.9
195.10175	3.7
195.17421	5.1
200.08049	1.7
213.09132	3.9
213.12830	4.4
213.16434	11.9
213.18228	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.29171	1.6
53.03936	2.4
55.01862	3.7
55.05259	2.5
55.05511	40.5
56.69335	1.7
56.96547	2.0
57.03423	3.4
57.07081	10.0
59.04978	7.4
67.05504	19.2
69.07071	91.9
71.04993	13.5
71.08616	2.3
71.61314	3.1
73.06551	2.6
79.05493	14.0
81.03393	1.7
81.06574	2.8
81.07058	57.0
83.04987	10.2
83.08617	21.6
85.02890	2.4
85.06062	2.5
85.06541	37.1
91.05463	6.3
93.07044	32.5
93.08182	1.9
95.04968	3.7
95.08607	100.0
97.06512	7.7
97.10167	22.9
98.97598	2.2
99.08109	24.4
102.61066	1.7
105.07007	6.9
107.04925	7.1
107.08598	57.1
109.10162	29.3
111.08060	6.2
111.11730	12.0
113.09647	13.4
119.08581	8.7
121.09309	3.8
121.10148	69.8
123.11662	10.3
125.06005	2.0
125.09621	10.6
127.11165	3.3
128.06204	3.2
129.06987	4.9
132.01646	1.8
135.08076	1.8
135.11699	32.1
137.13269	32.2
139.11195	16.4
141.07051	2.0
142.07806	3.7
143.08546	19.4
145.10130	1.9
149.13223	7.9
151.03783	2.1
151.14790	3.3
153.12706	8.0
156.09282	4.3
157.06563	2.4
157.10121	12.9
159.11739	2.0
167.07062	14.8
169.10100	3.5
171.11707	15.4
177.16389	79.5
183.11694	2.0
184.12358	1.7
185.09546	3.5
185.13292	4.2
195.17459	18.1
198.14195	2.1
213.09125	5.9
213.12732	5.4
213.16420	46.8
213.18488	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03937	2.1
55.01865	5.2
55.05257	1.5
55.05510	20.5
56.96550	2.1
57.03428	1.8
57.07061	4.8
57.78022	1.3
58.39919	1.5
63.39783	1.3
67.05218	1.4
67.05507	15.0
69.03405	2.7
69.07065	24.0
69.41285	8.4
71.04999	15.4
73.31316	1.2
79.05486	15.3
81.07053	35.4
83.04939	2.0
83.08615	15.0
85.06544	13.0
91.05482	8.4
93.07041	32.0
95.04966	2.9
95.08602	57.6
97.02901	1.7
97.06518	5.4
97.10165	14.2
98.97576	6.0
99.07475	2.1
99.08092	34.5
105.07021	7.2
107.04951	6.6
107.08592	50.3
107.18466	1.2
109.06505	2.0
109.10146	14.0
111.07445	2.0
111.08086	19.1
111.11671	1.8
113.09623	7.1
115.07657	1.7
116.98604	1.8
117.07014	4.3
119.06014	1.3
119.08556	2.6
120.06435	2.1
121.06469	3.0
121.10141	69.3
123.08072	2.4
123.11709	2.2
124.05967	1.5
125.05876	1.5
125.09612	9.1
129.06969	1.9
131.08554	3.8
133.10117	4.0
135.08061	2.9
135.11691	23.4
137.13258	11.9
139.11180	2.3
140.54700	1.6
142.07738	2.6
147.11732	1.6
149.09608	4.0
149.13254	10.2
153.09152	1.6
157.10107	3.4
158.99648	1.7
159.11688	6.6
163.07481	1.9
167.07033	8.6
171.11635	3.1
177.00697	1.5
177.09106	4.2
177.12917	7.1
177.16385	100.0
178.28758	1.5
184.51433	1.5
185.09602	3.1
195.10156	3.1
195.13766	2.1
195.17438	15.2
213.09193	3.1
213.11066	2.5
213.16554	2.3
213.18475	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	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23776	2.5
53.03937	7.3
55.01866	5.1
55.05516	24.7
56.96550	10.9
57.03427	7.2
57.07072	5.3
60.44014	2.3
67.05167	3.6
67.05506	60.7
67.83768	2.4
69.07066	29.3
70.06560	2.6
71.01353	3.2
71.05008	5.1
79.05493	42.8
81.03405	5.2
81.07056	89.6
83.04969	11.3
83.08622	22.1
85.06526	6.5
88.07623	4.8
91.05496	32.4
93.07047	60.2
95.04984	5.1
95.08611	23.7
97.06528	15.3
98.97575	19.0
99.08066	5.3
105.07033	17.1
107.04955	10.1
107.08592	42.2
109.02942	3.3
109.06535	3.5
109.10135	8.0
110.97561	2.5
111.08083	9.4
116.98617	8.4
117.07042	15.2
119.08578	22.2
121.10142	18.0
123.08064	3.3
123.11732	5.7
127.03930	6.7
128.06223	6.0
129.06981	13.0
131.08585	17.1
133.10118	14.7
134.99635	3.0
135.08038	6.6
135.11702	19.1
141.06992	3.7
142.07761	11.4
143.08565	40.2
145.10110	17.4
147.11681	5.8
149.13260	27.6
151.11113	2.9
156.09348	11.2
157.10136	36.0
158.99687	3.2
159.11656	15.8
163.05424	2.5
163.07596	2.7
167.07042	12.9
167.08418	4.8
169.10184	3.7
170.10861	5.2
171.11697	32.9
177.12752	11.3
183.11696	3.7
185.09625	2.6
185.13203	7.5
195.11945	2.7
195.13840	8.5
213.05505	6.0
213.09332	12.3
213.10881	3.8
213.12753	15.8
213.16386	100.0
216.97942	2.5
217.03792	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	213.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01873	0.9
55.05514	1.1
56.96572	2.2
57.03441	0.9
57.07087	0.9
60.57387	0.3
61.02925	0.4
65.03938	0.8
67.05505	2.1
68.60898	0.4
69.03437	1.2
69.07084	0.9
70.06594	0.8
70.71785	0.8
70.72134	0.6
71.04996	1.4
72.08159	1.0
73.02916	1.2
77.03948	0.4
78.04723	2.4
79.05498	11.0
81.03433	0.8
81.07071	2.3
83.04978	0.8
83.08640	0.5
85.02910	0.8
85.06557	0.7
86.09702	0.9
88.07640	0.7
91.05482	6.0
93.03413	0.4
93.07043	4.1
94.04174	0.3
95.04984	4.3
95.08608	1.6
97.02921	1.1
97.06554	1.1
98.97591	3.2
99.04495	0.7
99.40578	0.4
103.05476	9.8
105.04533	0.8
105.07035	6.1
105.07674	0.6
106.04198	2.0
107.04961	67.4
107.08601	4.1
109.02873	0.6
109.06531	0.9
109.10157	0.8
110.03665	1.1
111.04476	0.7
111.08096	0.8
115.05460	3.9
115.25238	0.4
116.98624	1.5
117.07026	1.5
119.04977	0.9
119.08610	0.6
120.05728	2.1
121.06510	1.4
121.10156	2.4
122.03657	0.7
123.04436	8.4
123.08092	1.2
124.05217	3.9
125.02377	0.8
125.05991	1.7
125.09673	0.4
128.98624	0.7
129.07021	0.8
130.96303	1.1
131.04024	0.4
131.04861	2.2
131.08586	0.7
133.06500	1.6
133.10149	1.0
134.99603	0.4
135.04449	2.9
135.08064	14.4
135.09106	0.8
135.11699	3.2
137.05995	1.2
139.03874	0.8
140.04695	13.6
143.00156	0.6
145.03969	0.8
145.07637	1.2
147.04419	1.2
148.97411	1.5
149.05989	0.7
149.09662	1.7
149.13223	0.5
151.03937	2.3
152.04718	2.8
154.06264	3.0
155.07034	7.2
157.06528	0.9
158.99678	0.6
163.03909	5.7
163.07552	26.7
165.05487	0.9
167.07048	100.0
168.07387	0.6
170.99658	0.5
173.08072	0.7
177.09157	2.5
180.07890	2.4
181.08606	0.9
185.05969	0.6
185.09680	0.6
188.15337	0.5
189.00648	0.7
189.97597	0.7
190.98471	0.4
195.06438	1.2
195.10181	16.6
202.06639	0.4
213.05472	2.7
213.07491	1.5
213.09280	0.8
213.11111	2.9
213.14664	0.5
213.16580	0.4
219.01808	0.4
231.46841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	3.9
55.05523	17.1
56.96551	6.3
57.03424	5.9
57.07061	4.6
60.58541	1.7
65.03923	2.1
67.05507	38.0
69.03428	3.7
69.06767	1.6
69.07078	17.8
69.31998	1.8
71.01347	2.0
71.04651	3.5
71.04995	4.4
74.70500	1.6
79.05491	25.0
81.03434	3.6
81.07058	51.8
83.04983	9.8
83.08608	17.6
85.02915	7.3
85.06536	2.9
85.10185	1.7
88.07624	4.2
91.05481	21.2
93.07045	35.2
95.04955	3.9
95.08602	20.9
97.02905	1.7
97.06500	7.8
97.10178	1.9
98.97607	2.6
99.04462	2.3
99.08123	2.2
105.07016	9.4
107.04938	6.0
107.08588	15.8
109.02831	1.6
109.06499	3.3
109.10159	4.7
111.04436	2.4
111.08064	4.7
113.09634	3.3
115.05501	1.9
116.98555	1.9
117.07000	9.5
119.08585	13.8
121.06546	1.9
121.10139	12.0
123.11711	3.0
128.06247	8.3
129.07013	9.8
131.08589	15.9
133.10124	9.0
135.08086	2.1
135.11694	7.8
141.06992	3.5
142.07776	9.8
143.08554	38.5
145.10109	6.4
148.97345	2.5
149.13257	16.1
151.03931	2.1
151.11205	1.9
155.08565	3.1
156.09343	6.6
157.10124	28.1
158.10934	1.7
159.11703	13.7
160.59694	1.4
163.07547	2.8
165.06993	2.3
167.07100	9.3
167.08347	2.2
169.10121	6.4
170.10930	4.6
171.08104	2.2
171.11699	25.3
172.06485	1.5
172.12323	1.7
177.12773	2.9
180.09331	2.0
183.11700	4.2
184.12425	2.8
185.09657	3.8
185.13208	6.7
195.13805	4.7
197.02950	1.6
198.10477	2.3
198.14085	3.7
213.05551	3.7
213.09404	8.0
213.11009	2.8
213.12749	12.7
213.16382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01858	1.1
55.05505	1.3
67.05482	1.9
69.03412	0.6
69.07055	1.5
69.38496	1.0
69.38902	3.5
71.04986	0.7
71.44525	0.5
71.51778	0.5
75.86478	0.6
78.04691	2.5
79.05063	0.5
79.05496	8.1
81.03426	0.6
81.07044	2.6
83.08629	0.7
85.06515	0.8
91.05466	4.7
93.07035	2.5
95.04953	2.6
95.08581	1.7
97.06553	1.0
98.97583	1.5
103.05467	7.9
105.07027	5.8
106.04172	1.5
107.04954	55.7
107.08576	1.8
109.06496	0.7
109.10129	0.7
115.05480	3.5
117.06998	1.4
120.05729	1.8
121.02869	0.6
121.06480	1.0
121.10152	1.4
123.04433	6.5
124.05193	2.2
125.04967	1.2
125.05965	1.6
131.04909	2.1
131.08551	0.9
133.06496	0.8
134.03619	0.5
135.04405	0.8
135.08044	14.1
135.11732	1.1
137.05969	1.2
142.53061	0.5
143.08612	1.1
145.07582	1.3
147.04382	0.8
148.05194	0.6
149.05930	0.7
149.09656	0.6
151.03902	1.6
152.04666	2.2
153.08041	1.0
154.06239	2.6
157.10153	1.3
163.07539	26.8
167.07037	100.0
168.07475	0.7
169.07784	0.6
171.11690	0.9
177.00774	0.7
177.16359	2.9
179.06998	0.8
180.07784	3.1
181.07469	4.3
185.09648	1.4
195.10193	15.2
213.09131	1.7
213.11189	2.1
213.12968	0.8
213.16357	2.4
213.18582	0.6
213.20396	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	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	3.1
55.05260	0.5
55.05509	9.5
56.96552	2.3
57.03426	1.3
57.07058	1.2
59.04989	0.6
65.03921	0.6
67.05500	7.5
67.84624	0.5
69.03426	3.0
69.07059	5.6
70.07391	0.6
71.04991	5.5
71.08616	0.6
71.27782	0.9
72.08134	1.1
73.02896	0.6
78.04700	2.1
78.09467	0.4
79.05492	15.9
81.03419	1.7
81.07049	7.5
83.04961	2.0
83.08618	15.1
84.05249	0.7
85.02903	1.5
85.06526	2.3
86.09699	1.9
87.04469	1.1
88.07619	1.5
89.36458	0.5
91.05476	9.7
93.07043	10.3
95.04975	4.2
95.08607	7.3
96.08945	0.5
97.02892	1.5
97.06519	4.6
97.10175	0.7
98.97585	4.6
99.04442	1.4
99.08121	0.6
103.05476	8.0
105.04491	0.8
105.07033	7.8
106.04161	1.4
107.04953	60.0
107.08596	5.5
108.08908	0.6
109.02829	0.5
109.06511	2.0
109.10152	3.6
110.10472	0.5
110.97569	0.7
111.04454	1.1
111.08071	6.0
111.10815	0.8
113.06016	3.1
113.09619	0.6
115.03909	0.6
115.05452	4.6
116.98619	2.5
117.07028	2.7
119.04956	2.6
119.08590	3.2
120.05744	2.5
121.06516	3.3
121.10127	3.4
122.03610	1.0
123.04440	7.0
123.08071	1.7
123.11720	0.9
124.05257	3.3
124.07569	0.6
125.05074	0.8
125.05975	3.6
125.07941	0.7
125.09610	1.1
127.03860	0.6
128.06219	1.4
129.06998	1.8
129.09155	0.7
130.96255	0.9
131.04919	2.0
131.08559	1.5
133.06467	0.9
133.10143	2.1
135.04364	0.8
135.08054	15.9
135.11670	7.8
137.06033	1.3
137.09575	1.4
139.03929	1.0
139.07547	2.3
139.11208	0.7
140.04721	1.2
141.05496	0.8
141.06941	0.6
142.07767	1.9
143.08575	3.2
145.07600	1.4
145.10141	1.0
147.04410	2.3
147.11653	0.9
148.97327	0.9
149.05977	0.7
149.09625	1.2
149.13286	3.5
151.03903	3.7
151.07515	1.0
151.11205	0.7
152.04691	2.0
152.06068	0.6
153.05426	1.0
153.09131	1.1
153.12717	1.7
154.06233	2.7
155.07025	0.7
155.08540	0.8
157.06456	1.5
157.08598	2.3
157.10123	4.0
158.99628	1.5
159.11691	2.0
163.07539	27.4
165.05632	1.0
165.06924	0.9
167.07043	100.0
167.14256	0.8
168.07423	1.7
169.05028	0.8
169.08208	0.9
169.10083	0.7
170.10902	1.0
171.08051	1.4
171.11713	2.1
175.09659	4.4
177.00714	0.8
177.09081	0.7
177.12776	3.4
177.16423	0.8
179.07062	0.8
180.07835	4.1
181.07529	2.9
183.07993	0.7
185.07153	2.5
185.09596	1.8
185.13228	1.6
195.06493	1.0
195.08293	1.2
195.10170	17.9
195.11676	1.2
195.13608	3.0
195.17502	0.5
198.10381	0.9
213.07098	0.8
213.09131	3.4
213.11227	13.5
213.12831	3.0
213.14656	0.9
213.16481	4.4
213.18416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03993	1.7
54.12512	0.5
55.01913	2.0
55.05556	1.6
56.96606	2.2
57.03471	1.1
57.07125	0.7
59.05035	0.5
63.00051	0.8
65.03959	0.6
67.05509	4.0
69.03473	1.5
69.07108	1.8
69.46271	4.0
71.04992	2.4
73.02957	0.7
78.04764	2.0
79.05494	12.1
81.03445	1.1
81.07060	4.5
83.05017	1.2
83.08659	0.7
85.02952	1.5
85.06577	1.0
88.07661	1.1
89.56665	0.5
91.05480	9.2
93.07047	6.1
95.04955	3.2
95.08634	2.6
97.02927	1.8
97.06584	1.8
98.97584	4.4
99.04510	1.6
103.05465	8.4
105.03456	0.7
105.07029	10.3
105.07648	0.7
106.04227	1.4
107.04956	61.8
107.08598	12.6
108.05280	0.5
109.02882	0.8
109.06584	1.7
109.10228	0.9
110.97581	0.9
111.04481	1.0
111.08134	1.6
115.05424	3.8
116.98658	2.7
117.07045	2.6
119.04982	1.3
119.08565	4.5
120.05740	2.0
121.06534	2.1
121.10153	7.8
123.04420	7.3
123.05161	0.8
123.08092	1.3
124.05243	3.4
125.06004	3.0
125.09664	0.9
128.06239	0.8
128.98642	0.5
129.07040	0.7
131.04948	2.7
131.08565	2.9
133.06601	0.5
133.10135	1.4
134.99695	1.3
135.04434	1.5
135.08057	19.0
135.11696	3.7
137.06004	1.6
137.09607	0.9
139.03943	1.3
139.07600	1.1
140.04704	1.4
141.05482	0.7
143.08627	0.6
145.07645	1.3
145.10094	0.6
147.04337	0.8
147.08008	2.3
148.05133	0.5
148.97357	1.0
149.05994	1.4
149.09628	6.3
149.13234	0.9
151.03951	3.0
151.07584	0.9
152.04674	2.7
153.05457	0.5
153.09116	2.2
153.12761	0.7
154.06242	2.9
157.10095	0.8
158.99657	1.5
159.08009	1.1
159.11763	1.0
163.03888	0.7
163.07544	28.3
165.05486	2.1
165.09100	1.5
167.03369	1.8
167.07042	100.0
168.07387	0.6
177.00681	1.1
177.09105	6.2
177.12668	0.6
180.07808	2.7
181.08698	0.7
183.06725	0.8
185.09605	0.8
195.06499	0.9
195.08331	1.2
195.10167	18.8
195.13786	1.0
197.01323	0.6
201.05948	0.7
201.22878	0.5
213.05499	0.8
213.09161	1.6
213.11157	21.8
213.16374	0.9
217.75459	0.5
233.05072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	3.1
55.05260	0.5
55.05509	9.5
56.96552	2.3
57.03426	1.3
57.07058	1.2
59.04989	0.6
65.03921	0.6
67.05500	7.5
67.84624	0.5
69.03426	3.0
69.07059	5.6
70.07391	0.6
71.04991	5.5
71.08616	0.6
71.27782	0.9
72.08134	1.1
73.02896	0.6
78.04700	2.1
78.09467	0.4
79.05492	15.9
81.03419	1.7
81.07049	7.5
83.04961	2.0
83.08618	15.1
84.05249	0.7
85.02903	1.5
85.06526	2.3
86.09699	1.9
87.04469	1.1
88.07619	1.5
89.36458	0.5
91.05476	9.7
93.07043	10.3
95.04975	4.2
95.08607	7.3
96.08945	0.5
97.02892	1.5
97.06519	4.6
97.10175	0.7
98.97585	4.6
99.04442	1.4
99.08121	0.6
103.05476	8.0
105.04491	0.8
105.07033	7.8
106.04161	1.4
107.04953	60.0
107.08596	5.5
108.08908	0.6
109.02829	0.5
109.06511	2.0
109.10152	3.6
110.10472	0.5
110.97569	0.7
111.04454	1.1
111.08071	6.0
111.10815	0.8
113.06016	3.1
113.09619	0.6
115.03909	0.6
115.05452	4.6
116.98619	2.5
117.07028	2.7
119.04956	2.6
119.08590	3.2
120.05744	2.5
121.06516	3.3
121.10127	3.4
122.03610	1.0
123.04440	7.0
123.08071	1.7
123.11720	0.9
124.05257	3.3
124.07569	0.6
125.05074	0.8
125.05975	3.6
125.07941	0.7
125.09610	1.1
127.03860	0.6
128.06219	1.4
129.06998	1.8
129.09155	0.7
130.96255	0.9
131.04919	2.0
131.08559	1.5
133.06467	0.9
133.10143	2.1
135.04364	0.8
135.08054	15.9
135.11670	7.8
137.06033	1.3
137.09575	1.4
139.03929	1.0
139.07547	2.3
139.11208	0.7
140.04721	1.2
141.05496	0.8
141.06941	0.6
142.07767	1.9
143.08575	3.2
145.07600	1.4
145.10141	1.0
147.04410	2.3
147.11653	0.9
148.97327	0.9
149.05977	0.7
149.09625	1.2
149.13286	3.5
151.03903	3.7
151.07515	1.0
151.11205	0.7
152.04691	2.0
152.06068	0.6
153.05426	1.0
153.09131	1.1
153.12717	1.7
154.06233	2.7
155.07025	0.7
155.08540	0.8
157.06456	1.5
157.08598	2.3
157.10123	4.0
158.99628	1.5
159.11691	2.0
163.07539	27.4
165.05632	1.0
165.06924	0.9
167.07043	100.0
167.14256	0.8
168.07423	1.7
169.05028	0.8
169.08208	0.9
169.10083	0.7
170.10902	1.0
171.08051	1.4
171.11713	2.1
175.09659	4.4
177.00714	0.8
177.09081	0.7
177.12776	3.4
177.16423	0.8
179.07062	0.8
180.07835	4.1
181.07529	2.9
183.07993	0.7
185.07153	2.5
185.09596	1.8
185.13228	1.6
195.06493	1.0
195.08293	1.2
195.10170	17.9
195.11676	1.2
195.13608	3.0
195.17502	0.5
198.10381	0.9
213.07098	0.8
213.09131	3.4
213.11227	13.5
213.12831	3.0
213.14656	0.9
213.16481	4.4
213.18416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03952	1.4
54.77603	0.4
55.01866	1.1
55.05513	0.7
56.27640	0.3
56.96562	1.1
57.03432	0.7
58.17540	0.3
58.17836	0.3
65.03949	0.5
67.05503	0.9
69.03441	0.6
69.67294	1.4
69.67720	0.9
71.04983	0.4
76.71035	0.3
77.03928	0.7
78.04712	2.5
78.13394	0.3
79.05494	9.2
79.35224	0.3
81.03413	0.5
81.07061	1.2
85.02901	0.5
88.07629	0.4
91.05486	4.8
93.03426	0.5
93.07031	0.9
95.04971	3.5
97.02859	0.6
98.97574	2.5
103.05468	9.5
105.03440	0.6
105.07038	5.5
106.04169	1.5
107.04952	58.8
107.08606	1.3
109.06543	0.9
111.04461	0.7
111.08076	0.5
115.05458	3.7
116.98623	0.9
117.07049	1.8
117.07841	0.4
119.08596	0.4
119.75772	0.4
120.05728	2.5
121.06524	0.5
121.10152	0.9
122.03674	0.5
123.04430	7.1
123.08064	0.7
124.05229	2.8
125.02372	0.7
125.05991	1.2
125.09624	0.5
129.06958	0.6
131.04918	2.1
131.08531	0.4
133.02847	0.5
133.06465	0.7
135.04457	1.9
135.08054	15.6
135.11655	0.5
137.05971	1.7
139.03906	0.8
139.07558	0.6
140.04692	7.2
145.03915	0.4
145.07620	1.6
147.04428	1.4
148.97385	0.6
149.06018	1.1
149.09662	0.7
149.13248	0.5
151.03922	1.8
152.04631	2.2
154.06241	1.9
155.07042	3.8
158.99675	1.0
163.03914	3.0
163.07542	25.6
165.05467	0.6
167.07037	100.0
168.07372	0.7
177.00682	0.4
177.09131	0.9
180.07802	2.9
181.08557	0.4
195.06509	0.7
195.10161	15.5
213.05475	0.6
213.07455	0.4
213.11186	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	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
50.78674	0.5
53.03907	0.9
55.01825	3.3
55.05489	0.8
56.96515	9.6
57.03388	6.0
61.02924	4.2
65.32638	0.5
67.05463	1.2
68.04944	0.7
69.03428	6.4
70.06563	0.7
71.04941	1.7
71.60524	0.9
71.95214	0.6
73.02920	10.6
79.05457	0.6
79.73072	0.5
80.04994	0.7
81.03413	3.5
83.00767	0.6
83.04940	1.1
84.08084	1.4
84.95997	1.2
85.01385	1.0
85.02905	13.7
86.06065	0.6
87.04440	1.0
89.00770	0.9
91.05489	2.8
92.05788	0.5
94.06541	0.6
95.00745	0.9
95.04917	1.1
96.08085	0.6
97.02893	10.2
98.03188	0.8
98.97588	19.9
99.04449	1.2
100.02427	1.6
101.00817	3.4
103.02457	2.9
104.01224	1.4
107.04923	0.7
108.04443	1.5
109.02870	3.1
110.01262	4.0
110.05941	0.7
110.97578	8.3
111.04424	0.8
112.07585	2.8
112.99107	0.8
113.00830	1.2
114.03982	0.7
115.02390	1.1
115.03861	0.9
116.01237	0.9
116.97924	0.8
116.98625	7.7
117.02013	0.8
117.03955	1.0
118.03447	0.9
119.01866	10.9
119.04900	2.1
120.01945	0.6
120.08103	0.8
121.01665	0.7
121.03445	1.2
122.01227	0.8
122.06033	1.3
123.04396	0.8
123.06779	0.6
123.78255	0.5
124.07548	1.7
124.99135	0.6
125.01786	0.8
126.02505	0.5
126.96929	0.5
127.03923	2.8
128.02325	2.8
128.97797	0.8
128.98616	8.2
129.00220	0.8
130.40184	0.5
131.00137	1.0
131.01868	4.7
133.01620	1.2
133.03465	1.1
134.02298	0.8
134.06013	14.8
134.99651	2.5
135.03197	0.6
135.05037	1.0
136.07564	3.3
137.01758	1.6
137.02834	0.9
137.05980	4.3
137.08327	1.7
138.05414	0.7
138.09059	0.6
140.02341	3.1
140.04970	0.8
140.98596	0.9
142.03481	0.5
143.00131	2.0
143.01866	5.0
144.02507	0.7
144.03658	0.5
144.04976	0.7
145.01666	0.7
145.03418	3.2
145.04889	1.1
146.02332	2.8
146.03415	0.5
146.99635	4.8
147.01341	3.1
147.03261	0.8
147.04370	4.0
147.05603	0.8
148.07581	4.2
149.02824	1.6
150.05484	2.4
152.02232	2.8
152.03418	1.3
152.07069	28.0
152.48763	0.5
152.98502	0.7
153.05580	0.7
154.03571	0.7
155.02806	1.8
155.04678	0.7
157.03392	1.2
157.97583	0.6
158.06625	3.9
158.99701	4.4
159.37076	0.5
161.01219	1.7
161.02870	8.4
162.03104	0.6
162.99188	0.6
163.02684	0.9
163.04417	1.4
165.02461	0.8
166.04979	1.2
166.08640	30.3
166.53632	0.7
167.06926	1.0
168.07413	1.2
170.03098	3.7
170.05130	0.7
170.06606	0.9
170.91357	0.9
170.99661	5.6
171.03166	0.6
173.01309	1.0
173.02892	2.1
175.04422	0.6
176.07028	6.9
177.00752	5.0
177.04166	0.9
179.07054	1.6
181.20386	0.5
182.03305	2.4
182.04819	0.7
182.99623	1.0
183.05035	0.7
184.04549	0.9
185.02939	1.0
188.07642	2.0
188.92464	2.1
189.00748	8.3
189.02440	1.7
191.03915	2.9
191.54208	0.6
193.93251	0.7
194.08125	100.0
195.05043	1.3
195.08372	0.9
200.04405	2.6
200.06058	0.9
201.00714	2.4
203.02139	0.6
207.01759	1.7
207.03421	1.0
211.93996	0.7
212.07684	3.1
212.09195	53.0
213.00464	0.7
215.04123	0.6
219.01715	3.2
219.05060	0.8
221.04973	1.0
230.08713	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26648	1.4
51.26131	1.2
53.03925	3.1
55.01865	3.9
55.05511	24.9
56.96561	2.6
57.03439	6.6
57.07064	5.2
59.04989	2.7
65.03930	1.6
67.05165	2.7
67.05507	37.7
69.03432	14.5
69.07066	25.9
71.04992	9.9
71.08617	2.5
71.61755	1.1
78.04724	2.6
79.05489	11.3
81.03426	9.9
81.07056	39.6
83.04535	2.1
83.04985	23.7
83.08614	12.8
85.02931	1.7
85.06524	5.4
91.04932	2.3
91.05473	17.8
91.16577	1.2
93.07053	22.5
95.04950	11.5
95.08608	57.2
95.25734	1.2
97.02879	5.4
97.06524	5.6
97.10154	6.4
99.04452	7.0
99.08103	7.5
101.06022	1.3
103.05457	3.5
105.07030	21.4
105.44451	1.2
106.04168	2.2
107.04964	2.2
107.08596	30.5
107.47532	1.5
109.02928	1.8
109.06509	14.8
109.10155	100.0
110.10507	1.3
111.04448	2.1
111.08086	13.5
113.06030	2.1
113.09616	2.5
115.05428	1.8
117.07038	2.3
118.04231	1.8
119.04964	1.8
119.08587	32.7
121.06508	5.7
121.10144	19.0
123.04435	14.7
123.08079	27.4
123.11708	18.5
125.09624	3.7
129.06985	2.9
131.08582	2.7
133.06497	4.2
133.10135	31.5
135.08083	1.9
135.10666	2.8
135.11699	55.4
137.05984	6.9
137.09618	37.5
137.13225	2.2
138.10382	1.9
139.11189	3.1
141.06923	2.2
147.08076	1.3
147.11708	10.6
149.05978	10.2
149.09679	2.1
149.13278	7.7
151.03923	6.6
151.07524	4.8
151.11165	12.1
151.14821	12.7
155.03400	1.5
155.08577	2.9
157.10121	4.5
165.12737	5.0
165.16385	3.0
167.07048	71.2
169.10115	10.5
170.05734	4.3
175.11261	7.0
175.14821	29.7
179.07040	14.0
181.08635	9.5
181.10066	2.5
182.10817	1.8
183.11697	2.1
193.12292	6.6
193.15898	19.6
196.12454	5.1
211.05946	2.8
211.09561	3.4
211.11398	3.1
211.13229	2.2
211.14815	21.3
211.16933	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05510	18.4
57.07059	5.0
59.04997	4.0
65.03953	1.7
67.05505	28.0
69.03420	11.3
69.07068	24.8
70.59000	5.7
71.04980	6.1
71.08628	2.5
73.52379	1.4
79.05505	8.1
81.03411	2.7
81.07056	34.7
83.04987	13.2
83.08629	10.3
85.06538	7.9
91.05486	10.1
93.07043	17.6
95.04966	7.7
95.08602	45.2
97.06528	4.8
97.10173	4.9
99.08080	8.7
103.05450	3.9
105.07021	16.2
107.08599	29.5
108.05730	2.1
109.06515	11.1
109.10152	100.0
111.08109	8.2
113.09658	1.8
119.04946	2.9
119.08578	29.6
121.06496	4.0
121.10163	15.3
123.04430	18.6
123.08072	21.9
123.11718	20.1
125.09634	5.5
133.06506	3.8
133.10132	24.9
135.11684	58.2
137.05997	4.5
137.09618	22.2
138.10329	2.2
139.11176	2.2
147.04390	2.6
147.11705	3.2
149.05963	6.3
149.13261	8.4
151.03914	4.1
151.07527	9.6
151.11179	9.8
151.14812	15.2
153.12700	7.7
160.90451	1.8
165.16388	1.9
167.07043	35.9
167.08429	3.5
169.10161	3.0
175.11299	1.9
175.14839	29.8
179.05629	2.9
179.07050	33.6
180.07814	1.8
181.08551	5.3
193.08624	3.6
193.15871	20.1
211.09616	4.5
211.14795	8.8
211.16933	4.7
233.08095	1.9
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
50.06216	1.1
53.03949	1.9
55.01863	1.3
55.05512	15.8
57.03432	2.6
57.07063	3.3
59.04978	2.9
64.26076	1.1
65.03932	2.4
67.05164	1.8
67.05507	30.4
68.25552	0.9
69.03431	11.7
69.06710	1.6
69.07066	22.1
70.75064	2.2
71.04984	4.0
71.08624	1.7
79.05495	5.7
80.79701	0.9
81.03419	1.3
81.07056	31.0
83.04979	16.8
83.08617	10.0
85.06532	5.5
91.05485	12.9
93.07056	13.3
95.04971	5.2
95.08607	49.3
97.06521	3.1
97.10164	5.2
99.08100	5.7
103.05470	2.3
105.03372	1.0
105.07029	10.6
107.04951	3.2
107.08596	25.0
109.06513	12.8
109.10158	100.0
111.08108	6.4
111.08730	1.1
113.09666	2.1
117.80902	0.9
119.04928	6.2
119.08581	26.2
121.06499	2.3
121.10143	13.8
123.04411	1.5
123.08070	20.1
123.11706	14.7
125.09623	3.5
125.78905	0.9
127.11172	1.4
131.08536	1.0
133.06459	1.0
133.10126	24.0
135.11688	56.7
137.05998	1.1
137.09616	33.4
138.10356	1.2
139.11200	2.0
147.11670	3.7
149.05963	3.9
149.13261	7.2
151.07558	3.5
151.11189	10.1
151.14809	13.2
153.12740	4.0
161.05916	1.0
165.12772	2.0
165.16403	3.0
167.07062	8.8
173.36742	1.0
175.14830	24.2
179.07007	2.4
193.12251	1.4
193.15886	17.7
211.09659	1.3
211.13287	3.5
211.16913	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03927	1.9
55.05503	6.9
56.85167	1.5
56.96553	7.0
57.03443	2.6
57.07067	5.3
59.04970	1.6
62.85713	1.5
63.59505	1.3
67.05502	13.0
69.03426	8.0
69.07072	11.9
71.04993	100.0
71.15031	3.7
79.05489	5.3
81.03418	6.0
81.07063	24.2
83.04982	7.1
83.08618	6.1
85.02920	2.9
88.75478	2.1
91.05482	9.6
93.07040	13.6
95.04969	4.2
95.08602	18.4
97.02881	6.7
97.06525	4.8
97.10183	18.4
99.04445	2.1
99.08083	5.5
105.07047	11.1
107.08597	29.0
109.06541	2.9
109.10149	11.6
111.11710	2.5
115.07531	2.2
119.08587	21.9
121.10112	3.1
123.04403	3.9
123.08095	2.6
123.11712	39.2
123.12537	1.4
125.02357	3.2
127.37780	1.9
133.10135	79.3
135.11691	77.6
137.09660	5.1
141.12741	52.3
142.06062	2.3
147.11708	5.2
155.08521	2.1
157.10254	2.1
165.16414	3.2
167.07089	6.5
167.08472	1.8
169.10228	3.0
175.14822	89.6
178.88393	1.5
179.07123	4.6
183.11789	1.8
193.12257	2.1
193.15898	24.9
205.98729	1.9
211.09628	2.3
211.14822	5.3
211.16954	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.23355	0.9
53.03951	1.4
55.01862	2.1
55.05512	10.9
56.96544	3.2
57.03440	5.6
57.07058	3.8
59.02783	0.8
59.05000	6.3
65.81056	0.8
67.05507	11.7
69.03130	0.8
69.03430	7.8
69.06725	1.4
69.07069	18.9
71.04996	54.9
71.22809	0.9
71.61472	1.2
78.04689	3.7
79.05104	1.0
79.05498	9.3
81.03423	5.0
81.07055	28.1
83.04958	3.0
83.08610	5.6
85.02892	1.5
85.06551	5.6
91.05475	13.4
93.06464	1.6
93.07045	30.7
95.04975	6.3
95.08609	37.8
97.02890	4.8
97.05977	1.3
97.06534	14.6
97.10137	3.3
99.04457	68.5
99.08079	4.1
103.05484	5.1
103.92912	0.8
105.07020	12.0
106.04150	2.7
107.04943	2.0
107.08595	22.6
109.06477	3.9
109.10167	16.3
111.08047	3.4
111.11700	1.3
113.05963	1.1
113.09653	9.5
115.07581	8.1
119.04914	2.2
119.07787	1.3
119.08578	21.7
121.06527	9.3
121.10161	9.3
123.04436	16.4
123.08046	3.7
123.11713	29.3
124.05184	2.4
125.09639	9.1
127.07561	2.1
129.06940	1.1
131.08575	1.1
133.06485	2.2
133.10129	18.5
135.04410	1.0
135.11697	57.8
136.11969	1.1
137.06000	8.0
137.09639	5.7
137.13216	1.8
139.11142	2.7
141.09097	2.5
141.12743	5.5
142.06122	1.1
147.04393	1.6
147.11697	6.3
149.05981	10.4
149.13310	4.7
149.76997	0.9
150.06604	1.1
151.03857	4.0
151.07562	5.5
151.11183	10.1
151.14771	3.6
152.04633	2.7
153.12744	10.0
155.08495	1.5
155.10587	2.1
157.10123	2.0
161.05896	2.3
165.12724	1.1
166.06210	2.0
167.07043	100.0
168.07408	1.2
169.10095	3.4
169.86459	0.9
175.11212	2.0
175.14850	26.0
179.05647	1.1
179.07042	14.9
180.07768	1.1
181.08647	10.8
181.10121	2.1
183.11668	1.3
193.08568	4.0
193.12180	2.8
193.14316	1.3
193.15868	10.5
196.12445	2.2
211.07774	1.2
211.09579	3.0
211.11377	1.3
211.13055	1.3
211.14799	7.3
211.16872	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01857	2.4
55.05512	12.7
57.03423	2.2
57.07071	3.6
59.04987	3.0
64.26099	0.7
65.03918	2.5
67.05505	26.7
69.03120	0.8
69.03436	9.5
69.06711	1.1
69.07069	15.7
70.84995	1.5
70.85367	1.6
71.04991	4.6
71.08614	1.5
79.05492	9.1
81.03410	1.8
81.07057	23.4
83.04476	0.8
83.04978	15.2
83.08626	5.8
85.06542	3.6
91.05478	14.0
91.06053	0.9
93.07047	13.2
94.81283	0.8
95.04967	9.7
95.08607	37.9
97.02907	0.9
97.06522	2.7
97.10168	3.5
99.08086	5.0
103.05481	4.2
105.04536	0.9
105.07034	17.1
107.04960	1.5
107.08594	18.3
109.02885	1.3
109.06517	12.3
109.10157	82.8
110.03647	1.5
111.08062	6.8
113.09660	1.6
115.05373	0.9
118.04157	2.4
118.87814	0.7
119.04955	5.8
119.08578	19.8
121.02885	1.1
121.06511	4.3
121.10144	11.9
123.04431	46.7
123.08069	17.6
123.11716	15.0
125.09631	2.2
127.11189	0.7
133.06477	6.5
133.10130	20.9
135.04367	1.3
135.08150	0.9
135.11691	44.6
137.05957	3.5
137.09615	18.2
138.10370	1.2
139.03958	1.1
139.11185	2.3
147.04430	4.2
147.11691	2.5
149.06012	4.4
149.13272	6.1
150.06734	3.3
151.03899	5.0
151.07550	26.3
151.11177	9.2
151.14830	10.7
153.12764	2.4
161.07106	2.6
162.66528	0.9
165.09099	3.8
165.12755	1.2
165.16376	2.5
167.07037	16.0
167.08397	1.1
175.11206	1.1
175.14835	18.2
176.52119	0.8
179.07036	100.0
180.07658	1.4
181.08546	2.7
193.08626	9.3
193.12280	1.2
193.15894	15.5
211.09666	13.8
211.13077	5.1
211.16937	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.7
54.67509	0.5
55.01888	2.1
55.05509	6.1
55.05740	0.5
55.17706	0.6
56.96609	0.5
57.03434	4.2
57.07095	1.5
58.95417	0.5
59.04996	2.7
63.02389	0.7
65.03934	0.6
67.05505	7.6
69.03451	2.3
69.07067	9.7
69.07396	0.7
69.51321	3.8
69.51706	1.0
71.04994	15.0
73.06563	0.5
77.03967	1.0
78.04713	4.4
78.24735	0.5
79.05497	7.1
79.05905	0.8
81.03433	1.1
81.07062	17.8
83.04995	3.4
83.08616	3.5
85.06532	3.8
91.05482	10.3
93.06467	0.9
93.07044	14.1
93.07598	0.8
95.04971	5.5
95.08608	19.6
95.09231	1.0
97.06527	8.1
97.10178	0.8
99.04476	4.0
99.08075	3.5
103.05470	3.4
105.04498	0.9
105.07030	12.7
106.04159	2.6
107.04990	1.1
107.08592	14.1
109.06516	3.6
109.10158	10.0
109.91997	0.5
111.08111	2.2
111.11716	0.6
113.05994	0.6
113.09669	0.9
115.07578	3.3
119.04949	1.3
119.08591	11.6
121.06509	8.2
121.10140	8.0
121.73713	0.5
122.03659	0.6
123.04430	9.8
123.08076	3.4
123.11713	18.2
124.05231	3.1
125.09655	1.8
127.07574	1.8
129.07051	0.6
131.08563	0.8
133.06509	2.1
133.10139	10.3
135.08047	1.9
135.10661	1.0
135.11696	19.6
137.06027	2.8
137.09619	3.5
137.13284	1.4
139.11160	0.6
141.09116	0.7
141.12737	1.7
145.10092	0.6
147.11691	11.6
147.12784	1.0
149.05989	9.8
149.09694	0.7
149.13312	3.1
151.03937	2.7
151.07524	3.0
151.11143	0.9
152.04689	2.9
153.12778	3.6
155.08562	0.7
155.10677	2.3
157.10149	1.5
161.05983	1.8
165.12779	6.7
166.06282	1.8
167.07040	100.0
168.07397	1.7
169.10107	1.7
175.11223	3.1
175.14847	10.0
179.03404	6.9
179.07057	6.6
180.07776	0.8
181.08620	8.1
181.10120	1.0
188.94771	0.6
193.08595	2.2
193.12225	4.5
193.15871	4.5
196.12477	0.7
211.07748	1.1
211.09680	2.0
211.13300	1.4
211.14874	2.4
211.16905	19.2
211.18997	0.9
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	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03936	5.0
55.01864	6.0
55.05509	13.7
56.96568	3.9
57.03431	5.1
57.07071	5.2
59.04999	3.7
65.03934	1.6
67.05507	23.4
69.03425	12.1
69.07066	20.5
71.05000	13.6
71.61964	2.3
78.04699	3.6
79.05491	13.0
81.03430	12.2
81.07061	47.8
83.04981	11.4
83.08623	9.3
83.26491	1.2
85.02900	3.3
85.06543	29.6
87.04477	2.7
91.05482	17.0
93.07044	29.9
93.34180	1.2
95.04970	7.0
95.08613	27.1
97.02900	7.0
97.06526	4.1
97.10186	2.4
97.99155	1.8
99.04457	3.0
99.08097	11.3
102.22250	1.3
103.05492	4.0
105.03404	1.4
105.07033	15.3
106.04176	4.0
107.04960	2.5
107.08598	36.7
109.06512	5.2
109.10160	53.6
111.08077	5.3
113.06025	3.8
117.07062	1.9
119.08586	23.2
121.06529	7.4
121.10159	7.0
122.03555	1.8
123.04443	16.1
123.08082	2.8
123.11709	38.3
124.05238	1.4
125.02294	1.9
125.09592	1.9
127.03817	1.5
127.11187	4.4
131.08577	3.5
133.06496	4.8
133.10135	15.6
135.11700	67.2
137.05977	3.9
137.09637	5.0
137.13235	2.1
139.11177	1.8
141.07076	1.5
147.04396	1.9
147.11702	8.8
149.05997	10.9
149.13260	13.6
151.03894	2.4
151.07603	3.2
151.11185	55.1
151.14832	3.2
152.04648	2.1
152.66290	1.4
153.12744	40.5
155.08575	2.4
157.10139	1.8
161.05972	1.9
165.05592	1.7
165.12787	5.6
166.06245	2.4
167.07050	100.0
167.14439	1.7
169.10170	3.7
175.11235	1.9
175.14842	18.1
179.07043	13.8
181.08607	9.5
193.08653	1.8
193.12271	6.7
193.15948	3.3
196.12503	1.9
211.07826	1.6
211.09642	3.8
211.11444	1.6
211.13087	3.0
211.14848	5.7
211.16949	20.6
226.06830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01863	3.0
55.05510	21.0
56.70157	1.5
56.96551	3.4
57.07064	4.7
59.04984	2.8
65.03907	1.9
67.05502	34.9
69.03419	12.7
69.07066	22.6
69.80466	8.8
71.04991	9.6
71.08635	2.6
79.05473	9.0
81.03419	2.0
81.07055	35.8
83.04986	24.3
83.08616	10.6
85.06534	8.8
91.05493	10.7
93.07057	18.0
95.04967	9.3
95.08605	51.1
97.02873	1.6
97.06540	3.7
97.10157	6.9
98.46689	1.6
99.08073	9.0
103.05477	3.7
105.07026	18.6
107.08596	31.6
109.06522	13.2
109.10155	100.0
111.07263	1.7
111.08076	8.1
113.09653	3.4
118.04141	2.0
119.04935	1.6
119.08575	30.1
121.06490	4.7
121.10139	19.2
123.04448	14.8
123.08066	23.6
123.11703	16.4
125.09608	5.6
133.10141	30.1
135.11691	68.5
137.05959	4.3
137.09615	26.5
138.10408	2.5
139.11166	4.1
141.07031	1.9
147.04379	2.1
147.11668	4.2
149.05948	4.7
149.13245	9.8
151.03955	2.1
151.07582	7.7
151.11174	12.2
151.14845	15.6
153.12730	7.6
165.16330	1.9
167.07042	31.2
169.10161	4.5
175.14816	32.5
179.07045	28.0
181.08522	3.3
182.10887	2.1
183.11703	1.9
193.08594	4.1
193.15881	19.9
211.09538	2.9
211.14810	8.4
211.16951	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02384	0.6
53.03939	4.4
54.97308	0.4
55.01868	5.3
55.05511	31.3
56.96567	2.8
57.03436	5.6
57.07058	1.8
59.04989	2.3
65.03934	1.9
66.48030	0.5
67.05503	25.5
69.03427	22.0
69.06703	0.8
69.07065	11.2
69.37405	4.7
71.04992	7.0
77.03920	1.0
78.04718	3.2
79.05046	1.0
79.05491	21.4
81.03416	58.0
81.07056	29.3
83.01262	0.6
83.04981	45.0
83.08620	28.5
85.02898	0.7
85.06537	5.9
85.07008	0.8
87.04470	0.6
91.05484	26.3
93.03380	0.5
93.07045	18.3
95.04971	24.0
95.08605	14.5
97.02888	1.8
97.06010	0.5
97.06541	4.1
97.10165	5.7
99.04427	1.0
99.08089	3.0
103.05481	5.2
105.03376	0.7
105.07030	18.4
106.04163	2.1
107.04391	0.5
107.04977	4.3
107.08593	12.2
109.02887	2.9
109.06521	4.7
109.10159	19.4
111.04415	2.0
111.08084	9.1
113.05993	0.6
113.09626	0.9
115.05467	1.5
117.06976	1.1
119.04946	1.9
119.08583	14.4
121.02869	0.5
121.06516	10.6
121.10139	8.4
123.04432	12.8
123.08044	4.1
123.11711	6.0
124.05197	2.8
125.02391	0.5
125.05996	0.8
125.09622	5.6
127.07533	0.9
127.11172	5.0
128.06250	0.7
129.07025	6.8
131.04855	0.6
131.05951	0.7
131.08565	7.6
133.06505	5.8
133.07439	0.8
133.10132	9.6
134.03601	0.8
135.08043	0.6
135.11702	6.6
137.05988	3.6
137.09599	2.9
137.13217	0.5
142.07808	1.1
147.08034	2.2
147.11687	10.8
149.05978	15.4
149.09602	4.0
149.13289	0.9
150.06535	0.5
151.03909	3.1
151.07538	2.1
151.11174	2.3
152.04723	2.8
153.05521	0.6
153.12749	1.7
155.08556	1.2
157.10139	10.9
161.05980	2.0
165.05603	0.7
165.09120	0.9
165.12764	2.8
165.16342	0.6
166.06229	3.5
167.07040	100.0
167.14275	3.6
168.07359	0.9
169.10110	2.5
169.12299	1.0
175.11185	10.7
175.14830	4.4
179.07028	7.5
180.07712	0.9
181.08598	12.8
181.10124	0.8
183.11676	1.1
193.08650	2.6
193.12244	22.6
193.15898	4.5
196.12447	1.3
210.49168	0.6
211.07828	1.0
211.09641	2.8
211.11299	1.3
211.13112	8.6
211.14903	3.4
211.16638	6.8
219.45844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	3.8
55.01868	6.5
55.05515	46.0
56.96557	12.4
57.03425	8.9
57.07066	8.1
60.33918	2.0
67.05502	36.0
69.03432	11.8
69.07063	19.0
70.06586	2.4
71.04971	5.2
71.08620	4.1
71.61424	2.4
78.58203	2.2
79.05494	37.0
81.03417	100.0
81.07054	44.8
83.04485	3.2
83.04976	49.5
83.08624	37.5
84.96030	3.4
85.06528	5.9
91.05479	33.0
93.07045	24.6
95.04962	36.2
95.08615	22.8
97.02883	5.6
97.06504	8.5
97.10166	11.2
97.99136	3.1
98.98415	2.5
99.04456	3.0
99.08067	3.1
105.07021	23.4
107.04961	6.6
107.08586	14.1
109.06508	10.7
109.10143	7.3
111.04446	3.2
111.08083	12.8
119.08584	26.2
121.10145	9.8
122.45002	2.5
123.08089	4.8
123.11688	2.9
125.02384	3.5
125.09650	2.4
129.06990	11.2
131.08565	12.9
133.06488	2.9
133.10104	20.3
137.09625	7.3
137.13277	2.3
141.15822	2.3
147.08049	5.4
147.11693	17.2
149.09619	8.2
149.40854	2.5
151.14793	5.6
153.08893	2.0
155.08537	2.8
157.10107	12.4
165.12743	4.6
167.07050	3.5
169.10106	4.7
172.15686	2.3
175.11180	17.6
175.14783	8.6
178.87285	2.4
179.07201	2.1
189.20341	2.2
193.12228	36.0
193.15924	6.1
205.61429	2.1
211.11421	3.6
211.13271	16.0
211.14917	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02380	0.9
53.03941	3.1
55.01873	4.0
55.05510	22.7
56.96324	0.7
56.96566	6.5
57.03437	7.0
57.07062	1.5
59.04980	0.9
65.03917	1.2
67.05501	19.6
69.03428	8.4
69.07066	10.5
69.51826	4.1
71.04995	5.6
71.08614	0.6
75.37848	0.5
78.04706	4.3
79.05491	20.9
81.03415	49.2
81.07056	26.4
83.04981	26.1
83.08614	17.9
84.96045	0.8
85.02898	2.0
85.06537	3.9
87.04458	0.8
91.05480	24.1
93.03347	0.7
93.07041	19.7
94.11421	0.5
95.04969	20.0
95.08601	16.2
97.02908	2.9
97.06512	3.7
97.10180	4.5
97.99171	1.3
99.04440	2.2
99.08088	1.6
103.05459	6.1
105.03369	0.6
105.04494	1.2
105.07028	18.7
106.04156	2.8
107.04965	5.4
107.08592	8.3
109.02883	0.9
109.06513	6.0
109.10142	7.5
111.04427	1.8
111.08083	7.5
113.06022	1.1
113.09615	0.5
115.05448	1.9
118.04173	1.1
119.04941	2.7
119.08579	12.9
121.02810	0.5
121.05660	0.7
121.06509	11.4
121.10145	5.9
122.03625	0.7
123.04427	17.6
123.07232	0.7
123.08070	3.3
123.11695	4.4
124.05218	2.9
125.02331	1.7
125.05983	0.8
125.09643	4.4
127.11178	1.0
128.06184	0.7
129.07007	6.2
131.04907	0.7
131.08565	7.0
133.06508	5.1
133.10129	8.2
134.03632	1.0
135.08041	1.1
135.11699	4.9
137.05998	4.8
137.09610	5.2
137.13216	0.9
139.11118	0.7
141.06917	1.0
142.06123	1.0
142.07770	1.8
145.10075	1.2
147.04384	1.1
147.08040	1.6
147.11688	9.1
149.01230	0.7
149.05971	14.1
149.09610	5.1
149.13261	1.1
151.03915	3.2
151.06509	0.6
151.07553	6.1
151.11201	1.7
152.04672	1.9
154.07747	0.9
155.08568	2.9
157.10124	7.7
161.05977	2.2
163.14931	0.8
165.05499	1.1
165.07010	1.0
165.09033	1.2
165.12683	3.0
166.06221	3.2
167.07037	100.0
168.07388	1.0
168.09373	1.4
169.10089	5.3
175.11179	9.0
175.14827	3.8
176.11491	0.6
179.03604	0.7
179.07043	19.1
180.07742	1.5
181.08626	12.1
181.10141	2.1
182.11118	1.2
183.06525	0.7
183.11726	1.7
188.04106	0.8
193.04968	0.6
193.08600	3.1
193.10358	1.2
193.12233	20.7
193.15875	2.9
196.08789	0.7
196.12483	2.7
205.98776	0.8
211.05904	0.8
211.07666	1.0
211.09653	4.9
211.11081	0.9
211.13239	8.2
211.14867	10.5
211.16957	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03945	1.9
53.34438	0.3
55.01871	0.6
55.05501	1.8
56.96566	0.4
57.03422	0.6
60.11432	0.4
65.03926	0.6
67.05509	2.4
68.11628	0.3
69.03433	1.0
69.07079	1.9
70.85003	0.7
70.85314	0.4
71.04990	0.6
78.04712	3.8
79.05488	2.4
81.03410	0.6
81.07056	2.2
83.04969	1.6
83.08622	0.9
91.05479	8.9
91.14756	0.4
93.07040	7.4
95.04967	4.6
95.08601	3.4
99.08044	0.5
101.05034	0.4
103.05483	5.7
105.04494	0.9
105.07039	3.4
106.04166	2.2
107.04955	1.4
107.08569	1.6
109.06519	1.4
109.10167	5.3
111.08049	0.5
118.04172	0.8
119.04926	1.0
119.08572	1.4
121.06512	10.6
121.10150	0.9
123.04430	10.0
123.08031	1.3
123.11672	1.1
124.05235	2.2
131.06047	0.5
133.06493	2.9
133.10115	1.7
134.03638	0.7
135.04457	0.5
135.11696	2.7
137.05978	1.3
137.09586	1.2
147.04387	0.5
147.11702	0.6
149.05986	17.4
151.03883	1.9
151.07550	0.5
151.11232	0.7
152.04689	2.4
161.05983	3.6
165.05476	0.6
166.06268	4.4
167.07040	100.0
168.07425	0.7
169.10168	0.5
175.14828	1.3
179.07022	1.5
180.07802	1.4
181.08597	16.7
181.10191	0.8
193.08661	2.3
193.12207	0.5
193.15826	0.9
206.21269	0.4
211.09628	1.9
211.14864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.39063	0.3
53.03947	3.0
55.01864	1.9
55.05499	1.3
56.96564	1.3
57.03430	0.9
57.07082	0.5
65.03937	0.8
67.05505	3.2
69.03431	2.4
69.07078	1.7
69.57828	0.8
69.58247	1.7
71.04990	3.5
73.02908	0.7
77.03926	0.8
78.04720	3.3
79.05492	4.5
81.03412	1.0
81.07063	3.8
83.04964	1.4
83.08626	0.5
84.42422	0.3
85.02901	1.4
85.06525	1.0
91.05479	14.6
93.06458	0.7
93.07046	13.0
95.04967	6.7
95.08595	3.7
97.02909	0.8
97.06520	1.3
98.20796	0.7
98.97587	1.7
99.08115	0.8
103.04781	0.5
103.05471	10.1
105.04493	1.1
105.07030	6.9
106.04195	2.4
107.04961	1.4
107.08609	3.0
109.02924	0.5
109.06496	1.1
109.10166	2.2
111.04415	0.5
111.08072	0.9
113.05995	0.4
113.09644	0.5
115.05450	1.3
116.98640	1.0
117.07037	0.4
118.04173	0.6
119.04955	1.6
119.08581	5.8
121.02847	0.4
121.06506	16.7
121.10114	0.9
121.64297	0.3
122.03661	0.9
123.04436	10.6
123.08070	1.6
123.11725	0.9
124.05221	2.3
125.09610	2.1
128.98634	0.7
131.06036	0.9
131.08551	0.6
133.06473	4.0
133.10126	8.2
134.03630	0.6
135.04301	0.5
135.08078	0.5
135.11699	3.6
137.05986	2.9
137.09634	2.0
139.07520	0.5
147.04308	0.6
147.11697	2.0
149.05983	31.6
151.03909	3.1
151.07535	2.1
151.11198	1.4
152.04738	2.4
154.80783	0.4
158.99611	0.6
161.01199	0.4
161.05998	4.1
163.07574	0.4
165.05550	1.8
165.09090	1.0
165.12822	0.7
166.06253	6.7
167.07039	100.0
168.07454	0.4
175.11206	0.9
175.14819	4.6
179.07022	2.8
180.07816	2.2
181.08598	26.9
193.08533	2.5
193.12274	1.6
193.15912	1.7
201.00740	0.6
211.09656	4.4
211.13010	3.0
211.14804	0.4
211.16930	1.1
211.18726	0.6
215.85017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03936	0.8
55.01866	1.4
55.05528	0.6
65.03929	0.6
67.05501	3.9
68.99802	1.2
69.03413	0.6
71.27573	0.8
71.27901	0.7
72.02368	0.5
75.04448	0.6
79.05487	4.9
81.07027	0.9
91.05480	6.9
93.07046	2.1
95.04974	5.8
95.08602	1.8
97.06541	0.6
103.05473	4.3
105.03384	0.7
105.07030	11.7
106.04144	0.5
107.04986	2.8
107.08633	0.6
108.05697	0.9
109.02894	1.1
109.06519	1.4
109.10140	0.7
110.03681	1.7
111.04452	0.9
115.05456	1.0
118.04166	3.1
119.04939	7.1
121.02868	1.1
121.06523	2.9
122.07306	0.8
123.04429	43.4
123.08075	4.0
124.05162	0.7
131.04907	1.0
132.00359	0.6
133.06497	7.3
134.07271	0.7
135.04422	1.5
135.08057	0.8
136.05237	1.4
137.05981	2.1
137.09613	2.1
147.04422	4.7
149.05952	2.1
150.06764	4.8
151.03957	2.8
151.07542	27.7
161.05927	1.1
161.07106	1.7
165.09116	5.0
166.70628	0.5
167.07054	5.3
179.07033	100.0
180.07628	1.7
181.08768	0.6
193.06876	0.5
193.08604	12.5
211.09651	12.8
212.20041	1.7
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
50.33057	1.7
53.03925	2.8
55.01865	7.1
55.05513	29.4
57.27750	1.5
57.70145	1.7
59.05001	2.7
59.96672	1.6
65.28843	1.7
67.05507	11.2
67.07718	1.6
69.03434	12.6
69.07072	16.8
71.04983	7.3
71.14948	3.3
71.15278	1.9
79.05506	8.7
79.96097	1.7
81.07056	15.8
81.60172	1.5
83.04985	38.7
83.08615	17.3
85.06561	3.0
91.05486	12.2
93.03455	1.6
93.07053	16.5
95.04970	37.5
95.08604	26.4
97.06510	8.6
97.10177	3.2
99.04460	5.0
99.08076	4.5
101.27521	1.7
103.05460	6.2
105.07034	9.8
105.90006	1.6
106.04147	5.1
107.04967	1.9
107.08601	42.7
109.06545	11.5
109.10158	16.9
111.08077	8.1
113.09616	2.5
117.03388	2.3
117.07010	2.4
119.08582	5.2
120.69817	1.5
121.06528	12.3
121.10152	33.3
123.08073	5.3
123.11700	6.2
125.09639	14.4
126.86241	1.5
131.04932	2.7
131.08571	5.8
133.10139	15.2
135.08063	12.1
135.11693	9.0
137.09615	3.8
139.07542	2.9
139.11208	4.6
143.08603	1.7
145.02863	2.0
145.10124	2.8
147.04419	1.9
147.11649	7.5
149.06000	8.1
149.09641	10.8
149.13255	19.2
151.11192	100.0
153.09109	8.9
158.10957	4.0
163.14827	8.2
165.12778	8.0
167.14349	24.2
173.13260	15.9
177.05493	9.1
181.08572	2.0
191.14314	40.6
209.08136	5.8
209.15393	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.13625	3.2
53.03947	6.6
55.01873	23.2
55.05513	28.1
57.03441	4.7
57.07075	6.7
58.01934	3.1
59.05000	6.8
63.16057	2.9
65.03931	8.2
67.05503	19.1
69.03426	21.5
69.07068	21.9
70.88960	9.4
71.04990	13.6
72.51428	2.9
75.04492	3.5
79.05492	23.5
81.03419	14.6
81.07054	37.8
83.04991	37.8
83.08603	17.6
85.02929	3.7
91.05475	33.8
93.03427	4.7
93.07044	44.3
95.04971	27.4
95.08611	49.2
97.06532	14.7
99.04486	3.7
99.08077	8.8
103.05482	14.6
105.07029	22.5
106.04187	18.3
107.04972	5.5
107.08595	75.0
109.06528	48.6
109.10152	32.7
111.08098	12.3
113.38683	3.4
117.03410	3.7
117.07024	5.9
119.08614	16.1
120.05676	3.3
121.06503	39.9
121.10142	63.7
123.08073	16.1
123.11710	12.0
125.06018	8.0
125.09628	14.5
131.04892	10.7
131.08595	11.8
133.10129	54.4
135.08070	23.1
135.11714	9.9
137.09619	21.7
139.11200	5.4
145.02892	5.1
145.10173	9.8
147.04448	8.1
147.11687	20.9
149.05978	23.1
149.09612	24.8
149.13278	38.3
151.07559	5.3
151.11192	100.0
153.05507	8.3
153.09155	9.6
158.10988	4.8
163.11208	6.2
163.14853	13.3
165.12761	92.9
167.14362	11.7
168.07828	3.6
173.13289	25.0
174.37190	3.0
177.05478	21.5
178.09918	9.4
181.08565	19.2
191.07042	8.5
191.14285	63.4
194.09372	9.1
209.08142	17.8
209.11855	17.8
209.15379	80.4
221.70132	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.0
55.01861	4.8
55.05502	7.3
57.07059	6.6
59.04988	2.8
65.03927	3.2
67.05508	11.2
67.67373	1.6
69.03435	13.3
69.07069	18.8
69.88300	2.9
69.88703	7.1
71.04989	9.7
73.38102	1.4
78.04723	1.9
79.05483	10.0
81.03419	3.8
81.07058	21.0
83.04980	13.2
83.08604	5.2
85.02897	1.9
85.53829	1.5
86.97955	1.3
91.05468	16.4
93.03400	6.6
93.07047	20.7
95.04968	11.5
95.08607	29.4
97.06531	9.2
99.08075	4.2
103.05480	4.0
105.07037	10.9
106.04173	12.6
107.04953	3.5
107.08592	43.5
108.05648	1.7
109.06519	74.0
109.10153	19.9
111.08086	6.7
113.09690	2.3
116.81033	1.6
117.03251	1.8
119.08581	5.8
121.06496	21.4
121.10140	35.0
123.08046	12.0
123.11695	5.7
125.05972	3.8
125.09628	10.2
131.04904	3.0
131.08553	10.5
133.10121	23.1
135.08032	27.1
135.11681	7.2
135.56342	1.5
137.06001	1.5
137.09612	2.9
139.07600	2.0
139.11160	4.4
145.10110	5.2
147.11653	11.0
148.05176	2.6
149.05948	15.1
149.09627	14.4
149.13257	20.6
151.11180	100.0
153.09099	8.4
158.10910	3.7
163.11160	1.7
163.14832	11.9
165.12747	22.0
173.13274	16.2
177.05522	10.2
191.07076	2.4
191.14296	65.8
191.16049	3.4
209.08072	7.7
209.13420	3.3
209.15356	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.0
55.01857	3.2
55.05511	7.3
57.03437	3.9
57.07055	2.0
59.04990	2.8
59.18486	0.8
65.03934	3.6
67.05506	8.0
69.03423	3.4
69.07080	5.4
70.35583	0.9
71.04976	3.4
71.52361	0.9
71.52700	0.9
75.04468	2.2
77.03955	1.2
78.04700	2.3
79.05486	11.3
81.03410	2.7
81.07055	22.8
83.04987	8.8
83.08616	5.5
85.02885	2.1
85.06552	1.9
85.10192	0.8
86.29081	0.8
89.03919	2.4
91.05484	16.8
93.03411	8.0
93.07043	14.4
95.04970	34.0
95.08612	9.9
97.06533	27.7
97.10136	1.0
99.04467	6.5
99.08076	1.3
103.05491	4.0
105.03378	1.3
105.04540	1.2
105.07024	11.1
106.04176	20.5
107.04928	2.1
107.08590	16.1
109.06522	100.0
109.10155	19.4
111.08091	4.8
113.09610	0.9
117.03320	1.0
117.07016	2.0
118.04195	1.2
119.04932	1.1
119.08614	4.3
121.06510	19.6
121.10141	19.0
123.04412	1.4
123.08066	7.8
123.11715	3.6
125.05984	5.9
125.09615	3.1
126.01041	1.7
131.08585	5.7
133.10133	24.0
134.03627	3.0
135.04498	1.0
135.08046	11.2
135.11664	1.5
136.05231	0.9
137.05971	3.2
137.09605	2.2
138.06744	1.1
139.07536	2.0
141.45915	0.7
145.10121	1.8
147.04408	2.4
147.08002	1.6
147.11612	2.0
148.05164	2.6
149.05980	20.4
149.09633	4.3
149.13275	5.2
151.03961	1.2
151.07526	2.0
151.11189	4.8
153.05482	1.9
153.07875	1.6
153.09105	27.6
158.10899	2.0
162.06793	0.8
163.07527	3.2
163.14827	4.4
165.05489	1.2
165.12759	16.9
166.06255	2.4
167.14296	4.3
168.07852	2.2
173.13281	9.2
177.05423	6.6
177.09088	1.6
178.09883	5.1
179.07045	2.3
181.08586	9.3
191.14293	14.0
194.09372	4.5
202.98599	0.9
209.08131	4.2
209.11829	6.9
209.15373	29.7
209.27553	0.9
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
53.03952	1.7
55.01877	0.7
55.05516	2.0
57.07074	1.4
59.05003	1.2
65.03948	0.6
67.05500	3.8
69.03430	12.4
69.07071	3.9
71.04976	1.1
71.31416	0.6
79.05474	2.8
81.03416	10.4
81.07058	9.1
83.04975	2.7
83.08627	0.8
91.05475	3.3
93.03423	0.6
93.07046	3.9
95.04966	7.8
95.08605	11.1
97.06527	1.1
99.08090	1.1
103.05463	0.7
105.07024	5.0
106.04169	1.3
106.41724	0.4
107.04980	0.4
107.08598	9.7
107.30123	0.5
109.06522	12.6
109.10151	2.5
110.07287	0.9
111.08078	0.9
117.07072	0.6
119.08588	5.6
121.06512	2.8
121.10139	14.6
123.08068	11.2
123.11716	7.5
125.06001	0.5
125.09568	0.6
131.08548	0.9
133.07629	0.4
133.10127	1.1
135.08026	1.5
135.11694	1.1
136.08826	0.4
137.09631	3.0
137.13289	1.8
145.10114	0.9
147.11671	4.1
149.05986	2.0
149.09616	9.0
149.13263	6.4
151.11177	5.3
158.10867	0.6
163.14792	0.5
165.12755	100.0
166.13087	0.5
173.13268	1.4
177.05444	1.1
181.08604	0.5
191.14265	2.2
204.22652	0.4
209.08078	1.0
209.15369	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03958	2.6
55.01880	2.2
55.05516	8.3
57.03437	0.8
57.07084	2.7
59.05000	1.9
62.94515	0.6
65.03936	1.7
67.05501	6.0
67.05786	0.6
69.03432	12.7
69.07066	6.7
69.52424	5.1
69.52738	0.5
71.05009	2.4
76.04492	0.6
76.13445	0.6
77.03979	0.9
77.70147	0.6
79.05503	3.9
81.03416	11.4
81.07061	11.9
83.04985	11.5
83.08610	4.2
85.02898	0.9
85.06553	1.1
91.05492	7.4
93.03425	2.5
93.07036	7.8
95.04974	18.3
95.08610	10.9
97.06557	2.1
99.04476	1.6
99.08135	2.2
103.05487	2.9
105.07043	6.4
106.04170	3.4
107.04961	1.2
107.08596	14.5
109.06519	14.3
109.10155	5.2
110.07328	0.9
111.08073	2.2
119.04971	1.6
119.08580	7.9
120.38834	0.8
121.06490	6.2
121.10140	17.2
122.07270	0.8
123.08070	13.5
123.11718	9.6
125.09634	3.0
128.48285	0.7
131.08563	1.8
133.07693	0.8
133.10152	3.7
134.03668	0.8
135.08064	3.0
135.11699	1.7
137.09613	4.2
137.13234	2.2
139.07535	0.7
145.10129	1.1
147.04445	1.2
147.08043	1.0
147.11687	3.3
148.05214	1.4
149.05971	5.6
149.09631	12.6
149.13263	9.6
151.07564	2.2
151.11166	9.7
153.05490	1.1
153.09119	4.4
161.61800	0.7
163.07530	1.8
163.11208	0.8
163.14842	1.7
165.05516	1.2
165.12762	100.0
166.06310	1.2
167.14357	5.3
168.07832	2.4
173.13301	2.3
177.05518	3.0
177.09007	1.4
178.09877	3.1
179.07039	2.2
181.08583	5.8
191.07013	1.6
191.14278	5.5
191.15862	0.8
194.09395	4.0
201.65224	0.7
209.08096	2.9
209.11858	7.7
209.15366	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.8
53.47106	1.6
55.01873	8.1
55.05510	53.4
56.96563	2.9
57.03421	6.1
57.07086	3.5
59.03825	1.8
59.04984	6.3
65.03926	3.1
67.05507	14.4
69.03416	6.9
69.07069	7.9
69.16585	1.8
69.47962	14.4
71.04993	8.6
75.04475	1.9
78.04676	1.9
79.05489	15.1
79.84872	1.5
81.07058	28.1
83.04980	67.4
83.08615	30.9
85.02906	1.8
85.06544	3.6
89.03935	2.9
91.05482	19.3
93.03392	6.1
93.07037	22.4
95.04352	3.3
95.04963	57.5
95.08619	14.4
97.06532	34.4
97.10165	8.8
99.04459	8.5
99.08091	2.9
103.05454	7.6
105.07021	14.9
106.04171	17.6
107.04971	4.1
107.08589	35.2
109.06512	100.0
109.10149	34.3
111.08089	12.5
117.03313	2.5
117.06989	3.4
119.08586	6.8
121.06509	21.2
121.10142	29.9
123.08070	12.3
123.11700	11.7
125.05985	4.6
125.09617	11.6
131.04884	3.3
131.08563	9.9
133.10118	35.2
134.03665	2.3
135.08057	13.7
135.11671	5.9
137.09628	2.9
139.07483	2.3
145.02831	2.3
145.10118	5.0
147.11644	3.1
148.05170	4.6
149.02339	2.0
149.05968	19.2
149.09595	7.3
149.13287	10.1
151.11185	28.2
153.05440	1.9
153.09088	41.0
158.10902	4.3
163.14796	7.1
165.12767	2.4
167.06989	1.6
167.12833	2.5
167.14299	53.2
173.13220	15.8
177.05492	16.1
181.08603	5.3
191.07040	3.5
191.14311	28.2
193.04984	2.0
198.38257	1.8
209.08075	7.0
209.15363	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.91085	1.7
52.30534	1.8
53.03938	4.8
55.01871	4.9
55.05512	92.6
57.03425	5.5
57.07067	5.7
59.05003	4.7
65.06263	1.6
67.05502	12.0
67.11997	1.8
69.03426	7.7
69.07082	10.3
70.09283	5.5
71.04998	9.7
79.05494	12.8
81.03391	2.0
81.07056	26.2
83.04983	100.0
83.08619	48.1
85.06557	4.0
89.03892	1.7
91.05480	11.8
93.03408	4.3
93.07047	19.5
94.19254	1.5
95.04973	41.8
95.08609	18.2
97.06535	30.7
97.10179	10.4
99.04445	9.4
99.08097	2.4
103.05473	4.1
105.07037	12.5
106.04192	10.8
107.08593	28.8
109.06524	72.9
109.10159	29.5
111.08061	14.8
113.09637	1.6
117.36839	1.9
119.05009	1.9
119.08587	5.9
121.06513	9.0
121.10151	25.5
123.08063	6.1
123.11720	14.5
124.20087	1.8
125.06004	3.4
125.09615	18.3
131.08577	5.1
131.21831	1.8
133.10133	24.2
135.08015	9.7
135.11665	5.1
139.07529	1.8
145.02824	2.1
145.10089	3.2
147.11702	3.2
148.05138	2.4
149.06007	12.9
149.09628	11.7
149.13245	13.3
151.11185	51.1
153.09103	29.6
158.10924	2.2
161.50554	1.8
163.14882	3.8
165.12799	2.8
167.14317	82.6
173.13287	12.2
177.05507	7.9
181.08594	3.4
191.14316	18.3
209.08061	5.9
209.15353	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.6
55.01863	3.8
55.05513	12.9
56.81657	2.7
57.03432	10.0
57.07072	7.5
57.30589	2.4
59.05006	3.5
62.51078	2.5
65.03928	3.0
67.05504	13.9
69.03448	14.4
69.07055	8.3
69.41564	14.9
69.41984	8.9
71.04987	6.5
79.05492	15.9
81.03403	3.7
81.07056	37.5
83.04992	13.8
83.08610	6.0
90.74264	2.7
91.05478	22.8
93.03408	3.8
93.07052	17.7
95.04972	95.4
95.08606	16.3
97.06545	16.4
98.21536	5.7
99.04451	18.1
103.05458	3.6
105.07037	14.9
106.04167	10.5
107.08598	48.9
109.05779	3.9
109.06523	78.0
109.10161	17.7
111.08049	9.6
113.78731	2.5
117.07033	5.9
119.08601	12.1
121.06507	10.9
121.10141	37.0
122.07272	7.5
123.08089	14.1
123.11690	9.4
125.09646	8.8
126.01089	6.6
131.08545	6.8
133.10130	100.0
135.08066	31.1
135.11700	5.4
137.09613	73.9
145.10120	4.2
147.11711	5.0
149.05981	10.8
149.09630	8.3
149.13242	21.9
151.11160	8.1
153.09126	51.8
154.11951	2.9
163.11197	2.9
163.14841	6.7
165.12773	43.3
173.13281	18.8
177.05516	8.1
181.08536	3.9
191.14322	42.1
207.15973	2.7
209.08203	3.4
209.11378	2.7
209.15381	48.5
225.18921	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.2
53.53393	0.9
55.05503	3.2
57.07074	1.9
59.04994	1.7
59.13489	1.0
59.56039	0.8
67.05511	5.0
68.80662	0.9
69.03434	12.4
69.07057	5.0
70.88950	2.5
71.04996	1.1
79.05486	4.4
81.03420	10.2
81.07056	11.1
83.04982	4.7
83.97438	0.8
91.05484	4.6
93.07047	5.9
95.04984	7.9
95.08610	12.9
96.98535	0.9
97.06526	1.5
97.29534	0.9
99.08118	1.3
105.07043	6.8
107.08603	15.2
109.06521	13.3
109.10172	2.5
116.46822	0.9
119.08590	7.0
121.06540	1.8
121.10149	16.4
122.07292	1.5
123.08074	14.5
123.11713	9.9
125.09677	1.6
133.10164	11.0
135.08037	4.6
135.11711	2.6
136.08856	0.8
137.09622	10.9
137.13196	2.2
141.90327	0.8
147.11713	4.4
149.09633	9.3
149.13257	9.4
151.11194	7.7
153.09183	1.2
163.14888	1.7
165.12767	100.0
173.13333	1.9
191.14330	4.4
209.15382	40.9
210.96718	0.9
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
53.03947	1.5
54.14058	0.6
55.01870	1.5
55.05513	22.5
56.48793	0.6
57.07082	0.8
59.04994	1.8
66.29256	0.6
67.05499	4.3
69.03429	3.2
69.07062	2.7
69.80488	3.6
71.04992	5.1
71.08611	1.0
79.05493	2.5
81.03395	0.7
81.07066	6.7
81.17411	0.6
83.04983	28.6
83.08623	11.5
85.06539	1.1
89.03904	0.7
89.51711	0.6
91.05485	2.5
91.06001	0.6
93.07044	5.2
95.04971	100.0
95.08611	3.3
97.06530	4.2
97.10178	2.1
99.04456	18.1
103.05515	0.7
105.07036	2.5
107.05013	1.2
107.08616	8.5
109.06520	8.9
109.10159	8.7
111.08073	4.8
119.08611	1.6
121.06511	2.7
121.10144	6.9
122.36021	0.7
123.08037	1.7
123.11713	4.1
125.06014	0.9
125.09636	5.9
126.65250	0.6
131.05023	0.8
131.08583	1.5
133.10124	7.0
135.07991	1.4
135.11710	0.9
139.07568	1.1
145.10124	0.9
147.11636	1.2
148.05258	0.6
149.05980	2.1
149.09627	1.6
149.13272	2.8
151.09993	0.5
151.11176	12.4
151.12325	0.9
153.09108	24.7
153.10320	1.3
163.14836	1.3
167.14322	23.1
173.13350	3.4
177.05499	2.8
181.05008	2.9
181.08496	0.9
191.07184	0.7
191.14339	4.5
209.08145	1.5
209.15385	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05510	18.1
57.07063	4.4
59.04991	6.1
64.56042	2.0
65.03924	2.0
67.05511	11.3
69.03431	13.2
69.07071	22.8
69.35141	17.3
71.04974	8.0
79.05495	11.2
81.07060	17.7
83.04974	34.7
83.08611	7.9
85.06528	5.9
91.05487	13.0
93.03340	2.8
93.07039	24.8
95.04968	13.9
95.08028	3.8
95.08604	37.2
97.06530	18.6
97.10159	1.9
99.04419	3.3
99.08108	3.2
103.05502	2.9
105.06991	10.5
106.04161	6.7
107.08586	54.3
109.06535	13.1
109.10152	20.9
111.08072	8.9
113.05983	4.9
119.08565	5.3
121.06535	10.5
121.10134	36.9
123.08064	7.7
123.11692	6.4
125.05983	3.6
125.09638	15.8
125.48624	2.2
129.06851	2.2
131.04930	2.5
131.08556	8.6
133.10133	33.8
134.03615	2.1
135.08051	14.7
135.11671	34.8
137.09581	4.6
139.07545	3.4
139.11171	6.5
143.08603	2.8
145.10091	5.9
147.11710	12.8
149.05949	7.9
149.09634	9.6
149.13251	26.2
151.11176	100.0
153.09102	21.6
158.10872	5.6
163.14798	16.9
165.12697	2.2
167.10538	3.5
167.14310	8.2
173.13239	23.6
177.05426	7.4
187.07744	2.0
191.14302	74.3
191.54524	1.9
203.94377	2.0
208.10313	1.9
209.08060	4.1
209.15349	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	209.1171
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03931	2.0
55.01868	4.2
55.05515	3.1
56.96508	0.5
57.03435	1.2
57.07071	0.8
59.04993	0.6
65.03938	3.1
67.05484	2.1
68.43227	0.6
69.03411	2.5
69.07048	2.0
69.95694	3.1
71.04987	1.2
73.19368	0.5
75.04472	1.8
77.03918	0.7
77.84195	0.6
78.04692	2.4
79.05486	4.8
81.03394	1.6
81.07059	3.1
83.05006	2.6
83.08606	1.6
85.02891	1.7
85.06562	0.5
87.16459	0.5
88.96389	0.6
89.03917	1.1
91.05476	22.0
93.03400	6.4
93.07030	6.9
95.04953	5.7
95.08605	3.2
97.06523	2.8
97.99750	0.5
99.04448	0.7
100.11240	1.2
102.04733	0.6
103.05459	6.9
105.03394	0.8
105.04500	0.9
105.07027	5.8
106.04177	12.9
107.04276	0.9
107.04955	13.2
107.08586	4.6
108.05708	1.9
108.98969	0.6
109.06519	5.2
109.10140	1.6
110.03638	1.4
111.04435	2.0
111.08114	0.7
115.05457	2.3
116.06241	0.9
117.03374	1.2
117.07002	4.0
118.04105	0.6
119.04948	10.6
119.08560	3.4
120.05716	0.8
121.02905	0.8
121.06503	28.4
121.10118	3.8
123.04414	4.0
123.08052	5.3
123.11674	1.0
125.05996	5.9
125.09637	0.6
131.04921	4.6
131.08536	0.8
132.05736	1.0
133.02849	4.6
133.06497	5.1
133.10126	1.8
134.03604	1.9
134.07231	2.8
135.04424	2.2
135.07091	1.0
135.08044	15.3
135.11691	1.6
136.05190	6.7
136.08852	0.8
137.05975	5.5
137.09575	1.7
138.06754	3.2
139.07555	2.2
145.02806	1.2
145.06465	2.6
146.07281	4.0
147.04411	16.3
147.08047	10.2
147.11639	0.7
148.05170	8.0
148.08800	1.2
149.05971	22.8
149.09605	6.6
149.13290	2.7
151.03893	2.3
151.07535	23.0
151.11185	1.9
152.08318	1.3
153.04268	1.2
153.05450	14.5
153.09084	2.4
154.06247	2.5
161.05981	4.5
162.06752	10.8
163.03923	0.8
163.07538	24.5
163.11166	0.9
163.14778	1.2
164.08299	1.0
165.05472	13.8
165.06863	0.8
165.09140	0.8
165.12750	10.8
166.06247	20.4
166.09988	0.8
167.06999	1.4
167.14365	0.7
168.07811	25.8
169.08559	1.7
173.13261	1.6
176.08330	1.5
177.05475	7.4
177.09091	13.9
177.10632	0.9
178.09880	53.4
179.07031	27.6
179.08257	0.5
179.10420	2.6
181.08586	71.2
182.08897	0.6
191.07030	1.1
191.14262	2.2
193.08617	0.9
194.05730	1.0
194.09380	62.4
209.08112	5.6
209.11720	100.0
209.15276	6.2
210.12039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03954	10.9
55.01870	18.3
55.05515	4.0
65.03941	15.4
67.05511	8.2
69.07060	4.4
75.04488	9.9
77.03916	1.8
78.04704	11.1
79.05490	11.5
81.03406	2.2
81.07046	7.2
83.04981	3.8
83.08636	1.9
85.02913	11.0
85.06465	2.1
89.03912	9.3
89.06046	2.7
91.05481	53.1
93.03414	35.6
93.07043	22.4
94.04164	1.8
95.04971	20.5
95.08620	8.5
97.06528	13.8
99.81946	1.5
103.05473	23.3
105.03365	4.6
105.04527	4.2
105.07018	5.0
106.04173	89.4
107.04957	7.2
107.08604	6.0
108.05718	2.0
109.06505	7.2
109.10146	3.9
110.03622	3.0
111.04470	3.1
117.03384	7.5
118.04120	3.5
119.04942	7.1
120.05699	1.8
121.06510	86.0
121.10074	2.5
122.03697	1.6
122.07266	3.4
123.04426	5.9
123.08081	4.3
123.11685	5.2
124.05183	3.8
125.05995	23.3
131.04948	8.3
134.03630	19.1
135.04408	2.5
135.08034	3.5
135.11694	2.2
137.05960	13.5
138.06755	6.5
139.07547	5.0
140.08087	1.5
145.02847	6.9
147.04407	3.0
148.05196	11.7
149.05983	100.0
149.13261	2.6
151.03900	2.7
151.07590	4.1
151.11220	2.5
152.08325	2.3
152.10284	1.6
153.05424	9.2
153.09116	19.7
159.04436	3.2
162.03224	2.3
163.03947	2.2
163.07520	6.7
163.14804	5.2
165.12813	3.1
166.06250	4.1
167.06956	2.2
173.13254	2.2
176.04684	2.9
177.05473	46.8
181.08594	21.9
191.07050	6.7
191.14355	10.7
194.05717	2.5
209.08107	25.5
209.15303	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	209.0812
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.26690	0.9
52.52444	1.0
53.03935	3.3
54.14656	0.9
54.47301	0.8
55.01874	7.4
55.05508	6.2
56.96568	20.8
57.03441	5.0
57.07060	2.2
58.99856	1.6
61.02915	3.9
65.03925	3.8
67.05511	9.5
69.03442	9.5
69.07053	3.4
69.45552	5.3
69.45961	2.3
70.06583	3.3
71.01342	1.4
71.04977	4.2
71.83128	1.1
72.08147	1.7
73.02918	7.7
74.90247	1.0
78.04696	1.1
79.05495	8.4
81.03408	9.7
81.07063	4.9
82.04225	1.2
82.94839	1.7
83.04995	5.3
83.08604	2.2
84.08134	2.6
84.96014	1.4
85.02907	12.5
85.06557	1.1
87.04450	1.9
88.01740	1.0
89.03929	6.6
91.05483	15.7
93.03389	2.8
93.07052	10.4
94.06573	8.7
95.04980	10.0
95.08582	3.0
96.08128	4.5
97.02900	8.2
97.06530	2.4
98.09691	1.9
98.97578	8.6
98.98471	1.7
99.04431	2.5
100.00069	2.7
100.02464	1.4
101.00862	3.3
102.04119	1.0
103.05476	20.2
105.03378	1.8
105.04483	1.9
105.07042	1.9
105.40653	1.1
106.04222	2.1
106.06538	3.1
107.04960	10.9
107.08599	5.0
109.02892	11.5
109.06505	4.4
109.10134	1.9
110.97546	2.4
111.02898	1.7
111.04470	2.0
111.08089	1.2
112.04681	1.3
112.80248	1.0
113.02374	1.6
113.05962	1.9
116.98624	5.2
117.02139	2.2
117.03372	7.1
118.01128	4.3
118.04167	1.4
119.01915	7.8
119.03706	1.7
119.04926	7.0
120.02070	1.3
120.03426	1.4
120.05714	1.9
121.01543	1.2
121.02860	4.2
121.05640	1.7
121.06509	27.3
121.10101	5.7
122.06018	7.7
123.04453	2.1
123.08002	1.8
123.11701	1.4
125.09618	2.1
127.03910	3.0
128.02303	1.6
128.98633	1.7
131.01886	4.5
131.04927	25.2
132.02072	1.1
133.01599	1.5
133.03523	1.1
133.10094	1.3
134.03638	9.0
134.09612	2.1
134.99648	2.0
135.03430	1.6
135.04353	7.9
135.08031	1.9
135.11636	1.4
137.02934	1.0
137.04594	1.1
139.04156	1.1
143.00128	1.3
143.01897	2.3
144.99829	1.3
145.01678	2.4
145.02841	4.9
145.03714	1.4
146.99600	1.3
147.03362	1.3
147.04324	6.0
147.11700	1.4
148.04025	1.6
148.05177	11.0
149.02357	2.7
149.05980	36.2
149.09578	2.0
149.13243	3.7
150.05507	100.0
151.11172	3.2
152.08215	2.3
153.09053	2.6
154.94171	1.6
155.01866	1.5
156.97519	1.4
157.03487	4.8
158.03566	3.4
158.99641	2.2
159.04376	13.3
160.06332	2.0
161.01161	1.6
161.02896	2.9
161.06599	1.9
162.03143	2.6
162.99101	1.3
163.00856	1.7
163.02657	4.3
163.03941	9.6
163.06252	1.3
163.07541	4.2
163.11205	1.2
163.14749	1.2
164.07054	1.0
165.12755	3.4
166.06270	1.5
167.01952	2.1
167.06998	2.3
167.14323	2.7
168.03664	1.6
168.05206	1.4
168.06589	3.5
169.03471	2.2
170.05264	1.3
172.95230	3.5
173.02972	2.3
174.98514	2.1
175.04381	1.6
176.04768	5.8
177.01871	3.3
177.05469	70.8
179.62144	1.1
181.01657	1.1
181.05107	1.2
181.08586	1.5
183.01735	1.1
185.02957	9.7
185.06468	1.3
186.02921	5.8
186.06113	4.4
187.00897	1.2
187.02776	1.9
187.04501	2.7
190.96344	1.3
191.02020	1.3
191.07011	8.6
191.14252	3.1
191.15625	2.5
194.05742	6.5
195.02872	1.7
197.01154	1.6
199.02866	1.8
199.04500	2.8
203.02251	1.2
203.03996	4.9
204.04082	1.7
204.07312	1.2
205.03679	1.2
209.01164	2.6
209.02905	9.0
209.04704	5.8
209.07979	32.9
209.12923	2.3
209.15074	5.1
209.16476	13.3
215.01671	1.3
221.05104	2.1
227.02156	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03922	2.3
55.01872	3.9
56.96553	1.6
58.72513	0.7
65.03927	0.7
71.33700	0.8
71.34016	0.7
77.03914	1.3
78.04675	0.9
79.05482	2.5
81.07045	1.0
82.33994	0.6
83.04969	1.1
85.02946	0.7
85.77021	0.6
89.03915	7.0
91.05482	16.7
93.07037	7.6
95.04987	3.3
95.08598	1.7
97.02898	0.8
97.06495	0.9
98.97580	3.6
103.05466	21.4
105.03365	1.1
105.04498	0.6
105.07036	0.7
106.04148	3.8
107.04292	0.6
107.04959	11.0
107.08606	0.9
109.06514	0.7
110.97561	0.6
117.03385	8.7
118.04150	1.8
119.01820	0.7
119.04932	5.9
120.05708	2.5
121.06503	28.7
121.10147	0.7
122.06815	0.8
123.04432	1.1
124.05102	0.9
125.06017	0.7
128.02351	0.7
131.04927	34.2
133.02875	1.4
134.03645	10.8
135.04399	3.7
137.05917	0.8
140.88139	0.6
145.02841	6.4
147.04424	6.4
148.05191	16.1
149.05981	48.2
151.03899	0.9
157.89143	0.7
158.99664	1.6
159.03186	1.2
159.04417	17.3
162.03122	2.3
163.02736	0.6
163.03893	4.2
163.07529	4.0
164.10718	1.9
165.05469	1.5
166.06250	2.3
167.07039	1.8
176.04700	6.6
177.05467	100.0
178.06145	2.1
180.06416	1.9
181.08571	1.6
184.69582	0.6
189.05768	0.6
191.05447	1.0
191.07004	8.4
194.05724	8.5
209.08093	45.0
209.15410	2.2
213.74886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03937	3.0
55.01862	1.5
55.05292	1.1
55.05508	11.4
56.96561	2.8
57.03416	1.4
57.07051	2.4
65.03926	3.2
67.05508	15.9
69.03418	1.8
69.07074	16.5
69.44621	1.1
71.61093	1.8
79.05062	1.2
79.05492	15.1
81.03394	3.8
81.07059	39.8
83.04984	2.8
83.08620	5.3
83.36477	1.1
85.02908	1.8
85.06528	1.8
91.05479	34.0
93.03360	1.9
93.07047	28.6
95.04958	5.8
95.08608	58.5
97.02873	2.9
97.06521	2.5
97.10162	4.1
99.08108	1.2
101.46690	1.3
102.49051	1.1
103.05463	3.6
105.07034	48.9
105.07751	2.4
107.04923	2.3
107.08593	32.2
108.05709	1.9
109.02882	2.8
109.06499	4.2
109.10160	19.9
111.04433	1.4
111.08055	3.6
111.11773	1.1
115.05456	1.4
115.96441	1.3
117.07014	3.5
118.04072	1.8
119.04956	15.4
119.08585	62.6
121.02894	1.7
121.06468	3.3
121.10142	17.0
123.04408	4.2
123.08080	5.5
123.11716	8.2
123.51177	1.1
125.02319	1.3
131.08566	4.8
133.06476	4.8
133.10139	45.9
135.04445	2.6
135.11705	11.1
136.05191	6.0
137.06020	2.5
137.09593	3.8
145.10114	5.8
145.57870	1.3
146.03659	5.3
146.10881	1.8
147.04425	14.5
147.07991	1.7
147.11687	38.1
149.02335	15.6
149.06027	2.4
149.09599	2.6
149.13263	40.4
151.07524	11.7
151.11183	2.5
159.11681	1.8
160.12517	2.5
161.05991	4.1
161.09645	1.8
161.13246	17.1
162.72119	1.2
163.03851	3.6
163.11215	1.5
163.14775	4.2
164.04692	16.1
165.05542	1.4
165.12747	6.9
166.86964	1.1
171.11699	1.3
174.03152	5.8
174.10399	1.7
174.14067	3.0
175.03894	2.5
177.05437	3.1
177.16371	1.4
179.07030	15.2
179.17856	1.7
189.05415	2.4
189.08949	1.2
189.12816	5.3
189.16382	100.0
191.03430	1.8
192.04163	8.4
192.09138	1.2
192.11478	3.5
207.06522	38.6
207.09958	2.4
207.11871	2.5
207.13815	24.1
207.17436	48.2
214.85339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.64795	3.3
53.03947	6.1
55.01867	5.1
55.05523	16.1
56.78905	2.7
57.03428	3.5
57.07070	8.1
57.50718	2.6
64.31373	2.7
65.03924	8.3
66.97092	2.9
67.05508	33.4
68.99778	8.8
69.03432	25.8
69.07063	14.7
71.04998	15.1
71.21983	5.7
71.22314	3.9
76.80205	3.1
79.05495	43.6
81.03423	6.9
81.07061	32.2
83.04967	15.5
85.02888	7.7
85.06542	8.8
91.05487	47.1
93.07056	45.8
95.04963	15.9
95.08610	75.9
97.06544	4.7
98.07206	3.3
99.08089	3.2
100.86206	3.0
101.02374	5.4
103.05437	4.1
105.03371	9.6
105.04504	3.2
105.07037	48.4
107.04967	33.5
107.07867	3.7
107.08601	71.5
109.06516	20.8
109.10167	26.3
110.10375	3.1
111.04433	7.7
111.08065	13.7
117.06998	4.6
119.04958	20.0
119.08588	65.3
121.02869	3.5
121.06495	8.1
121.10136	29.6
122.07218	5.5
123.04438	12.1
123.08066	36.7
123.11725	15.7
128.06203	3.4
129.03377	4.9
129.06989	6.7
133.02832	8.7
133.06509	5.5
133.10129	62.1
135.08064	4.0
135.11696	73.4
137.06003	7.1
137.09602	31.5
145.02856	7.6
145.10126	6.7
147.04427	32.4
147.05510	4.9
147.08012	6.1
147.11696	53.1
148.08746	4.0
149.09637	24.1
149.13255	15.0
151.07516	7.4
151.11160	14.2
161.02315	5.0
161.09618	9.1
161.10849	3.9
161.13255	21.9
163.11127	6.1
163.14819	15.2
165.01849	3.2
165.07668	3.6
165.09050	5.6
165.11531	3.7
165.12779	14.5
171.11731	3.9
175.03900	14.7
177.05478	3.7
179.03346	6.7
189.05487	12.2
189.12755	17.3
189.16388	100.0
190.16789	3.5
207.02911	24.7
207.06573	22.1
207.10030	18.1
207.12027	6.4
207.13802	38.4
207.17442	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03936	4.4
55.01863	4.4
55.05516	12.7
57.03412	4.5
65.03936	4.8
67.05512	16.1
68.99798	3.0
69.03429	12.3
69.07064	12.0
71.04977	7.5
71.61239	2.0
76.53620	1.4
79.05492	15.1
79.57659	1.6
81.03413	5.8
81.07058	25.2
83.04968	7.3
83.08595	3.5
85.06523	5.4
90.54388	1.5
91.05481	50.9
91.48600	1.4
93.03412	4.2
93.07052	32.1
95.04987	11.6
95.08611	30.5
97.02876	6.7
97.06561	2.3
103.05470	4.5
105.03420	2.6
105.04509	2.8
105.07027	37.1
106.04187	3.1
107.04938	2.8
107.08595	56.9
108.05752	3.6
109.02868	2.9
109.06512	11.0
109.10168	16.5
111.04421	5.3
111.08084	2.7
113.09634	1.5
115.05426	2.3
117.07003	3.1
118.04140	5.7
119.04943	38.1
119.08585	40.1
120.05688	1.8
121.02845	5.6
121.06515	26.6
121.10146	14.8
123.04450	10.7
123.08070	14.8
123.11697	6.9
125.02364	1.7
125.09611	1.8
131.08522	2.0
133.06509	12.2
133.10133	39.4
135.04437	3.2
135.11697	75.5
136.05183	16.0
137.05978	4.5
137.09615	14.3
137.13171	2.6
139.03923	3.2
145.10089	3.6
146.03632	13.4
146.10889	2.3
147.04401	28.6
147.08032	3.1
147.11690	34.4
148.05193	2.6
149.01161	1.7
149.02335	28.3
149.06012	4.8
149.09641	5.5
149.13234	9.2
151.07562	20.0
151.11165	12.6
159.11671	2.4
161.05981	9.8
161.13269	19.4
163.03873	7.6
163.11195	23.4
163.14841	8.3
164.04692	37.8
165.05463	5.5
165.12759	6.2
174.03131	10.5
175.03868	2.6
177.05507	5.5
179.07048	33.6
181.52997	2.0
189.05460	4.4
189.09241	1.9
189.12744	4.9
189.16386	65.3
189.18112	3.7
191.03435	3.1
192.04185	16.7
207.06537	100.0
207.09982	4.7
207.13821	17.2
207.17433	51.0
208.06776	1.6
221.16103	1.6
226.15901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.98437	1.3
53.03942	1.5
55.05507	7.4
57.03429	2.7
57.07071	3.7
59.04980	1.6
65.03938	1.5
67.05511	11.5
69.03423	3.3
69.07065	9.1
71.04987	4.8
79.05500	17.1
81.06626	2.0
81.07062	21.2
83.04983	4.0
83.08603	4.7
85.06536	5.9
86.72797	1.5
91.05479	18.3
93.07052	36.5
95.04962	4.1
95.08609	30.7
96.36016	1.5
97.06514	2.3
97.10125	1.9
98.21504	3.3
99.04461	1.4
105.03384	2.4
105.07034	27.3
107.04958	5.9
107.08600	58.8
109.06516	5.2
109.10172	17.0
111.08070	4.7
117.07033	1.4
119.04954	2.7
119.07776	2.7
119.08580	41.0
121.06501	1.7
121.10139	14.3
123.04415	1.5
123.08076	9.9
123.11708	11.1
131.08566	2.7
133.06578	1.4
133.10129	47.3
135.11696	100.0
137.09621	12.9
145.10104	3.2
146.10963	1.5
147.04390	3.2
147.08037	1.5
147.11691	32.7
149.09616	4.1
149.13277	10.7
151.11174	16.4
161.09718	1.8
161.13263	6.3
163.14854	10.9
163.16183	1.8
165.09103	1.5
165.12726	3.2
175.03979	1.5
177.05531	1.7
179.03432	2.2
179.10683	1.8
183.69928	1.4
189.05531	1.9
189.08981	2.3
189.16380	90.2
193.04910	1.7
207.02921	3.7
207.06686	3.6
207.10019	2.5
207.12001	1.8
207.13864	6.8
207.17450	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03943	3.8
54.47252	1.3
55.01859	3.0
55.05508	11.3
56.96563	1.6
57.03426	2.5
57.07067	4.5
61.45384	1.3
65.03934	4.9
65.07065	1.3
67.05508	23.6
68.99780	4.6
69.03422	2.7
69.06776	1.2
69.07072	15.3
69.55134	9.0
71.04980	4.8
72.17016	1.3
78.04720	2.4
79.05490	21.8
81.03394	2.7
81.07059	41.1
83.04982	2.7
83.08617	6.6
85.06525	4.7
90.04680	1.4
91.05484	64.3
93.03395	4.8
93.07054	34.2
95.04972	13.0
95.08608	57.0
97.06519	3.1
97.10168	3.8
99.08087	2.0
103.05452	6.4
105.03384	1.4
105.04534	1.8
105.07030	40.5
106.04173	2.6
107.04934	3.5
107.08595	34.1
108.05750	4.8
109.02837	2.3
109.06493	4.6
109.09424	2.3
109.10152	21.8
111.08073	3.8
117.07005	3.3
118.04152	5.4
119.04951	44.1
119.08582	39.2
120.05686	1.6
121.02876	5.7
121.06514	9.0
121.10139	14.9
123.04418	11.6
123.08064	10.7
123.11732	8.9
125.09676	1.6
129.07027	2.7
129.09035	1.3
131.08563	5.2
133.06499	6.1
133.10133	45.3
134.03630	3.0
135.04416	4.0
135.11716	10.5
136.05206	18.7
136.48044	1.6
137.05977	4.7
137.09576	5.2
145.02814	1.8
145.10129	3.4
146.03644	16.5
146.10925	1.5
147.04408	33.2
147.10622	2.4
147.11700	30.4
148.05109	3.7
149.02348	41.3
149.05995	8.4
149.09627	4.0
149.13258	29.3
151.07555	17.8
151.11182	2.7
159.11661	2.3
161.02415	1.7
161.06006	17.0
161.09622	4.1
161.13245	10.9
163.03917	10.9
163.11246	1.7
163.14862	6.7
164.04697	47.6
165.05330	1.8
172.47968	1.5
174.03159	12.7
174.13991	2.8
175.03917	2.7
176.08232	2.0
177.05458	5.7
179.07039	46.9
179.14389	1.6
189.05467	2.2
189.09111	4.1
189.12794	5.1
189.16382	66.8
190.02609	1.9
191.03319	4.1
192.04204	19.1
207.06535	100.0
207.10043	4.2
207.13875	9.3
207.17438	41.3
208.03577	1.6
208.06946	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03949	1.6
55.01864	1.1
55.05511	8.0
57.03417	3.7
57.07077	6.4
58.75618	1.0
59.04981	1.5
65.03923	2.0
65.76591	1.1
67.05505	10.6
69.03413	2.0
69.06762	1.1
69.07068	11.2
70.80025	2.0
71.04990	3.0
79.05491	10.0
81.03419	1.2
81.07058	18.9
83.04964	2.7
83.08588	4.1
85.06532	5.6
88.62485	1.0
91.05470	15.9
93.07050	29.8
95.04992	2.6
95.08604	31.9
97.06519	2.2
99.08094	2.2
105.06374	2.0
105.07034	29.1
107.04935	1.7
107.08596	67.6
109.06493	4.8
109.10160	16.9
111.08063	2.8
113.09583	1.1
115.96416	2.1
119.04925	1.3
119.08584	39.8
121.10144	12.1
123.08072	8.9
123.11690	8.5
127.07521	1.1
131.08630	1.3
133.10135	46.1
133.97408	1.6
135.11693	100.0
136.12036	1.2
137.09633	12.8
137.13245	1.8
145.10152	2.5
146.10872	1.4
147.04396	1.7
147.11691	36.0
149.09666	1.8
149.13245	10.4
151.11177	15.7
160.12450	1.3
161.09602	1.1
161.13229	7.8
163.14807	15.9
165.12782	1.8
175.03911	1.8
189.05453	2.2
189.08981	1.3
189.16385	93.5
190.16628	1.5
207.02966	1.6
207.13826	4.5
207.17439	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03938	2.0
55.05506	8.7
56.96557	2.0
57.03418	3.6
57.07055	3.3
57.17030	1.0
61.79687	1.0
65.03915	1.0
66.48138	0.9
67.05208	1.0
67.05503	11.5
67.09224	0.8
69.03410	1.8
69.06715	1.0
69.07063	11.4
71.04971	2.0
71.62148	1.3
79.05486	11.1
81.03380	1.3
81.07053	19.3
83.04964	3.1
83.08598	4.4
85.06551	6.6
89.54300	1.0
91.05479	17.4
91.52721	1.1
93.06458	1.7
93.07038	30.1
95.04933	3.6
95.08602	33.7
95.36839	0.9
97.06528	2.5
97.10125	1.0
99.08102	1.7
103.05435	1.4
105.07024	27.3
107.04952	1.7
107.08589	58.4
109.06500	3.7
109.10155	19.1
111.08091	5.2
111.11715	1.1
115.95774	0.9
115.96449	6.8
116.97199	1.8
117.06992	1.6
119.04904	2.8
119.08578	39.1
121.10150	12.4
123.08053	9.4
123.11693	11.9
125.09576	1.6
127.07520	1.7
129.83600	1.0
131.08524	2.4
133.02797	1.3
133.06512	1.3
133.10124	46.1
133.97498	2.4
135.11687	100.0
136.11971	1.1
137.06041	1.0
137.09602	9.8
137.13229	1.7
143.00137	1.0
145.02718	1.1
145.10124	2.7
146.03650	1.2
147.04398	3.5
147.07907	1.3
147.11674	28.9
149.09608	2.6
149.13258	11.0
151.07512	1.4
151.11169	16.7
156.99091	1.2
159.11569	1.5
160.12436	1.1
161.01231	1.5
161.05962	1.5
161.09619	1.4
161.13234	8.6
163.14821	16.0
165.12717	4.2
166.01680	1.0
177.05563	1.1
179.06978	1.1
184.00211	1.1
184.04474	1.1
189.05533	2.1
189.08965	1.2
189.16374	84.2
192.09380	1.5
207.02879	2.4
207.06453	4.3
207.09860	1.6
207.11917	1.8
207.13927	5.7
207.17424	63.4
228.68033	1.0
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
53.03929	4.2
55.01860	2.7
55.05506	11.0
57.03421	3.6
57.07061	4.4
65.03901	2.2
67.05198	1.8
67.05508	17.6
68.99770	3.2
69.07066	15.6
70.19517	7.0
70.19894	3.5
71.04998	3.8
79.05486	17.0
81.03423	2.6
81.07056	36.2
81.29863	1.6
82.39957	2.0
83.04953	3.6
83.08599	6.1
85.06535	4.3
91.05478	41.8
93.03445	2.3
93.06464	2.5
93.07042	41.7
95.04948	7.1
95.08607	56.2
97.06517	4.0
97.10151	2.8
103.05467	5.3
105.07036	46.1
106.00279	1.7
107.04964	2.2
107.08596	57.0
108.05680	3.6
109.06499	6.5
109.10154	25.2
111.08066	4.0
115.96465	2.2
117.07015	3.3
118.04092	2.2
119.04951	22.6
119.08583	59.1
121.06471	6.2
121.10136	18.9
121.20345	2.1
123.04411	5.0
123.08052	12.4
123.11701	10.0
131.08543	5.5
133.06503	4.9
133.10130	53.6
135.04370	2.3
135.11694	58.7
136.05186	9.8
137.05933	2.8
137.09579	6.5
145.02827	1.9
145.10120	4.0
146.03613	10.2
147.04396	20.0
147.08055	2.2
147.11687	50.7
148.05121	1.6
149.02347	24.2
149.05957	3.0
149.09724	2.4
149.13263	38.0
151.07527	16.4
151.11176	11.2
155.61711	1.8
160.12463	2.2
161.05975	3.2
161.13254	17.7
163.03873	6.9
163.14844	11.8
164.04684	30.1
165.12738	4.2
174.03107	6.7
174.14108	1.7
175.03886	2.2
177.05438	4.8
179.07050	25.1
189.05479	5.5
189.16385	100.0
191.03337	3.4
192.04172	12.1
207.06537	68.2
207.11926	3.2
207.13789	11.5
207.17422	73.2
208.17946	1.8
229.98996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
50.82701	1.6
53.03933	2.7
54.84640	1.8
55.01878	1.6
55.05511	14.7
56.96568	24.1
57.03419	1.8
57.07076	4.1
58.35579	2.0
65.03922	2.7
66.01613	1.5
67.05503	16.1
68.22261	1.9
69.03427	2.9
69.07065	27.8
69.84794	10.6
71.04974	2.6
79.05484	12.1
79.82467	2.0
81.07050	19.8
83.04967	4.1
83.08608	3.6
85.06548	3.8
91.05469	25.1
93.07047	17.8
95.04958	8.6
95.08614	23.1
99.08088	2.2
103.05464	3.3
105.07032	46.3
107.04945	4.1
107.08598	28.6
108.99387	1.7
109.06499	4.0
109.10158	11.0
111.08083	1.7
115.96436	9.4
116.97228	2.2
117.06986	3.4
119.04986	3.4
119.08582	90.5
121.06474	3.2
121.10170	10.9
123.04475	2.4
123.08035	7.3
123.11730	3.8
126.05124	2.0
128.04886	6.3
130.07809	1.9
131.08591	8.8
133.10129	34.0
133.97458	4.0
135.05647	3.3
135.11693	29.6
137.09587	6.2
139.00621	2.3
141.05743	2.8
142.06453	3.8
145.10130	11.5
146.10828	2.4
147.04391	5.1
147.05710	2.2
147.08163	9.9
147.10623	2.2
147.11685	22.4
149.02318	2.4
149.09608	4.8
149.13239	4.9
151.07535	3.6
151.11147	6.1
154.06520	1.8
156.06219	2.9
156.07990	8.1
156.09352	5.2
157.07680	2.4
159.11647	3.6
161.01175	3.2
161.02992	2.3
161.05992	2.5
161.07219	3.0
161.09610	2.5
161.13254	100.0
163.14793	4.1
165.06694	2.4
165.12781	3.7
166.08253	17.0
167.56927	1.9
169.01736	1.7
170.09547	4.6
171.11671	8.8
175.03914	3.5
175.08809	53.7
175.58942	5.5
177.58968	2.4
179.07028	3.2
184.04584	3.9
184.09334	25.8
184.59444	7.2
186.59566	11.7
189.05499	3.4
189.12753	27.5
189.14551	1.9
189.14870	2.3
189.16380	24.3
192.09354	3.1
193.09885	6.1
195.60100	5.4
204.60732	2.2
207.02875	3.5
207.06567	9.2
207.09877	4.2
207.11847	3.6
207.13765	24.6
207.17429	18.0
217.07523	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.52774	0.8
53.03937	3.4
55.01857	2.8
55.05513	5.5
57.03427	1.8
57.07069	2.7
59.04989	1.5
65.03927	3.4
66.04718	0.8
67.05502	8.2
68.99783	2.5
69.03414	3.1
69.07066	6.9
71.04971	4.7
78.04739	1.1
79.05489	10.5
81.03408	2.4
81.07055	15.6
83.04972	3.3
83.08601	1.4
85.06532	2.6
89.48558	1.0
91.05480	34.9
93.03387	3.6
93.07045	19.3
95.04978	9.6
95.08608	29.8
97.02877	3.0
99.04453	2.0
99.08091	0.9
103.05477	5.3
105.03360	1.0
105.07034	22.9
106.04174	1.3
107.04958	2.8
107.08595	30.8
108.05746	4.6
109.06537	9.2
109.10165	13.9
111.04435	2.3
111.08071	2.0
115.05441	1.4
117.07070	1.1
118.04156	3.9
119.04947	27.6
119.08582	31.8
121.02861	4.3
121.06521	7.3
121.10137	15.2
123.04430	9.0
123.08080	11.6
123.11713	6.4
131.08557	2.5
133.06512	5.8
133.10138	19.9
134.03625	1.5
135.04416	2.8
135.11696	37.0
136.05202	13.2
137.05954	2.6
137.09589	5.6
139.03902	1.8
145.10074	6.3
146.03618	8.8
147.04414	23.9
147.08067	3.1
147.11693	34.7
148.05075	1.0
149.01143	1.4
149.02342	27.0
149.05977	4.2
149.09651	2.6
149.13280	6.5
151.07550	15.5
151.11157	6.1
156.09315	1.0
161.05984	4.9
161.09613	1.6
161.13266	14.9
163.03923	8.1
163.11182	2.8
163.14824	5.7
164.04689	36.7
165.05457	2.4
165.12756	100.0
171.11691	3.1
174.03134	9.9
175.03925	1.7
176.08308	0.8
177.05418	4.2
179.07033	28.5
179.14313	14.8
189.05482	2.5
189.12773	7.6
189.16380	28.6
189.18088	1.4
190.02652	1.7
191.03430	1.7
192.04178	13.9
201.99629	0.8
207.06535	80.6
207.13803	93.5
207.17395	25.3
208.06844	1.0
208.14154	1.3
210.88277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.1
53.03951	8.2
53.88496	0.8
55.01871	3.1
55.05510	11.1
56.96556	2.3
57.03436	2.1
57.07067	1.7
58.97158	0.7
59.04998	0.8
65.03941	3.0
67.05505	27.6
68.99809	0.8
69.03424	2.3
69.07063	10.5
71.04990	3.6
71.61430	1.3
72.78859	0.8
73.06545	1.0
75.41164	0.9
76.41301	0.7
77.03894	1.1
79.05492	49.5
81.03416	3.8
81.07059	28.3
81.07446	0.6
81.09946	0.7
83.04969	5.8
83.08606	4.0
84.25967	0.7
85.06545	3.7
91.05482	56.8
93.07044	100.0
95.04971	15.5
95.08605	19.9
97.02882	2.9
97.06536	2.2
97.10152	1.1
99.08089	1.0
103.05465	2.6
105.04523	3.5
105.07032	35.0
107.04969	3.2
107.08598	20.1
109.02874	1.0
109.06502	6.9
109.10157	6.3
111.04438	2.6
111.08092	1.5
115.05459	1.1
115.96433	2.7
117.06981	4.3
119.04926	6.2
119.08582	25.6
121.02879	0.9
121.06516	3.3
121.10139	6.7
123.04456	2.2
123.08072	6.9
123.11705	2.8
125.02444	0.9
125.09635	1.2
127.07557	1.4
128.06207	1.5
129.07021	8.3
131.08583	1.9
133.06506	1.7
133.10138	17.0
133.11169	1.0
135.04453	1.1
135.08051	0.9
135.11703	19.4
137.05991	1.9
137.09618	3.1
137.13239	1.2
143.08539	6.0
145.10136	8.9
146.03638	0.9
147.04439	3.4
147.08049	3.3
147.11685	56.8
149.02303	3.2
149.09598	2.1
149.13304	3.4
151.07568	3.6
151.11188	3.4
151.14647	0.8
156.09346	1.0
159.88870	0.7
161.05956	2.8
161.09636	5.5
161.13254	12.1
163.03886	1.8
163.11072	1.0
163.14833	3.0
164.04689	4.2
165.05566	1.9
165.12766	2.3
165.98814	0.9
169.00525	0.7
171.11696	19.4
174.03107	1.1
175.04002	1.2
179.07050	3.2
179.14394	1.0
189.05495	2.8
189.09192	1.1
189.12747	14.4
189.16379	15.9
189.18082	1.1
192.04150	1.3
207.02805	1.3
207.06551	12.1
207.11890	1.0
207.13809	21.5
207.17445	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.34083	1.5
55.05499	6.0
57.07070	3.8
58.39667	1.6
66.45150	1.4
66.50249	1.3
67.05508	25.6
69.03427	4.9
69.07062	4.3
69.71124	10.4
71.04991	3.9
79.05489	4.7
81.07054	4.7
83.04979	5.4
85.06559	7.9
85.28844	1.6
91.05474	8.4
93.07052	13.5
95.04963	4.7
95.08607	100.0
97.06542	2.7
105.07033	15.1
107.08595	20.7
109.06521	6.9
109.10150	3.1
113.06007	4.4
119.08587	27.4
120.09414	2.4
121.06518	3.8
121.10136	18.9
123.08076	57.5
123.11685	7.1
131.08559	5.2
133.06483	2.0
133.10123	6.3
135.08035	3.2
135.11702	3.1
137.09615	7.3
137.13193	2.1
143.08600	2.8
147.07994	3.7
147.11696	14.6
149.09628	56.8
151.07483	2.0
151.14774	4.4
151.92540	1.8
156.09367	3.5
159.08099	2.5
161.09564	2.9
161.13268	22.7
163.11237	1.9
165.09084	1.8
165.12746	10.9
171.11716	4.8
174.10358	3.5
179.14308	2.9
189.12758	22.1
207.13817	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.1
55.01860	4.9
55.05511	13.0
57.03418	5.1
57.07060	3.5
65.03908	2.7
67.05502	15.0
69.03412	5.6
69.07069	12.4
69.66074	12.5
71.04985	7.9
77.91380	1.8
78.64732	1.9
79.05496	13.2
81.07063	19.0
83.04981	16.1
85.02911	23.0
85.06551	4.0
90.29105	2.1
91.05477	28.6
93.07039	19.9
95.04993	10.7
95.05460	2.4
95.08616	21.4
97.06531	9.7
98.20727	3.1
98.97569	5.2
99.04418	4.3
103.05481	2.6
105.07037	36.0
107.04959	4.2
107.08595	28.9
108.05737	2.6
109.06526	53.7
109.10159	13.3
111.08078	18.8
117.07000	2.4
119.04948	15.1
119.08578	44.9
121.06494	8.3
121.10148	36.6
123.04414	6.5
123.08080	27.3
123.11691	19.6
125.06001	3.0
125.81044	1.9
129.06995	4.0
131.08568	6.9
133.06500	7.7
133.10127	20.0
135.08035	7.4
135.11714	4.7
136.05180	4.9
137.05948	8.2
137.09628	23.2
137.13226	5.3
143.08548	4.5
145.06506	2.8
145.10118	8.7
146.03604	3.6
147.04463	11.5
147.08067	15.4
147.10632	3.7
147.11696	54.8
149.02332	8.8
149.09616	49.5
149.13315	2.1
151.07530	20.3
151.11221	3.6
156.09325	10.4
158.99652	3.6
159.08058	7.4
159.11714	2.9
160.08875	2.6
161.05959	6.5
161.09668	6.6
161.12125	2.8
161.13268	26.3
163.03908	2.9
163.11176	4.2
164.04648	17.0
165.09129	4.0
165.12761	61.8
171.11681	15.8
174.03130	3.2
174.10423	25.2
175.03958	2.7
177.05496	2.6
179.07068	12.5
179.14301	3.8
189.09157	3.1
189.11037	4.3
189.12743	72.0
189.16406	6.1
192.04118	6.3
207.06541	31.5
207.13805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	5.8
55.01854	3.6
55.05508	14.3
56.96551	3.3
57.03431	2.7
57.07068	4.1
59.04977	3.0
65.03926	4.8
67.05508	19.6
67.66385	1.5
69.03428	18.2
69.07060	16.2
71.04988	10.0
71.17744	3.9
79.05489	19.1
81.03402	5.1
81.07063	25.7
83.04979	8.7
83.08620	3.3
85.02927	2.1
85.06536	4.0
91.04955	3.1
91.05486	53.5
93.07041	28.2
95.04975	14.5
95.08040	3.2
95.08608	48.0
97.02873	2.3
97.06528	7.9
98.97588	5.3
99.04424	2.1
103.05453	6.2
105.07034	49.2
107.04947	3.1
107.08587	33.2
108.05703	3.5
109.06531	11.4
109.10134	11.7
111.08061	5.2
113.06004	3.0
115.05492	3.2
117.06998	4.9
118.04180	4.6
119.04945	30.9
119.08582	69.9
119.09444	3.6
121.06510	11.9
121.10140	28.5
123.04455	11.0
123.08073	35.9
123.11678	7.4
125.09633	4.4
128.06186	3.2
129.06987	5.5
131.04903	3.5
131.08591	10.5
133.06503	11.6
133.07376	2.1
133.10126	39.2
135.04370	2.1
135.08043	7.1
135.11688	7.1
136.05194	7.8
137.05960	6.1
137.09602	16.5
137.13159	1.9
137.27768	1.6
138.22771	1.9
143.08537	5.2
145.06470	1.9
145.10127	7.5
146.03613	5.4
146.07239	2.5
146.10907	2.5
147.04411	21.8
147.08084	13.9
147.11681	42.6
149.02342	17.5
149.05960	3.1
149.09618	54.7
149.13266	2.3
151.07556	18.1
151.11166	2.2
153.09073	1.8
156.09332	7.7
158.99622	4.3
159.08080	3.2
159.11633	3.4
160.08820	2.6
161.01187	4.4
161.05972	25.7
161.09607	15.2
161.13257	72.1
163.03857	4.5
163.11174	8.2
164.04689	19.1
165.09146	2.8
165.12755	11.7
171.11714	12.4
174.03096	2.1
174.10420	6.1
175.03918	14.1
175.07547	2.7
177.00720	1.9
177.05431	2.8
179.07036	22.6
179.14272	5.2
189.05452	3.0
189.09155	9.8
189.12753	49.5
189.16379	4.9
192.04184	10.9
195.07790	5.2
207.06523	52.2
207.10100	7.6
207.13797	100.0
207.17384	6.4
227.11444	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	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01859	2.7
55.05515	2.1
56.04823	1.5
56.05037	20.4
56.96552	4.8
57.03444	12.8
58.06598	28.0
59.04996	4.4
60.04511	5.1
60.08158	2.5
61.02920	5.4
65.03925	3.0
68.05021	10.8
69.03432	11.8
69.07060	3.5
70.06582	2.8
71.01340	1.9
71.04987	3.5
71.60247	2.3
73.02913	11.1
76.07644	3.8
79.05477	1.8
80.05003	5.0
81.03426	2.5
81.07077	2.0
82.06598	1.6
83.04967	4.2
84.04504	97.6
85.02902	26.0
86.06068	2.8
88.02230	2.6
90.05549	2.7
90.93492	1.5
91.05485	1.8
95.04942	2.3
96.04519	1.9
96.08129	100.0
97.02883	5.2
98.06038	2.1
98.97569	10.2
99.04453	2.1
100.03964	2.1
101.00855	3.4
102.05542	6.1
107.04970	1.8
110.01303	3.2
110.06083	3.7
110.97556	1.7
113.00827	1.7
113.02342	4.7
114.03758	19.8
114.05518	6.9
116.98603	4.6
119.01860	9.6
121.01667	3.2
122.06023	6.7
124.07594	57.3
128.02307	7.2
128.07089	1.8
131.74870	1.7
134.06017	1.9
134.99734	2.3
140.07115	2.0
140.77542	1.5
142.05017	3.8
142.08633	71.4
146.03244	3.6
146.08076	2.7
150.02693	6.8
158.99683	2.6
160.04279	34.4
160.05943	2.4
160.09691	65.3
161.02977	2.4
165.00703	1.7
170.08124	61.4
173.03009	1.9
174.03114	2.1
177.00685	2.2
185.02977	2.1
188.09169	24.0
189.00748	2.7
191.14293	4.5
201.00566	2.2
206.02831	1.9
206.05168	14.6
206.08466	3.3
206.10245	71.0
221.05084	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	207.0651
Annotation	Scoparone
Peak:m/z	Relative Intensity
53.03936	5.0
55.01868	2.7
55.05503	4.7
57.07059	1.5
59.05009	1.3
65.03933	3.8
67.05508	8.4
68.99801	1.2
69.03442	2.2
69.07074	8.2
69.96141	6.4
71.05000	1.5
78.04709	1.8
79.05486	9.1
80.06236	1.2
81.03413	3.1
81.07052	17.6
81.33191	1.1
83.01942	1.1
83.04997	3.1
83.08607	3.7
85.02885	1.7
85.06543	1.5
89.03911	1.6
91.05476	45.3
93.03396	4.0
93.07039	21.3
95.04967	11.1
95.08605	25.4
97.02881	2.8
97.06524	2.0
98.21505	2.4
103.05468	7.5
105.03407	2.9
105.07033	24.5
106.04189	2.2
107.04976	3.4
107.08593	22.6
108.05721	3.8
109.06507	5.7
109.10172	9.2
111.04474	2.2
111.08072	2.9
115.05524	2.2
117.06959	1.8
118.04158	7.7
119.04939	37.4
119.08581	27.1
121.02838	4.4
121.06495	9.1
121.10133	10.3
123.04402	7.7
123.08069	9.5
123.11670	6.3
125.02299	1.5
131.04935	1.2
131.08511	3.2
133.06490	7.2
133.10136	22.1
134.03609	1.7
135.04401	2.6
135.11688	21.0
136.05199	16.8
137.05980	3.1
137.09604	4.9
143.99257	1.4
145.10098	3.3
146.03607	9.8
147.04407	31.4
147.08086	1.3
147.11688	17.2
149.01166	1.8
149.02342	33.5
149.05959	5.3
149.09615	3.1
149.13254	14.5
150.55603	1.4
151.07541	20.5
151.11205	3.3
161.05986	4.9
161.09639	1.9
161.13272	7.6
162.03082	1.3
163.03894	9.6
163.11151	1.5
163.14771	4.3
164.04684	49.7
164.36131	1.3
165.05515	2.1
165.12775	2.7
167.05774	1.2
174.03108	11.7
175.03908	3.3
177.05469	3.3
178.06223	1.6
179.05458	1.9
179.07021	37.2
189.05504	4.1
189.12756	2.6
189.16380	46.8
190.02649	1.4
191.03384	4.0
192.04163	15.7
207.06522	100.0
207.11789	2.9
207.13812	7.9
207.17435	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	206.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
55.01867	12.1
55.05498	8.0
56.05033	5.6
56.96568	56.1
56.96842	5.3
57.03441	18.5
58.06585	9.1
58.99581	5.0
59.04992	6.0
60.04512	5.1
61.01120	2.4
61.02926	13.9
65.03943	10.5
66.04269	4.1
67.05503	14.3
68.05015	6.2
69.03440	25.5
69.07052	6.2
70.02945	7.0
70.03757	3.1
70.06570	5.6
71.01328	2.3
71.04641	2.5
71.04992	31.7
71.61066	2.6
71.95267	2.8
72.04514	19.9
73.02914	48.3
74.02422	5.3
74.06075	4.4
74.97618	2.1
77.00832	2.5
79.05479	5.0
80.05024	3.3
81.03419	16.4
81.06993	3.3
82.06574	6.1
83.00766	2.5
83.04984	11.7
84.04509	17.6
84.08141	27.9
84.96020	9.4
85.02903	26.8
85.06542	18.8
86.00646	6.3
86.09678	2.6
87.02683	6.1
87.04449	3.1
88.02188	5.6
88.03974	8.7
89.00754	2.8
89.06004	9.4
90.01526	3.6
90.04276	2.7
90.05553	61.0
91.05460	7.2
95.04960	14.0
96.04429	2.3
96.08122	18.6
97.01090	2.5
97.02895	25.7
98.01301	4.5
98.02417	12.3
98.03201	3.9
98.09709	3.2
98.97587	57.1
98.98333	3.8
98.98483	3.9
99.02663	10.8
99.04443	14.3
100.02190	6.0
100.03997	6.1
101.00846	8.1
101.02419	4.5
101.04231	7.4
101.06014	2.4
103.02413	3.8
104.01286	3.0
105.02066	2.9
107.04954	6.5
108.04481	3.8
108.05251	2.6
108.08105	7.0
108.59969	2.3
109.02837	16.1
109.06525	2.6
110.01270	12.6
110.03688	11.0
110.06045	5.6
110.97569	12.6
111.04468	10.5
113.00880	2.6
113.02351	3.6
113.05969	3.8
114.03746	19.6
115.02397	3.2
115.03916	2.5
116.03428	9.3
116.05284	2.8
116.98638	24.2
119.01839	36.9
119.03654	3.2
119.04911	3.8
120.01987	5.6
120.54012	2.8
121.01587	4.5
121.02892	6.5
121.06492	2.9
122.03164	2.4
122.06006	3.7
123.04415	10.2
124.07581	13.2
125.01829	2.6
125.04257	4.5
126.09185	2.3
127.00618	2.3
127.02459	2.6
127.03922	5.6
128.02303	38.9
128.07082	19.5
128.98611	18.4
129.02031	4.6
131.01895	18.8
131.22795	2.1
132.01132	2.6
132.02069	5.2
133.01675	3.4
133.03412	4.7
134.99640	7.5
135.04402	8.3
136.06186	34.7
136.93120	2.7
137.02806	14.1
139.00616	3.3
141.02203	3.4
141.84885	2.3
142.03447	8.7
142.06856	94.7
142.08643	9.7
143.00160	9.0
143.01888	4.3
144.10207	4.1
145.02679	2.4
145.03490	2.9
146.02174	3.0
146.03223	11.0
146.06984	2.6
146.08131	7.3
146.99615	9.8
147.04393	4.8
148.03801	4.8
148.53999	4.1
149.01172	2.9
149.02328	3.0
150.02710	10.2
151.04062	3.9
152.07068	4.6
155.00122	7.1
155.03717	4.9
156.97530	4.3
157.01591	2.8
157.03355	4.8
157.04411	5.3
158.99672	11.1
159.03398	2.6
160.04260	28.1
160.07930	41.5
160.09689	21.9
160.13326	25.2
161.01189	6.6
161.02911	8.9
163.03918	5.8
163.97623	2.5
165.03058	10.3
166.03862	4.1
167.02863	5.8
170.08115	28.1
170.99634	7.8
171.04790	6.3
172.95247	6.9
173.01245	9.8
173.02922	3.1
173.04648	3.4
174.03592	9.7
174.98563	4.9
175.04547	10.7
176.98164	3.0
177.00807	10.9
179.99123	3.2
182.99712	10.9
185.01237	4.9
187.02809	3.5
188.03355	7.3
188.07393	53.4
188.09167	40.7
188.10727	3.4
189.00620	5.7
190.96407	4.3
191.02219	2.6
191.14247	6.0
194.03354	3.2
198.98560	3.3
199.04527	3.9
201.00688	31.1
201.02483	6.0
201.04277	3.5
203.02238	5.9
203.04027	3.4
206.05208	26.8
206.08447	100.0
206.10236	18.6
206.13867	9.4
207.11249	4.4
215.04230	3.7
219.01736	12.6
223.04538	2.9
227.02362	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03944	1.8
55.01858	1.1
55.05508	6.9
55.91375	0.6
56.05027	0.7
56.13682	0.7
57.07076	7.9
60.04502	1.2
63.02352	0.9
65.03939	20.9
66.66788	0.6
67.05505	16.7
68.05018	1.7
69.03410	1.8
69.05360	0.9
69.07070	17.0
69.89604	3.2
73.02938	0.6
76.44096	0.6
79.05119	0.6
79.05502	7.0
81.03403	2.0
81.07058	13.8
83.04997	0.8
83.06078	0.7
83.08641	3.5
84.04506	3.4
85.02910	1.0
85.04818	3.7
86.03207	0.7
86.58557	0.7
89.03921	9.9
91.05473	6.8
93.03407	1.4
93.07043	12.2
95.04955	2.0
95.08604	26.2
96.04466	2.2
97.02890	3.3
97.04795	2.7
97.10176	4.0
98.03211	2.6
98.21349	0.8
99.06396	0.9
103.05463	1.7
105.03378	1.0
105.07030	5.1
106.04194	0.9
107.08595	15.3
109.02884	1.8
109.06518	1.6
109.10155	59.0
110.10492	0.9
111.11723	6.0
113.96351	0.6
114.05529	0.9
115.05914	0.9
117.03363	4.5
117.07013	1.6
117.44125	0.7
118.04137	2.6
119.04926	0.7
119.08569	2.1
121.02863	6.5
121.03960	1.4
121.06498	8.7
121.10146	16.5
123.07984	1.2
123.11711	7.9
126.05529	2.3
127.03835	0.8
127.05879	6.3
131.05022	0.8
131.08572	1.1
131.90767	0.7
133.10121	1.7
134.03595	1.2
135.04408	2.3
135.08063	1.1
135.11697	17.3
137.13237	1.5
143.08539	0.8
145.02846	43.2
145.06706	1.0
145.10126	2.6
147.04427	2.4
147.07970	0.8
147.11664	0.9
149.02342	46.6
149.05965	2.6
149.09613	0.9
149.13257	11.9
159.08118	0.8
159.11678	1.7
162.03148	1.4
163.09955	0.8
163.11201	2.8
163.14877	3.3
164.09312	0.9
169.07036	1.1
173.02364	6.7
176.04713	0.7
177.01912	0.8
177.04047	0.6
177.05431	4.0
177.09027	1.1
177.12706	1.4
187.07709	0.9
187.11105	1.3
187.14775	1.0
191.03365	3.3
205.04964	100.0
205.08858	6.5
205.12190	6.8
205.14108	3.2
205.15977	3.6
205.19525	27.6
206.05334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80253	1.2
56.96547	2.0
69.03112	1.3
69.24283	14.6
76.36933	1.4
77.00896	1.9
82.99845	2.5
97.10177	1.6
98.20778	2.8
98.97588	1.9
100.02492	1.7
100.47845	1.5
101.00887	23.3
101.02651	1.5
102.01005	1.6
103.00634	2.7
115.02475	1.8
119.01926	68.4
120.02005	4.3
121.01674	7.8
124.02457	7.6
137.02971	16.4
139.02715	1.7
142.03505	100.0
143.03632	3.4
144.03236	5.9
146.03188	4.0
150.02808	1.9
155.00308	1.4
155.01826	1.6
160.04549	32.3
161.03001	3.6
165.05156	2.4
177.00955	2.6
178.00891	1.6
179.00702	3.2
182.99641	3.6
183.01402	5.3
183.03232	3.2
183.04973	3.7
183.06352	4.6
184.04584	1.7
188.99185	2.9
191.49370	2.1
191.99484	3.2
200.49979	6.9
201.00612	5.5
201.02461	16.5
201.04216	2.9
201.06073	3.0
201.07979	2.2
201.09647	7.0
206.03052	1.7
206.05275	9.1
216.95477	1.3
219.03546	4.5
219.10878	2.6
224.04063	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05516	8.6
57.07063	2.5
58.45082	0.9
67.05505	14.1
69.07072	10.3
69.64100	5.7
71.51137	0.8
73.70155	0.9
79.05516	5.7
81.07062	25.0
83.08614	6.6
89.47583	0.9
91.05478	11.1
93.07050	11.9
95.08609	52.3
96.31249	1.1
97.10172	1.4
98.20669	1.1
105.07034	34.5
107.08598	22.1
107.50211	1.0
109.10162	34.9
117.07011	3.1
119.08582	46.9
121.10154	16.7
123.11710	8.4
131.08569	2.1
133.10130	43.7
135.11696	4.2
145.10124	10.5
147.11690	43.3
159.11693	4.2
160.12465	4.5
161.13271	18.5
174.14041	1.2
175.14818	4.8
185.13226	1.2
203.10635	3.3
203.17964	100.0
209.53506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.01496	0.9
53.03948	1.5
54.72113	1.0
55.01885	1.1
55.05294	1.0
55.05515	12.4
56.96564	1.8
57.06823	1.0
57.07078	14.7
60.04517	1.4
63.09116	0.8
65.03634	1.3
65.03943	11.6
67.05505	11.5
69.03442	1.1
69.06705	1.6
69.07069	23.0
69.39964	7.8
71.08614	2.1
79.05055	1.0
79.05498	14.4
81.07059	45.2
83.08615	8.8
84.04488	1.4
85.02906	1.0
85.04835	1.4
89.03920	2.8
90.97684	0.8
91.05495	8.7
91.15984	0.8
93.03436	1.0
93.07049	48.5
95.04967	1.5
95.08607	36.3
96.35947	1.1
97.02879	1.7
97.04827	1.1
97.10166	7.6
100.99136	1.1
103.05439	1.4
105.07033	8.8
107.08597	41.8
109.02842	1.0
109.06537	1.5
109.10159	32.3
111.04451	1.6
111.11706	3.7
117.03375	1.6
119.00196	1.8
119.08597	3.7
121.02863	11.5
121.03999	3.1
121.06541	1.9
121.10145	90.3
123.11714	13.5
126.05565	1.1
127.05847	2.1
131.08578	2.6
133.10106	1.7
135.08072	1.5
135.11699	27.5
137.13257	1.4
145.02850	14.5
145.10162	4.0
147.08089	0.9
147.11681	2.1
149.02345	100.0
149.13266	47.3
149.14485	1.6
150.02722	1.0
159.11679	2.3
161.13254	1.2
163.02812	1.5
163.11214	2.6
163.14844	6.6
173.02383	1.8
177.05449	1.2
177.12730	2.1
177.16437	2.1
187.11255	1.5
187.14845	3.0
190.04996	1.0
205.04961	31.1
205.06767	1.3
205.08858	2.8
205.12225	3.9
205.14169	3.4
205.15919	6.3
205.19530	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.85395	1.2
55.05516	12.3
57.07064	3.8
67.05197	1.5
67.05502	12.1
69.07072	17.3
69.27177	6.8
69.27607	5.1
77.03908	1.3
79.05499	6.0
81.07056	25.7
83.08609	4.2
88.59873	1.1
91.05479	16.9
93.07050	13.0
95.08149	1.1
95.08606	37.8
97.10149	3.3
105.07033	54.5
107.08588	20.9
109.10163	25.1
117.07035	1.9
119.08586	61.3
121.10148	16.6
123.11676	5.5
129.77313	1.1
131.08565	5.6
133.10132	67.3
135.11696	4.6
143.08577	2.2
145.10115	14.7
147.11691	64.0
159.11771	6.5
160.12457	5.9
161.13254	26.6
161.18367	1.3
173.13225	1.8
174.14041	2.0
175.07484	1.6
175.14883	6.8
185.13187	5.7
203.10713	2.2
203.14218	3.9
203.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05289	1.0
55.05509	11.3
57.07067	1.8
58.98209	1.0
66.15467	0.8
67.05172	1.1
67.05505	17.9
69.07066	14.9
69.44773	4.5
69.45181	2.7
70.77104	0.9
79.05492	10.3
81.07055	29.7
83.08604	4.3
84.00623	1.0
85.02881	1.1
90.95657	0.9
91.05479	20.7
93.07038	19.5
95.08609	48.9
97.10155	2.3
98.43584	1.1
105.07029	61.9
107.08594	26.5
109.09451	1.9
109.10159	35.9
115.05401	1.3
117.07015	3.0
119.08578	57.2
121.10145	16.7
123.11684	6.8
131.08569	6.0
133.10129	78.2
134.48608	0.9
135.11676	3.2
143.08568	3.5
145.10106	8.6
147.11684	59.1
148.12491	1.3
157.10057	2.3
159.11691	6.0
160.12462	4.3
161.13261	24.5
174.14006	2.1
175.07561	1.7
175.14859	8.5
185.09590	1.1
185.13242	3.9
203.07002	1.7
203.10657	3.6
203.14246	3.2
203.17960	100.0
214.04738	1.0
214.51447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03947	1.8
55.05515	10.7
57.07058	4.2
58.18636	1.4
67.05505	20.7
69.07066	18.9
71.19285	2.7
78.92129	1.3
79.05481	13.4
81.07056	28.2
83.08598	4.3
91.05475	21.9
93.07040	23.4
95.08603	51.8
97.10142	2.4
105.07025	75.8
107.08591	33.1
109.10155	48.2
117.06993	4.5
119.08579	80.8
121.06525	1.8
121.10145	25.9
123.11693	5.5
131.08560	5.8
133.10126	84.8
133.55225	1.5
135.11682	5.6
143.08609	1.6
145.10117	7.1
147.11685	71.8
159.11676	5.7
160.12509	3.6
161.09459	1.6
161.13266	37.0
173.13428	1.7
174.13976	3.8
175.07648	1.9
175.14803	14.0
181.98587	1.8
185.13181	3.5
203.07167	2.1
203.10519	2.2
203.17955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.04309	0.9
55.05511	10.2
57.07077	13.4
67.05511	12.7
69.07063	10.3
79.05492	4.4
81.07058	13.1
83.08634	4.7
84.04493	2.4
91.05483	15.6
93.07050	9.7
95.08611	30.5
96.04468	1.4
97.02862	2.4
97.10176	2.0
100.02509	1.9
103.05466	1.3
105.07034	52.1
107.08592	15.6
109.09446	1.8
109.10162	26.4
110.06036	0.8
110.46085	0.8
111.04464	0.8
115.05373	1.0
117.07003	3.3
119.04945	1.4
119.08584	78.2
121.10147	15.6
123.11711	3.1
126.05517	3.0
129.07005	1.3
131.08563	5.4
133.10139	67.0
135.11703	4.3
142.07782	2.1
143.08598	1.4
145.06548	1.1
145.10144	11.0
147.11691	88.2
148.12001	1.3
151.31418	0.9
157.10129	4.0
159.11723	5.9
160.08810	1.3
160.12457	6.3
161.09631	2.2
161.13268	43.5
173.13248	3.1
174.14096	1.4
175.11180	3.8
175.14862	7.8
185.09644	1.4
185.13251	1.3
188.08350	6.1
188.15723	1.7
203.10687	28.4
203.14224	5.0
203.17966	100.0
204.08714	2.2
204.13861	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03952	1.5
55.05513	5.6
57.07073	1.0
60.04525	1.1
62.16765	0.7
67.05162	1.4
67.05504	17.4
68.05018	2.4
68.22416	0.9
69.03445	0.8
69.06724	1.2
69.07070	14.9
69.55917	6.0
79.05499	8.9
81.07056	33.2
83.08624	2.1
84.04514	5.7
84.51670	0.9
84.62844	0.9
85.02879	1.4
91.05480	11.0
93.07048	18.3
95.08611	70.9
96.04495	2.5
97.02892	3.6
97.10163	0.8
102.23794	0.7
102.75142	0.8
105.07035	36.5
107.08595	40.5
109.10156	33.7
110.06042	1.5
114.05527	3.4
117.06997	1.9
119.06116	1.2
119.07896	0.8
119.08586	24.6
121.10152	13.7
123.11700	5.2
126.05526	7.3
131.08553	2.3
133.10133	25.6
135.11710	2.5
138.05554	0.9
143.08578	0.9
144.06638	1.2
145.10135	3.6
147.11691	51.3
148.12454	1.2
159.11742	2.4
161.09586	0.9
161.13260	17.1
168.06572	1.4
170.10988	0.9
174.42053	0.8
175.07578	0.8
175.14812	7.0
185.13297	1.0
203.05260	1.7
203.07045	1.1
203.10695	2.4
203.14311	3.2
203.17961	100.0
204.08604	2.5
204.18382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
50.46136	2.3
51.11438	1.9
55.05502	9.1
55.20885	2.1
65.85515	2.1
67.05498	11.6
68.05001	2.5
69.07065	11.7
70.19000	9.2
79.05489	4.4
81.07053	11.8
83.08615	4.1
84.04491	9.1
85.11095	2.1
89.70341	2.1
91.05481	13.4
93.07031	9.8
95.08609	38.1
96.04474	6.3
97.02901	3.7
98.06090	2.2
105.07025	32.3
107.08578	16.4
109.10152	20.2
114.05516	6.1
119.08582	35.7
120.96428	2.4
121.10133	13.0
123.11743	3.4
126.05490	16.3
131.08525	3.8
133.10117	31.7
133.93959	2.2
145.10109	6.8
147.11685	49.8
159.11679	5.3
160.12489	9.7
161.08267	3.0
161.13252	18.1
168.06569	4.1
175.14845	4.7
203.10692	2.9
203.14369	3.7
203.17949	100.0
204.08653	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	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22310	4.3
55.01867	28.1
55.05508	26.7
56.96562	33.3
57.03439	8.8
57.07075	6.0
59.82545	3.5
61.02902	6.8
65.05708	4.0
65.29485	4.0
67.05499	25.7
69.03419	15.3
69.07063	33.3
70.75048	12.4
71.04997	33.2
73.02911	18.5
79.05495	41.9
81.03413	8.5
81.07050	13.6
83.04974	28.9
83.08608	16.0
85.02905	27.9
85.06539	9.1
87.04469	38.1
91.05470	18.0
93.07037	40.7
95.04994	7.2
95.08590	18.5
96.04480	5.3
97.02875	13.4
97.06544	39.3
98.01301	7.5
98.97582	56.6
99.04459	5.9
101.00817	4.0
104.69698	3.6
105.07030	20.1
107.04958	6.1
107.08605	59.7
109.06498	3.9
110.01232	4.7
110.97619	6.0
111.04453	21.9
113.06008	100.0
115.03911	8.0
115.05447	11.9
116.98618	17.4
117.07065	6.4
119.01813	7.9
119.04937	9.9
119.08575	11.9
121.06471	8.3
121.10135	59.5
123.08095	5.5
125.05999	29.9
125.09631	76.9
128.02328	7.1
128.98663	5.1
131.01878	6.5
131.04871	5.9
131.08556	25.4
132.05664	5.0
133.10156	6.2
135.10214	4.2
139.11157	48.2
139.79308	4.0
140.05930	4.2
140.93054	3.8
143.00218	5.9
143.01816	4.4
143.04904	9.2
147.04399	37.3
147.08015	5.3
149.09605	27.0
156.97412	5.3
157.10120	6.0
157.12248	4.0
158.99669	16.4
160.05202	8.4
161.01186	7.1
161.09708	4.4
161.40810	3.9
167.02939	3.7
167.10667	43.7
169.03464	3.6
171.04404	6.9
175.07550	13.5
177.00714	14.2
179.97780	4.7
183.03064	4.5
185.09631	4.1
185.11742	18.0
187.02728	6.2
188.04634	6.5
188.45235	4.3
203.03410	12.9
203.05229	16.0
203.07086	29.7
203.10698	13.3
203.14296	6.8
203.17981	6.3
219.01819	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03937	1.0
55.05511	9.1
56.96565	1.3
57.07074	10.9
60.04534	1.2
67.05509	11.3
69.07066	12.2
69.84186	4.4
79.05487	4.8
81.07054	13.1
82.01440	1.5
83.08626	6.0
84.04479	1.5
91.05478	10.8
93.07051	7.6
94.47929	0.8
95.08609	32.1
96.04500	1.7
97.02894	1.5
97.10174	1.1
98.20771	1.3
100.02489	4.6
105.07030	47.7
106.93349	0.8
107.08598	17.2
109.10158	25.0
114.05570	1.6
117.07029	2.4
118.03481	1.6
119.08580	67.9
120.96548	0.8
121.10143	14.5
123.11691	2.5
126.05512	2.5
131.08545	4.7
133.10132	68.5
135.11697	3.4
142.07753	0.9
143.08540	1.5
145.10143	10.0
146.10867	1.3
147.11687	75.8
148.38800	0.8
156.97449	1.7
157.10095	1.0
159.11705	5.9
160.12476	5.2
161.13269	39.9
173.13373	1.9
174.14024	3.0
175.11165	0.8
175.14854	7.8
185.13255	1.6
188.15581	1.6
194.46457	1.0
197.99223	2.4
203.05296	0.9
203.10686	1.9
203.14449	6.6
203.17963	100.0
204.08585	1.7
204.13934	1.3
204.18283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03927	1.5
55.05512	8.6
57.07076	1.2
57.41309	0.9
67.05174	1.0
67.05506	14.0
69.07071	10.2
70.85680	1.2
70.86035	3.0
72.86652	0.9
79.05487	9.8
81.07058	30.9
83.08616	3.3
91.05475	16.1
93.07049	17.0
95.08611	47.0
97.10160	1.9
105.07034	53.7
107.08592	27.0
109.06438	1.5
109.10157	36.3
117.06992	2.4
119.08585	38.4
121.10143	18.6
123.11694	8.5
129.06920	1.6
131.08571	3.3
133.10130	38.4
135.11722	3.7
142.07817	1.6
143.08565	2.4
145.10159	6.1
147.11690	58.5
157.10172	1.9
159.11705	3.4
161.09645	2.4
161.13263	21.6
170.10876	1.3
175.14813	7.8
185.13216	4.8
185.21556	0.9
198.60783	1.2
203.10617	1.6
203.14357	6.1
203.17964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84042	2.5
57.03438	2.6
69.03422	2.0
69.61945	4.1
69.62350	7.5
70.06601	2.1
71.54799	1.5
73.02902	5.6
85.02892	3.6
97.02914	3.4
101.00887	9.2
106.18011	1.7
113.00909	3.3
119.01927	13.5
131.01962	2.5
143.01920	12.9
145.03459	2.4
153.24826	1.9
155.01865	2.3
161.02977	16.9
164.91783	1.8
173.02914	4.3
185.02933	3.8
198.04085	2.1
199.49916	1.8
203.05292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01869	21.7
55.05285	4.7
55.05508	44.1
56.96333	3.8
56.96566	43.9
57.03421	12.8
59.04990	12.0
60.04509	12.1
61.02921	7.9
65.03926	4.7
65.71558	4.1
67.05499	40.9
68.05019	7.2
68.67782	4.1
69.03429	35.8
69.06770	4.2
69.07069	46.3
70.05991	17.9
71.04990	49.9
73.02901	16.5
75.09499	3.7
79.05499	73.2
81.03370	5.4
81.07063	44.1
83.01349	5.5
83.04979	25.2
83.08617	20.9
84.04507	6.7
84.95999	4.6
85.02910	19.2
85.06516	5.0
86.09698	6.2
87.04053	4.0
87.04472	43.7
91.05478	46.1
93.07043	92.8
95.04977	8.5
95.08610	78.1
96.04452	8.6
97.02344	5.5
97.02882	25.7
97.06536	36.9
98.21397	7.2
98.97581	63.2
99.04406	9.3
100.02486	8.0
101.00864	6.5
101.06035	6.4
103.05468	9.2
105.07059	27.7
107.04963	9.5
107.08597	44.1
109.02862	7.9
109.06503	6.1
109.10137	16.3
110.97553	9.6
111.04426	10.7
113.06007	46.4
114.05520	10.0
115.03925	15.8
115.05432	24.9
116.98618	29.6
117.06989	7.5
118.03506	5.5
119.01908	13.6
119.04964	23.5
119.08578	26.8
120.96483	4.3
121.06543	9.3
121.10145	100.0
123.08100	4.8
125.06004	20.0
125.09627	43.4
126.05534	6.5
126.99088	4.5
128.06201	8.2
128.98596	5.3
129.06996	9.4
131.01871	15.6
131.04915	11.0
131.08546	16.9
133.06470	8.5
133.10121	12.4
134.99612	7.2
135.08054	6.2
137.02824	6.7
139.11169	62.6
142.07771	5.1
143.00134	5.6
143.01884	9.3
143.04936	21.9
143.08481	6.1
145.06432	5.7
145.10094	9.6
147.03180	6.3
147.04405	72.7
147.08022	9.9
147.11658	13.0
148.00905	4.7
149.09644	22.8
156.97467	10.8
157.03429	5.6
157.06497	7.5
157.10114	12.4
157.12228	28.4
158.99652	18.8
160.05203	26.5
161.01208	15.7
161.02962	12.0
161.05959	10.9
161.09647	7.2
163.03880	4.2
167.10666	23.6
171.04407	9.8
174.98576	7.4
175.02641	4.5
175.07547	35.2
175.11174	10.3
175.14844	6.4
177.00772	20.7
179.99150	5.7
183.03105	12.7
185.09625	5.7
185.11713	17.2
185.13200	6.6
188.04703	12.5
188.08395	7.1
189.00749	6.7
191.07433	5.0
192.03612	3.9
193.64870	3.7
198.00148	4.7
202.56941	5.8
203.03403	14.5
203.05229	48.8
203.07050	53.8
203.10619	26.1
203.14301	31.9
203.17912	18.2
204.08643	8.9
219.01891	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.42469	1.1
54.84692	1.1
55.05508	6.7
56.96563	2.6
57.07059	1.6
65.03934	1.2
67.05200	1.2
67.05503	11.9
69.07070	8.0
69.07381	1.6
70.85891	2.8
79.05489	12.2
81.07063	17.6
83.08620	1.7
91.05476	19.9
93.07044	17.0
95.04927	2.0
95.08605	50.1
98.97579	1.7
105.07027	29.8
107.08592	22.4
109.10185	7.1
115.05438	2.3
116.06175	1.4
117.07015	24.5
118.96767	2.0
119.08580	26.2
121.10149	10.4
128.06227	1.6
129.07007	5.2
130.07767	6.5
131.08569	58.6
133.10129	11.1
142.07846	1.8
143.08545	7.3
144.09322	5.6
145.10121	76.9
146.10902	3.3
147.11684	1.3
154.83875	1.1
157.10161	5.6
158.10898	3.8
159.11691	53.4
171.11702	4.0
172.12430	1.7
173.09535	1.4
173.13271	13.4
176.26956	1.1
177.59108	1.1
186.14064	4.8
201.05486	1.3
201.09183	3.0
201.12683	4.0
201.16380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03930	2.0
55.01851	0.7
55.05499	3.3
56.96560	5.0
57.03419	0.9
57.07045	1.9
59.93104	0.6
60.57272	0.5
61.02921	0.7
65.03920	0.7
67.05504	7.5
69.03407	1.3
69.07063	4.4
71.00799	0.7
71.01113	0.6
71.04971	2.2
73.02904	1.4
79.05489	6.4
81.03421	0.8
81.07051	16.0
83.04974	0.7
83.08640	1.0
84.08120	0.7
85.02877	2.4
85.06517	0.8
86.09727	1.0
87.04464	1.3
90.01516	0.7
91.05476	13.1
93.07041	34.8
95.04955	2.3
95.08601	13.9
97.02882	1.4
97.06509	0.6
98.01282	0.9
98.97582	7.1
99.04440	0.8
101.05988	0.6
103.05469	1.3
105.07024	20.6
107.08588	28.8
109.06527	1.0
109.07598	0.5
109.10158	9.5
110.97546	0.6
111.08038	0.9
113.06004	0.7
115.05418	1.0
116.98617	4.7
117.07006	10.9
118.96750	4.6
119.01791	1.4
119.08570	18.4
121.10130	12.4
123.08067	1.3
127.03911	0.9
128.02316	1.3
128.06224	1.3
128.10765	0.7
128.98593	1.4
129.06979	2.5
130.07765	2.6
131.08562	25.3
133.09166	0.3
133.10114	9.7
134.99640	1.2
137.09641	1.5
141.06993	1.3
143.00136	0.6
143.08572	3.3
144.09357	3.1
145.06471	1.7
145.10115	58.4
146.10834	2.4
146.99644	0.8
147.11627	1.8
154.96436	0.8
157.10139	1.8
158.07272	0.9
158.10878	1.7
158.99623	2.2
159.11684	37.1
160.12439	1.8
161.01302	0.7
165.09052	1.4
169.06300	1.3
170.52432	0.6
171.11682	1.8
173.05910	1.2
173.09604	1.2
173.13257	21.4
177.00694	3.1
177.98041	2.3
186.13994	1.4
201.05498	2.4
201.09100	2.2
201.11034	2.5
201.16370	100.0
202.06659	0.8
202.16701	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03921	1.2
53.43473	0.8
55.05492	2.6
56.96582	0.9
57.07066	1.8
67.05499	7.3
69.07056	3.7
69.43384	2.0
69.43800	3.9
70.23995	0.7
79.05054	0.8
79.05492	11.3
81.07056	13.5
83.08639	1.0
91.05479	14.6
93.07035	15.8
95.08612	17.2
105.07030	26.4
107.08591	16.8
109.10143	5.4
114.57169	0.7
115.05426	1.3
116.06262	0.9
117.07011	14.4
119.08573	17.5
121.10126	8.2
128.06232	0.8
129.07008	2.1
130.07771	4.4
131.08568	34.5
133.10147	9.4
135.11699	2.2
143.08542	3.2
144.09312	2.3
145.10118	51.0
146.10924	1.7
147.11652	2.1
157.10146	3.6
158.10913	1.7
159.08110	0.9
159.11694	35.9
160.12186	0.8
171.11671	1.7
172.12462	1.5
173.13275	14.0
186.14030	1.8
199.14786	1.3
201.09073	2.0
201.16379	100.0
202.16649	1.2
220.79689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03939	1.3
55.05497	2.8
56.96555	1.3
57.07063	3.1
63.78160	0.6
66.39114	0.7
67.05501	6.9
69.03400	0.8
69.07061	4.4
69.48077	2.1
69.48497	3.5
79.05492	8.5
81.07056	9.3
83.08592	1.6
91.05470	10.6
93.07045	13.6
95.04962	0.7
95.08038	1.3
95.08604	19.1
98.20776	1.4
99.04402	0.7
105.06377	1.2
105.07037	19.9
107.08595	14.4
109.06476	1.2
109.10157	4.3
111.04431	0.8
115.05444	2.0
116.06269	1.0
117.07017	16.8
118.96737	1.8
119.07780	1.1
119.08578	15.9
121.10152	6.4
128.06230	1.3
129.07039	3.5
130.07826	4.3
131.08568	44.2
133.10147	8.4
141.07010	0.9
142.07799	1.4
143.08582	7.1
144.09369	5.4
145.10117	64.6
146.10867	2.4
147.11624	1.5
155.08516	1.5
157.10133	6.2
158.10907	3.9
159.08031	1.6
159.11688	54.4
171.11688	2.9
172.12376	2.1
173.09566	1.1
173.13264	17.9
177.98080	1.4
186.10403	1.3
186.14034	4.2
201.05379	1.0
201.09055	4.5
201.12766	6.4
201.16379	100.0
202.16743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	1.0
55.05517	3.1
57.07071	2.9
67.05508	8.9
69.06763	0.6
69.07071	6.8
70.18600	1.2
70.18996	1.3
79.05497	8.2
81.07056	12.4
83.08617	2.2
85.46004	0.7
91.05489	14.5
93.07047	15.2
95.08611	39.6
98.20914	0.9
100.79774	0.6
105.06374	1.1
105.07040	20.2
107.08596	18.1
108.86620	0.7
109.10151	5.6
115.05445	1.6
116.06262	1.3
117.07009	17.1
119.08582	21.5
121.10146	8.3
128.06206	1.5
129.07011	4.4
130.07782	5.7
131.08571	40.0
133.10139	11.4
135.11700	0.9
142.07837	0.7
143.08562	5.4
144.09328	5.9
144.26041	0.7
145.10126	60.5
146.10814	2.1
147.11693	1.8
157.10135	5.0
158.10930	3.0
159.11700	51.0
160.12465	1.4
171.11682	2.8
172.12550	1.2
173.09723	0.9
173.13268	15.8
183.11787	0.8
186.13977	3.0
199.14832	0.7
201.09128	2.0
201.12671	3.4
201.16391	100.0
202.16722	1.4
214.74516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03934	0.7
55.05519	2.1
57.07079	1.2
65.03965	0.5
67.05498	3.1
69.03443	0.7
69.07069	4.2
69.69250	1.0
69.69656	1.7
79.05496	3.7
81.03383	0.4
81.07066	7.8
81.27017	0.4
83.08627	0.8
91.05482	6.6
93.06467	0.6
93.07045	8.3
95.04980	0.6
95.08613	9.4
98.21478	0.8
99.04449	0.5
103.05463	0.5
103.07349	0.4
105.07034	14.3
107.08603	9.1
109.06603	0.6
109.10182	2.3
115.05441	0.8
116.06251	1.0
117.07024	9.8
118.64359	0.5
119.08588	10.4
121.10149	4.1
128.06190	1.0
129.07039	2.9
130.07791	4.8
131.08574	37.4
133.10139	6.2
142.07791	0.7
143.08554	3.9
144.09363	4.4
145.10129	58.0
146.10938	2.2
147.11676	1.2
157.10138	5.7
158.10918	2.4
159.11699	44.4
160.12161	0.7
171.11633	2.5
172.12479	2.2
173.09804	0.5
173.13264	12.3
185.13164	0.6
186.14066	4.2
199.14867	1.2
201.16388	100.0
202.16698	1.4
210.92821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	3.1
53.46251	0.6
55.01880	3.9
55.05511	4.4
56.96536	0.9
57.07042	0.9
65.03933	0.6
67.05514	5.3
68.99763	0.8
69.03388	2.8
69.03721	0.7
69.07040	3.0
69.57961	5.0
72.04496	0.9
72.08105	1.7
73.02901	0.7
74.09722	5.6
77.03912	1.0
79.05498	20.3
81.03387	1.2
81.06651	0.6
81.07060	7.0
83.04933	1.3
83.08585	1.8
91.05485	16.5
93.07048	37.6
95.04986	8.5
95.08575	2.4
97.06550	3.9
98.21487	0.9
98.97587	3.5
100.07590	1.7
103.05431	2.8
105.03370	1.3
105.04487	2.2
105.06995	2.1
107.04914	3.1
107.08555	0.9
109.06469	1.0
111.04446	4.3
111.08070	4.1
115.05383	0.7
116.97240	4.7
116.98598	1.7
121.06508	43.1
123.04421	1.7
123.08074	14.7
125.02327	0.8
128.06180	2.3
129.07013	1.6
131.99535	1.0
134.99602	0.9
139.07544	33.3
140.04672	3.2
141.07021	4.1
141.07964	0.9
142.07745	1.2
143.08553	3.2
149.05977	16.3
152.96896	1.8
155.08601	0.8
156.09335	10.4
157.10098	1.3
157.13091	0.8
166.07703	1.0
167.07045	100.0
169.06477	0.9
171.11707	5.4
175.98518	3.1
181.10063	1.7
184.08815	2.6
185.08159	0.8
199.07602	1.4
199.11166	8.6
199.14900	1.8
199.18892	26.5
199.76683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
53.49211	4.4
55.01884	20.2
55.05516	29.1
56.96564	50.3
57.03426	15.0
57.07074	5.8
59.93108	5.0
61.02921	6.7
67.05513	37.8
69.03429	31.4
69.07066	8.9
71.04996	51.8
71.61002	5.9
73.02911	15.4
74.59769	3.7
76.80039	4.3
79.05497	14.0
81.03414	16.0
81.07061	18.5
83.04993	17.0
83.08640	6.6
84.08145	9.3
84.96039	6.9
85.02911	40.6
85.06541	14.2
87.04469	48.4
91.05482	37.2
93.07059	33.3
95.04959	20.1
95.08607	23.5
97.02898	20.7
98.01302	6.0
98.96997	7.0
98.97591	68.4
99.04471	8.7
99.97924	6.7
101.00774	5.5
101.02375	8.0
105.07047	30.7
107.08580	7.9
109.06535	6.8
109.10150	14.6
110.01250	6.5
110.97585	8.5
111.04440	9.8
111.08107	4.0
113.06027	26.1
115.03937	11.1
115.05444	7.2
116.98608	39.9
117.07041	15.8
118.96767	62.1
119.01810	15.4
119.08564	27.4
121.06519	7.1
121.10130	5.0
123.08086	36.8
125.09658	4.8
127.03915	8.0
127.52081	5.1
128.02303	20.2
128.98621	9.7
129.03850	12.8
129.05466	7.3
129.06993	13.3
131.08606	11.3
131.34622	4.3
132.02658	4.9
133.99072	10.3
134.99661	19.4
137.05995	6.3
137.09622	32.8
138.04420	6.2
141.05475	9.1
145.06493	15.7
145.10129	13.0
146.99634	10.5
147.08055	14.4
150.04398	12.5
150.95714	5.1
153.03096	5.6
154.96494	19.4
155.07050	8.2
155.08591	8.0
155.10667	6.8
157.06570	7.2
158.99629	20.0
159.11696	11.1
165.09129	29.2
166.53737	5.5
168.05692	5.3
169.06204	9.0
173.06049	10.3
173.09563	5.9
177.00702	24.6
177.98067	43.9
181.06223	9.0
183.08023	10.3
183.10167	13.8
201.05904	34.1
201.09129	26.1
201.11005	100.0
201.12733	13.4
201.16434	18.9
201.56110	8.3
215.05806	4.8
219.01865	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	198.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83315	0.3
58.13836	0.3
69.63106	0.3
69.84772	1.5
73.14566	0.2
76.56509	0.3
79.81686	0.3
101.00854	1.6
102.94352	0.3
105.69137	0.3
119.01931	2.8
120.95348	1.3
137.02928	0.4
138.96416	15.1
154.94113	0.4
156.97478	100.0
157.97533	1.3
158.97893	0.6
172.95209	0.4
174.98540	79.5
175.98645	1.5
176.98898	0.4
179.99030	1.5
180.97516	1.0
180.99173	0.6
189.00064	0.5
198.00099	0.8
198.18507	0.8
198.87608	0.3
198.98541	18.0
199.00108	0.7
216.99593	39.4
217.99741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0764
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
53.03936	2.6
53.37845	1.1
55.01857	4.6
55.05518	6.9
56.96333	1.9
56.96571	27.8
57.03437	9.6
57.07065	3.0
58.02946	2.5
58.99851	1.7
59.04997	2.2
60.08147	4.3
61.02930	7.1
65.03957	7.1
67.05506	2.8
68.05013	2.1
69.03435	12.1
69.07059	5.0
70.98112	4.0
70.99821	1.9
71.04960	2.6
71.59515	1.5
71.95268	1.9
72.04531	1.5
73.02920	15.4
79.05464	2.6
80.01364	4.5
81.03403	4.2
81.07063	3.1
82.01406	1.9
82.06574	2.9
83.04990	2.6
83.08624	3.3
84.96008	2.2
85.01372	1.3
85.02909	13.4
85.07657	2.5
91.05484	1.5
92.05007	10.4
93.03413	5.2
93.07050	1.3
95.04970	2.9
95.06099	19.0
96.01524	2.0
96.08099	1.9
97.02897	12.4
97.06529	1.7
97.10184	3.0
98.96999	1.9
98.97587	19.2
99.04487	3.6
100.02487	6.9
101.00888	6.3
102.00922	1.8
102.02343	2.1
103.02446	4.6
105.01978	1.2
109.02908	4.0
109.06511	1.6
110.06034	3.7
110.97588	10.0
111.04419	4.5
111.39512	1.4
112.03967	20.2
112.99103	2.7
113.00897	2.9
113.02364	1.4
113.96358	1.3
115.00672	2.0
115.02410	6.1
115.03162	2.1
116.98613	4.8
117.03973	2.4
118.03511	2.4
119.01881	15.8
120.02042	2.7
120.04472	32.0
121.01600	1.5
121.02823	2.6
121.06522	1.9
122.02200	1.5
123.04549	1.5
123.06803	4.3
124.07626	8.8
124.95477	7.1
127.02449	1.6
127.03883	5.0
128.02330	3.8
128.98592	5.1
129.03947	1.4
130.02870	2.8
131.00188	2.9
131.01884	5.9
132.01994	2.2
132.05069	2.9
133.01620	3.6
133.03441	5.7
134.06027	40.2
135.05019	1.9
136.03900	1.6
136.07564	3.9
138.03421	1.7
138.05484	9.9
138.06334	3.1
140.02321	2.7
140.04926	1.9
140.98593	1.3
141.03087	3.9
142.01117	2.3
142.96521	9.5
143.00197	2.1
143.01941	7.6
145.01620	2.0
145.03482	3.7
146.02338	1.8
146.99664	3.5
147.01387	3.3
147.03044	2.9
148.03911	21.0
151.06293	6.7
152.07074	89.0
153.05441	2.3
153.07346	1.6
154.02084	1.4
154.03470	2.5
154.13416	5.7
155.04713	1.7
156.97437	6.9
157.01581	1.8
157.03371	6.5
157.04562	1.7
157.97534	1.4
158.03642	1.4
158.99603	2.8
160.97606	3.3
161.01227	1.5
161.02948	10.6
162.03130	2.2
162.05508	17.2
165.04172	4.4
166.04955	1.9
170.03043	4.2
170.99699	2.0
171.05084	2.2
173.02939	4.3
174.03134	1.5
174.06197	1.6
174.98877	9.8
175.00575	2.4
175.02762	6.5
175.04526	7.8
175.06039	2.4
176.04742	1.4
179.99101	3.8
180.06566	89.1
185.02962	1.6
191.04015	1.5
193.00194	8.9
198.00298	2.5
198.02505	1.3
198.06000	4.8
198.07628	59.4
198.18539	100.0
198.98618	1.7
201.00644	1.8
203.04082	1.4
216.01839	1.5
216.99693	3.0
219.01860	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	197.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
54.75582	2.8
55.01865	6.5
55.05511	40.8
57.03435	3.4
57.07069	19.3
59.04995	2.7
65.03916	3.8
65.54831	2.7
67.05505	41.5
68.12213	2.2
69.03426	6.3
69.07065	30.4
69.40595	24.2
70.95867	23.3
71.01345	6.5
71.05000	6.5
71.08622	6.9
72.93773	10.2
79.05503	19.0
81.07060	84.0
83.04971	9.7
83.08624	36.5
85.06544	8.7
85.10168	4.5
88.96898	4.2
90.94848	3.5
91.05487	25.8
93.07047	19.9
95.04961	9.2
95.08607	79.7
97.06521	7.7
97.10177	26.2
98.20765	5.7
98.97556	3.2
99.04455	2.8
99.08076	7.3
105.07050	24.4
107.08598	41.1
109.06502	19.9
109.09450	4.2
109.10159	73.4
111.04430	3.4
111.08076	5.0
111.98463	20.7
113.09606	3.1
119.08569	8.6
121.06474	5.1
121.10172	7.1
121.31523	2.7
123.08081	3.6
123.11713	71.7
125.05978	4.2
125.09631	3.2
129.99512	7.7
130.90175	2.7
132.95854	37.7
133.02875	4.3
133.10127	40.9
135.11685	22.0
137.06004	23.5
137.09627	7.1
137.13252	26.5
141.07031	2.6
143.08557	2.8
150.96899	42.5
151.03902	6.3
151.11140	10.4
155.08553	12.2
155.10634	6.1
155.97414	28.0
156.09305	4.6
161.09642	16.2
161.13237	6.1
165.05482	7.6
167.08549	9.1
169.10149	13.3
173.98520	31.0
179.06987	2.7
179.10666	37.4
179.14262	5.9
179.17897	13.4
182.10892	12.4
197.00194	3.5
197.05911	2.8
197.07996	6.3
197.09686	6.2
197.11696	28.3
197.13272	27.3
197.18980	4.2
198.18542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.74003	1.1
54.68233	1.3
55.01866	2.0
55.05512	15.5
56.96551	3.7
57.03423	3.3
57.07076	8.8
61.02914	2.5
65.03941	1.5
67.05167	1.4
67.05504	15.0
69.03415	4.0
69.07074	10.4
70.34793	1.2
70.95865	9.6
71.01340	1.0
71.05007	2.1
71.08632	3.1
71.22283	2.1
72.93777	4.5
73.02899	3.5
77.41878	1.2
79.05482	9.4
81.03403	1.8
81.07056	30.7
83.04940	1.2
83.08606	10.4
85.06526	2.3
88.96869	1.6
91.05475	16.6
93.07049	19.7
95.04976	2.7
95.08604	30.2
97.02872	1.7
97.10178	10.1
98.97592	3.3
99.08101	3.1
105.06368	2.2
105.07029	31.1
107.04961	1.2
107.08593	100.0
108.08927	2.1
109.06493	4.7
109.09442	2.0
109.10152	29.9
111.98482	9.5
119.04964	3.3
119.08574	14.3
121.06477	3.8
121.10149	18.1
123.08063	3.1
123.11703	28.2
129.99538	3.6
131.08533	2.5
131.97346	1.2
132.95842	18.6
133.10133	61.5
135.11703	5.3
137.05997	5.8
137.09619	3.1
137.13226	10.7
139.07504	3.7
142.06482	2.6
143.05336	1.4
143.08578	2.4
149.09621	8.5
150.96869	17.8
151.07568	2.4
151.11176	18.0
153.57220	2.3
155.02715	1.2
155.97426	12.4
161.09621	17.2
162.57832	3.8
167.10675	27.0
170.15410	2.3
173.98500	12.0
176.03365	3.5
177.45216	1.4
179.10669	44.5
179.17921	5.5
185.03909	2.4
197.06126	1.3
197.09840	1.9
197.11725	54.1
197.13115	2.3
197.18958	2.2
198.18533	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	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28066	1.5
55.01863	2.1
55.05513	6.1
56.96564	1.5
57.03442	1.5
57.07069	1.8
59.04978	3.5
65.03923	3.1
67.05507	8.1
69.03423	3.6
69.07072	2.7
69.70614	3.4
69.71025	4.6
70.95861	16.2
72.93793	9.5
73.02924	3.6
73.33481	1.3
77.03902	1.4
79.05486	10.1
81.03420	1.9
81.07060	11.1
81.16238	1.4
83.04958	2.1
83.08598	2.3
88.96895	2.6
90.94820	1.7
91.05472	26.8
93.07044	25.2
94.54005	1.1
95.04965	11.0
95.08630	7.0
97.06513	2.2
98.20790	2.3
98.97607	3.9
99.04465	1.8
105.07020	39.8
105.97922	1.1
107.04945	3.1
107.08592	100.0
109.06516	11.9
109.10152	11.5
111.04449	1.4
111.08073	1.4
111.98471	13.4
113.06011	2.1
116.98610	1.6
117.07005	1.3
119.04932	3.0
119.06097	2.7
119.08569	11.2
121.06522	7.6
121.10109	1.8
123.04437	6.1
123.08074	2.4
123.11704	3.6
125.06003	4.5
129.99495	5.1
131.08566	2.7
132.95837	36.9
133.02899	2.5
133.06503	1.8
133.10127	84.1
135.08063	2.5
135.11691	51.1
137.02377	1.3
137.05954	15.3
137.09590	7.8
141.06967	1.5
143.08553	1.9
146.07225	2.6
147.04404	1.5
148.06328	1.2
149.07066	8.7
150.96887	31.3
151.03893	8.4
151.07568	2.0
151.11163	7.9
155.97423	20.0
161.09613	35.7
165.05418	2.2
165.06651	1.9
167.10704	2.7
173.98474	26.8
173.99883	2.2
176.03441	1.5
179.10666	98.1
182.10905	1.6
197.07864	2.5
197.11725	74.6
197.13133	2.9
198.18532	11.2
210.32903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03946	1.4
53.27027	0.7
55.01847	0.9
55.05502	3.6
55.27350	0.8
57.07067	1.0
59.04980	2.5
59.05247	0.7
65.03949	0.9
67.05498	6.4
67.54296	0.6
69.03419	2.6
69.07053	2.3
70.75365	2.1
70.95843	2.8
71.05004	0.9
71.06228	0.7
72.93795	1.4
73.02899	0.8
78.34533	0.6
79.05486	6.4
81.03416	4.2
81.07055	10.3
83.04994	1.3
85.02866	0.7
85.06539	0.9
89.49764	0.6
91.05480	22.6
93.07045	21.1
95.04980	10.4
95.08598	4.3
97.06549	1.5
98.97595	1.4
105.07030	27.6
107.04955	1.2
107.08593	56.2
109.06515	12.2
109.10147	12.3
111.98448	2.2
117.07057	1.1
118.07797	0.8
119.04932	3.3
119.08589	9.4
121.06519	6.1
121.10126	1.9
123.04431	4.5
123.08023	1.7
123.11733	3.8
125.06000	0.9
129.99530	0.9
131.08553	3.0
132.95811	5.1
133.06483	1.0
133.10126	60.4
135.08049	1.5
135.11690	45.8
137.05951	4.6
137.09610	10.1
141.05464	0.9
143.08583	1.2
146.07240	1.0
150.96907	5.4
151.11183	13.1
155.97426	3.1
161.09610	30.3
169.10164	0.9
173.98500	3.9
176.03343	1.0
179.10667	100.0
180.11047	1.5
197.11725	53.0
197.13138	2.5
198.18529	4.3
207.18324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03950	1.4
53.74076	0.8
55.01879	1.4
55.05512	3.4
56.96561	0.9
57.07069	0.9
59.04996	2.2
65.03943	1.4
67.05492	6.5
69.03429	1.3
69.07069	1.8
69.88302	3.6
70.95844	1.6
72.93780	1.4
73.02927	0.7
79.05498	7.9
81.07051	7.8
85.06561	1.4
91.05480	20.7
93.06458	1.4
93.07044	25.5
95.04959	7.5
95.08626	4.5
97.06554	1.0
98.97601	0.8
105.07030	31.0
107.08592	74.9
108.08910	1.1
109.06494	6.3
109.10155	6.9
111.98471	2.4
113.05999	1.1
115.05474	1.1
117.06972	1.1
118.07818	1.1
119.04938	2.1
119.06055	1.4
119.08573	9.0
121.06507	5.1
121.10194	1.7
123.04422	3.2
123.08034	1.3
123.11694	4.1
131.08562	3.2
132.95815	6.1
133.10126	73.8
134.10445	1.0
135.08070	1.9
135.11688	57.3
137.05956	3.9
137.09625	5.2
141.05421	1.0
143.08565	1.8
146.07289	1.7
150.96887	5.5
151.03822	0.9
151.11188	6.9
155.97420	4.2
161.09618	34.7
167.08604	0.9
167.10640	2.4
169.80557	0.7
173.98438	4.8
179.10669	100.0
180.11003	1.1
185.03893	0.9
197.11725	78.7
198.12096	1.2
198.18555	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	197.1173
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03942	1.5
55.01860	1.7
55.05502	2.8
56.96571	1.0
57.03428	1.6
57.07065	2.5
59.04988	1.6
67.05502	9.5
68.99780	2.1
69.03424	2.5
69.07064	4.7
70.84743	2.3
70.95866	6.5
71.04993	1.6
71.19173	0.8
72.93776	4.4
73.02925	1.9
79.05486	5.5
81.03429	1.2
81.07057	25.4
83.04977	1.1
83.08626	1.0
85.02892	1.6
87.34412	0.8
88.96899	1.0
91.05481	8.1
93.07039	8.0
95.04967	46.3
95.08606	17.4
97.02902	1.1
97.06542	1.9
98.97597	3.8
105.03381	0.9
105.07034	9.0
107.04963	1.8
107.08596	37.1
108.05254	0.8
109.06520	13.1
109.10156	27.2
109.10909	1.3
110.97530	1.0
111.04430	3.7
111.98463	6.4
119.01826	1.2
119.08583	3.4
121.06490	3.8
121.10126	2.2
123.04453	1.6
123.08102	5.6
123.11708	45.1
123.23243	0.8
125.05950	1.6
129.99504	2.0
131.08598	1.0
132.95824	13.4
133.02840	1.2
133.10129	20.1
135.08018	2.0
135.11694	8.2
137.05980	6.6
137.09615	31.5
138.06769	1.0
141.07005	0.9
149.13449	0.9
150.96890	13.8
151.03931	1.8
151.07529	4.0
151.09940	1.2
151.11183	23.4
155.08537	1.8
155.97444	6.9
161.09621	9.0
165.05475	2.0
167.07059	1.0
169.04585	2.3
169.10085	1.8
169.12218	1.0
173.98499	8.8
176.03346	2.3
177.00780	1.0
179.10674	100.0
182.10846	1.5
185.03839	1.6
197.07704	5.8
197.09715	1.3
197.11714	16.6
197.13318	4.5
198.18541	7.2
215.98344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03930	0.9
55.01865	1.9
55.05496	2.7
56.96558	1.7
57.03429	1.1
57.07000	0.9
59.04987	1.0
61.02900	1.0
65.03919	1.2
67.05489	2.5
69.03412	3.2
70.95866	4.8
71.04972	1.3
71.40899	1.4
72.93779	2.5
73.02913	2.6
77.25708	0.9
77.79903	0.8
79.05489	5.4
81.03426	1.2
81.07056	5.5
83.04948	1.3
84.95985	0.8
85.02909	1.1
91.05479	12.9
93.07047	12.6
95.04963	3.8
95.08599	3.1
97.02891	3.5
98.97581	6.9
99.04456	0.8
104.01315	1.3
105.07030	22.1
107.08596	100.0
109.06524	5.3
109.10146	6.6
110.97548	1.2
111.98504	6.3
115.03918	1.0
116.98632	1.4
117.07115	1.1
119.01802	2.2
119.04967	1.4
119.06071	1.7
119.08585	7.3
121.06502	2.8
121.10177	5.2
123.01962	0.8
123.08074	1.7
123.11702	2.6
125.05917	1.1
128.98608	1.1
129.99544	1.7
131.08543	2.0
132.95848	14.6
133.02893	1.0
133.06479	1.0
133.10132	59.0
135.11708	12.5
137.05972	4.5
137.09546	4.2
139.07559	1.1
140.02316	1.5
143.08548	1.9
146.02301	1.1
146.07298	1.4
149.09578	2.8
150.96880	10.8
151.07541	2.5
151.10112	1.0
151.11197	10.6
155.02882	0.9
155.07024	0.9
155.08501	1.7
155.97414	6.6
158.99655	2.3
161.09610	16.3
165.05470	1.7
167.10695	8.6
169.06462	1.0
169.10109	1.5
173.98499	8.0
176.03380	7.9
176.53551	1.1
177.00714	1.4
179.07045	1.2
179.10675	31.5
182.10962	1.1
185.03853	4.8
189.00722	1.2
197.11731	54.5
197.13148	2.4
198.18509	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03921	1.2
55.01859	2.4
55.05497	2.9
57.07067	1.5
59.04990	2.9
67.05506	4.8
69.03410	1.5
69.07049	1.4
70.95852	2.0
71.21018	1.6
73.02901	0.9
76.70252	0.8
79.05484	6.1
81.07069	6.5
83.04973	1.5
85.06540	1.2
91.04958	1.3
91.05486	19.7
93.07048	24.8
95.04527	0.8
95.04976	8.3
95.08588	3.3
105.07030	31.3
107.08597	67.6
109.06541	5.3
109.10147	6.5
111.98436	1.9
113.05974	1.2
119.04964	1.5
119.06055	1.6
119.08569	9.6
120.09343	1.1
120.11379	0.9
121.06510	6.2
121.10150	0.9
123.04453	4.4
123.08022	1.2
123.11708	3.7
131.08571	2.8
132.95831	2.7
133.06464	1.1
133.10133	69.8
135.08073	1.7
135.11699	52.6
137.06026	4.3
137.09584	4.5
143.08594	1.5
146.07289	1.5
147.04440	2.8
150.96877	2.9
151.03859	2.0
151.07576	1.6
151.11176	5.6
155.97458	2.6
161.09618	36.9
166.62683	0.8
171.57666	0.9
173.98471	2.4
179.10675	100.0
180.10980	1.0
197.11736	64.6
198.18573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.7
57.03432	0.9
65.03922	0.4
69.03413	1.2
70.72741	1.4
70.95863	3.7
72.93772	1.6
73.02921	2.3
74.45261	0.4
77.59480	0.4
79.05479	0.8
81.07037	0.9
91.05465	1.6
91.12360	0.4
94.06539	0.8
95.04931	0.5
97.02867	0.8
98.97581	5.1
105.03375	0.8
105.07020	0.9
107.04952	0.8
107.08594	0.9
109.06506	0.9
110.06087	1.9
111.98472	3.5
115.03957	0.5
116.98579	0.9
119.01847	0.5
119.06063	17.1
121.07609	0.8
122.06065	0.5
122.06881	0.4
129.99515	1.2
132.95834	6.5
133.02840	1.3
133.10114	1.2
134.28705	0.5
135.11693	0.8
137.05977	1.5
137.07079	1.2
138.05495	1.7
138.07858	0.5
141.12421	0.4
147.05524	2.9
148.03883	1.2
148.06314	20.8
149.04710	3.4
149.07098	100.0
150.05475	1.1
150.96890	4.9
151.03880	1.0
152.04741	0.5
155.67044	0.4
155.97404	3.5
158.99704	1.6
165.06601	36.9
166.07387	11.4
173.98489	3.8
177.00691	1.4
179.10654	1.2
182.05757	2.8
197.09225	39.4
198.18474	1.2
208.61577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03941	0.7
55.01863	1.4
55.05502	1.3
57.03423	0.7
57.07048	0.6
59.04996	0.9
61.02948	0.7
67.05494	3.9
69.03415	1.8
69.88611	3.4
70.95870	3.0
71.04984	0.9
72.93797	1.1
73.02911	1.1
74.56426	0.7
77.03882	0.6
79.05495	6.4
81.07053	8.1
81.15493	0.6
83.08627	0.7
85.06564	0.9
87.04431	0.6
91.05476	14.1
93.06454	1.3
93.07038	20.0
95.04959	1.7
95.08614	4.8
95.97615	0.6
97.02883	1.1
97.06528	1.6
99.04475	0.7
105.03389	0.6
105.07029	28.9
107.08590	100.0
109.06481	3.5
109.10162	4.4
110.97606	0.8
111.98470	3.0
119.04929	1.9
119.06041	0.8
119.08577	14.5
121.06484	2.1
121.10145	19.3
123.08068	2.1
123.11710	3.5
125.09612	1.9
128.06233	1.2
129.99506	0.8
131.08592	3.1
132.95837	6.9
133.06474	1.5
133.10126	59.8
135.11662	2.5
137.05956	3.8
137.09595	2.9
139.07570	3.2
143.08546	2.8
146.07253	1.1
149.09615	12.0
150.96898	5.0
151.07494	3.3
151.11180	16.8
155.97409	2.6
156.56709	0.7
161.09616	17.1
167.10669	29.0
173.98482	5.1
176.03355	1.1
179.10663	41.2
182.82741	0.6
197.11725	59.2
198.11958	0.9
198.18495	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
51.02384	0.9
53.03951	3.3
54.65649	0.6
55.01886	2.9
56.96562	1.6
65.03946	3.4
67.05504	0.8
69.03451	0.7
70.95863	8.5
71.17325	0.9
71.17664	0.9
72.93791	5.2
73.02934	0.6
73.74619	0.5
77.03929	5.7
79.05498	10.0
80.32326	0.6
81.07063	8.0
88.96904	1.4
90.94867	0.9
91.05482	37.4
94.04198	8.2
95.04956	5.5
95.08602	1.1
98.97581	1.6
105.03400	24.3
105.04477	1.1
105.07030	1.1
107.04962	5.1
107.08630	1.8
109.02882	0.8
109.06524	27.8
111.04476	0.7
111.98473	8.2
113.96445	0.7
116.98581	1.0
118.92121	0.6
119.04951	11.6
119.06111	0.9
121.02883	8.4
122.03679	9.6
123.04429	1.3
124.99158	1.4
129.99512	1.7
132.95851	15.6
133.02856	100.0
133.10152	1.8
135.04411	4.9
136.93126	1.9
137.05980	70.1
143.00171	1.9
147.04419	2.5
150.96898	15.4
151.03867	0.8
153.05478	2.4
154.06239	0.8
154.94153	3.2
155.97433	12.4
163.03851	0.6
165.05486	35.0
167.07062	2.9
172.95271	3.0
173.98495	13.0
173.99884	1.0
179.10677	2.4
185.01250	1.1
190.96358	0.7
196.91895	1.0
197.06165	0.9
197.08069	2.4
197.11720	1.4
198.07649	0.9
198.18564	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03934	0.7
54.30714	0.3
55.01873	2.9
55.05492	0.5
56.96560	1.1
57.03430	0.7
65.03932	2.0
67.05496	2.5
69.03425	1.1
69.07069	0.4
70.22075	1.4
70.95865	4.9
71.05016	0.3
71.46086	0.3
72.93780	2.9
73.02917	19.7
77.03941	0.3
79.05486	0.9
81.03413	0.5
81.07039	1.0
85.02900	1.1
85.26463	0.3
87.94051	0.3
88.96894	0.4
90.94842	0.7
91.05475	4.0
93.03397	1.2
93.07030	0.7
95.01295	0.5
95.04967	1.6
97.02895	1.4
98.97572	2.1
105.03452	0.3
105.07039	0.9
107.04932	0.8
107.08588	1.7
108.02088	1.6
109.02853	0.5
109.06507	1.3
110.03668	2.4
111.04457	2.1
111.98481	4.5
113.96410	0.6
118.79226	0.3
119.01881	0.7
119.04961	1.9
119.08578	0.5
123.04443	0.8
123.08060	0.4
125.05991	14.3
128.02431	0.3
128.98662	0.5
129.99522	1.5
131.01813	0.3
132.95837	7.8
133.02852	0.8
133.10117	1.5
135.11670	0.7
136.01598	0.4
137.02303	0.5
137.05971	2.3
137.09637	0.6
138.06691	0.3
141.05481	2.4
141.06970	0.4
142.82463	0.3
146.02208	0.4
149.05974	3.6
149.07104	0.5
150.96892	8.5
151.03908	100.0
151.05005	8.2
151.07413	3.3
152.04253	0.5
155.02846	0.5
155.97423	4.3
158.99657	0.9
161.09647	0.5
165.05495	0.4
167.02940	0.4
173.98489	6.2
175.42476	0.3
176.03403	1.1
177.00685	0.3
179.05473	0.7
179.07027	16.1
179.10674	1.4
185.03969	0.9
197.06317	0.5
197.08112	4.4
197.09534	0.5
197.11606	1.5
198.18532	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01863	2.3
55.05505	0.6
55.93536	0.4
56.96565	0.5
57.03442	0.4
57.07043	0.3
65.03941	2.0
67.05502	2.1
68.99789	0.3
69.03416	0.9
70.95873	3.2
71.04987	0.6
71.44894	0.6
72.93795	1.9
73.02917	20.0
75.18785	0.3
77.03935	0.3
78.80717	0.3
79.05483	0.7
81.07058	0.8
85.02896	0.5
88.05316	0.3
90.48452	0.3
90.94817	0.3
91.05479	3.9
93.03403	1.2
93.07051	0.7
95.04958	1.3
95.08615	0.7
98.97579	1.3
99.04441	0.4
105.07043	1.0
107.08592	4.2
108.02120	2.4
108.02748	0.4
109.02856	0.7
109.06521	1.1
109.10162	0.5
110.03635	2.5
111.04475	1.9
111.98481	3.1
112.01585	0.5
113.96399	0.5
116.98649	0.4
119.04952	2.2
119.06075	2.0
119.08547	0.7
121.02827	0.4
121.03954	0.3
123.08081	0.5
125.05994	15.3
129.99512	1.1
130.91728	0.3
132.95839	5.2
133.02855	0.5
133.10123	3.1
135.11697	1.2
136.01591	0.5
137.05962	2.5
137.09624	0.6
139.03828	0.4
141.05486	2.5
141.07001	1.2
147.04420	0.5
148.06335	2.5
149.05977	2.5
149.07114	11.3
150.96895	5.3
151.03911	100.0
151.05000	8.4
151.07440	3.9
152.04327	0.5
153.78355	0.3
155.97432	3.6
156.65717	0.3
158.99751	0.5
161.09642	1.3
165.05325	0.6
165.06599	4.6
166.07391	1.6
168.05714	1.2
169.06413	0.7
169.10133	0.8
173.98491	4.2
176.03391	0.4
177.00801	0.4
179.07042	19.4
179.10535	1.7
182.05742	1.4
197.06097	0.8
197.08055	4.3
197.09384	4.3
197.11749	2.0
197.13176	0.6
198.18565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01855	4.7
55.05500	2.2
55.93520	1.8
56.96566	75.7
57.03437	21.5
59.04996	1.4
61.02934	6.8
63.42560	1.1
65.03923	4.1
67.05490	4.3
68.00227	1.1
69.03069	1.3
69.03433	15.6
70.44112	4.0
70.95500	1.9
70.95866	27.0
71.05003	1.7
71.95245	3.4
72.93790	13.0
73.02917	100.0
74.03254	1.8
74.97590	1.7
77.03893	1.7
79.05481	7.2
80.00202	1.1
81.03415	20.2
81.07033	4.8
82.04186	1.4
83.00823	1.5
83.04965	3.7
84.96026	8.1
85.02905	9.2
86.03667	4.0
87.04458	2.5
88.96922	2.8
89.00806	1.5
90.94837	2.9
91.05486	11.5
93.07034	2.3
94.04171	2.6
95.04968	5.9
96.01528	1.6
97.02891	16.5
97.96806	3.7
98.01278	2.0
98.97589	51.8
98.98320	1.8
98.98452	2.3
99.04419	2.3
100.02454	1.2
101.00880	6.6
103.05466	2.0
105.03397	2.8
105.06995	2.8
107.04955	22.4
107.08591	2.8
109.02120	2.0
109.02880	51.3
109.06528	13.4
110.01236	4.5
110.03674	53.5
110.97578	58.8
111.04487	8.8
111.98485	24.7
112.99113	4.5
113.00850	3.1
113.05972	1.2
113.96370	2.5
114.94785	2.2
115.02393	2.7
115.03944	2.7
115.97823	3.4
116.98621	18.2
118.92060	3.8
119.01884	15.0
119.04964	6.8
121.06451	1.8
122.03686	1.4
123.02059	3.2
123.04433	8.8
124.99095	3.3
126.01403	1.1
127.02354	2.1
127.03922	2.7
128.01367	1.6
128.02289	5.8
128.98615	61.2
129.02014	3.1
129.99588	7.6
131.00153	4.8
131.01894	9.3
131.04941	2.6
132.05038	2.9
132.95837	43.9
133.02763	11.0
133.06508	1.6
133.10136	2.1
134.06003	4.5
134.99649	5.2
135.04373	31.9
135.11687	2.5
136.02802	3.3
136.04720	2.4
136.93106	13.8
136.99075	2.5
137.02350	1.1
137.05975	25.2
138.02522	1.8
140.04956	3.9
140.51624	2.2
141.02022	5.6
141.52319	2.1
141.99385	2.6
143.00157	8.4
143.01877	4.9
144.02541	1.6
144.98094	3.5
145.03410	4.5
146.99655	25.9
147.02036	3.7
147.04375	14.3
148.04848	2.5
149.01198	1.5
149.02901	1.6
149.05988	3.3
150.02596	5.4
150.52835	1.2
150.96889	46.3
151.03860	2.5
151.07568	1.7
152.07072	10.1
152.98604	2.4
154.90779	2.1
154.94150	21.8
155.00154	5.1
155.01881	4.8
155.96191	2.0
155.97429	33.5
156.02599	9.5
156.97446	5.4
157.03209	1.6
158.99660	3.5
159.03078	2.2
159.05020	3.7
161.01233	3.1
161.02942	5.4
161.06021	1.3
161.09685	1.5
162.05444	1.4
162.99245	1.5
163.04358	2.1
164.98456	1.1
165.00902	2.1
165.03096	49.3
165.05293	10.9
165.53278	5.8
165.99316	2.7
167.00143	1.9
169.09778	2.1
170.99573	4.0
171.05019	6.3
172.95236	28.1
173.01221	4.9
173.02930	5.7
173.06419	1.2
173.98506	39.3
174.03629	71.0
174.06120	5.1
174.53778	7.5
174.99214	7.2
176.53900	2.2
177.00725	2.7
177.04091	1.8
177.05505	3.4
179.06987	1.8
179.10654	4.3
179.99074	1.4
180.97969	1.2
181.01706	1.9
182.99631	2.4
183.04152	10.8
184.00462	5.6
185.01186	4.0
185.06703	1.3
185.54431	3.0
189.00676	2.1
189.05927	3.4
190.96323	11.3
191.00029	1.2
192.04132	1.9
192.07037	1.6
193.00259	7.7
194.99689	1.8
196.91855	2.7
197.02908	1.8
197.04532	2.5
197.06342	1.2
197.09525	4.7
197.11665	2.5
198.07550	1.4
198.18533	6.2
198.99028	3.0
199.02728	2.1
201.00638	2.1
202.01497	2.0
203.02261	1.8
208.00372	2.7
209.01274	8.2
213.00664	4.4
215.02020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03946	0.8
55.01864	0.9
55.05510	4.8
57.03438	0.5
57.07077	10.1
65.03928	0.7
67.05503	5.6
69.03439	1.7
69.04556	2.3
69.07066	11.6
69.48664	2.2
69.49074	1.4
71.04989	0.9
71.08625	0.9
71.68599	0.5
79.05495	7.5
79.33294	0.5
81.07056	26.9
83.04997	1.0
83.06101	2.1
83.08624	7.9
85.02888	0.7
85.06567	1.2
88.38928	0.6
91.05476	4.5
93.03402	0.5
93.07046	12.6
94.08898	0.5
95.04950	1.3
95.08607	44.0
97.06514	1.3
97.10191	2.3
98.21458	1.0
98.58920	0.5
99.08096	1.2
103.05481	1.0
105.07052	3.2
107.04960	9.9
107.08595	27.2
109.06506	1.0
109.10153	12.2
110.07174	10.1
111.04423	0.9
111.05573	0.8
111.08079	3.0
115.05446	0.6
117.03373	1.0
119.08566	1.1
121.06463	1.0
121.10141	41.6
123.04317	1.0
123.08028	1.3
123.11706	9.1
125.09637	3.8
127.73007	0.5
131.08563	1.2
133.06480	0.6
133.07626	0.6
133.10141	0.9
135.04405	1.8
135.08118	2.6
135.11702	16.2
137.13254	100.0
138.06622	44.4
138.13556	0.7
139.11157	2.1
141.57237	0.5
145.02805	1.8
145.03900	0.6
149.05995	1.2
149.09631	0.9
149.13255	4.8
151.14786	0.8
153.05478	1.1
154.06317	0.6
159.11681	1.0
163.03961	2.8
163.07602	2.9
165.07008	0.9
167.07066	2.8
167.08228	0.5
177.05443	1.4
177.09097	1.4
177.13051	0.9
177.16382	42.4
178.16617	0.6
180.07884	0.6
180.09290	0.6
195.02885	1.6
195.08765	65.9
195.13731	2.1
195.17438	41.2
195.67827	0.5
196.09084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03939	1.1
54.99778	0.6
55.01870	3.3
55.05258	0.8
55.05510	14.0
56.05037	1.2
56.96560	1.1
57.03438	4.3
57.07072	4.7
59.04989	0.7
59.55786	0.5
65.03936	1.6
67.05496	5.0
68.99776	2.5
69.03426	6.5
69.04539	4.2
69.07066	38.0
69.35081	0.5
70.59878	0.5
70.95060	1.6
71.04977	1.9
71.08601	0.7
73.06548	1.9
79.05488	8.0
79.70866	0.7
81.06576	0.8
81.07056	15.4
83.04988	5.5
83.06087	3.3
83.08615	7.6
85.06525	2.0
85.10165	1.9
89.03889	0.8
89.06013	0.7
91.05464	4.9
93.03406	2.6
93.07039	13.4
95.04962	2.6
95.08602	17.5
97.06540	6.5
97.10171	6.6
99.08073	2.1
103.05462	1.3
105.07023	3.8
105.96031	0.6
107.04272	1.0
107.04955	12.9
107.08592	16.7
108.05688	0.7
109.04000	1.4
109.06510	1.4
109.10137	5.4
110.07162	13.4
111.04440	2.8
111.05574	0.8
111.08073	9.9
111.11704	2.3
117.03391	0.8
117.07011	1.2
119.08554	1.4
120.05642	0.7
121.06494	1.6
121.10134	19.7
121.86369	0.6
123.04327	1.7
123.11716	3.6
125.06001	3.2
125.09628	14.5
130.96243	0.9
133.02837	0.8
133.10121	1.2
135.04381	2.6
135.08087	2.7
135.11685	12.8
137.05969	1.0
137.13237	4.4
138.06622	66.8
139.11177	11.1
145.02812	1.3
149.05959	1.6
149.09622	1.3
149.13255	2.4
151.07561	1.0
151.14822	1.1
153.05466	6.1
153.09111	4.8
153.12724	0.7
154.06244	1.1
159.11749	1.2
163.03909	3.9
163.07544	2.5
165.05540	1.1
165.06969	1.3
167.07040	3.5
167.08345	0.7
177.05507	2.6
177.12733	1.9
177.16402	10.9
180.09274	1.3
185.10121	0.6
195.02963	2.7
195.08762	100.0
195.13759	2.1
195.17427	14.2
196.09044	0.7
202.67979	0.6
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	Geranylacetone
Peak:m/z	Relative Intensity
53.03938	3.3
55.01862	5.9
55.05513	40.2
56.96561	3.8
57.03431	9.7
57.07080	12.2
59.04992	2.1
67.05501	11.5
68.00813	1.3
69.03433	13.3
69.04536	3.4
69.07071	100.0
69.26328	16.9
70.11333	1.5
71.04970	4.5
71.08633	1.7
73.06546	4.0
79.05495	12.5
81.07060	32.5
83.04968	10.1
83.06110	2.4
83.08616	23.7
85.06524	3.1
91.05473	9.0
93.07053	26.8
95.04968	2.8
95.08031	2.6
95.08609	35.7
97.06546	10.7
97.09718	1.3
97.10177	16.3
99.08078	3.2
103.05457	2.8
105.07004	6.5
107.04287	2.0
107.04965	28.7
107.08595	41.2
107.42612	1.5
109.06516	1.6
109.10162	15.2
110.07164	12.8
111.07380	1.4
111.08089	23.5
111.11678	4.6
113.09621	1.7
115.05451	2.2
117.03344	1.8
117.07005	2.4
119.04924	1.6
119.08541	2.2
121.06529	2.4
121.09311	3.1
121.10151	53.4
123.08042	1.7
123.11709	12.0
125.08730	3.0
125.09625	35.3
135.04436	2.1
135.08051	7.3
135.11703	23.3
137.13258	19.7
138.06627	52.8
139.11168	28.5
145.02811	2.6
145.38356	1.4
149.05891	1.6
149.13194	3.6
151.07489	4.9
151.14790	3.6
153.12741	4.1
163.03917	3.0
163.07527	7.3
167.07018	7.0
176.85483	1.4
177.05421	3.9
177.12802	1.9
177.16406	25.9
195.02905	2.7
195.08752	81.0
195.10199	5.8
195.13733	1.8
195.17448	32.5
196.09126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03954	1.1
55.01868	0.9
55.05507	7.3
56.96579	0.8
57.07073	11.4
65.03949	1.0
66.00848	0.6
67.05509	5.8
69.03438	2.3
69.04563	1.2
69.07067	12.6
69.80544	1.3
69.80945	2.7
71.04998	1.2
71.08646	1.0
77.03908	1.0
79.05489	8.4
81.07053	27.4
83.04992	1.1
83.06124	1.0
83.08617	9.6
85.06560	1.7
86.41936	0.6
89.03913	0.7
91.05473	4.8
93.07040	13.5
95.04996	1.1
95.08604	47.4
97.06532	1.3
97.10163	3.0
99.08099	3.7
103.05487	2.1
105.07034	4.4
107.04951	14.3
107.08591	31.6
109.06532	2.2
109.10152	12.4
110.07160	5.8
110.09482	0.7
111.08080	3.4
115.05438	1.2
119.08595	0.9
120.05675	0.6
121.06499	0.8
121.10136	47.9
123.11703	9.3
125.09631	5.5
133.07693	0.6
133.10100	1.2
135.08054	4.4
135.11690	15.2
135.12698	1.1
137.13252	100.0
138.06625	25.5
139.11156	2.9
146.74495	0.7
149.13249	4.0
151.14801	1.3
154.06258	1.2
159.11642	1.2
163.03865	0.9
163.07542	4.2
167.07024	4.4
172.51524	0.6
177.05487	0.9
177.12927	1.3
177.16382	45.7
180.07805	1.0
180.34027	0.6
195.08739	37.0
195.10225	3.4
195.17441	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	195.1744
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
55.05512	6.6
57.07077	9.8
58.94795	0.8
67.05511	5.4
69.03426	1.1
69.06783	0.7
69.07079	9.2
71.05247	1.4
71.08649	0.7
77.03953	0.7
79.05491	6.3
81.07062	21.9
83.06077	0.9
83.08628	8.3
91.05473	4.5
92.91554	0.7
93.07047	12.4
95.08613	41.9
97.06531	1.5
97.10170	3.9
105.00786	1.2
105.07029	2.8
107.04961	5.3
107.08600	25.5
109.02845	0.8
109.06537	1.2
109.10155	12.2
110.07178	4.1
111.08054	2.4
111.11739	1.0
119.08604	1.4
121.10145	37.7
121.11025	1.8
123.11712	8.4
125.09643	4.5
135.04413	0.9
135.08026	2.0
135.11681	14.1
137.13261	100.0
138.06639	16.8
139.11121	2.0
149.13303	5.0
151.07523	2.6
159.80089	0.8
163.07536	1.6
167.07059	2.0
177.16402	40.7
195.02856	1.4
195.08775	27.5
195.11554	1.1
195.17448	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01881	1.0
55.05514	6.6
57.03445	0.7
57.07073	11.0
59.05009	0.9
67.05504	5.7
68.14084	0.4
69.03452	1.6
69.04559	2.1
69.07067	11.6
69.07451	0.7
69.37652	4.6
71.05003	1.5
71.08617	1.2
79.05495	6.7
81.07053	25.2
83.04970	0.6
83.06107	1.4
83.08624	9.4
85.06554	1.9
91.05475	4.8
93.07046	14.2
95.04970	1.7
95.08604	46.1
97.06528	1.4
97.10168	2.9
99.08076	2.9
103.05463	1.6
105.07051	3.9
107.04955	11.7
107.08592	28.6
109.06492	2.5
109.10152	12.3
109.10912	0.7
110.07175	5.7
111.08078	2.8
111.11714	1.1
113.09628	0.9
115.05466	1.1
117.03408	0.5
117.07047	0.7
119.08604	1.5
121.06512	1.5
121.10143	42.4
123.04367	0.7
123.08090	0.7
123.11700	10.1
125.06033	0.7
125.09619	4.3
131.08606	0.6
133.10136	0.8
135.04456	0.7
135.08060	3.5
135.11690	16.0
137.13252	100.0
138.06624	29.3
138.07738	0.7
138.13580	0.5
139.11205	2.3
141.00507	0.5
149.06004	0.7
149.09634	0.7
149.13266	5.2
151.14824	1.2
153.05452	0.6
154.06270	0.7
159.11693	1.1
163.03932	1.0
163.07567	3.9
167.07022	3.8
177.05482	1.6
177.12952	1.1
177.16385	43.4
180.07762	0.6
195.08755	44.7
195.13765	1.9
195.17442	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	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01881	1.0
55.05514	6.6
57.03445	0.7
57.07073	11.0
59.05009	0.9
67.05504	5.7
68.14084	0.4
69.03452	1.6
69.04559	2.1
69.07067	11.6
69.07451	0.7
69.37652	4.6
71.05003	1.5
71.08617	1.2
79.05495	6.7
81.07053	25.2
83.04970	0.6
83.06107	1.4
83.08624	9.4
85.06554	1.9
91.05475	4.8
93.07046	14.2
95.04970	1.7
95.08604	46.1
97.06528	1.4
97.10168	2.9
99.08076	2.9
103.05463	1.6
105.07051	3.9
107.04955	11.7
107.08592	28.6
109.06492	2.5
109.10152	12.3
109.10912	0.7
110.07175	5.7
111.08078	2.8
111.11714	1.1
113.09628	0.9
115.05466	1.1
117.03408	0.5
117.07047	0.7
119.08604	1.5
121.06512	1.5
121.10143	42.4
123.04367	0.7
123.08090	0.7
123.11700	10.1
125.06033	0.7
125.09619	4.3
131.08606	0.6
133.10136	0.8
135.04456	0.7
135.08060	3.5
135.11690	16.0
137.13252	100.0
138.06624	29.3
138.07738	0.7
138.13580	0.5
139.11205	2.3
141.00507	0.5
149.06004	0.7
149.09634	0.7
149.13266	5.2
151.14824	1.2
153.05452	0.6
154.06270	0.7
159.11693	1.1
163.03932	1.0
163.07567	3.9
167.07022	3.8
177.05482	1.6
177.12952	1.1
177.16385	43.4
180.07762	0.6
195.08755	44.7
195.13765	1.9
195.17442	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.21959	1.2
50.48853	1.1
53.03948	3.2
54.02670	1.0
54.48520	1.0
55.01873	6.0
55.05256	1.5
55.05510	23.6
56.96571	5.7
57.03409	2.1
57.07081	6.9
59.05001	1.7
65.03939	2.0
67.05506	19.8
69.03426	13.7
69.04539	4.1
69.07072	46.1
69.34389	11.0
71.04991	9.6
71.08614	2.2
77.03920	1.3
79.05052	1.8
79.05493	31.3
81.03390	1.3
81.07056	47.5
83.04977	2.9
83.06089	2.7
83.08624	19.8
85.02898	2.0
85.06526	10.0
85.10159	1.3
87.04478	1.9
89.03901	2.2
91.05483	15.7
93.03397	1.8
93.06471	1.8
93.07049	40.9
95.04955	4.3
95.08611	70.8
97.02866	1.9
97.06496	4.5
97.10149	8.3
98.97588	7.4
99.08094	53.8
103.05493	7.3
105.07030	15.4
107.04958	64.7
107.08597	60.1
109.03968	1.5
109.06482	3.6
109.10164	17.0
110.07178	10.9
111.08088	14.1
111.11703	4.2
113.09626	6.3
115.05470	5.5
117.03384	2.8
117.07013	3.9
119.01794	3.1
119.08566	4.0
120.05698	3.6
121.02814	1.1
121.06534	6.0
121.10147	79.9
123.04385	2.8
123.08099	1.5
123.11704	5.8
124.05216	1.5
125.06004	2.2
125.08736	2.4
125.09632	34.6
127.11219	1.1
128.02324	1.8
131.04942	1.2
131.08549	5.2
133.10152	5.7
135.04436	2.1
135.07108	1.3
135.08061	19.6
135.11693	32.8
137.02863	1.3
137.13246	20.6
138.06628	71.8
139.03883	1.4
139.11145	4.9
145.02824	3.6
149.06001	2.4
149.09630	1.7
149.13249	8.3
151.14882	1.6
153.05438	2.6
154.06244	3.4
158.99655	2.7
159.11688	7.1
163.03836	1.6
163.07549	21.3
165.05429	1.3
167.07056	21.0
174.07176	1.4
177.00607	1.6
177.05463	5.8
177.09024	1.2
177.12843	12.6
177.16388	92.2
180.07805	5.1
181.80960	1.1
188.08571	1.1
192.06543	1.4
195.02969	2.4
195.08745	100.0
195.10245	15.0
195.13739	7.6
195.15718	2.0
195.17450	19.5
196.08995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.32073	0.7
53.03932	2.3
53.49511	0.6
53.50724	0.7
55.01858	2.5
55.05264	0.7
55.05510	9.3
56.05035	0.9
56.96541	1.8
57.03418	2.0
57.07075	1.1
65.03926	1.5
67.05508	26.4
69.03416	2.2
69.04561	4.3
69.07071	10.4
70.72089	1.8
71.01328	1.0
71.05000	3.7
79.05492	21.9
81.03426	5.9
81.07059	40.2
83.04988	7.9
83.06078	3.0
83.08614	4.8
85.02894	1.6
85.06499	2.1
89.06038	0.7
91.05485	20.9
93.07046	26.8
95.04965	3.6
95.08604	16.6
97.06530	5.3
97.99198	0.7
99.08088	1.1
103.05468	0.8
105.07046	7.0
107.04961	7.2
107.08598	17.2
109.04027	0.9
109.06518	1.7
109.10142	1.9
110.07162	12.6
111.04394	1.1
111.05510	1.0
111.08063	2.4
113.09646	0.7
115.05443	1.0
117.07022	7.1
119.04941	0.8
119.08551	1.6
121.06490	1.9
121.10140	5.5
123.04305	1.9
123.11717	1.4
125.05920	0.9
129.06995	0.8
130.96281	0.7
131.08583	6.5
133.10136	12.1
135.04395	1.3
135.08078	3.9
135.10687	0.8
135.11694	15.7
137.13321	1.2
138.06625	66.4
139.11166	1.1
144.09265	0.8
145.02899	0.8
148.19162	0.6
148.97237	0.7
149.05943	1.2
149.09601	1.0
149.13266	9.0
151.11153	2.8
153.09145	0.7
153.38448	0.7
159.11682	7.2
163.03896	2.4
163.07538	1.5
165.06975	1.1
167.07050	1.3
177.05487	2.5
177.09071	1.9
177.12756	6.3
177.16351	2.1
178.31754	0.7
180.06628	0.7
180.09262	1.0
195.02942	5.0
195.08751	100.0
195.10208	8.5
195.13712	9.4
195.15585	1.0
195.17467	1.8
196.08971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	0.8
53.91164	0.5
55.05511	5.4
56.05032	0.8
56.34954	0.6
56.96577	2.7
56.96803	0.7
57.07071	3.0
63.48137	0.6
65.03940	1.5
66.19451	0.5
67.05502	5.2
68.96335	1.0
69.04546	3.9
69.06780	0.8
69.07072	8.5
71.04993	3.2
71.61349	0.6
71.95257	0.8
72.89338	0.5
79.05491	5.9
81.03413	0.6
81.07056	20.8
83.04977	1.0
83.06102	3.2
83.08618	5.0
85.06532	1.2
89.06034	0.7
91.05484	3.1
93.07037	9.3
95.04951	1.5
95.08604	22.5
97.06511	0.9
97.10153	2.5
99.08056	0.6
105.07008	2.7
107.04950	2.5
107.08594	18.7
108.19449	0.5
109.03996	1.2
109.10161	6.6
110.07162	13.0
111.04410	0.7
111.05559	0.6
111.08066	1.2
111.11713	0.8
117.03380	1.0
117.07000	0.6
119.08475	0.6
121.06489	1.0
121.10141	27.9
123.04269	1.1
123.11697	1.4
125.05961	0.6
125.09565	0.6
130.96260	0.7
131.08585	0.7
131.96240	0.6
133.10165	1.4
135.04407	1.0
135.08028	2.1
135.11693	9.2
135.66245	0.6
137.05869	0.6
137.13252	11.6
138.06622	66.7
139.07062	0.5
139.11115	0.8
145.02794	0.7
148.97371	0.9
149.05893	0.6
149.09558	1.3
149.13240	3.5
159.11630	0.8
159.47168	0.5
163.03888	1.2
163.07600	0.6
165.06979	0.7
167.06984	0.6
177.05530	1.4
177.12856	1.7
177.16383	44.4
180.09267	1.0
181.49530	0.6
195.02917	4.2
195.08772	100.0
195.13721	2.2
195.15718	1.3
195.17389	3.1
196.09068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02363	0.6
52.24596	0.5
53.00306	0.9
53.03936	2.2
53.04156	0.5
53.68040	0.5
55.01870	2.2
55.05495	0.6
56.05011	0.8
56.96564	1.2
58.85793	0.5
65.03948	1.3
67.05517	1.4
69.03424	1.1
69.04541	2.0
69.07071	1.1
69.58864	1.9
69.59286	2.0
70.84681	0.5
71.04961	0.7
77.03928	0.9
78.04701	1.1
79.05495	14.9
81.03421	1.2
81.07062	1.9
83.04987	1.3
83.06118	1.6
85.02911	0.7
91.05482	11.0
93.03395	1.0
93.07024	2.7
95.04972	4.4
95.08589	1.3
97.02902	0.7
98.97601	1.2
103.05468	10.8
105.03352	0.8
105.04526	0.9
105.07035	12.5
106.04128	0.8
107.04958	100.0
107.08597	4.0
109.06526	1.2
109.10211	0.7
110.03696	0.6
110.07169	6.5
111.04445	1.4
112.45435	0.6
115.05447	9.7
116.06265	0.8
116.98595	0.6
117.03368	1.1
117.07024	3.0
119.05013	1.2
119.08593	1.0
120.05743	2.9
121.06514	2.4
123.04412	3.3
124.05191	1.8
125.05991	2.3
127.85429	0.6
127.99957	0.6
131.04926	1.9
131.08533	1.1
133.02882	1.2
133.06465	1.4
135.04443	1.8
135.08058	26.9
135.11703	1.2
137.06021	1.3
138.06628	33.5
139.03918	1.8
145.02859	2.2
145.07646	1.6
147.04390	2.5
148.05173	0.9
148.97339	0.7
149.06010	1.8
149.09581	1.0
149.13225	0.7
152.04706	1.1
153.05478	1.8
154.06256	6.3
158.99646	0.7
159.11755	0.6
162.06717	0.8
163.03986	1.6
163.07558	32.0
165.05507	1.8
167.07048	39.1
177.05473	2.9
177.09097	1.0
177.12796	1.5
177.16403	0.8
179.07045	1.0
180.07813	8.0
195.02950	1.8
195.08777	43.5
195.10249	27.6
195.61325	0.5
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	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	3.5
55.01859	4.9
55.05511	25.0
57.07065	4.6
65.03931	2.4
67.05506	19.9
69.03428	15.0
69.07072	23.5
69.40943	17.1
71.04977	2.4
79.05494	19.8
81.03418	3.3
81.07057	25.5
83.04975	14.1
83.08622	15.9
85.06523	5.7
85.18159	1.9
91.05485	21.7
91.06015	2.8
93.07056	20.1
95.04991	5.0
95.08610	54.2
97.06507	3.1
97.10168	5.3
99.08096	2.4
103.05474	12.0
104.06216	5.4
105.07035	96.3
107.08594	35.1
109.06530	17.1
109.10161	64.4
111.08080	9.2
115.05457	15.5
117.07002	5.9
118.04182	6.9
119.08585	100.0
121.10143	34.3
123.08078	40.5
123.11723	14.0
125.02357	2.0
125.09630	2.2
131.04942	3.2
131.08557	3.3
132.05707	2.8
133.05479	2.3
133.05724	1.2
133.06487	56.1
133.10138	40.5
135.11699	59.7
137.06012	2.0
137.09624	37.4
138.10435	4.5
143.06070	5.2
147.11697	32.9
149.13251	14.3
151.11179	9.0
151.14856	7.7
160.05220	2.5
161.05991	47.5
165.16425	3.3
175.11220	7.9
175.14828	54.6
178.06241	3.1
193.05023	3.2
193.08615	51.8
193.10278	3.7
193.12259	5.8
193.15903	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	2.2
55.05510	19.5
57.07067	7.5
59.04979	2.8
65.03945	2.6
67.05496	26.4
68.16853	1.6
69.03432	18.3
69.07059	26.4
69.75938	5.2
69.76347	4.7
71.04977	5.7
79.05483	11.0
81.07052	32.3
83.04974	20.4
83.08625	15.4
85.06525	8.3
91.05475	13.8
92.45540	1.7
93.07049	24.3
95.04955	3.9
95.08602	63.3
95.40376	1.7
97.06524	4.5
97.10159	5.1
98.66628	1.9
99.08086	6.5
103.05482	5.9
105.07025	58.4
106.14082	1.8
106.14807	2.0
107.08591	45.4
109.06506	13.2
109.10153	83.2
111.08055	12.2
115.05434	9.9
117.07013	2.5
118.04162	3.1
119.08584	57.6
121.10136	41.2
123.08059	39.5
123.11701	20.4
125.09597	2.6
133.06500	29.2
133.10126	53.3
135.11687	71.1
137.09612	29.7
138.10408	6.1
143.06044	2.2
147.11673	10.4
149.02324	2.8
149.13278	20.2
151.11188	9.1
151.14853	10.7
161.05971	28.4
165.16400	5.6
173.32666	1.7
175.11143	1.9
175.14809	50.8
193.04977	5.5
193.08667	10.7
193.15889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05513	9.9
56.96579	2.8
57.07066	4.5
58.14348	1.4
58.62995	1.5
63.25265	1.5
64.77789	1.5
67.05508	14.8
69.07069	27.0
70.73666	4.4
71.04992	20.3
79.05489	6.5
81.03403	2.4
81.07059	23.1
83.08598	5.1
85.06557	13.2
88.47274	1.5
91.05463	8.9
93.07050	28.3
95.04967	32.4
95.08609	21.0
97.06511	5.3
97.10165	8.9
99.08101	3.0
105.07036	16.5
107.08599	33.9
109.06526	100.0
109.10170	18.8
110.97565	3.2
111.08101	8.2
111.11734	3.1
117.06974	1.7
119.08589	32.9
121.10153	11.4
123.08071	10.5
123.11723	22.2
128.98636	3.5
133.02840	2.4
133.06468	1.6
133.10124	27.5
135.11711	39.6
137.06012	1.5
137.09636	14.4
144.85313	1.5
146.99649	2.8
147.11700	10.9
149.13269	10.3
151.11223	8.6
151.14871	3.0
161.02348	1.9
161.05934	2.2
175.14838	39.9
193.04926	8.4
193.08554	2.2
193.12247	6.1
193.15892	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.35967	1.2
53.03944	2.8
55.01861	3.6
55.05511	44.5
57.07069	3.2
62.35747	1.4
63.32993	1.3
65.03931	1.3
67.05509	18.2
68.57481	1.2
69.03430	2.2
69.07066	19.3
69.75858	7.7
71.04996	3.2
79.05493	17.0
81.07060	49.7
83.04984	100.0
83.08611	2.7
85.06547	3.2
91.05476	5.0
93.07042	14.7
95.04967	6.1
95.08611	21.1
96.33755	1.5
97.06525	4.9
98.21462	2.5
103.05526	1.5
105.07044	13.3
106.49783	1.2
107.08590	18.0
109.06515	11.9
109.10163	34.7
111.08093	6.3
111.11716	2.4
114.91191	1.2
119.08582	17.2
119.67852	1.2
121.10137	5.2
123.08044	9.7
123.11699	7.2
125.09627	1.6
131.08583	2.0
133.06499	5.5
133.10136	15.9
135.11691	16.5
137.09616	18.4
147.11696	3.1
149.13271	2.3
151.11209	4.0
161.06009	5.0
175.14838	20.3
180.88589	1.3
193.08720	1.9
193.15889	25.0
196.29210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03934	1.8
55.01866	1.3
55.05522	6.1
57.07054	3.4
65.03942	1.5
67.05498	11.8
69.03414	1.6
69.07072	12.2
69.35323	9.3
71.04977	2.2
75.03595	1.5
75.55016	1.1
79.05480	8.8
81.07062	13.1
83.04965	4.5
83.08601	3.9
85.06534	2.6
91.05479	14.7
92.05811	1.3
93.07046	16.5
95.04948	4.3
95.08604	24.1
97.02889	1.3
97.06504	4.3
103.05442	3.3
105.07024	38.4
107.04926	1.3
107.08596	11.8
109.06499	5.4
109.10151	24.7
115.05460	3.0
117.07042	2.7
118.04106	1.3
119.08577	67.3
121.06507	2.2
121.10144	6.5
123.08056	5.8
123.11696	3.0
131.08553	4.3
133.02829	1.3
133.06528	8.3
133.10129	94.3
134.10861	2.1
135.08060	7.3
135.11685	17.7
137.09616	7.1
145.10138	7.7
147.08102	1.5
147.11688	34.9
149.02333	1.8
149.13239	7.6
151.11116	1.4
151.14821	4.5
157.10075	1.5
159.11737	1.8
160.12456	3.4
161.05989	6.8
165.09151	1.6
165.12759	4.9
175.11346	6.5
175.14824	100.0
176.15114	1.7
193.04951	4.9
193.08569	4.5
193.12279	7.4
193.15862	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02371	0.9
52.52129	0.7
53.03931	3.5
55.01865	4.0
55.02105	0.8
55.05515	8.0
57.03432	1.1
57.07076	4.3
57.67751	0.9
59.04974	2.0
65.03920	4.0
67.05508	14.8
68.99776	1.0
69.03417	2.7
69.07068	16.2
69.32790	7.2
71.04983	2.3
77.03896	1.0
78.04688	0.9
79.05049	1.2
79.05492	18.1
81.03419	5.7
81.06633	1.4
81.07058	17.1
83.04983	7.2
83.08618	6.6
85.06528	4.0
86.87032	0.9
90.04678	1.1
91.04955	1.6
91.05481	19.5
92.02605	0.8
93.07045	14.5
95.04979	7.5
95.08036	1.8
95.08608	26.1
97.02882	2.3
97.06510	3.6
99.08083	6.2
103.05463	15.8
104.06309	1.0
105.03397	1.2
105.07032	100.0
106.07359	1.0
107.04932	3.8
107.08596	17.0
109.06516	12.2
109.10155	28.6
111.04422	1.0
111.08081	2.0
112.24799	0.8
115.05452	18.4
117.07018	2.6
118.04165	11.2
119.04951	3.6
119.08585	50.1
120.85712	1.0
121.06496	2.7
121.10139	7.6
122.03649	2.0
123.04464	1.1
123.08080	7.8
123.11707	5.3
129.07027	1.5
131.04951	4.7
131.08588	3.3
132.05659	2.6
133.02859	14.9
133.06494	66.6
133.10126	59.1
134.06850	1.5
135.04416	2.3
135.08051	1.9
135.11693	22.9
137.05997	7.6
137.09616	10.6
142.07732	1.1
143.04985	1.2
143.06047	6.6
145.10098	3.5
147.04416	2.2
147.08029	1.1
147.11685	15.2
149.02328	6.5
149.03473	2.1
149.05984	4.2
149.13243	5.6
150.03136	2.0
150.06760	4.1
151.07539	1.6
151.11171	1.9
151.14781	5.2
157.10120	1.2
160.12480	3.0
161.05981	65.8
162.06331	1.4
165.05498	3.0
165.09114	6.5
165.12778	1.0
175.11212	2.0
175.14825	70.0
178.02641	9.3
178.06242	1.7
193.04964	41.5
193.08607	28.8
193.12259	4.0
193.15881	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	193.0708
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
53.03937	14.9
55.01860	16.5
55.05495	17.0
57.03426	18.4
63.84443	4.8
65.03932	21.5
67.05510	31.0
69.03115	6.6
69.03432	72.8
70.91927	4.9
71.04984	6.0
71.60185	6.5
73.02898	17.4
74.11362	5.8
79.05489	11.7
81.03416	13.2
81.07043	12.8
83.04984	89.5
83.08585	6.7
85.02918	43.9
87.04443	16.3
91.04955	4.8
91.05476	29.4
93.03397	26.3
95.04976	81.9
95.08582	12.7
97.02885	28.6
101.00902	6.8
101.06017	5.2
103.05463	7.3
105.07046	24.8
107.08603	8.2
109.06531	11.4
109.10165	11.8
111.03699	7.4
111.04452	100.0
119.01929	8.4
119.04987	9.9
119.08579	14.3
120.01962	5.5
121.01644	6.7
121.02869	11.7
127.03917	11.1
129.05473	70.0
131.01855	9.6
133.02826	33.2
133.06506	17.2
133.10120	15.0
135.11668	9.3
137.06010	9.6
139.03918	24.4
145.01616	7.3
147.01395	6.6
147.04341	10.1
147.06505	20.9
147.11641	6.0
151.03906	6.4
151.07568	7.1
154.47403	5.3
157.04994	11.3
161.02309	40.6
161.05960	9.7
163.02704	5.7
165.01733	6.8
165.05463	15.8
174.03159	15.0
175.02617	11.7
175.04015	8.0
175.07538	5.2
175.14827	11.5
178.02606	6.9
193.04930	79.1
193.08488	11.8
193.12146	12.0
193.15878	26.9
193.17699	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02348	0.9
53.03937	2.0
55.01876	4.7
55.05511	5.8
55.23850	0.7
56.96552	1.0
57.07081	1.5
65.03946	3.6
67.05498	7.5
68.57077	0.8
69.03423	1.8
69.07066	7.4
69.80850	3.9
71.04980	0.9
79.05495	13.2
81.03432	1.0
81.07058	9.0
83.04983	4.7
83.08613	2.3
85.06538	1.7
90.04716	1.7
91.04947	1.3
91.05487	16.8
93.07048	10.0
95.04964	5.0
95.08036	1.3
95.08607	15.3
97.02861	0.8
97.06532	3.2
98.21496	1.2
99.08096	1.9
103.05478	14.7
104.06246	1.0
105.03363	1.8
105.07034	100.0
106.07355	1.7
107.04951	2.3
107.08585	10.0
109.06513	4.5
109.10154	14.1
110.42889	0.7
111.08105	0.9
115.05454	17.1
117.06998	2.6
118.04166	13.5
119.04945	2.1
119.08582	37.2
121.02847	0.9
121.06514	2.8
121.10120	4.7
123.08099	3.8
123.11690	1.6
128.54794	0.7
128.98590	1.2
129.06886	0.8
131.04921	2.4
131.08586	2.3
132.05698	1.3
133.02875	4.0
133.06497	66.8
133.10133	46.6
134.06807	1.1
135.08078	4.7
135.10779	1.2
135.11703	9.2
137.05988	2.1
137.09613	4.4
142.07761	1.0
143.05000	1.1
143.06030	6.4
145.10120	3.1
147.04346	1.9
147.08038	2.3
147.11688	20.3
149.02345	7.1
149.03452	1.6
149.05948	1.1
149.09651	1.2
149.13257	2.6
150.03145	1.3
150.06752	2.4
151.11185	1.5
151.14822	2.0
153.97282	0.8
157.10178	1.3
160.05194	1.2
160.12492	1.3
161.02336	2.0
161.05986	67.0
162.06390	1.0
165.09085	2.6
165.12759	2.5
175.11311	3.9
175.14832	47.8
178.02574	4.7
193.04964	14.4
193.08604	20.5
193.12318	6.0
193.14339	1.2
193.15910	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	192.0655
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
55.05895	0.3
56.96547	1.2
57.01783	0.3
65.03923	0.3
69.03427	0.5
71.12009	0.6
71.51987	0.2
79.05488	0.4
81.03428	0.4
81.07037	0.4
85.02874	0.7
91.05474	0.9
95.04957	0.5
97.02875	1.0
98.97585	1.2
103.05481	0.5
105.03373	0.2
105.07027	2.3
106.06539	0.6
107.08579	0.3
108.08141	1.3
110.97554	0.6
115.05465	0.4
116.98593	0.3
117.81503	0.3
118.04152	0.5
118.06526	0.9
119.04961	0.4
120.01517	0.4
121.02856	0.5
122.06020	0.7
123.04424	3.0
128.98586	0.4
132.08833	0.3
132.95819	1.1
133.06500	2.0
134.06012	7.0
136.07579	2.6
137.06003	0.4
140.98724	0.2
143.06026	0.3
146.05962	1.4
147.04370	0.3
147.06783	2.7
148.07581	0.4
149.04745	0.4
150.96864	1.1
160.05013	0.4
161.06003	1.7
162.05504	1.3
163.06250	0.7
164.07059	29.9
165.05492	0.3
165.07404	0.3
171.03101	0.7
179.00146	0.4
185.15041	0.3
192.06546	100.0
192.17438	0.5
193.05038	0.3
193.06845	0.8
193.08487	0.3
203.00073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77982	1.1
52.09068	1.2
53.03938	1.9
55.05260	1.1
55.05513	15.4
57.07061	3.3
63.40732	1.1
66.08347	1.1
67.05512	13.2
69.07069	39.1
70.98201	2.0
79.05492	14.2
81.07059	14.6
83.08624	15.2
88.85310	1.1
91.05469	6.0
93.07050	43.0
95.04958	1.6
95.08608	72.4
97.10169	7.7
103.05436	2.4
105.07044	5.9
107.08597	53.3
109.06499	1.4
109.10162	34.1
111.11739	3.5
111.72424	1.1
119.08514	2.8
121.10146	83.3
123.11715	6.9
131.08556	1.3
133.10159	2.2
135.08058	2.3
135.11696	56.1
147.11639	1.7
149.13268	15.8
163.14780	1.5
171.26965	1.4
191.07040	1.5
191.10735	2.2
191.14326	5.0
191.17955	100.0
192.18356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05509	15.3
56.27253	1.1
57.07085	2.4
57.63891	0.9
61.98254	1.0
67.05505	15.4
69.07066	38.7
70.04250	5.4
70.04538	1.3
79.05494	13.8
81.07050	15.6
83.08614	15.9
91.05493	6.1
93.06459	2.3
93.07045	43.2
95.08604	72.2
95.92207	1.2
97.10160	7.7
103.05461	2.3
105.07016	8.8
107.08591	56.2
109.06492	1.2
109.10159	39.7
111.11716	2.0
118.04118	1.2
119.08569	3.5
121.10141	74.9
123.11686	4.9
131.08580	1.7
133.10139	3.6
135.07999	1.5
135.11691	57.7
145.10132	2.2
147.11667	2.0
149.13263	15.4
163.07567	1.9
163.14804	2.6
191.10692	1.7
191.14293	6.6
191.17946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.33876	0.8
53.03942	2.6
55.01864	1.1
55.05254	1.1
55.05508	17.0
56.96568	4.0
57.07075	4.2
58.36520	0.9
66.78315	0.8
67.05167	1.0
67.05506	17.6
69.03436	4.7
69.07066	40.7
71.04987	0.9
71.06095	1.6
77.03899	0.7
79.05492	28.6
81.07056	25.0
83.04967	2.8
83.08620	15.3
91.05479	18.1
93.07047	51.9
95.04964	3.8
95.08608	74.4
97.06509	1.1
97.10162	9.6
102.04687	1.7
103.05470	17.7
105.03397	2.3
105.04505	1.0
105.07038	18.2
107.04955	7.3
107.08594	100.0
109.06496	3.1
109.10157	39.2
111.04459	1.2
111.11692	2.5
115.05458	2.0
117.07049	5.2
118.04188	7.1
119.04949	1.9
119.06094	0.9
119.08578	8.5
121.06512	5.6
121.10143	79.2
123.08050	2.9
123.11715	7.4
129.06987	1.9
130.04141	3.1
130.07787	1.9
131.04938	14.3
131.08563	11.2
133.02876	2.9
133.06509	1.5
133.10121	9.5
135.04405	2.5
135.08041	7.4
135.11694	57.2
137.09616	1.4
143.08534	2.6
145.06538	1.5
145.10106	10.0
147.01997	0.9
147.04408	1.5
147.08075	1.0
147.11681	8.0
148.05199	8.4
149.05972	1.3
149.09624	3.8
149.13251	15.7
158.10953	2.5
159.04387	2.5
163.03813	0.9
163.07558	14.5
163.11198	2.9
163.14790	4.7
173.05971	2.0
173.09639	3.3
173.13234	8.2
176.04742	4.1
176.08286	2.8
191.03391	3.7
191.07011	17.4
191.10683	19.5
191.14317	28.3
191.17944	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03925	1.5
55.05509	18.0
57.07089	3.5
60.64026	1.5
61.58941	1.3
67.05507	15.2
69.03419	3.4
69.07068	40.9
70.76145	3.6
75.40025	1.3
79.05492	15.4
81.07050	17.6
83.08626	12.5
90.25814	1.4
91.05484	6.4
93.07043	46.5
95.04976	2.0
95.08607	78.5
97.10171	8.5
105.07014	9.7
107.08601	53.8
109.06544	1.5
109.09442	2.7
109.10156	38.2
111.11698	2.2
119.08623	4.1
121.10145	78.3
123.11702	6.2
131.08574	3.5
133.10155	7.9
135.11696	56.3
145.10175	2.9
147.11652	2.2
149.13260	15.6
160.07883	1.4
163.14801	2.2
173.13261	4.1
191.10741	2.1
191.14357	9.7
191.17961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05507	21.0
56.96555	3.4
57.07061	4.0
58.83419	1.0
60.15261	1.3
63.62549	1.1
67.05502	19.3
69.03432	5.9
69.07066	39.6
70.27428	3.1
76.46175	1.1
79.05489	20.3
81.07052	28.8
83.04981	2.2
83.08617	15.1
85.10149	1.1
91.05482	13.5
93.07041	56.3
95.04956	2.7
95.08604	75.6
97.10171	11.3
98.21586	1.1
102.04655	1.4
103.05457	13.0
105.07026	15.3
107.04957	4.9
107.08591	67.2
109.06531	2.3
109.10151	45.0
111.04477	1.3
111.11748	2.1
112.45474	1.0
115.05470	1.5
117.07009	4.0
118.04162	5.0
119.04952	1.3
119.06066	1.7
119.08575	8.3
120.05739	1.2
121.06534	6.0
121.10139	87.3
123.08070	2.6
123.11703	7.5
130.04173	2.9
131.04930	9.8
131.08557	9.0
133.02837	3.5
133.06483	2.0
133.10127	10.7
135.08063	8.9
135.11693	66.2
143.08531	1.6
145.10115	10.3
146.03571	1.0
147.11633	3.7
148.05206	5.8
149.09584	4.0
149.13243	21.2
158.07246	1.7
158.10933	2.3
159.04427	2.1
161.09598	1.7
161.10817	1.3
163.07541	11.2
163.11203	2.9
163.14781	3.5
173.05974	1.7
173.09663	2.7
173.13274	10.7
176.04744	2.6
176.08307	3.0
176.32480	1.0
189.40323	1.2
191.03355	2.7
191.07056	15.3
191.08685	1.6
191.08997	1.8
191.10652	16.4
191.14320	29.2
191.17938	100.0
192.18436	1.2
196.36249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03940	7.4
55.05513	23.1
57.07066	6.6
60.47173	1.7
60.66759	1.6
63.85135	1.7
65.03922	2.8
67.02991	3.9
67.05507	18.1
69.03424	5.3
69.07068	37.5
71.61902	2.0
77.03938	1.7
79.05052	3.4
79.05497	45.2
80.05007	2.9
81.03407	1.8
81.04558	3.1
81.07059	24.9
82.14423	1.5
83.04979	2.6
83.06119	2.0
83.08630	18.7
89.57718	1.7
91.05486	19.9
93.07050	60.4
95.04976	10.0
95.08611	82.0
97.07661	1.9
97.10170	13.2
103.05461	5.3
105.04523	3.8
105.07029	15.6
107.04961	27.5
107.08596	70.4
108.05598	3.3
109.04000	5.7
109.06495	3.3
109.10159	36.7
111.04484	1.9
117.07039	4.1
119.04961	2.3
119.08596	11.6
121.02859	2.8
121.06486	6.7
121.10149	100.0
122.07198	3.0
123.08057	3.8
123.11719	9.7
131.01289	1.6
131.04915	4.5
131.08545	7.6
132.05560	2.6
133.06525	2.4
133.10101	8.1
134.07144	1.7
135.04422	21.4
135.08061	10.8
135.11694	63.2
143.08519	2.2
145.02814	2.9
145.06532	2.5
145.10135	9.2
147.11752	3.6
148.08722	1.7
149.02286	2.0
149.06004	2.5
149.08258	26.7
149.09523	3.9
149.13261	21.1
150.02728	3.4
150.06650	1.9
150.10127	1.6
159.04391	3.9
163.03911	11.5
163.11188	3.0
163.14824	2.9
173.09660	3.1
173.13258	5.8
176.08357	2.3
191.03410	20.3
191.07115	10.3
191.09180	3.1
191.10664	18.1
191.12784	2.6
191.14334	33.9
191.17953	92.8
192.06552	4.4
212.32843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03931	1.6
54.81402	1.2
55.05510	9.8
57.07064	2.0
58.32503	1.1
67.05229	0.8
67.05506	11.6
69.06717	1.9
69.07070	28.1
69.08868	1.0
70.53644	2.2
73.95267	0.9
79.05042	1.2
79.05488	9.8
80.66062	1.0
81.07058	10.1
83.08627	8.8
85.95055	0.9
89.94091	1.0
91.05466	4.5
93.07048	33.6
95.05025	0.9
95.08610	53.9
97.10168	6.3
98.20798	1.0
102.94164	1.0
105.07030	3.5
107.07861	1.9
107.08594	38.2
109.09443	1.8
109.10155	25.6
111.11707	2.2
119.08565	1.3
121.10146	56.0
123.11729	5.9
131.57222	1.0
135.11702	40.4
149.13237	10.2
163.09903	1.2
163.14775	1.5
191.17953	100.0
209.20990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03930	1.7
55.05510	16.6
57.07064	4.1
58.44703	1.1
67.05503	15.9
69.07066	45.0
70.72105	3.0
79.05491	15.4
81.07058	19.0
82.49751	1.2
83.08618	14.1
83.50723	1.3
91.05470	8.7
93.07041	53.0
95.08604	83.0
95.49461	1.2
97.10176	10.0
98.20674	1.0
98.53629	1.2
105.07005	6.9
107.08592	61.4
109.06516	1.6
109.10155	42.7
109.10912	2.0
119.08572	4.2
121.10143	86.5
123.08145	1.6
123.11691	4.9
131.08574	1.7
133.10158	3.2
135.08063	1.4
135.11696	60.9
145.10091	1.7
147.11653	2.2
149.09650	1.6
149.13243	13.5
163.14844	2.2
173.13222	1.6
191.10667	2.5
191.14377	8.5
191.17950	100.0
192.18266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88068	1.2
55.05510	13.5
55.43330	1.1
56.60086	1.3
57.07075	3.0
59.70157	1.3
65.03924	1.2
66.76868	1.2
67.05501	12.2
69.06719	2.3
69.07069	35.2
69.64633	8.1
69.71605	1.4
71.08600	1.2
79.05499	13.5
81.07058	18.4
83.08629	12.8
91.05504	7.4
93.06453	2.8
93.07039	40.7
95.08609	71.6
97.10171	9.3
98.20728	1.6
105.07033	7.4
107.08598	55.1
109.06482	1.7
109.09452	2.6
109.10160	38.0
111.11720	2.8
119.08558	3.7
121.10143	71.8
123.11713	6.4
133.10126	1.7
135.07991	1.3
135.10661	2.8
135.11697	53.9
145.10164	1.7
146.50377	1.4
147.11700	1.9
149.13268	13.1
163.14745	2.9
190.74257	1.3
191.07111	1.6
191.14326	4.0
191.17950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99988	1.2
55.05507	12.4
57.07071	4.2
64.70576	1.1
65.03953	1.4
67.05503	10.6
69.06711	2.0
69.07069	31.9
70.65540	3.7
79.05490	11.4
81.07050	17.9
82.79538	1.1
83.08612	11.1
84.08904	1.1
91.05479	8.4
93.06459	2.0
93.07044	42.5
95.08607	75.8
97.10178	6.7
103.05415	1.3
105.07033	6.2
107.08590	54.0
109.10153	31.7
119.08553	4.0
121.06437	1.2
121.10140	75.9
123.11701	6.1
131.08545	2.1
133.10123	4.9
134.81340	1.2
135.08063	1.9
135.11690	51.4
145.03467	2.1
145.10199	3.1
147.11676	1.7
148.21765	1.3
149.13269	11.9
163.14903	2.4
167.35364	1.3
173.09601	2.1
173.13150	1.6
191.07138	1.6
191.10622	1.4
191.14310	8.7
191.17944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03951	1.9
55.05512	12.8
57.07061	2.2
67.05503	12.2
69.06713	1.9
69.07067	30.4
69.64317	6.1
69.64746	3.4
70.50119	1.3
79.05103	1.3
79.05496	11.8
81.07053	13.9
83.08622	12.8
91.05471	7.9
93.07043	42.7
95.08603	63.4
97.10172	8.3
98.20795	2.3
102.43832	1.2
105.07009	6.0
107.08592	52.2
109.10155	34.4
111.11689	2.2
117.07024	1.2
119.08562	2.5
121.10139	67.1
123.11690	5.6
133.10123	1.8
135.11694	58.3
145.10118	1.5
147.11638	2.0
149.13239	12.8
160.07724	1.4
163.14886	2.2
173.13287	2.4
191.07108	1.5
191.10605	1.5
191.14363	6.0
191.17943	100.0
195.35376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.15976	0.9
55.05511	16.2
57.07050	3.1
67.05500	12.3
69.07070	36.5
71.35782	1.1
71.36125	1.1
79.05496	14.3
81.07059	16.0
83.08624	16.0
86.03870	0.9
91.05495	6.1
93.07048	42.8
95.04963	2.1
95.08606	69.8
97.10177	8.2
103.05458	3.1
105.07043	6.8
107.08596	50.2
109.06494	2.1
109.10152	35.2
111.11700	2.5
117.07010	1.3
119.08578	3.3
121.10143	74.8
123.08102	1.2
123.11698	7.0
131.04909	2.0
131.08514	1.6
133.10098	2.6
135.08054	1.3
135.11693	56.5
145.10126	1.1
147.11641	1.4
148.05093	1.1
149.13264	11.7
163.07585	1.7
163.11119	1.2
163.14793	1.5
173.13245	1.7
191.07057	1.4
191.10632	2.4
191.14394	5.4
191.17941	100.0
193.21800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05507	15.0
57.07059	3.2
62.72012	1.1
65.03912	1.2
65.09792	1.0
67.05502	11.2
67.44200	0.9
69.07069	32.6
69.91339	3.3
70.58942	1.0
70.91797	0.9
79.05502	12.8
81.06637	1.3
81.07063	17.2
82.28532	1.1
83.04967	1.2
83.08617	15.3
91.05471	8.0
93.07044	46.4
95.04963	2.0
95.08610	72.6
97.10167	9.0
103.05458	2.4
105.07037	7.3
107.04954	1.6
107.08594	53.0
109.06524	1.3
109.10158	33.1
111.11713	2.0
117.07000	1.1
118.04158	1.4
119.08560	4.3
121.06490	1.9
121.10141	73.9
123.11705	5.4
131.04909	2.3
131.08551	1.2
133.10127	2.5
135.08054	2.8
135.11693	56.1
141.03102	1.0
145.10135	4.1
147.11673	3.0
149.09608	1.7
149.12181	1.0
149.13268	13.7
158.10867	1.5
163.07513	2.1
163.14801	1.8
173.09605	1.7
173.13263	2.7
191.03273	1.0
191.07011	2.5
191.10591	4.6
191.14336	9.1
191.17947	100.0
192.18230	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01859	1.6
55.05511	8.9
57.03422	1.1
57.07060	2.9
59.04981	1.6
64.96067	1.0
65.03932	2.1
67.05505	8.1
69.03431	13.9
69.07063	10.5
69.49689	7.3
69.64115	1.0
71.04992	2.0
79.05490	9.2
81.07073	9.6
83.04986	7.9
83.08611	3.5
85.06554	1.2
91.05479	29.0
93.07039	14.0
95.04947	3.0
95.08614	9.8
97.06524	4.5
98.21487	2.0
98.97558	2.1
103.05467	9.4
105.07034	33.1
107.04927	2.7
107.08595	36.4
109.06527	6.2
109.10165	3.6
115.05441	2.9
116.06212	2.1
117.07009	10.2
118.04160	2.6
119.04967	1.5
119.08584	23.8
119.63063	1.0
121.06499	6.5
121.10155	28.1
123.08073	4.5
128.06230	1.9
129.06996	9.2
130.07780	4.8
131.04962	5.3
131.08575	29.8
133.06509	1.9
133.10132	26.4
135.08061	17.5
135.11678	3.2
136.08849	1.3
137.09485	1.1
143.08551	19.8
144.09357	5.4
145.10129	18.9
147.08060	1.8
147.11699	14.8
148.05180	4.3
149.09622	8.3
149.13266	10.2
156.09238	1.2
157.10179	1.5
158.10933	16.7
160.05165	1.1
161.09653	5.5
163.07507	5.3
163.11220	1.9
163.14861	3.5
173.13275	26.5
176.04697	3.0
176.12033	1.7
191.07050	8.0
191.10660	4.7
191.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.27140	1.0
55.05257	1.3
55.05510	15.7
57.07058	1.9
59.11266	1.2
60.06491	1.2
67.05505	14.6
69.07068	36.7
69.72194	1.1
70.26114	1.0
70.84656	1.5
70.84991	2.5
71.04613	1.3
75.48149	1.2
79.05486	12.2
81.07059	15.9
83.08606	15.3
91.05486	6.1
93.07043	43.8
95.08604	75.3
97.10173	8.0
97.75899	1.2
100.07838	1.2
103.05475	1.2
105.07011	6.6
107.08594	54.6
109.10153	39.3
109.44170	1.3
110.10492	1.2
111.11710	3.2
119.08565	2.9
121.10139	78.7
123.11709	5.2
131.08575	1.5
133.10085	2.4
135.08040	2.1
135.11694	61.5
145.10110	1.3
147.11638	1.8
148.12413	1.4
149.13266	14.5
156.05005	1.3
163.14836	2.3
173.13174	1.2
191.10753	1.8
191.14328	4.7
191.17944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.6
55.05512	8.1
57.03429	2.2
57.07064	2.2
58.42585	0.7
65.03951	1.7
67.05507	10.7
69.03426	14.5
69.07067	16.3
69.44747	1.6
69.45155	4.0
71.04993	3.0
79.05486	10.2
81.03419	0.8
81.07056	12.9
83.04990	6.0
83.08620	4.3
85.06537	1.2
91.05479	11.6
93.07045	20.3
95.04960	5.1
95.08607	23.4
97.06530	2.4
97.10167	1.8
103.05463	4.3
105.07034	20.3
105.07752	0.9
107.05000	4.3
107.08592	41.6
109.06525	5.4
109.10152	22.4
115.05431	1.3
117.07032	3.4
119.06055	1.0
119.08591	9.5
121.06517	8.0
121.10141	41.0
122.07279	2.0
123.08060	4.7
123.11677	1.8
129.06990	1.7
131.04941	2.2
131.08566	13.4
133.10130	100.0
135.08051	11.7
135.11694	18.2
137.09619	10.9
143.08545	4.3
144.09311	1.3
145.10114	6.1
147.11691	7.7
148.05173	1.6
148.08830	1.5
149.09662	6.4
149.13266	22.0
158.10896	7.2
161.09651	1.0
162.10449	0.8
163.07544	2.0
163.11217	1.0
163.14792	5.9
173.13263	27.4
176.11917	0.8
191.07089	1.4
191.10733	3.5
191.14308	49.0
191.17947	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.43329	0.9
53.03946	1.8
55.01881	0.9
55.05251	1.6
55.05510	21.8
56.96547	2.5
57.07084	5.4
57.07318	1.1
65.49031	0.8
67.05161	1.3
67.05505	17.1
69.03405	2.4
69.07068	42.3
69.96799	0.9
70.47668	1.0
71.05191	2.1
71.08610	1.3
79.05492	18.1
80.00991	0.9
81.07055	21.5
83.04987	2.8
83.08621	13.5
85.07745	0.9
89.03933	0.8
91.04950	1.2
91.05478	12.3
93.07046	55.2
95.04975	2.6
95.08607	74.3
96.08925	1.0
97.06507	1.1
97.09679	0.8
97.10180	7.1
97.23184	0.9
103.05466	2.0
105.07042	10.3
107.04954	3.4
107.08592	64.8
109.06473	1.9
109.10155	41.3
109.10915	2.1
111.11716	2.5
114.95778	0.9
117.07005	2.7
119.05990	0.9
119.08556	6.7
121.06550	1.9
121.10137	87.0
123.08045	1.6
123.11702	8.2
131.04982	1.4
131.08588	5.1
133.10138	6.3
135.08093	6.1
135.11690	64.8
145.10139	5.0
147.11687	3.2
148.12512	1.0
149.01218	0.9
149.09579	3.0
149.13257	16.4
158.10880	2.0
159.04457	1.2
161.09602	1.1
163.07451	1.6
163.14786	2.7
173.09549	2.1
173.13272	5.8
176.04625	1.5
191.03349	2.3
191.07040	3.7
191.10667	4.4
191.14314	20.9
191.17943	100.0
192.06673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.05515	14.6
57.07071	2.3
65.03946	3.2
67.05502	16.0
69.03432	35.6
69.07067	22.6
69.86603	3.7
69.87017	7.7
77.03908	2.1
79.05494	77.5
79.05955	4.3
81.03402	3.4
81.07059	55.8
82.07420	1.9
83.04995	13.6
83.08605	7.8
91.05477	29.4
93.06454	2.6
93.07048	38.0
95.04962	6.8
95.08044	2.4
95.08611	32.9
97.06498	3.8
97.10120	2.0
99.27694	1.8
103.05480	11.0
105.07043	23.5
107.04964	34.2
107.08601	100.0
109.06496	6.6
109.10167	19.7
111.08067	2.4
117.06991	9.8
119.08587	12.8
121.06525	12.6
121.10140	40.2
122.07315	3.8
123.08102	3.6
129.07018	2.6
130.07814	2.2
131.04907	4.7
131.08577	18.3
133.06514	3.3
133.10133	70.0
135.08075	11.5
135.11713	22.4
137.09615	18.4
137.64674	2.1
143.08577	4.6
145.10118	11.5
147.11674	10.2
148.05168	3.3
149.09575	8.5
149.13257	18.6
149.68724	2.0
158.10907	6.7
163.07527	5.0
163.11270	2.2
163.14824	3.2
173.13269	22.8
176.04619	3.8
191.07098	8.4
191.10760	10.0
191.14308	78.6
191.17924	31.5
194.38460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01871	4.9
55.05504	2.7
57.07075	0.8
67.05509	2.4
69.03430	4.0
69.06718	1.1
69.07069	13.4
69.55139	3.5
71.05000	0.8
77.03912	0.7
79.05492	5.1
80.18039	0.5
81.03423	0.5
81.07059	4.8
83.04981	2.9
83.08612	1.9
90.06878	0.5
91.05486	6.7
93.07042	15.2
95.04953	1.4
95.08607	7.9
97.06522	2.6
97.10152	0.5
103.05472	5.3
105.03403	0.6
105.07031	7.3
107.04963	1.3
107.08598	14.7
109.06523	3.1
109.10150	3.7
111.08051	0.7
115.05453	1.3
117.07019	2.9
118.04165	2.1
119.04890	0.7
119.08561	4.1
120.05809	0.5
121.06509	16.7
121.10139	12.0
123.08059	2.5
125.65160	0.5
129.06985	1.6
130.04124	0.9
131.04936	4.2
131.08577	6.7
133.02832	0.8
133.10152	8.7
135.08054	13.0
135.11707	7.2
137.09605	1.0
143.08554	1.9
145.10107	5.7
147.11685	22.9
148.05167	2.3
149.09628	4.9
149.13252	8.6
150.10400	0.6
158.10913	2.9
161.09616	6.9
163.07555	4.1
163.11217	2.5
163.14809	2.1
166.52222	0.5
173.05956	0.9
173.09616	1.5
173.11774	0.5
173.13264	13.7
176.04623	1.4
176.08269	1.1
176.11952	2.4
191.07092	3.5
191.10730	8.8
191.14304	100.0
192.14682	0.6
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
52.34354	1.8
53.03929	7.2
55.05514	13.0
57.07071	5.9
59.04992	2.3
62.30175	1.8
65.03928	2.7
66.04731	1.9
66.91525	1.8
67.05524	12.7
69.03429	35.6
69.07067	15.1
69.46455	14.0
75.98965	1.8
76.77537	1.6
77.03931	2.7
79.05058	3.7
79.05495	63.7
81.07057	61.2
83.04975	17.2
83.08602	5.6
85.06534	4.5
88.44865	1.8
91.04960	2.4
91.05481	27.5
93.07043	32.9
95.04961	4.8
95.08611	19.1
97.06511	5.0
103.05475	4.9
105.07034	28.5
107.04964	37.2
107.08595	100.0
109.06510	5.8
109.10152	15.2
111.08067	3.2
115.05431	4.0
117.07011	6.8
119.08572	12.2
121.06506	14.3
121.10143	35.1
122.07311	5.0
123.08074	3.8
129.06995	2.1
131.04939	2.6
131.08578	20.2
133.10130	75.3
135.08044	17.5
135.11671	14.1
136.08879	2.5
137.09619	20.7
142.57582	1.9
143.08565	6.3
144.09341	2.4
145.10091	10.8
147.11696	8.7
149.09631	6.1
149.13254	17.7
158.10886	10.3
161.09680	3.0
163.07631	3.3
163.14803	2.4
173.13280	25.1
191.07074	4.5
191.10663	8.1
191.14311	86.9
191.17911	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.89564	1.1
53.74433	1.3
55.05495	3.7
57.03418	1.6
57.07061	2.4
61.56330	1.2
62.95500	1.4
64.68572	1.1
67.05502	6.9
69.03432	22.0
69.07065	6.2
71.16264	3.2
75.73905	1.4
79.05499	14.0
81.07054	13.5
83.04985	6.6
83.08597	2.6
88.70812	1.2
90.92045	1.3
91.05473	9.3
93.07061	7.1
95.08604	5.4
105.07035	14.0
107.04967	6.1
107.08598	32.0
109.06498	3.5
109.10169	8.9
115.05499	1.3
117.07057	2.1
119.08574	5.2
121.06505	4.7
121.10143	18.6
122.07273	3.4
123.08041	2.0
131.08565	7.9
133.10129	100.0
135.08051	7.7
135.11681	4.0
137.09616	19.0
143.08554	3.0
145.10097	6.1
147.11658	6.2
149.09613	4.8
149.13240	11.9
158.10884	7.7
161.09572	1.5
163.14799	4.3
171.41426	1.3
173.13286	20.5
191.14308	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
57.03425	2.9
57.07067	2.5
67.05495	4.9
69.03431	21.3
69.07073	9.5
69.45681	8.6
71.04989	1.5
72.60157	1.1
76.17358	1.2
79.05476	11.0
81.07058	9.4
83.04979	12.7
83.08600	1.8
85.06541	2.8
89.01860	1.1
91.05483	10.7
93.07056	9.9
95.04958	1.9
95.08604	7.8
97.06532	2.0
103.05431	1.7
105.07040	17.6
107.04950	5.9
107.08592	40.5
109.06514	4.6
109.10160	10.9
111.08134	1.6
115.05376	1.2
117.07002	1.9
118.59504	1.2
119.08567	8.7
121.06519	5.9
121.10158	23.7
122.07245	3.1
123.08056	3.3
129.06982	2.1
131.08577	14.7
133.10133	95.1
134.35265	1.2
135.08049	14.6
135.11667	4.7
136.08797	1.3
137.09610	11.4
143.08588	6.3
145.10153	7.7
147.11702	7.9
149.09627	5.9
149.13254	13.1
158.10942	7.8
161.09627	4.3
163.11040	1.4
163.14835	2.4
173.13275	25.5
176.11920	2.2
191.10670	2.9
191.14308	100.0
199.66536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03160	1.1
53.03943	1.0
55.05519	4.7
57.03429	1.4
67.05502	5.1
69.03431	12.5
69.07072	5.7
69.37243	7.9
69.37634	1.7
76.73128	0.9
79.05495	12.4
81.07059	11.0
83.04969	3.4
83.08636	1.2
91.05479	7.2
93.07047	8.9
93.85074	1.0
95.08588	4.2
97.06532	1.5
105.07031	12.7
107.04959	6.7
107.08596	30.5
109.06512	3.0
109.10148	8.1
111.82082	1.1
115.05429	1.9
117.06976	2.2
118.07809	1.0
119.08582	7.6
119.93089	1.0
121.06476	4.6
121.10131	17.3
122.07271	3.7
123.08043	3.0
127.88997	1.0
129.07004	1.1
131.08568	7.8
133.10132	100.0
135.08093	6.5
135.11650	3.0
137.09616	13.8
143.08545	3.1
144.09338	1.5
145.10110	6.6
147.11659	3.5
149.09567	1.8
149.13254	11.9
158.10904	5.7
163.14822	2.9
173.13266	17.7
191.10683	1.4
191.14304	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01860	1.2
55.05517	3.0
55.05740	0.7
57.07066	1.2
65.92256	0.7
67.05498	2.2
67.18924	0.6
69.03432	12.4
69.07073	4.5
69.71113	4.3
77.36629	0.6
79.05470	2.1
81.07047	2.3
83.04982	9.3
83.08605	1.6
91.05487	4.6
93.07037	3.8
95.08595	2.3
97.06552	1.4
105.07024	5.1
107.08597	17.4
109.06508	2.5
109.10162	1.2
111.66405	0.6
116.39220	0.6
117.06987	1.2
119.08578	5.3
121.06533	3.8
121.10138	7.9
123.08102	1.1
131.08560	7.8
133.09204	1.1
133.10138	10.3
135.07086	1.0
135.08058	11.2
135.11711	1.8
136.08835	1.4
137.09647	0.8
143.08566	3.3
144.09341	1.0
145.10120	3.9
147.07997	0.9
147.11700	5.7
148.08829	1.1
149.09625	2.9
149.13275	3.4
154.99075	0.7
158.10915	5.5
161.09619	3.8
163.14771	0.8
173.13260	12.5
176.11964	2.8
191.14305	100.0
192.14603	1.5
209.62234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.60059	1.0
55.01862	1.8
55.05511	6.3
55.50557	1.1
57.03417	1.1
57.07065	2.4
59.04986	2.9
65.03928	1.6
67.05505	5.5
69.03118	1.3
69.03432	15.1
69.06762	1.2
69.07069	11.7
70.08901	2.6
70.09298	2.2
71.04986	2.5
72.02394	1.0
79.05488	10.0
81.07069	9.7
83.04980	11.1
83.08607	4.8
85.06522	2.7
91.05477	13.3
92.65713	0.9
93.07050	15.8
95.04958	3.5
95.08620	8.7
97.06545	5.7
103.05447	5.0
105.07034	27.2
107.04948	2.3
107.08597	32.0
109.06489	5.0
109.10155	5.9
110.41898	1.0
111.08071	1.8
115.05470	1.5
117.07016	5.9
119.08572	16.0
121.06519	9.6
121.10137	20.9
123.08064	4.4
129.07011	2.6
131.04938	3.2
131.08572	24.7
133.10130	64.2
135.08051	18.0
135.11708	6.0
137.09657	1.8
137.60789	1.2
143.08598	6.5
144.09309	3.3
145.10130	13.9
147.08009	1.4
147.11671	11.4
148.05167	2.6
148.08846	1.9
149.09636	12.5
149.13251	11.2
158.10886	9.8
161.09607	2.8
163.07483	2.5
163.11212	2.6
163.14836	4.4
173.09651	1.3
173.13263	32.2
176.11972	1.6
191.07024	3.9
191.10730	5.2
191.14310	100.0
191.17885	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05514	5.8
57.03443	1.5
57.07081	2.3
64.80287	1.0
65.03923	1.6
67.05509	5.3
69.03432	15.0
69.07070	7.4
69.77018	1.8
69.77415	6.8
70.22679	1.1
71.04997	2.2
79.05497	7.1
81.07043	4.6
83.04989	12.2
83.08624	2.5
85.06502	1.3
91.05492	11.0
93.07057	9.9
95.04969	2.9
95.08602	6.3
96.66014	1.0
97.06528	4.3
103.05487	2.1
105.07040	17.3
107.08604	32.0
109.06519	4.6
109.10165	4.3
115.05476	1.6
117.07011	4.0
119.08585	14.3
121.05727	1.0
121.06471	5.1
121.10147	16.5
123.08028	3.7
129.06992	3.2
130.07793	1.0
131.08560	21.8
133.10130	46.0
134.10707	1.1
135.08060	17.6
135.11668	1.9
143.08556	6.4
144.09413	1.8
145.10136	11.1
147.11681	11.4
148.08812	1.4
149.09604	3.6
149.13254	7.7
156.14111	1.0
158.10931	11.5
161.09671	6.6
163.14838	2.0
173.13271	29.6
176.11914	1.6
191.08348	2.0
191.14314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05515	4.8
56.28128	1.0
57.03426	1.3
57.07062	1.5
60.64569	1.0
64.46865	0.9
65.03941	1.4
67.05494	3.1
69.03433	13.2
69.07063	5.1
69.63110	1.7
69.63512	6.6
71.04980	3.7
73.88383	0.9
74.30120	1.0
79.05503	6.4
81.07056	5.8
83.04977	9.6
83.08623	1.7
85.06526	1.9
91.05486	10.2
93.07042	8.7
95.04974	2.4
95.08609	7.1
97.06547	5.9
98.20734	1.8
98.52959	1.0
103.05462	3.7
105.06366	1.9
105.07034	23.7
107.04952	1.2
107.08598	33.8
107.90126	1.0
109.06521	4.7
109.10149	2.5
112.57492	1.0
115.05437	1.5
117.07005	4.6
117.10520	0.9
119.08595	11.1
121.06457	4.8
121.10152	18.5
123.08071	6.5
123.11723	1.3
129.07007	3.1
131.04947	1.5
131.08569	30.6
133.06447	1.2
133.10132	68.5
135.08049	14.1
135.11693	4.9
143.08551	7.5
144.09325	2.6
145.10094	11.6
147.11705	10.0
148.05135	1.4
148.08839	1.1
149.09627	5.8
149.13258	14.4
158.10912	10.4
159.08022	1.3
161.09657	2.6
163.07562	3.1
163.11227	1.2
163.14793	3.6
173.09567	1.0
173.13268	39.1
176.04723	1.1
176.11913	1.6
191.07047	3.5
191.10663	3.3
191.14316	100.0
192.12949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03938	1.9
55.01863	0.9
55.05509	8.7
56.24920	0.9
56.96564	1.6
57.07059	2.2
61.02911	1.8
65.03914	1.3
67.05509	6.6
69.03410	2.2
69.07071	8.8
71.60896	1.1
75.02359	0.8
78.00134	2.1
79.05502	5.6
81.07066	12.1
83.04992	2.0
83.08609	2.8
84.04503	11.8
85.02916	3.3
85.04304	1.1
85.04835	11.2
86.03225	1.6
91.05487	12.4
92.12854	1.0
93.07062	6.4
95.04959	1.4
95.08612	29.8
97.10164	1.0
99.04444	1.4
103.05439	2.8
105.07032	35.7
107.08600	14.3
109.10165	5.6
112.04688	1.0
115.05449	1.4
117.07027	3.7
118.04160	2.9
119.08584	56.1
121.06474	1.1
121.10131	6.3
127.80347	0.9
128.06221	3.9
129.03371	36.8
129.07047	3.3
130.07841	1.7
131.04933	5.4
131.08577	9.3
133.06493	2.1
133.10136	42.3
134.06311	1.2
135.11708	1.2
143.08549	6.2
145.06400	1.4
145.10127	12.9
146.03616	2.5
146.07327	1.4
146.10864	3.9
147.08047	4.1
147.11694	36.1
156.09344	3.1
159.11670	4.8
159.34995	0.8
160.05145	1.3
160.12465	2.9
161.05986	12.5
161.09654	3.7
161.13283	8.9
171.08075	2.2
171.11676	5.7
174.06795	2.9
174.10313	2.1
174.14063	3.7
189.05470	72.8
189.09079	13.4
189.12770	15.0
189.16389	100.0
190.12633	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	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.03992	0.2
56.96627	0.9
58.29732	0.2
61.73904	0.2
63.35541	0.3
69.03484	0.4
71.35802	0.7
72.93846	0.2
85.02941	0.5
87.04510	0.3
89.03974	0.8
91.05539	0.3
95.14391	0.3
97.02960	0.5
98.97580	1.7
103.05521	0.4
116.04980	3.7
116.05775	0.3
116.98644	0.5
121.02903	1.0
121.06528	1.0
129.03418	0.4
130.03711	1.5
130.96318	0.3
131.46492	0.2
134.99597	0.4
144.04463	1.3
148.97371	0.6
149.02328	0.4
158.99680	0.4
162.05499	100.0
163.05815	0.7
163.07056	0.2
164.05963	0.3
169.54625	0.2
177.00560	0.2
189.70610	0.2
190.04953	33.3
191.05275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03935	1.1
55.05515	6.7
57.07065	1.4
65.03921	0.9
67.05506	10.1
69.03415	1.5
69.07064	6.9
69.35985	1.9
69.36403	5.1
76.95081	0.8
79.05492	9.2
81.07058	26.0
83.08609	1.7
84.04506	1.6
85.04829	1.8
91.05480	18.4
93.07055	15.8
95.04977	1.4
95.08608	45.4
97.10129	0.8
103.05520	0.9
105.07030	34.8
107.08600	21.9
109.10161	12.6
112.38789	0.7
115.03835	0.7
115.20130	0.8
117.07032	2.5
118.04224	1.1
119.04895	0.7
119.08584	44.5
121.10164	7.9
128.06207	1.6
129.03362	8.3
129.07001	1.3
131.04907	1.1
131.08569	4.8
133.10132	50.9
143.08568	1.5
145.10136	3.9
146.10838	2.1
147.07983	1.6
147.11688	26.2
159.08066	1.1
159.11673	2.1
160.12482	1.7
161.05972	4.1
161.09598	3.0
161.13272	13.8
171.11652	1.5
174.06798	1.0
174.14003	1.5
189.05458	16.9
189.09120	5.0
189.12811	5.3
189.16382	100.0
190.16681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97930	0.7
55.05510	3.6
67.05490	2.7
69.03429	7.8
69.07057	3.0
69.64637	0.8
70.57915	2.1
73.31136	0.7
79.05492	3.1
81.07059	3.9
83.04982	1.6
91.05470	8.6
93.07040	5.5
95.04953	2.4
95.08622	0.9
103.05450	1.0
105.07033	21.4
107.04903	0.9
107.08575	4.8
109.06491	1.7
115.05368	0.8
117.07012	3.3
119.04943	2.1
119.08578	40.7
121.06506	2.6
121.10111	2.7
128.06195	2.4
129.03377	2.6
129.06993	3.1
130.07780	0.9
131.08565	11.1
133.06491	4.5
133.10132	15.4
135.08051	5.2
141.06985	2.9
143.08560	4.5
145.06488	3.4
145.10159	4.4
146.07210	1.4
146.10895	1.8
147.08057	20.4
147.11679	20.4
149.09596	0.9
156.08070	1.0
156.09348	17.9
159.08049	17.6
159.11693	2.9
160.08823	7.2
161.09639	11.1
161.13252	21.8
171.11668	19.0
173.09615	1.4
174.10405	37.4
187.11182	0.8
189.05429	5.4
189.12743	100.0
190.13094	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01858	2.4
55.05508	7.7
56.96551	1.0
59.59897	1.0
64.79018	1.0
65.03931	1.0
67.05508	6.0
69.03416	4.4
69.07065	7.7
69.50916	7.3
71.04972	1.2
79.05493	12.9
79.19021	1.0
81.07056	21.7
83.04975	2.8
83.08625	1.3
84.04488	2.8
84.82961	0.9
85.02901	2.8
85.04835	2.6
91.05477	18.4
93.07043	15.4
95.04956	3.2
95.08603	14.3
97.06515	2.5
103.05462	3.8
105.03387	2.6
105.07030	56.5
107.04965	2.5
107.08593	11.7
109.06519	7.0
109.10141	2.8
115.05450	2.8
115.21252	1.1
117.07011	6.4
118.04137	3.5
119.05017	2.1
119.08579	88.4
121.06513	14.0
121.10151	2.5
123.08039	1.7
124.04645	1.4
128.06218	7.0
129.03365	38.0
129.07004	11.1
130.07762	2.3
131.04935	5.7
131.08548	11.1
132.05714	1.1
133.06490	9.7
133.10126	33.0
135.08026	1.9
141.06943	2.6
142.07791	1.5
143.08578	17.8
145.06516	3.0
145.10121	23.5
146.03656	1.7
146.07245	2.4
146.10826	3.1
147.04414	2.1
147.08049	25.9
147.11687	27.6
155.08524	1.5
156.09325	13.9
157.06519	2.1
159.04408	1.3
159.08052	4.0
159.11659	5.2
160.08813	3.7
160.12440	2.9
161.05984	13.8
161.09627	12.4
161.13251	44.6
161.14592	2.1
171.11700	27.6
174.06708	5.7
174.10394	5.6
189.03650	1.9
189.05464	66.9
189.09094	16.9
189.12741	100.0
189.16362	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61050	0.5
55.05515	1.4
61.93316	0.5
67.05487	1.7
69.03429	3.6
69.07063	1.3
69.33662	4.8
79.05478	1.9
81.07047	3.8
83.04980	1.2
83.08614	0.9
91.05483	5.3
93.07030	2.5
95.08615	6.5
98.21542	0.9
103.05412	1.2
104.22193	0.6
105.03383	1.0
105.07033	8.4
107.04952	1.0
107.06063	1.3
107.08581	2.6
109.10122	0.8
117.06985	1.9
118.04159	1.1
119.08583	27.0
119.09449	1.3
121.06508	7.9
121.10120	1.4
128.06218	1.1
129.03372	11.6
129.05399	0.6
129.07011	2.3
131.04935	1.4
131.08548	1.9
132.05707	2.4
133.06505	1.1
133.10138	8.9
135.08031	1.1
139.67667	0.6
143.08594	1.3
145.06471	4.7
145.10104	1.5
146.03600	0.8
146.07236	2.7
147.08046	72.6
147.11681	6.7
148.08559	1.8
149.02357	1.3
156.09364	1.1
157.07632	0.9
159.08043	4.9
159.11714	1.0
160.08820	11.1
160.12645	0.6
161.02316	0.8
161.05963	2.6
161.09618	7.2
161.13277	3.3
171.11665	2.1
174.10390	7.8
189.05463	19.1
189.09135	2.6
189.12741	100.0
189.16345	14.3
190.13068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05511	0.7
56.05030	2.1
56.96553	1.0
57.03428	1.1
59.04996	2.5
59.57898	0.4
60.04516	1.5
61.02631	0.6
61.02924	8.9
64.47604	0.3
67.04256	0.4
67.05513	0.8
68.05022	0.3
69.03417	1.4
69.07098	0.4
70.02954	2.9
70.98087	0.4
71.01360	0.5
71.04991	1.1
71.61223	0.4
72.14688	0.3
74.06086	0.4
75.04472	0.8
81.07068	0.4
82.06575	3.0
83.04987	4.4
84.04502	100.0
85.02903	21.1
85.04836	0.4
86.06080	0.8
87.04468	6.1
91.05492	0.8
95.08617	0.5
98.06026	0.6
100.07628	2.5
103.08410	0.3
105.07031	1.2
110.06045	3.3
111.04447	1.5
119.08598	1.0
120.08881	0.4
126.05513	4.7
128.07074	5.7
129.03371	2.3
129.05507	1.1
131.08644	0.6
132.08926	1.2
133.10106	0.7
142.07349	0.4
142.08620	0.4
143.08572	0.4
144.08920	0.4
145.10121	1.2
146.08121	1.2
146.10449	3.3
146.91821	0.4
160.12073	1.2
170.08142	0.7
171.06635	0.4
173.13065	0.4
181.04941	0.8
188.07913	0.7
188.09245	8.9
188.11632	0.8
188.15092	4.0
189.05479	3.6
189.09134	0.6
189.12756	0.4
189.16389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.092
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
53.03989	2.1
55.01871	4.0
55.05515	8.2
56.05042	7.4
56.96572	16.0
57.03438	8.2
57.04604	2.7
59.05045	1.8
60.04528	7.7
61.02930	4.6
65.03979	1.5
67.05514	6.1
68.05035	3.3
68.99825	0.7
69.03435	14.0
69.07059	5.2
70.02302	2.1
70.06229	0.7
70.06595	19.9
70.99905	0.8
71.01375	1.3
71.04995	8.2
71.95318	0.9
72.04558	1.1
72.08164	4.0
73.02920	7.5
74.02494	0.7
74.06094	1.4
74.07245	1.0
74.64596	0.6
77.00946	0.9
79.05500	3.9
80.05057	0.8
81.03429	5.6
81.03819	0.5
81.07097	1.6
82.03786	0.8
82.06584	6.9
82.99880	1.0
83.01386	0.9
83.04990	11.0
83.05439	0.8
84.04506	14.0
84.08161	4.7
84.96069	1.6
85.02906	12.9
85.06579	0.7
85.08482	0.6
86.06098	1.4
86.09745	1.4
87.04464	3.8
88.01858	0.8
88.02727	1.1
88.04029	1.0
88.07657	1.2
88.99210	0.7
90.01614	1.3
94.06644	0.7
95.05026	2.0
96.01591	1.1
96.04515	1.0
96.08136	23.5
96.08731	1.2
97.02905	16.1
97.03476	1.1
97.06538	0.9
98.06120	1.8
98.20730	0.8
98.97587	18.6
99.04453	5.5
100.02644	0.7
100.07632	10.9
100.08248	0.8
100.99160	0.7
101.00884	5.6
101.02422	2.3
101.03457	1.3
101.06015	5.5
102.01027	1.1
102.02391	1.5
102.05608	0.7
103.00661	1.0
103.02479	2.7
103.03127	0.6
103.03953	0.6
104.01308	0.8
105.02056	0.6
106.02755	0.8
107.05009	2.2
109.02943	2.4
110.01320	2.6
110.06048	7.8
110.97570	3.2
111.02133	0.7
111.02933	1.1
111.04488	2.4
112.99147	4.6
113.00871	1.5
113.03514	1.1
114.02462	0.7
114.05539	40.3
114.09169	10.4
115.02454	2.1
115.03206	0.8
115.03970	2.6
116.07130	1.1
116.98616	5.9
117.02143	1.5
117.04034	1.4
117.07420	0.7
119.01903	10.7
119.03582	0.7
119.99932	0.6
120.01992	3.4
120.03318	0.8
121.01666	1.3
122.06075	0.9
123.02947	1.2
124.07597	6.3
124.99194	0.7
125.06024	2.4
125.80658	0.6
126.09128	0.7
127.02428	1.4
127.03860	3.1
128.02333	2.3
128.07088	15.6
128.98602	3.5
129.02016	1.4
129.03246	0.9
129.04083	1.2
129.05502	2.7
129.06400	0.6
131.00214	3.9
131.01889	5.8
133.01714	1.0
133.03476	3.8
133.04288	1.5
133.54323	0.9
134.04012	0.8
134.99706	0.8
135.04369	1.6
137.02847	1.0
138.03447	1.5
140.02324	4.9
140.05037	1.8
140.07091	1.3
141.03091	0.7
142.08644	100.0
142.12271	1.9
143.00156	2.2
143.01889	5.6
143.08911	0.8
144.11356	0.7
145.01669	1.9
145.03282	4.8
145.04295	2.4
145.05161	0.8
145.54300	1.5
146.04094	0.9
146.08131	21.0
146.99622	1.8
147.03174	2.2
147.05054	2.6
148.03877	1.2
149.01190	1.1
149.02863	2.3
152.07074	2.1
152.10698	0.9
153.04076	0.8
153.05524	1.5
154.02069	0.8
154.03859	0.9
155.01892	2.1
156.03664	0.8
156.12115	1.8
157.01384	1.7
157.03433	3.0
158.03726	0.7
158.99661	3.4
159.01389	0.9
159.03015	0.7
159.05061	1.8
160.04749	0.8
161.01221	2.9
161.02972	4.7
162.03279	0.7
162.99095	0.8
163.02654	1.7
163.04593	1.3
165.00720	1.3
167.05592	1.8
168.03629	7.6
170.08127	9.8
170.11798	1.9
171.04984	2.9
173.01196	2.2
173.02948	2.7
174.06125	0.9
175.04510	1.5
176.03354	4.1
176.04999	1.4
177.00702	2.6
177.04109	5.0
179.54338	0.8
183.14891	1.0
185.02892	1.3
187.04462	1.5
188.04602	1.5
188.07901	1.2
188.09135	26.9
188.10663	1.6
188.12804	6.0
189.00645	1.7
189.04140	0.8
189.05984	4.0
191.02170	1.0
201.00606	0.7
203.03941	1.1
207.01775	1.8
207.07066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05527	1.2
56.05033	1.8
56.96567	0.7
57.03442	1.1
57.07084	0.2
58.06589	0.3
58.32640	0.2
59.04782	0.2
59.05007	2.5
60.04520	1.0
60.07408	0.2
60.66888	0.2
61.02928	8.4
65.90530	0.2
67.05486	0.3
68.05019	0.3
69.03419	1.2
69.07083	0.3
70.02953	2.4
70.89365	0.6
71.04990	1.6
72.04501	0.5
72.08164	0.4
73.02897	0.4
75.04472	0.6
79.05525	0.3
81.07029	0.3
82.06587	3.2
83.04986	4.4
84.04506	100.0
85.02906	20.0
85.04840	0.4
86.06075	0.8
87.04473	6.2
91.05489	0.5
93.07066	0.3
95.08598	0.5
96.04488	0.4
98.06045	0.5
98.97618	0.2
100.07617	2.0
105.07034	0.9
106.07374	0.2
110.06055	3.0
111.04414	1.5
115.05528	0.3
117.49406	0.3
118.07408	0.4
118.88382	0.3
119.08592	0.9
126.05526	5.1
128.07079	5.5
129.03381	1.0
129.05513	1.1
131.08647	0.4
132.08897	0.6
133.10100	0.5
142.08600	0.3
145.06201	0.3
145.10066	0.6
146.08171	1.2
146.10449	2.2
147.06512	0.3
147.11691	0.4
157.06609	0.3
159.11571	0.3
160.08469	0.4
160.12027	0.6
161.05962	0.4
170.08144	0.8
171.06520	0.4
174.10316	0.3
188.07838	0.4
188.09216	8.1
188.11708	0.5
188.15176	2.2
189.05481	2.0
189.09166	0.8
189.12791	0.8
189.16393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	N-(3-Hydroxybutanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05500	0.9
56.05031	2.3
56.95430	0.4
56.96552	0.7
57.03427	1.4
57.53981	0.3
59.05000	2.1
60.04510	1.1
61.02635	0.6
61.02927	8.5
63.02053	0.3
65.23072	0.4
65.23415	0.3
67.04273	0.3
67.05495	0.5
68.05031	0.4
69.03421	1.2
69.07073	0.5
70.02958	2.8
71.01360	0.4
71.04974	1.9
71.17980	0.7
75.04470	0.6
81.07084	0.4
82.06588	3.5
82.07398	0.5
83.04984	4.8
83.85538	0.4
84.04503	100.0
85.02901	20.0
85.03667	0.4
86.06052	0.7
87.04467	6.7
87.41811	0.4
91.05496	0.4
96.04437	0.4
98.06075	0.5
100.07587	1.7
101.06052	0.4
102.05617	0.4
103.50842	0.3
105.07040	0.5
108.09019	0.4
110.06023	3.1
111.04452	1.4
112.64078	0.3
117.79922	0.3
118.06530	0.4
126.05525	5.0
128.07082	5.9
129.03369	1.7
129.05496	1.2
141.03856	0.3
142.08655	0.3
146.03804	0.4
146.08159	0.4
146.91670	0.3
154.37766	0.3
161.05972	0.6
170.08095	0.9
188.07753	0.7
188.09236	8.0
188.10757	0.4
189.05502	2.7
189.09239	0.7
189.12787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05513	0.8
56.05037	2.1
56.96562	1.0
57.03436	0.8
57.07074	0.7
58.06590	0.5
59.05016	2.3
60.04531	1.9
61.02932	8.4
65.31726	0.3
67.05481	0.5
68.05034	0.4
69.03423	1.5
69.61303	0.3
70.02962	2.6
70.06605	0.4
71.01360	0.5
71.04989	1.3
72.04525	0.7
76.40409	0.4
81.03376	0.4
82.06590	3.3
83.04985	4.6
84.04510	100.0
85.02909	19.1
86.06057	0.8
87.04478	6.3
87.04968	0.7
91.05508	0.4
98.06078	0.7
99.04464	0.3
100.07619	2.3
105.07046	0.4
105.94362	0.5
106.96584	0.4
109.52968	0.3
110.06045	3.5
111.04470	1.7
112.03949	0.5
119.08613	0.5
126.05529	4.1
128.07089	5.9
128.08041	0.4
129.03384	1.5
129.05481	1.1
132.08952	0.8
142.08643	0.7
146.08145	1.3
146.10480	1.4
146.91859	1.1
150.77002	0.3
152.07162	0.4
160.09828	0.4
161.06020	0.6
162.91022	0.3
164.92940	0.6
170.08141	1.3
175.51450	0.4
177.42194	0.4
188.07430	0.8
188.09187	8.8
188.15149	1.2
189.05484	3.8
189.16428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
54.36138	0.3
55.05507	0.8
56.05037	2.2
57.03422	1.3
57.06767	0.3
59.04994	2.6
60.04513	1.3
61.02628	0.6
61.02925	7.8
67.05502	0.4
68.05028	0.6
69.03419	1.0
70.02953	1.9
71.04987	1.2
71.15195	0.9
75.04472	0.8
82.06589	3.1
83.04976	3.4
84.04502	100.0
85.02903	21.7
85.98614	0.4
86.06062	1.0
87.04466	4.9
91.05519	0.3
96.04488	0.4
98.06050	0.6
100.07630	1.4
103.05457	0.5
110.06037	2.3
111.04446	1.5
120.08101	0.6
126.05513	5.0
128.07079	6.3
129.05478	1.4
146.08093	0.7
147.06490	0.4
151.83093	0.3
161.06024	0.6
170.08083	0.5
171.06575	0.5
187.44379	0.4
188.09190	9.1
189.05534	0.7
189.09164	0.9
189.12805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.43284	0.4
55.05497	0.7
56.05037	1.7
57.03428	1.2
59.04995	2.5
60.04522	1.2
61.02930	8.4
66.22243	0.4
69.03416	0.6
69.55884	3.1
70.02962	2.6
71.04992	1.5
73.92553	0.4
75.04523	0.6
82.06577	3.5
83.04987	4.2
84.04504	100.0
85.02908	21.0
85.03333	0.4
85.04841	0.5
86.06071	0.9
87.04462	6.3
96.04469	0.6
98.06060	0.8
100.07635	1.2
110.06050	3.6
111.04447	1.3
112.04006	0.5
119.08592	0.9
122.45222	0.4
126.05514	5.4
126.06359	0.5
128.07080	5.5
129.05473	0.9
145.10199	0.7
146.08147	0.7
146.10437	3.3
147.06567	0.7
159.11330	0.4
164.52534	0.4
170.08234	0.4
188.09178	9.6
188.10730	0.8
188.15147	2.6
189.16367	0.5
197.56071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.48037	0.3
55.05507	0.6
56.05029	2.3
57.03436	1.0
59.05000	2.6
60.04517	1.0
61.02634	0.6
61.02931	9.1
67.16238	0.3
68.05032	0.6
69.03429	0.7
70.02959	3.1
70.10576	1.0
71.04999	1.5
72.08147	0.6
75.04481	0.7
82.06591	2.9
82.41504	0.3
83.04990	3.9
84.04505	100.0
85.02905	20.6
85.03428	0.8
86.06091	0.6
87.04474	6.7
91.05506	0.4
96.04547	0.5
98.06042	0.6
100.07612	1.2
102.32973	0.4
110.06055	2.9
111.04472	1.0
119.08584	0.5
120.08936	0.6
126.05508	4.5
128.07080	4.2
129.05470	1.5
132.08940	0.5
136.52328	0.3
145.10143	0.8
146.08105	0.7
146.10440	2.8
170.08195	1.0
188.09192	8.9
188.15131	1.7
189.05496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05498	1.1
56.05032	2.0
56.96558	0.6
57.03440	1.2
59.04995	3.0
59.45311	0.4
59.54994	0.3
60.04515	1.2
61.02631	0.6
61.02929	8.8
68.05037	0.6
69.03420	1.5
69.35900	3.3
70.02953	2.4
70.31508	0.4
71.01354	0.6
71.04980	1.3
75.04472	0.9
79.05499	0.4
81.03452	0.4
81.07053	0.5
82.06587	3.3
83.04978	4.7
84.04504	100.0
85.02906	18.5
85.04839	0.4
86.06075	0.4
87.04463	4.9
91.05497	0.6
100.07619	2.1
105.03410	0.6
105.07040	1.2
110.06039	3.2
111.04440	1.3
112.04011	0.6
119.08592	1.0
126.05522	5.0
128.06186	0.8
128.07069	6.2
128.07939	0.6
129.03316	1.9
129.05496	1.4
131.08545	0.7
132.08907	0.7
133.10133	0.6
142.08647	0.5
143.67683	0.4
145.06114	0.4
145.10106	0.9
146.08145	1.1
146.10455	1.8
146.91817	0.7
147.06552	0.4
160.12039	0.9
161.13239	0.5
170.08180	0.5
173.13152	0.4
188.07796	0.6
188.09235	8.8
188.11014	0.4
188.11673	0.5
188.15190	1.7
189.05453	3.1
189.09151	0.7
189.12827	1.3
189.16441	0.9
202.67633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96571	2.8
57.03411	0.5
61.02926	0.4
69.07075	0.4
71.09230	1.0
82.06592	0.5
83.04982	0.6
84.04507	3.8
84.96002	0.4
85.02905	1.6
85.06404	0.4
87.04485	0.7
91.05471	3.9
97.02879	0.5
98.97568	1.9
103.05473	1.1
115.05458	5.9
115.53846	0.3
116.98673	0.9
117.05757	1.3
117.07010	4.7
118.06545	70.3
119.01865	0.4
119.06861	0.5
120.26933	0.3
128.02335	1.2
128.04965	0.5
128.07074	0.5
129.03352	1.6
132.08087	0.6
136.24693	0.4
142.06517	5.7
143.07301	11.1
144.01065	0.4
144.04416	0.9
144.08087	25.5
145.06413	0.7
146.06010	100.0
146.91862	0.7
147.06316	1.1
155.06071	1.0
155.09590	0.4
160.07570	1.2
161.06049	0.9
163.03874	0.7
164.92969	0.5
170.05992	8.8
170.08183	0.7
188.07074	18.5
188.09009	1.2
188.10614	0.8
189.05475	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81255	0.8
55.05489	1.8
56.05039	1.4
56.96569	9.0
57.03435	1.5
61.02916	2.6
61.80670	0.8
67.05507	1.3
69.03419	3.8
69.07077	1.3
70.95868	1.0
71.04988	2.7
71.11922	1.8
73.02911	2.1
79.05500	1.0
79.07449	0.8
81.03398	1.7
82.06569	1.8
83.04967	2.6
84.04502	17.8
84.08186	1.0
84.96033	1.9
85.02422	0.9
85.02888	5.3
87.04474	1.2
91.05493	4.6
92.08656	1.0
97.02868	4.3
97.57202	1.1
98.97565	4.1
100.07619	3.6
103.05467	1.0
113.00896	1.0
115.05436	6.1
116.98610	3.4
117.05751	2.0
117.07015	5.3
118.06543	74.2
119.01904	1.5
127.03944	1.5
128.02312	2.5
128.07066	1.8
129.03352	9.8
132.95853	1.1
140.10710	3.5
142.04977	1.0
142.06546	5.6
142.08652	2.6
143.01886	3.1
143.07288	11.0
144.01100	1.2
144.04410	1.2
144.08093	25.5
145.06435	1.5
146.06007	100.0
146.91818	1.8
146.99635	1.3
147.06331	1.3
152.10713	1.6
155.01915	2.0
155.06110	1.2
158.99643	1.2
160.07509	1.3
160.09660	1.2
161.01466	0.8
161.02957	3.2
161.05972	4.6
163.03960	1.1
164.92955	1.0
165.61989	1.2
170.05986	9.1
170.11772	11.8
173.02928	2.0
174.96788	1.2
176.05110	1.6
177.00807	1.4
188.07077	21.9
188.09122	3.4
188.10590	1.2
188.12918	1.2
189.05475	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.70576	1.3
53.03933	3.0
54.97832	1.2
55.05507	5.4
56.96553	2.6
57.07056	2.4
57.43729	1.2
59.04992	3.1
60.66238	1.4
67.05513	7.5
69.03425	2.9
69.07071	21.4
70.58568	1.1
71.04991	22.2
71.96673	1.6
79.05493	22.7
80.43437	1.2
81.03424	1.7
81.07056	100.0
83.04978	6.9
83.08616	1.9
85.06538	1.5
87.08115	1.9
87.97253	1.3
88.02229	1.5
91.05492	2.9
93.07047	4.1
95.04974	2.2
95.08624	2.6
96.46217	1.1
97.06522	8.0
98.97587	4.2
99.08085	5.3
101.05959	1.9
105.07027	3.1
107.08591	11.7
109.06528	2.8
109.10155	20.9
111.08073	3.9
111.11722	9.0
121.10144	2.2
123.08083	2.5
123.11707	16.5
127.03928	8.7
131.08493	1.7
133.10164	1.8
139.11220	7.2
141.05479	3.5
145.10165	2.0
151.11168	9.1
155.03415	6.5
157.12157	2.3
158.99536	2.2
159.08002	1.6
169.12219	5.1
172.05144	1.8
176.05273	2.0
187.07561	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03949	3.4
55.05513	3.0
56.96584	1.5
57.07069	2.3
59.04998	3.7
67.05502	8.2
68.99773	1.7
69.03426	1.4
69.07067	16.6
71.04993	22.4
71.14955	1.5
79.05496	21.6
81.03400	2.1
81.07058	100.0
83.04967	5.5
83.08591	1.5
84.04513	1.4
85.06525	2.3
88.02187	1.4
91.05466	1.9
93.07029	4.6
95.04967	3.0
95.08635	2.7
97.06512	3.9
97.10206	1.9
98.97575	2.1
99.04485	1.5
99.08088	4.9
101.06026	1.4
107.08584	12.7
109.02880	3.0
109.06531	3.1
109.10159	19.9
111.08077	3.7
111.11712	5.4
112.01556	4.6
121.10147	2.8
123.11715	21.9
127.03925	20.2
133.10141	3.1
138.74182	1.4
139.11194	8.6
141.05453	4.8
151.11186	11.1
155.03394	15.8
157.12238	2.7
169.12233	3.9
187.07498	1.4
190.32224	1.6
195.11327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.17205	2.5
53.03936	4.4
53.14765	2.1
55.01853	8.1
55.05505	10.4
56.96553	6.1
57.03437	2.7
57.07067	6.8
59.05000	19.7
67.05499	17.5
69.03429	25.3
69.07068	25.0
69.62895	2.5
70.14113	12.4
71.04640	2.8
71.04998	28.6
72.08150	7.3
73.06547	2.3
74.75219	2.5
79.05501	24.6
81.03394	3.9
81.07059	100.0
81.78365	2.6
82.06573	4.2
83.04971	7.2
83.08591	4.7
85.02906	3.9
85.06526	16.4
87.04472	9.1
88.02197	9.3
91.05474	12.0
92.13353	2.7
93.07054	16.3
95.04961	6.4
95.08589	8.1
97.02883	4.4
97.06528	39.4
97.10164	2.6
98.97600	15.0
99.04472	2.5
99.08083	7.1
105.07024	9.7
107.08611	26.5
109.06516	9.2
109.10152	37.5
111.08059	4.9
111.11681	8.1
115.05419	4.0
115.07541	3.5
116.98589	5.7
117.07063	3.4
121.10146	7.6
123.08084	4.0
123.11708	32.5
127.07571	2.7
129.07004	4.0
131.04938	4.7
131.08559	9.6
133.10120	7.3
139.11179	10.6
141.06984	4.6
142.08644	5.1
143.01822	3.3
144.05682	10.0
145.10176	6.1
151.11172	28.3
157.12248	5.9
158.99648	4.4
159.08076	6.9
159.11655	5.5
161.02942	4.1
169.12213	24.8
172.05165	9.4
172.08826	3.9
177.00690	2.9
177.70227	2.7
187.03865	4.1
187.07510	29.0
187.11162	12.2
187.13132	3.0
187.14798	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	185.0808
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
55.05514	0.7
65.03936	1.4
67.05486	1.6
68.99781	1.5
69.07060	0.8
71.24341	1.1
75.04472	1.6
79.01852	2.0
79.05489	1.2
82.04189	2.3
83.04952	0.8
93.03413	1.6
93.07023	1.4
95.01333	6.6
95.04958	1.9
97.06539	0.8
98.97595	3.1
99.04454	1.4
102.96859	1.3
107.01283	1.3
107.08582	1.2
110.03660	28.5
111.04457	6.0
116.98724	0.6
120.02077	0.6
123.04411	2.0
125.05990	75.9
127.03889	4.6
138.03117	1.4
139.03900	19.8
140.04691	1.2
142.06262	0.8
153.05461	100.0
154.06244	42.6
155.03381	2.1
155.06938	1.2
156.04182	0.9
158.99583	1.1
170.05748	6.1
177.00656	0.8
185.08087	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03923	2.0
54.30796	0.9
55.01621	1.1
55.01875	19.0
55.05511	30.0
56.96559	2.4
57.03448	2.1
57.07061	1.4
67.05501	12.1
69.03417	2.9
69.07067	27.9
70.72451	2.9
71.04994	31.9
71.05396	1.6
79.05055	1.8
79.05492	24.2
81.07063	6.6
83.04981	11.0
83.08602	1.8
85.02907	2.0
85.06545	7.3
86.48925	1.0
87.04470	45.8
91.05483	5.2
93.06467	1.7
93.07049	29.9
94.18486	1.0
95.04964	3.0
95.08131	1.1
95.08614	12.2
97.06532	54.3
97.10144	2.3
99.04456	3.0
101.02382	2.1
101.06028	2.2
101.98257	0.9
102.96848	3.8
105.07022	6.0
107.08597	38.2
109.06483	1.2
109.10123	1.7
110.03650	3.1
111.04446	5.7
111.08051	1.2
113.06009	100.0
115.03934	9.7
119.01864	1.3
119.08584	2.4
120.01980	1.5
120.97923	2.4
121.00754	1.4
121.06550	1.4
121.09299	2.0
121.10148	36.0
123.08073	5.1
125.06004	28.8
125.09633	73.9
129.06955	1.2
131.08572	11.2
134.44356	0.9
138.98946	1.2
139.03889	2.1
139.07521	1.1
139.11186	47.1
143.00163	2.4
143.07004	1.5
149.09624	18.8
153.05487	7.4
154.06209	2.4
161.01224	1.1
163.01819	1.5
167.07019	1.0
167.10683	31.2
181.02870	2.8
185.08089	2.2
185.11778	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01870	2.4
56.05033	1.2
56.43269	1.1
56.96556	1.9
57.03433	5.0
57.89837	1.0
58.06600	1.7
60.07875	1.2
60.08168	20.1
61.02921	3.4
66.02238	1.0
67.05494	1.3
69.03425	5.4
70.03756	1.2
70.06573	1.0
71.04955	1.2
71.07377	11.1
71.60626	1.0
73.02924	13.3
74.03236	1.4
81.03419	2.5
82.06581	1.1
82.99805	1.0
85.02911	8.4
86.03227	1.6
86.09708	100.0
95.05000	1.5
97.02885	5.5
98.94374	1.0
98.97584	1.8
98.98474	17.0
99.04443	1.2
101.00878	14.8
103.00639	2.1
104.10746	19.5
106.56461	1.1
110.01272	1.4
110.06085	1.9
111.52988	2.1
113.00888	1.4
115.00611	1.9
115.02412	1.8
119.01920	35.3
120.02003	3.2
120.08138	1.1
121.01652	2.8
124.04797	1.2
125.00007	81.1
127.03910	1.8
128.02347	1.3
129.02206	1.3
131.01906	2.9
132.01996	2.4
133.01683	3.3
133.03372	1.5
137.02075	1.0
137.02936	6.2
138.05486	7.1
138.09178	1.2
138.53575	1.0
139.01567	1.6
142.03554	5.5
143.01910	8.6
144.02045	3.1
144.98056	1.0
145.01659	3.9
145.03433	1.7
146.03607	1.9
146.99561	1.3
147.01378	1.8
148.03923	5.4
155.01897	2.2
156.02057	2.9
156.06551	2.4
157.01666	2.2
157.03474	2.5
157.04625	1.1
158.03589	1.3
159.03406	1.3
160.04587	1.5
161.02974	10.5
162.03210	2.3
163.02762	3.8
166.05020	8.0
166.08604	1.8
168.02043	1.4
170.02907	1.0
173.03055	2.8
174.03098	3.8
175.02759	3.4
179.04042	2.7
184.07385	97.3
185.02907	1.6
186.03310	2.4
187.02725	4.2
195.06944	1.0
198.03275	1.1
203.04089	1.2
204.04214	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	185.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.05515	1.5
56.96571	12.5
57.03439	5.7
58.99856	1.8
68.98280	1.1
69.03419	2.3
70.47174	0.8
71.00970	1.0
71.01288	1.7
71.05017	1.5
71.95269	0.9
73.02906	2.6
81.03408	1.5
82.99841	6.5
83.99920	2.8
84.96024	1.3
85.02912	36.8
86.06054	2.0
86.08138	0.9
97.01412	5.6
97.02898	2.6
98.01438	1.4
98.97593	8.0
99.02984	4.5
100.03066	1.0
100.03786	0.8
101.00888	58.4
102.00952	22.5
102.96871	3.1
103.00646	3.5
110.01271	1.2
110.97550	2.0
111.04465	0.9
113.00875	5.1
114.05495	1.2
115.02444	17.9
116.02559	3.0
116.98625	3.0
117.02184	0.9
117.04008	23.9
118.04102	3.6
119.01931	100.0
120.02012	59.4
120.97883	2.0
121.01668	8.3
124.99094	1.7
125.00900	1.5
125.02594	2.2
127.02447	1.5
127.03909	2.7
128.98607	1.7
131.01889	8.0
133.03470	7.3
134.03543	2.6
135.05049	10.9
136.05165	1.9
137.02968	15.6
138.03078	11.9
139.02443	8.0
141.04008	0.8
141.05615	2.2
142.03516	3.4
143.00168	1.6
143.01920	21.7
143.03606	13.2
144.02039	6.0
144.03273	3.3
145.01678	1.1
145.03458	6.8
149.03009	1.0
155.01894	2.9
156.08823	1.0
157.03482	75.9
158.03542	1.8
158.99681	1.9
159.05035	11.9
159.06454	0.9
159.06917	1.1
160.04657	1.0
161.02968	62.6
161.04706	3.0
162.03111	16.2
162.04396	2.2
163.02763	1.2
167.01904	3.5
173.02945	3.1
175.04544	18.2
175.06068	1.2
177.06084	4.7
179.04034	18.1
180.04086	8.3
184.00517	0.8
185.02966	47.9
185.04552	3.4
185.06416	1.4
185.09282	2.8
186.03081	1.1
203.04028	28.2
203.05862	1.3
204.04272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0606
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
55.01884	1.3
55.05508	0.6
56.96566	8.4
57.03439	2.0
60.08167	1.9
61.02925	0.7
65.03941	3.1
67.05518	1.1
68.05073	0.5
69.03416	2.9
70.98119	0.9
71.04985	1.5
71.40367	1.2
73.02917	3.4
81.01009	0.5
81.03416	1.3
82.06583	1.2
82.99847	1.3
83.00793	1.3
84.96035	0.7
85.02905	3.8
85.06581	0.9
86.06078	0.5
86.09705	9.0
89.00790	0.9
92.05011	2.3
95.04978	0.6
96.04470	0.7
96.05309	0.7
97.02878	2.8
98.97594	8.2
98.98474	2.4
101.00876	14.0
101.95045	1.0
102.00925	0.6
102.96926	0.8
103.00536	0.7
104.01291	0.7
104.10747	1.7
107.04954	1.6
108.52471	0.7
109.02905	0.8
110.01285	1.7
110.06055	1.4
110.97576	1.8
112.01022	1.0
114.06648	2.4
115.00610	0.6
116.98598	3.6
118.01031	0.7
119.01915	43.0
119.96062	0.6
120.02026	1.2
120.04494	2.5
121.01583	1.4
122.06050	0.7
124.00967	1.1
124.99187	0.9
125.00012	7.0
127.03918	1.0
128.02319	4.8
128.98610	2.0
131.01886	0.7
133.01556	2.2
137.02936	12.6
138.05505	9.8
139.01546	1.2
140.32961	0.5
141.02217	0.7
142.03502	8.2
143.00151	1.2
143.01921	2.3
144.98094	1.6
145.01506	1.5
146.99614	0.6
148.03934	86.4
152.07034	0.6
154.02061	1.1
156.06558	2.4
157.01732	0.5
158.99681	1.5
159.03267	1.3
160.04559	1.3
160.98920	0.7
161.01349	0.7
161.01559	0.8
161.02965	5.3
161.04646	3.2
162.99156	1.5
166.05000	100.0
167.05167	0.5
175.02678	0.7
179.04021	3.8
184.06041	16.9
184.07411	7.5
184.09634	2.4
184.11005	1.0
191.53488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02380	1.4
53.03949	16.8
55.01872	4.2
55.05496	1.2
56.96545	0.7
57.07077	0.6
65.03946	4.9
66.17554	0.5
67.05505	10.3
68.78329	0.5
69.03435	1.8
69.07056	1.2
70.85691	1.3
71.04993	1.2
77.03918	3.1
79.05486	1.3
81.03426	3.1
81.07037	3.0
83.04980	1.1
85.06565	1.1
91.05483	1.2
93.03403	0.9
93.07047	1.5
95.04971	100.0
95.08614	2.8
97.02859	1.0
97.06533	1.2
98.97591	2.0
98.98476	2.1
99.04472	1.6
105.03417	2.7
105.04517	7.1
105.07047	4.1
106.07333	0.6
107.08595	1.4
109.06532	0.9
109.10152	1.6
110.03635	0.7
111.04470	1.2
116.98598	0.8
119.08555	1.4
121.03992	0.8
121.10140	0.9
122.03640	0.6
123.04434	83.0
123.11704	2.0
124.04897	0.5
125.02364	5.0
125.05993	1.0
136.57932	0.5
137.06006	1.0
137.09550	1.2
139.03935	0.9
139.07530	0.7
140.04691	33.6
141.05101	0.5
141.06908	0.6
147.11745	0.9
153.05389	0.7
153.07027	1.0
155.07033	19.9
155.08401	1.4
158.99696	0.7
162.04376	0.6
165.05583	0.7
165.07346	0.5
165.09151	1.2
165.12698	0.6
168.09340	1.5
171.04962	1.0
177.00658	0.6
183.06609	5.6
183.09067	1.0
183.10280	0.8
183.11493	2.4
183.13780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03941	10.1
55.01882	7.1
55.05509	13.1
56.96559	2.3
57.03428	3.8
57.07073	10.0
57.95102	1.2
59.04995	3.2
65.03945	3.8
67.05506	22.9
69.03069	2.8
69.03428	45.9
69.07069	46.2
71.04998	14.6
71.61761	2.1
79.05492	17.5
81.03417	9.6
81.07054	100.0
83.04975	21.7
83.08614	4.8
85.02911	3.2
85.06539	16.5
87.04463	2.0
91.05466	7.6
93.07043	14.7
94.07361	2.8
95.04968	54.2
95.08604	38.2
97.02884	2.0
97.06529	10.6
97.10207	1.7
98.97565	1.6
98.98467	16.4
99.04457	37.2
99.08087	44.9
100.97172	4.0
101.95020	2.0
105.03397	15.1
105.04514	3.8
105.07051	10.3
106.34965	1.4
107.08598	15.8
109.06516	27.0
109.10162	19.8
111.04423	1.8
111.08077	9.0
113.05988	7.4
118.98186	2.4
118.99032	1.5
119.08577	12.1
121.10138	35.6
121.44427	1.6
122.10468	1.9
123.04427	36.7
123.08079	18.3
123.10815	4.3
123.11664	22.8
125.05975	2.9
125.09631	22.6
127.01599	1.8
127.07549	11.6
135.11693	3.6
136.99174	2.4
137.05957	3.0
137.09633	12.7
137.13237	6.4
139.07530	3.2
139.11169	25.9
140.04688	15.7
142.03474	2.1
147.08025	2.3
147.11691	9.7
153.06996	2.3
155.07039	7.5
155.08536	4.0
160.04558	2.2
165.09087	4.0
165.12787	16.5
168.09351	5.0
183.06538	6.5
183.07803	1.4
183.09166	10.4
183.11644	11.1
183.13795	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	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01873	25.6
55.05498	5.2
56.96547	8.2
57.03441	36.5
58.99858	3.6
59.04991	3.1
60.08166	6.4
61.02926	30.5
67.05503	6.4
69.03431	50.9
71.01344	3.8
71.04987	8.7
71.59692	3.6
73.02920	100.0
79.02151	3.5
79.05477	3.4
80.02889	2.6
81.01904	3.7
81.03423	17.4
81.07047	5.3
82.02691	3.1
82.99844	5.9
83.04973	7.6
85.02415	4.4
85.02905	70.8
86.03200	2.6
86.03693	3.7
86.09715	19.6
86.99326	3.2
87.01900	5.1
87.04463	3.7
88.02699	7.0
93.01901	7.7
93.07050	2.5
94.02679	4.5
95.04972	28.7
95.06115	2.7
95.08600	6.3
96.02426	7.1
96.83419	2.4
97.02898	57.3
97.06608	2.4
98.97556	4.0
98.98486	23.8
99.01856	3.2
99.04460	15.3
100.02649	7.5
101.00880	46.7
101.02432	4.7
101.06025	7.8
102.02407	22.0
102.52599	3.1
103.02463	3.7
105.03403	26.6
106.95865	2.4
108.02408	10.2
109.02908	9.3
109.06521	4.7
111.02191	3.3
111.02931	24.9
112.02596	4.3
113.00853	17.1
114.00967	3.0
114.02400	7.6
114.52510	2.5
115.02444	8.9
115.03194	4.8
117.02912	4.5
118.02764	2.6
118.03676	2.7
119.01923	81.0
120.02103	9.0
120.03426	5.4
120.05292	3.1
123.02917	14.3
123.04431	22.2
123.53024	4.6
124.03741	3.6
125.00007	22.2
127.01539	4.0
127.02403	5.2
127.03931	16.2
129.02914	12.7
129.03917	4.1
129.53069	3.2
130.03648	4.0
131.01906	58.2
131.02808	4.7
132.02037	9.5
132.03424	9.1
133.03503	6.0
135.02885	6.3
136.03696	4.3
137.02937	8.5
137.05986	4.2
137.07892	8.9
137.09621	3.5
138.03427	14.3
138.05519	6.9
138.53548	5.3
139.04213	3.2
139.07541	8.7
140.04692	5.7
141.05449	3.2
142.03513	7.8
143.01910	63.2
144.02058	8.4
144.03459	6.9
145.03445	32.3
146.03584	3.5
147.01367	7.4
147.03987	3.4
147.05049	3.4
149.02968	6.4
151.04054	2.8
153.03909	5.5
153.54123	3.1
155.01894	53.9
155.07104	5.3
156.02005	4.6
157.03473	24.7
158.03629	2.6
158.97266	4.8
159.01402	3.1
161.02956	71.2
162.03128	7.6
163.04524	6.1
165.03944	4.1
165.05589	4.4
167.01883	20.1
169.03465	8.2
171.05119	2.9
173.02963	74.6
174.03050	12.7
175.04523	4.7
176.98289	5.6
177.02371	2.7
179.04004	2.7
183.04997	4.9
183.07841	8.4
184.04678	3.2
184.06020	3.9
184.07359	24.8
185.02983	49.1
186.03130	7.1
187.04543	4.3
191.03990	5.7
197.02937	6.6
199.04628	3.8
200.98203	4.0
203.04047	33.4
204.04149	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	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
54.80547	1.0
55.05508	7.6
56.96550	1.7
57.07080	2.5
58.02958	35.3
67.05499	22.9
69.03432	1.0
69.07066	59.6
70.06593	2.0
71.53300	1.9
79.05508	5.3
81.07056	16.1
83.04969	1.0
83.08612	7.2
84.08138	8.2
84.18559	1.1
86.06053	1.2
91.05462	4.8
93.07040	9.6
95.08604	7.0
97.06503	3.6
98.06039	1.5
98.09686	2.1
98.97583	11.1
99.97888	4.9
100.07595	6.4
105.07040	11.5
105.96210	1.3
107.08588	17.7
109.06485	2.0
109.10154	45.9
112.07627	2.2
112.63716	1.0
114.09171	14.1
116.98614	3.6
117.98969	2.5
119.08546	1.1
121.10116	1.4
123.11723	6.1
126.09158	11.0
126.12827	1.2
133.10127	31.3
134.99646	1.0
135.11678	19.2
138.12775	21.5
140.14362	1.4
142.92513	0.9
147.11682	4.5
151.11194	8.5
153.12755	11.5
154.15961	1.6
164.14311	1.8
165.12727	3.6
172.27493	1.0
182.15402	100.0
183.15720	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	182.0814
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03949	3.7
55.01891	1.7
55.05513	2.4
56.96568	25.9
57.03437	3.0
59.05027	0.7
61.02936	2.1
62.84723	0.5
64.47652	0.5
65.03957	0.7
67.05514	1.9
67.72401	0.5
69.03431	4.0
70.98151	0.6
70.99869	1.6
71.04986	0.7
71.59900	1.3
71.60256	0.7
73.02915	3.3
77.00897	0.8
77.03919	0.7
79.05507	2.0
80.05033	1.5
81.03440	2.0
81.56835	0.6
82.01466	1.3
83.04991	1.1
84.04527	0.6
84.96056	1.6
85.02897	3.9
87.04510	0.7
89.00819	0.6
91.05486	27.5
93.05817	0.7
93.07031	3.7
94.06587	2.2
95.04977	14.9
96.04503	1.2
97.02892	6.4
98.03204	0.6
98.97587	9.0
99.04462	1.2
99.97978	0.8
100.02512	2.5
101.00871	3.1
103.05482	1.2
104.05000	15.8
105.03405	2.5
105.04517	0.8
107.04952	1.6
108.04481	2.8
108.08115	4.1
109.02892	0.9
109.06527	3.0
110.03188	0.6
110.97590	2.1
111.02914	0.6
112.07568	1.0
112.99149	1.4
113.00880	2.3
115.00684	3.0
115.02435	2.1
116.03095	0.8
116.98628	2.6
117.04001	0.7
118.03528	0.8
118.06512	1.2
119.01904	5.2
119.04949	29.4
121.05205	1.6
121.06532	1.0
122.06030	6.6
123.04440	39.7
124.04794	0.7
126.09198	0.7
126.98791	1.7
127.04015	1.0
128.02353	1.0
128.98627	1.2
129.02248	1.5
131.00249	1.0
131.01923	6.2
132.04456	37.5
133.01697	1.6
133.03474	2.1
136.07585	100.0
137.05997	2.8
137.07951	0.9
140.07027	0.7
140.98601	8.4
141.02228	0.7
142.03496	0.9
143.00131	0.8
143.01888	2.0
144.99818	2.2
145.03427	1.2
147.03209	1.7
147.04353	11.7
148.03853	0.9
149.02980	1.3
149.04720	2.3
150.05521	8.0
154.03551	3.1
154.08615	3.3
155.01898	1.2
157.03522	1.1
158.97182	0.9
158.99672	16.3
159.01312	1.8
159.03253	1.8
159.05026	1.5
161.02979	0.9
161.04646	2.4
161.05765	0.9
164.05666	9.0
164.07082	9.7
165.05475	18.9
168.01457	0.8
170.05142	2.3
173.02991	1.7
177.00708	6.6
177.02443	4.0
177.04288	1.9
182.02908	0.7
182.06743	1.6
182.08131	27.5
182.11685	1.1
185.02960	0.8
189.00583	0.6
195.03416	1.0
196.22787	0.7
200.04083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.90420	1.0
53.03932	4.3
53.04168	1.1
55.05498	4.2
56.55537	1.1
56.96556	1.7
58.02954	2.1
65.03936	3.3
67.05504	18.7
68.05020	1.9
69.07063	5.8
69.94868	4.4
69.95280	2.0
70.02950	1.9
76.68805	1.0
79.05495	32.1
80.04988	3.1
81.01657	1.0
81.07061	45.9
81.60956	1.0
82.02940	2.5
82.06610	1.5
83.08618	3.7
84.08138	2.4
86.02431	5.7
91.05474	5.9
92.04958	1.0
93.05793	7.7
93.72848	0.9
94.06519	2.6
95.04957	4.9
96.04476	3.0
97.05273	2.1
97.06535	8.9
98.06054	4.7
98.09676	3.9
98.97583	5.4
99.97884	2.5
102.12041	1.1
106.06608	1.4
107.07320	4.9
108.04501	1.9
108.08122	73.1
109.06541	7.7
110.06047	5.8
116.98640	2.1
117.05782	1.3
117.98989	1.2
118.06545	3.8
120.04483	2.5
121.05258	3.6
122.06044	2.9
124.05233	1.5
124.07552	2.3
125.05055	1.1
125.05994	34.8
126.05522	36.3
126.09153	21.8
126.73785	1.1
133.79398	1.2
134.06038	2.4
136.07579	98.8
137.06024	1.6
137.21303	1.2
138.05501	2.5
140.07091	1.3
141.05531	1.5
151.16113	1.2
152.07053	1.3
153.07869	3.8
154.08635	33.5
163.93349	1.3
164.07074	96.1
165.07414	1.9
171.55562	2.4
182.08133	100.0
202.32510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.19911	1.1
55.01867	8.4
55.05507	12.3
56.96553	3.4
57.03440	9.9
57.07067	2.2
60.67420	1.1
65.03923	2.6
67.05502	37.3
69.03432	5.9
69.03751	1.1
69.07064	11.1
70.29894	1.2
70.85376	3.9
70.98105	4.4
71.04991	7.2
79.05054	2.2
79.05492	37.6
81.03416	2.3
81.06567	1.9
81.07057	64.9
83.04984	10.5
83.08601	4.9
85.06537	6.3
91.05479	46.5
93.07042	52.0
95.04972	8.1
95.08606	85.7
96.08945	1.5
97.06532	19.0
99.08071	2.2
103.05456	1.6
105.07027	49.8
107.04958	2.8
107.08597	39.1
109.06523	11.2
109.10150	12.6
111.08076	4.7
117.07011	4.1
119.04957	11.3
119.08580	74.9
121.09294	1.7
121.10147	21.6
123.04444	4.3
123.08069	17.1
123.11713	2.8
131.08580	1.4
133.02831	1.5
133.06488	6.0
133.10129	40.4
135.04385	1.7
135.11691	38.7
136.05196	1.9
137.05971	2.4
137.09612	5.9
137.13239	3.8
141.47173	1.4
144.02530	1.3
147.04411	14.1
151.03888	1.4
151.07527	3.6
151.11180	2.3
151.14792	1.7
161.05992	5.6
161.09657	2.4
161.13251	100.0
162.13568	2.1
163.03894	7.1
166.63838	1.1
174.80298	1.6
179.03398	10.8
179.06905	8.0
179.08580	2.3
179.10837	7.0
179.14308	92.2
180.06593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01873	3.5
55.05495	2.6
56.96552	0.8
57.03432	1.0
57.07075	1.0
59.05001	3.2
60.57094	0.7
65.03928	1.9
67.05492	6.2
69.03413	2.1
69.07043	2.5
70.65290	2.0
70.65681	1.1
75.83806	0.7
77.03902	1.1
79.05482	8.9
81.03403	1.6
81.07053	9.3
83.04971	2.8
89.34614	0.6
91.05482	29.8
93.07042	21.3
94.07806	0.7
95.01369	0.9
95.04974	6.9
95.08595	7.1
103.05477	1.8
105.03377	0.9
105.07027	40.4
106.07285	0.8
107.04955	1.6
107.08593	40.6
109.06507	6.2
109.10154	6.2
111.08074	0.9
115.05447	2.2
116.06252	1.3
117.07001	2.4
118.07797	0.9
119.04192	1.0
119.04951	10.1
119.06091	1.2
119.08579	13.0
121.06511	7.9
121.10146	2.6
123.04425	8.5
123.08088	4.8
123.11707	3.3
128.06219	1.6
131.08560	7.2
133.02841	2.1
133.06503	5.3
133.10126	86.5
134.10439	1.2
135.04384	0.9
135.08002	1.4
135.11682	4.6
136.05101	1.3
137.05980	7.8
137.09598	5.1
143.08546	2.2
146.07275	3.0
147.04399	15.7
148.08777	1.1
149.09622	1.2
151.03938	1.7
151.07564	4.7
151.11174	4.5
151.14862	0.7
161.06020	4.3
161.09619	29.2
161.13284	2.5
164.08305	1.7
179.03424	8.6
179.06950	7.2
179.10664	100.0
180.10945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	1.7
53.19911	1.1
55.01867	8.4
55.05507	12.3
56.96553	3.4
57.03440	9.9
57.07067	2.2
60.67420	1.1
65.03923	2.6
67.05502	37.3
69.03432	5.9
69.03751	1.1
69.07064	11.1
70.29894	1.2
70.85376	3.9
70.98105	4.4
71.04991	7.2
79.05054	2.2
79.05492	37.6
81.03416	2.3
81.06567	1.9
81.07057	64.9
83.04984	10.5
83.08601	4.9
85.06537	6.3
91.05479	46.5
93.07042	52.0
95.04972	8.1
95.08606	85.7
96.08945	1.5
97.06532	19.0
99.08071	2.2
103.05456	1.6
105.07027	49.8
107.04958	2.8
107.08597	39.1
109.06523	11.2
109.10150	12.6
111.08076	4.7
117.07011	4.1
119.04957	11.3
119.08580	74.9
121.09294	1.7
121.10147	21.6
123.04444	4.3
123.08069	17.1
123.11713	2.8
131.08580	1.4
133.02831	1.5
133.06488	6.0
133.10129	40.4
135.04385	1.7
135.11691	38.7
136.05196	1.9
137.05971	2.4
137.09612	5.9
137.13239	3.8
141.47173	1.4
144.02530	1.3
147.04411	14.1
151.03888	1.4
151.07527	3.6
151.11180	2.3
151.14792	1.7
161.05992	5.6
161.09657	2.4
161.13251	100.0
162.13568	2.1
163.03894	7.1
166.63838	1.1
174.80298	1.6
179.03398	10.8
179.06905	8.0
179.08580	2.3
179.10837	7.0
179.14308	92.2
180.06593	1.7
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	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03936	1.4
55.01620	2.1
55.01878	39.3
55.05507	1.4
56.96556	3.4
57.03427	1.9
59.00908	1.0
65.03942	3.5
67.05499	3.0
67.46001	0.8
69.03419	2.9
69.83044	5.4
71.04011	1.1
77.03936	1.0
79.05511	5.3
80.06260	1.2
81.03445	1.4
81.07050	3.3
85.02914	1.7
85.19430	1.1
91.05486	60.7
93.07034	3.5
95.04974	6.5
95.08620	1.2
97.02890	2.4
98.21521	1.7
98.97579	1.5
103.05476	5.5
105.07036	27.6
106.52161	1.0
107.04951	4.5
107.08622	5.0
108.05797	1.4
109.10168	2.7
109.98273	1.1
115.05465	6.0
118.04184	7.3
119.04952	62.8
119.08611	4.0
121.02941	1.5
121.06517	1.9
123.04445	9.8
123.08099	1.6
131.04916	1.6
131.08568	1.2
133.02849	2.0
133.06500	30.8
133.10126	9.6
135.04378	3.8
136.05228	11.6
137.05988	7.0
137.09619	1.7
146.03638	17.7
147.04420	100.0
149.06003	2.8
151.03905	8.3
151.04973	1.6
151.07539	3.7
151.11185	1.7
161.05997	61.4
161.09633	3.8
161.13284	1.3
163.03891	1.3
164.04747	2.3
179.03465	11.3
179.07054	43.7
179.10576	9.4
179.14339	1.8
191.05899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03928	2.2
55.01857	2.7
55.05508	3.9
56.96549	1.3
57.03430	0.9
59.04984	3.1
65.03944	1.3
67.05515	6.4
69.03423	2.4
69.07047	2.3
69.65478	4.8
79.05479	8.4
81.03402	2.0
81.07063	7.2
83.04975	2.5
83.08607	0.7
91.05480	30.2
93.07044	20.7
95.04964	8.4
95.08611	8.3
103.05444	1.4
105.03387	1.1
105.07029	40.1
107.04941	3.1
107.08592	39.2
109.06507	6.2
109.10162	6.7
111.04468	0.7
115.05447	2.6
115.52560	0.7
117.07003	1.9
119.04949	10.7
119.08589	10.5
121.06504	8.7
121.10120	3.2
123.04431	8.2
123.08068	4.7
123.11674	2.6
129.01990	0.9
131.08577	5.7
133.02864	2.8
133.06500	5.9
133.10124	77.3
135.04372	1.0
135.08072	1.2
135.11687	4.5
136.05214	1.3
137.05984	7.2
137.09622	5.3
143.08589	2.2
146.03580	1.0
146.07262	2.4
147.04414	19.7
147.07961	0.9
148.08705	0.7
149.09612	1.1
151.03937	1.4
151.07576	4.7
151.11182	3.9
151.14767	1.7
161.05968	4.6
161.09613	26.1
161.13258	3.0
164.08322	1.2
179.03384	9.0
179.07178	10.6
179.10663	100.0
180.11038	1.9
181.77969	0.8
190.97304	0.7
199.88837	0.7
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	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03933	1.0
55.01876	38.7
55.05496	1.0
57.03425	1.7
57.07098	0.9
58.26432	0.5
65.03926	3.3
67.05507	2.9
69.07063	0.7
69.41116	5.0
74.07862	0.5
79.05489	4.6
80.06275	0.9
81.07055	4.2
83.08623	0.6
86.78525	0.6
89.03963	0.7
90.00310	0.6
90.04698	0.7
91.05484	52.3
92.05811	0.9
93.07070	1.3
94.04193	1.1
94.04797	0.6
95.04971	4.7
95.08601	4.9
97.06521	0.6
98.21445	1.2
103.05470	4.4
103.51223	0.6
105.07034	25.0
107.04971	3.2
107.08593	2.7
108.05764	1.9
109.06493	1.6
109.10170	3.9
115.05472	4.6
118.04168	7.3
119.04950	61.3
119.08598	2.2
120.06959	0.7
121.06538	0.9
121.10143	2.5
122.03659	0.8
123.04435	7.4
123.08067	1.7
123.11694	2.1
131.04938	1.0
133.06497	24.2
133.10130	1.9
135.04431	3.1
135.11684	1.3
136.05203	10.6
137.06006	3.7
137.09586	1.3
137.13235	1.1
146.03632	18.7
147.04416	100.0
148.04832	0.6
150.06790	1.5
151.03926	1.6
151.07555	3.3
151.11156	1.1
161.05988	56.4
161.09607	1.5
161.13274	1.5
162.06354	1.3
163.03883	0.6
164.04759	3.6
179.03520	4.7
179.07050	41.6
179.10590	3.4
179.14304	3.9
180.07326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03938	1.5
55.01878	5.1
55.05470	0.8
57.03426	1.2
65.03932	3.5
67.05173	0.8
67.05508	11.0
68.99789	3.4
69.03412	1.3
70.45423	0.7
71.21362	1.1
73.19017	0.7
77.03923	1.3
79.05492	8.8
81.03413	1.2
81.07044	5.4
83.04964	1.5
84.27885	0.6
85.02896	0.9
91.05478	20.5
93.03403	1.0
93.07040	3.5
95.04971	22.4
95.08598	6.5
97.52928	0.8
103.05473	4.5
105.04488	1.1
105.07034	13.8
107.04925	1.6
107.08575	1.7
108.05740	3.5
109.02889	2.5
109.06532	2.2
109.10159	1.2
110.03648	6.0
111.04436	1.6
115.05509	1.0
118.04179	1.6
119.04942	19.0
119.08580	2.5
121.02853	3.7
121.03954	1.6
121.06519	3.2
123.04431	100.0
123.08062	8.6
123.11691	1.9
124.04781	0.9
133.06512	4.3
133.10112	2.1
136.05157	2.3
137.05963	2.8
137.09555	2.4
147.04413	18.9
149.05968	1.9
151.03912	6.2
151.07544	46.5
151.11172	1.5
161.05959	5.5
161.07144	3.2
161.09616	1.2
164.04716	1.2
179.07037	70.4
179.10510	6.7
179.14259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.41785	0.8
53.03938	2.1
55.01872	7.6
55.05503	2.8
55.17241	0.8
57.07058	1.3
59.26291	0.9
65.03948	5.2
67.05504	12.1
68.86205	1.0
68.99773	2.8
69.03418	1.5
69.07059	2.7
69.96510	3.2
74.43612	0.8
79.05490	10.4
81.03420	1.9
81.07060	13.0
83.04989	1.7
85.02914	1.1
91.05482	28.7
93.07048	5.0
94.04180	0.9
95.04969	27.4
95.08608	13.8
96.05568	0.8
97.02888	1.1
103.05463	5.6
105.03397	2.8
105.04534	1.2
105.07037	20.3
105.24045	0.8
107.04953	2.4
107.08603	4.4
108.05742	3.2
109.02879	2.2
109.06538	5.0
109.07150	1.0
109.10168	9.7
110.03680	4.4
111.04462	3.1
115.05420	1.3
118.04173	2.7
119.04948	23.1
119.08604	4.1
121.02859	3.9
121.03960	1.7
121.06511	3.6
121.10141	3.0
123.04431	100.0
123.08061	10.1
123.11714	9.0
133.06485	6.5
133.10126	7.1
135.11687	1.6
136.05211	5.9
137.05984	4.0
137.09610	5.7
143.08534	1.2
146.03593	2.1
147.04411	24.0
147.07983	1.1
149.05963	1.7
151.03955	4.6
151.07545	45.6
151.11192	2.3
161.05969	6.9
161.07152	3.9
161.09630	2.9
161.13252	1.9
164.04657	1.6
164.08333	1.6
179.03464	2.3
179.07047	69.2
179.10617	14.1
179.14256	5.8
179.17924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02365	0.5
51.18244	0.3
52.26242	0.3
53.03950	0.7
67.05501	0.8
71.04925	0.6
77.03928	1.2
77.05536	0.3
79.05489	0.8
81.03414	0.5
89.03931	2.2
90.31567	0.3
91.05484	0.7
95.04951	1.5
105.03394	3.7
105.04499	0.4
105.07044	0.3
107.04948	0.7
109.02866	0.5
117.03371	1.9
119.05022	0.4
122.38683	0.3
123.04430	41.0
124.04756	0.4
133.02856	29.9
135.04434	4.0
136.05202	0.4
147.04382	0.4
149.02238	0.3
151.03902	9.3
151.07547	2.8
164.04590	0.3
169.31416	0.3
179.03395	100.0
180.03703	1.6
186.83046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	1.7
55.05254	1.0
55.05507	15.1
57.07064	1.6
65.03935	1.7
67.05501	5.8
69.07068	38.7
70.02570	1.9
70.02981	2.2
71.08591	1.0
71.40783	0.9
78.04706	0.8
79.05486	12.4
81.07058	12.6
82.89678	0.8
83.08612	16.0
86.97038	0.9
89.03931	2.1
91.05476	11.4
93.07045	32.7
95.04970	2.2
95.08604	46.6
97.10168	2.3
98.20753	1.0
98.98464	2.7
103.05454	1.4
105.04488	0.9
105.07024	9.3
106.04168	2.6
107.08593	77.3
109.06525	1.4
109.10154	16.2
117.03385	1.6
119.08604	2.8
121.06512	2.8
121.10142	100.0
122.10943	1.3
123.08009	1.3
131.08553	2.4
133.10135	1.2
135.11694	19.7
135.84343	0.8
145.02853	3.5
149.05962	2.4
149.13266	5.9
159.04326	0.8
159.08031	1.2
159.11610	1.0
177.05460	2.7
177.09137	3.3
177.12808	2.4
177.16386	60.1
189.10229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.79591	0.7
51.87642	1.0
53.03941	1.8
55.05298	1.1
55.05515	12.2
57.07076	1.4
57.33274	0.9
58.94513	0.9
65.03943	1.9
67.05504	8.1
69.07069	26.4
70.49337	2.8
79.05493	15.7
81.07060	22.8
81.07539	0.8
83.08617	13.2
89.03922	1.8
91.05480	12.7
93.07047	44.1
95.04962	2.9
95.08606	48.1
97.10159	4.0
98.98465	3.8
103.05454	2.4
105.07037	11.5
106.04199	4.7
107.08596	70.9
109.06480	1.6
109.10166	16.1
117.03378	3.1
117.06967	1.9
119.05042	0.9
119.08588	3.5
120.71509	1.0
121.06523	4.7
121.10143	100.0
130.95192	0.9
131.04915	2.2
131.08542	4.8
133.10135	2.3
135.11697	18.0
145.02844	3.6
147.19063	0.9
149.02357	1.6
149.05984	5.5
149.09605	1.9
149.13251	6.7
159.08093	1.5
159.11742	2.3
177.05476	6.7
177.09087	8.0
177.12880	5.1
177.16399	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	179.034
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
51.24517	0.3
53.03936	0.7
55.01857	0.5
55.64363	0.3
56.02654	0.3
56.88645	0.3
56.96548	0.7
65.03929	0.4
67.05510	1.5
69.03431	0.6
69.07057	0.6
70.92706	0.6
77.03944	1.4
77.94250	0.3
79.05472	0.5
81.03442	0.5
85.02932	0.3
89.03937	2.3
91.05483	2.3
95.04991	1.9
95.08640	0.3
97.02885	0.5
97.03504	0.3
105.03405	4.2
105.07038	1.0
107.04960	1.1
108.08962	0.3
109.02849	0.7
109.06512	0.4
117.03384	1.7
119.04930	1.9
119.08577	0.7
123.04439	35.8
124.04772	0.4
133.02859	30.8
133.06506	0.9
133.10139	0.8
135.04413	4.4
136.05200	0.6
137.05960	0.6
137.09666	0.7
142.01434	0.3
143.01888	0.3
147.04405	2.2
151.03920	9.1
151.07567	2.4
161.02362	0.7
161.06006	0.7
161.09682	0.4
161.13287	0.4
164.04710	0.6
168.06274	0.3
170.03955	0.3
179.03406	100.0
179.10654	1.2
180.03755	0.9
190.90576	0.3
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
53.03939	2.9
55.05513	17.1
65.03944	1.7
66.86446	1.1
67.05508	9.7
69.07072	25.4
70.24290	3.4
70.24679	2.9
79.05499	29.5
81.07061	57.9
83.08624	15.0
91.05472	9.9
93.07050	49.9
95.08612	56.3
95.09226	2.1
97.10168	7.0
105.07050	6.7
107.08601	94.4
109.06520	1.5
109.10159	16.1
121.10151	100.0
135.11711	17.7
149.13255	6.9
157.36176	1.3
177.16396	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01862	1.1
55.05503	1.8
63.02382	1.2
65.03928	1.4
67.05486	1.4
69.07067	5.5
71.04981	0.7
71.11942	1.7
78.04710	3.1
79.05485	4.4
81.07056	3.9
83.08619	3.1
89.03915	45.8
91.05489	11.3
91.35804	0.9
93.07057	8.6
95.04976	1.6
95.08602	5.3
98.97572	1.2
98.98478	4.5
103.05444	5.2
105.04527	1.2
105.07003	3.4
106.04163	4.2
107.04955	4.2
107.08595	16.0
109.06538	1.3
109.10146	2.9
111.52947	0.8
115.05437	1.3
117.03380	75.8
117.07036	5.0
119.08580	1.7
121.06509	4.8
121.09293	1.6
121.10136	18.2
131.04881	1.6
131.08571	3.4
133.10132	1.5
134.03613	10.6
135.04431	4.6
135.08054	1.7
135.11711	4.4
139.17186	0.8
145.02840	100.0
146.03181	1.0
146.07262	1.3
149.02344	1.6
149.05986	29.9
149.09618	2.8
149.13261	2.7
159.04451	0.9
159.08049	1.0
159.11693	3.3
162.03110	2.8
163.03928	2.6
177.05463	31.6
177.09010	5.8
177.12732	9.2
177.16408	10.4
186.05501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03938	0.8
55.05299	0.4
55.05513	4.1
57.07069	0.5
65.03912	0.6
67.05511	2.3
69.03402	0.5
69.06724	0.4
69.07068	7.7
70.92669	0.9
70.93010	0.4
78.04688	0.5
78.69309	0.4
79.05485	4.3
81.07051	5.5
83.08616	4.8
85.04774	0.3
89.03909	1.5
91.05476	7.8
93.06456	0.8
93.07037	13.1
95.04963	1.3
95.08605	11.3
95.09123	0.2
97.06528	1.0
97.10165	0.8
98.98451	1.5
103.05457	1.4
105.07016	4.7
106.04166	0.8
106.07838	0.7
107.04881	0.4
107.08594	23.7
109.06518	0.4
109.10148	4.3
111.08068	0.9
115.05454	3.6
116.06258	3.1
117.03371	2.4
117.07014	11.0
119.04920	1.5
119.05840	0.4
119.08582	1.9
120.05708	0.4
121.06505	2.8
121.10140	32.2
122.04877	1.0
131.01939	0.4
131.08560	1.5
133.06519	2.4
133.10188	0.8
134.03621	0.7
134.07288	3.5
135.04446	0.5
135.08098	2.0
135.11702	7.4
140.78366	0.4
144.05702	2.1
145.02837	2.9
145.06465	1.6
147.04382	0.5
147.07951	0.7
149.05962	2.2
149.09637	1.4
149.13240	2.2
159.08051	0.5
159.11691	1.3
161.05957	1.4
162.03125	0.5
162.06758	13.8
162.10379	1.5
175.07526	0.4
176.06801	0.4
177.05798	3.3
177.09103	100.0
177.12628	9.5
177.16365	17.1
178.09457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.37290	0.5
53.03933	1.1
56.22317	0.5
63.02367	1.2
65.03938	0.6
67.05508	0.6
70.98653	1.3
78.04714	3.2
79.05516	1.0
87.84312	0.5
89.03916	47.2
90.04218	0.5
91.05492	3.5
93.07038	1.3
95.04935	0.7
98.97631	1.3
98.98433	0.7
103.05464	2.0
106.04174	4.6
107.04980	0.6
107.07117	0.5
107.08604	1.0
114.01534	0.5
117.03381	77.5
117.07038	1.0
118.03761	0.9
119.04954	0.9
119.21945	0.5
121.06485	1.5
121.10143	1.2
124.05247	1.0
131.04939	0.7
134.03632	9.7
135.04431	4.1
141.64392	0.5
145.02847	100.0
146.03162	2.0
149.05980	27.7
158.05980	0.6
162.03163	1.7
162.06747	0.6
163.03896	2.2
177.05478	24.7
177.09009	3.7
177.12704	0.6
177.16428	0.7
186.05525	1.0
188.33325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	1.8
55.01890	1.0
55.05507	3.2
60.50745	0.6
63.02396	1.0
63.63842	0.7
65.03934	1.4
67.05506	2.3
69.07063	7.5
69.72985	0.7
69.77015	1.5
69.77424	2.6
71.08621	0.7
78.04716	3.1
79.05489	4.7
81.07054	2.9
83.08621	4.6
89.03917	46.0
91.05482	8.1
93.07053	9.1
95.04977	1.8
95.08607	8.2
98.97563	1.1
98.98476	2.8
103.05489	2.6
105.07048	4.5
106.04166	4.3
106.84129	0.7
107.04952	1.7
107.08591	21.9
109.06582	1.1
109.10159	2.6
117.03380	78.8
117.07015	3.1
118.03732	0.9
119.04927	1.3
119.08537	1.6
121.02877	0.8
121.06499	2.7
121.10142	30.1
131.08586	1.9
133.10159	1.3
134.03636	10.1
135.04428	4.0
135.11700	6.0
145.02847	100.0
146.03241	1.2
149.05977	29.3
149.09628	1.3
149.13277	2.5
159.11696	2.6
162.03123	2.0
163.03885	1.5
177.05467	29.2
177.09105	2.7
177.12769	3.9
177.16396	14.2
186.05496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05503	4.8
57.07058	1.0
59.38833	0.9
64.09810	1.0
67.05489	3.5
69.06712	1.8
69.07069	27.3
70.61405	1.3
70.61726	2.3
79.05500	6.9
81.07052	9.9
82.70907	0.8
83.08580	1.5
91.04948	1.7
91.05480	21.4
93.07041	9.2
95.08608	6.0
97.02892	1.0
98.98463	12.3
103.05460	1.2
105.07031	47.0
107.08602	11.5
115.05446	9.2
117.07011	5.8
119.04909	2.1
119.08581	77.1
120.08849	1.1
121.10111	2.1
129.07014	2.3
131.08560	4.2
132.05705	2.0
133.10129	42.6
143.04829	1.2
144.05727	1.7
145.10164	5.3
146.10905	1.8
147.04402	2.7
147.08055	3.3
147.11685	16.3
157.10136	1.3
160.05202	16.8
160.12483	1.2
163.84308	1.0
173.13280	1.2
175.03799	1.1
175.06020	1.2
175.07549	22.2
175.11285	6.6
175.14824	100.0
176.15149	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05509	7.7
67.05498	2.1
69.06715	1.2
69.07068	19.2
70.23763	2.0
71.91447	0.6
79.05470	2.2
81.07056	9.3
83.08617	4.2
91.05478	9.3
93.07046	3.6
95.08600	6.5
98.20770	0.8
98.98493	0.8
103.05488	0.9
104.06213	0.8
105.07030	26.0
106.76528	0.8
107.08051	0.6
107.08595	6.5
109.06583	0.8
109.33813	0.7
117.06984	3.2
119.08577	81.1
121.10107	1.8
131.08572	4.1
133.10127	75.3
133.68230	0.6
134.10547	1.4
142.07755	0.8
145.10141	6.4
146.10866	1.6
147.11688	15.1
157.10121	1.3
159.11681	0.9
160.12469	4.2
170.31024	0.8
173.13220	2.2
175.07579	1.2
175.11407	4.9
175.14819	100.0
176.15132	1.8
187.15221	0.6
189.06541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.51013	0.7
55.05515	7.0
57.07073	1.1
58.60310	0.7
58.95827	0.7
66.88677	0.6
67.05502	1.9
69.06715	1.1
69.07073	16.7
69.41072	6.0
72.41066	0.7
79.05486	2.4
81.07061	9.2
82.97997	0.6
83.08604	2.9
91.05483	10.3
93.07034	3.5
95.08617	8.4
98.98489	1.8
103.05406	0.7
105.07034	24.1
107.08588	6.7
115.05470	1.0
117.07027	3.0
119.08587	78.3
121.10148	2.3
131.08534	3.4
132.09360	1.0
133.10135	78.4
134.10854	0.9
135.11661	0.7
144.09349	0.9
145.10118	7.9
146.10950	1.0
147.11703	15.0
159.11636	0.9
160.12479	4.5
173.13243	2.3
175.07539	1.6
175.14835	100.0
176.15146	1.4
179.30911	0.7
192.40077	0.7
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
52.22189	0.5
55.05515	8.4
56.82228	0.5
57.07073	1.4
66.30212	0.6
67.05500	1.9
67.44358	0.6
69.07069	22.3
69.07449	1.1
70.68771	1.2
79.05492	2.6
80.46952	0.5
81.07060	6.0
83.08625	4.4
86.10349	0.6
91.05479	9.1
93.07059	2.9
95.08616	5.5
98.98462	2.9
103.05464	1.2
105.07032	24.3
107.08591	4.2
107.81527	0.6
115.05454	1.2
117.07003	3.3
119.08583	89.4
120.08852	1.1
121.10146	2.6
131.08563	3.1
132.09286	0.6
133.10133	73.2
134.10391	1.0
135.11702	0.9
136.57439	0.6
145.10106	7.5
146.10921	0.9
147.11696	12.0
151.11618	0.6
160.12503	3.5
168.22981	0.7
173.13284	2.9
175.07565	1.0
175.14830	100.0
176.15204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45757	0.6
53.03946	1.1
55.05510	8.3
57.07061	0.9
57.68020	0.8
63.54296	0.7
67.05485	2.1
69.07066	20.6
70.85426	0.7
70.88239	0.7
70.88592	1.4
79.05485	3.6
81.07056	6.4
82.43343	0.6
83.08615	3.8
91.05476	11.4
93.07049	3.2
95.08611	5.6
98.98465	3.3
103.05453	1.2
104.06246	0.9
105.07028	31.2
107.08601	5.6
115.05441	1.7
115.66313	0.7
117.07028	3.5
117.27432	0.7
119.08581	88.8
121.10130	3.0
129.07027	1.3
131.08565	4.2
132.05724	1.5
132.95786	0.7
133.10129	78.7
135.11714	0.7
142.07835	1.1
145.06451	1.7
145.10161	6.0
146.10887	1.4
147.04378	1.1
147.08017	1.0
147.10625	1.2
147.11690	12.9
157.10150	1.2
160.05200	1.4
160.12476	4.8
173.13274	3.2
175.07552	10.8
175.11240	3.7
175.14824	100.0
176.15215	1.8
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
53.03940	1.4
55.05505	10.6
55.12183	1.0
58.27134	1.1
60.48776	1.1
65.03920	1.2
67.05484	3.2
69.06764	1.0
69.07069	13.3
70.93790	2.4
79.05479	6.9
81.07055	23.5
83.08605	4.0
91.00344	1.1
91.05479	19.2
91.36403	1.0
93.07031	8.6
95.08596	15.0
97.31572	1.1
98.98466	7.9
103.05480	1.1
105.07028	48.6
105.33118	1.1
107.04894	0.9
107.08572	10.1
111.74445	1.0
115.05479	1.3
117.07007	3.9
119.08575	97.0
121.10150	2.4
131.08565	8.1
133.10126	82.8
134.43973	1.2
145.10152	6.5
146.10895	2.9
147.04425	2.7
147.08040	1.7
147.11676	19.1
160.12439	2.8
173.13257	1.2
175.03970	1.0
175.07536	3.6
175.14822	100.0
176.15150	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
53.03931	1.8
55.05511	8.8
57.07056	1.2
65.03929	1.7
67.05489	3.5
69.06765	1.1
69.07072	13.1
70.93512	2.0
70.93877	1.7
79.05482	5.2
81.07053	18.5
83.08607	4.4
90.47533	1.0
91.05482	16.5
91.66105	1.0
93.07047	7.6
95.08600	12.4
97.02847	1.5
98.98471	6.8
103.05454	1.0
104.06213	1.1
105.07027	55.0
107.04893	1.1
107.08607	12.1
109.10143	1.4
115.05433	2.2
117.07036	5.4
119.04910	1.4
119.08577	100.0
121.10185	1.8
127.38558	0.9
131.08556	9.5
133.10130	62.2
145.10109	5.9
146.10867	3.2
147.04436	1.8
147.11696	19.8
157.10103	1.4
160.05141	1.4
160.12544	1.5
173.13237	1.6
175.07526	5.3
175.11244	2.9
175.14819	99.7
176.15170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.99268	0.4
52.50475	0.3
54.54281	0.3
55.05511	3.9
56.96566	0.6
57.03421	0.4
57.07074	0.4
59.05003	0.6
65.03942	0.3
67.05515	1.7
71.35912	0.9
72.93802	1.9
79.05496	0.8
81.07050	1.2
83.04980	3.8
84.04521	0.8
85.02921	0.5
89.02361	0.5
89.96179	0.3
90.94843	1.7
91.05480	4.4
93.07016	0.5
95.08617	0.5
97.02879	0.6
101.06026	3.1
103.05457	0.4
105.07035	4.3
111.04445	5.4
115.05463	2.0
116.06278	0.8
117.07001	3.5
119.07780	0.6
119.08591	8.6
128.06207	1.4
128.99591	0.3
129.05473	1.1
129.06992	4.4
130.07773	2.0
131.08569	27.7
132.08871	0.5
133.10118	4.7
141.07074	0.5
141.82997	0.4
142.07785	1.4
143.08565	27.6
144.09357	5.4
145.06490	1.3
145.10129	17.1
149.93985	0.5
149.96111	0.4
155.07019	2.9
155.08310	0.5
156.09338	1.4
157.10173	1.9
158.07275	0.9
158.10913	48.8
159.11214	0.4
167.97096	0.5
171.11678	1.7
173.02347	1.6
173.08124	4.2
173.09669	2.3
173.13261	100.0
174.13698	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03947	0.8
53.24506	0.6
55.01880	0.7
55.05507	2.0
55.41788	0.6
56.05032	2.8
56.05830	0.7
57.03436	9.1
58.02931	0.6
60.04527	47.1
61.02935	1.5
68.05017	5.2
69.03068	1.1
69.03433	18.4
69.07061	1.9
70.95862	1.8
71.05000	1.0
71.05411	1.9
72.93778	2.2
73.02894	0.6
79.05487	0.9
81.03413	0.7
81.07058	2.6
82.06590	0.8
84.04507	34.2
84.05305	1.4
85.02908	15.5
85.31213	0.8
85.56371	0.7
86.06069	2.3
87.50120	0.6
90.94846	1.4
91.03960	0.8
91.05473	4.1
93.07049	0.8
95.08572	0.8
96.04493	15.1
97.02894	100.0
98.06028	1.1
98.98469	4.8
100.03980	0.9
102.05551	8.8
103.05492	0.8
105.07038	4.8
107.08605	1.0
111.98486	1.5
112.04782	0.9
114.05534	39.8
115.03938	6.8
117.07002	0.7
118.06544	10.5
119.04948	1.2
119.08595	7.4
120.08862	0.8
126.05502	1.4
128.05048	0.7
128.07053	1.1
131.04984	0.8
131.08582	1.1
132.06581	3.1
132.08040	1.3
132.08900	2.8
132.95828	3.4
133.10129	9.7
138.05504	1.7
144.06627	0.8
144.08911	1.1
145.10019	0.9
146.05988	1.9
147.04433	1.7
147.11714	1.2
150.96916	4.7
155.97479	1.2
156.06474	1.8
156.07588	0.9
159.11317	1.3
162.52463	0.6
173.98538	1.7
174.07626	76.7
174.12639	2.5
174.13612	5.0
175.07660	2.7
175.11145	1.1
175.14804	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	174.0762
Annotation	(2S,5S)-trans-Carboxymethylproline
Peak:m/z	Relative Intensity
53.03951	0.7
55.01873	2.4
55.05511	9.4
55.54459	0.2
56.05036	1.0
56.05835	0.6
56.96566	0.9
57.03437	4.3
57.18396	0.2
58.99876	0.5
59.05003	0.6
60.04527	5.2
60.05649	2.0
61.02922	1.3
64.76391	0.3
67.05505	0.8
68.05022	2.2
69.03429	4.0
69.07043	0.5
69.71383	0.3
70.02953	0.3
70.06593	15.4
71.01346	0.5
71.04996	2.7
71.60325	0.3
72.04520	1.0
72.08143	0.8
72.93818	0.3
73.02232	0.3
73.02920	6.0
74.02442	0.8
77.00905	0.5
79.05503	0.3
81.03434	1.7
81.07062	1.0
82.02946	0.6
82.06581	46.7
82.99851	0.3
83.04981	1.0
83.06915	0.4
84.04508	2.3
84.05280	0.4
84.08143	1.6
85.02897	4.0
86.06062	1.6
87.04472	0.7
88.02680	0.8
91.05493	1.3
93.01865	0.5
93.07051	0.4
94.02673	0.4
95.04973	0.4
96.02402	0.5
96.04504	0.7
96.08125	0.7
97.02898	4.9
97.06522	0.5
98.06049	0.3
98.98485	2.5
99.04453	0.8
100.02645	0.4
100.03975	0.9
100.07624	3.5
101.00883	3.9
101.01576	0.4
102.00975	0.4
102.02403	1.1
102.05536	1.2
102.06287	0.5
103.02432	0.9
108.02427	0.4
109.02851	0.6
109.06543	0.4
110.01268	0.3
110.06083	0.7
110.09662	2.5
111.02927	2.4
111.04462	0.6
112.04784	0.8
112.07603	0.7
112.08749	0.5
113.00877	1.1
114.00986	0.3
114.05531	46.3
114.09187	0.6
114.52451	0.4
115.02432	0.6
115.03233	0.3
115.03915	1.5
116.07104	0.7
118.06528	0.6
119.01924	7.1
120.02047	1.0
120.03422	0.4
121.53381	0.3
123.02885	0.5
124.66467	0.3
127.02397	0.3
127.03948	0.6
128.03418	2.7
128.07080	100.0
128.10722	6.4
129.02939	0.3
129.07434	1.2
129.10231	0.7
130.09778	0.4
131.01910	4.0
132.02052	0.8
132.03371	0.3
132.08109	1.0
132.95839	0.4
133.01659	0.3
133.03488	1.3
136.03624	0.3
137.02950	0.9
138.03368	0.4
138.09138	1.0
142.03494	0.3
143.01889	3.1
144.02003	0.4
144.03445	0.3
145.03442	3.2
146.03537	0.3
146.05971	0.4
146.08202	0.3
147.01411	0.5
149.03001	0.6
149.37001	0.3
150.03082	0.6
150.96889	0.9
151.04533	0.4
155.01904	2.5
156.02040	0.5
156.06532	1.0
156.10184	3.7
157.03453	1.7
159.04988	0.6
161.02995	3.2
162.03192	0.4
163.02794	0.4
163.04503	0.8
167.01970	1.3
169.03490	0.7
171.05051	0.4
173.02939	3.4
174.03992	1.1
174.05568	0.6
174.05943	0.4
174.07605	8.4
174.08797	2.2
174.11253	5.5
174.12735	1.8
174.14980	0.3
175.04520	1.2
185.02959	4.7
185.06551	0.3
186.03085	0.6
187.04539	0.7
191.04028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	1.0
54.58670	0.6
55.01871	0.7
55.05512	20.6
56.96554	2.1
59.04999	3.3
60.04519	0.7
60.27237	0.6
65.03931	0.7
66.43048	0.6
67.05505	5.2
69.03419	1.6
69.07031	0.9
70.95869	0.8
71.04977	0.7
72.08126	1.0
72.93380	1.3
72.93790	19.9
73.18412	0.6
79.05486	2.4
81.07037	4.4
83.04986	20.7
83.08614	0.8
84.04466	0.7
85.06527	1.0
87.04453	1.9
89.02407	1.0
89.03875	0.8
89.94045	1.1
90.90392	1.2
90.94829	17.6
91.05484	13.0
93.07035	2.3
95.08585	2.1
97.02866	1.4
99.04439	1.6
101.06017	14.8
103.03295	1.2
103.05460	1.3
103.95938	0.7
105.07034	11.5
108.56030	0.6
108.95831	3.5
110.09666	1.0
110.12695	0.6
111.04443	24.6
111.08088	0.8
111.98480	0.8
113.05997	2.2
113.96412	3.1
115.05455	4.2
116.06223	3.4
117.07022	8.2
119.08582	17.6
127.07535	2.9
128.06198	2.6
129.05510	6.0
129.07002	12.5
130.07803	4.1
131.08568	68.3
131.93034	0.8
131.97409	1.1
132.95813	2.6
133.10114	2.5
137.05972	0.9
142.07744	1.4
143.08556	29.6
143.09676	1.5
144.05676	0.9
144.09344	9.5
145.06474	1.8
145.10121	32.7
149.94084	0.9
149.96111	6.5
149.97191	0.7
150.96895	3.3
155.04910	1.1
155.05949	1.4
155.07054	15.0
155.08348	0.9
155.97484	1.0
156.09293	1.7
157.10149	1.2
158.07318	1.4
158.10915	38.1
159.11177	0.8
167.97192	6.0
171.11713	2.1
173.05917	1.7
173.08154	19.8
173.09634	2.8
173.13261	100.0
174.07539	0.8
174.13531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.63119	0.4
55.01872	0.7
55.05515	2.5
56.96565	1.0
62.13380	0.4
65.03946	0.8
66.27230	0.4
67.05505	1.4
69.07072	1.4
70.90774	1.1
71.05003	2.0
72.04520	5.5
72.08160	2.0
73.02931	0.4
73.38882	0.4
79.05504	1.9
81.07065	1.4
83.05009	1.2
83.08622	1.9
85.06552	0.4
89.07155	3.7
90.55801	0.4
91.05488	1.0
93.07061	1.1
95.04968	1.2
95.08601	1.0
97.06528	1.1
98.97588	0.6
105.07038	2.2
107.08607	1.5
109.10180	0.8
110.97575	0.5
111.04427	2.0
111.08088	0.4
115.05480	1.9
116.98655	0.6
119.01833	0.4
125.05975	0.5
125.09621	1.0
128.02344	0.5
128.06216	13.4
128.98628	0.7
129.07010	7.8
130.07744	0.7
131.08572	0.7
135.08044	0.9
135.11739	0.4
139.03896	1.2
141.06987	22.6
142.07790	10.2
143.08563	30.5
144.08856	0.4
153.06992	1.0
154.07867	0.4
155.06003	1.0
155.08556	6.8
156.09348	100.0
157.09656	1.6
160.47281	0.4
169.10104	0.4
171.11691	62.1
172.12032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Nitramine
Peak:m/z	Relative Intensity
53.03927	1.0
55.01855	1.1
55.05508	2.3
55.84980	0.4
55.93516	0.6
55.94844	0.4
56.96292	0.5
56.96563	10.0
57.03421	0.8
59.04996	1.7
60.04558	0.3
61.02901	0.4
65.03914	0.6
65.07913	0.3
67.05499	2.3
68.05016	0.4
69.03429	2.9
69.07061	4.1
70.06569	1.2
70.94246	0.6
71.04972	1.2
71.41086	0.5
72.04507	1.3
72.08135	0.3
72.93766	0.4
73.02898	1.1
79.05473	1.6
81.03413	1.0
81.07051	3.1
83.04974	1.4
83.08595	0.9
84.08133	0.7
84.96025	1.7
85.02894	1.6
86.99827	0.4
89.07136	0.4
91.05480	2.7
92.04999	1.0
93.05777	1.6
93.07037	6.6
95.04950	1.2
95.08604	5.0
96.08113	0.8
97.02895	1.7
97.06528	1.2
97.52625	0.3
97.99191	0.4
98.97578	6.1
100.99071	0.3
103.05476	2.0
105.06957	0.4
107.02552	0.6
107.04987	0.5
107.08585	4.1
109.10163	2.1
110.03214	0.5
110.06033	1.0
110.09727	0.3
110.10458	0.4
110.97544	2.2
111.04436	1.2
111.08045	1.0
112.04840	0.4
114.57842	0.4
116.03109	0.5
116.98626	3.5
119.02576	0.4
121.06506	11.0
122.06868	1.0
123.11698	2.4
124.07598	2.3
124.08328	0.4
125.05960	0.5
127.36623	0.4
128.03117	0.5
128.95088	2.4
128.98581	3.7
134.06000	2.6
134.99666	1.1
135.11700	2.8
139.03938	0.5
140.03076	0.3
141.97003	0.5
142.05779	1.3
142.07634	0.4
142.08667	2.1
143.00148	1.0
144.98112	0.4
146.96176	1.9
146.97273	0.4
146.99654	2.3
147.03159	0.3
152.07072	5.3
152.14369	0.7
153.12733	0.6
155.03842	0.7
158.99664	1.0
160.93864	0.4
161.01196	1.3
163.07463	0.4
165.00647	0.4
168.05379	0.6
170.04109	0.4
170.05458	0.7
170.08125	2.5
170.09647	3.6
170.15396	100.0
171.15768	0.9
173.04851	0.9
177.00682	0.6
184.24182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.74849	0.3
55.01877	0.5
56.05032	0.5
56.96564	1.1
57.03441	0.6
60.65750	0.3
61.02932	0.4
63.95138	0.3
65.03950	0.3
67.50977	0.3
68.05030	0.7
69.03449	1.6
71.05001	0.4
71.36142	0.3
71.46098	0.4
72.08165	0.4
73.02913	1.2
79.05492	1.4
80.05028	0.4
81.03426	0.4
81.05782	0.9
82.01405	0.4
82.06573	0.6
83.04967	0.8
83.06099	0.3
84.04498	1.6
85.01410	0.8
85.02912	1.2
87.04477	0.4
90.77323	0.3
92.05047	0.4
94.02711	0.3
94.06555	0.4
96.04475	0.7
96.08138	2.9
97.02907	1.1
98.04012	0.3
98.97581	1.3
99.04464	0.3
100.02477	1.3
101.00881	1.4
102.02419	0.6
103.02413	1.2
105.53468	0.3
106.06555	1.3
109.02884	0.6
110.97575	1.0
112.07641	0.4
113.00898	0.4
114.05541	1.3
115.00600	0.5
115.02429	0.8
116.03974	0.5
116.98658	0.4
119.01925	2.4
120.02004	0.9
121.01691	0.3
121.03482	0.6
123.06792	0.5
123.54485	0.3
124.07599	7.4
125.04473	0.4
125.07132	0.5
128.95073	0.4
128.98596	1.2
129.00349	0.8
129.03932	0.7
131.01883	0.4
133.01656	1.1
133.03418	1.5
134.06020	68.8
135.06308	0.7
139.00267	0.7
142.04974	1.8
142.08624	1.0
146.03601	1.5
146.99651	0.7
147.01407	4.3
147.03214	1.1
147.05026	1.9
152.07071	100.0
153.07396	1.2
155.53615	0.3
157.01306	0.4
157.03406	0.4
159.05063	0.6
164.04640	0.4
165.02513	0.4
165.06064	0.4
170.03065	1.8
170.04436	0.4
170.08136	14.4
170.09491	0.7
170.11716	0.7
170.15347	1.8
171.07654	0.4
177.06078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03958	0.2
55.01866	0.1
55.05510	0.2
56.96574	0.9
57.03444	0.3
61.02929	0.1
65.03947	0.2
67.04261	0.1
68.05040	0.1
69.03432	0.4
70.11497	0.3
70.11909	0.2
71.05014	0.2
73.02912	0.2
77.03940	0.1
79.05498	1.1
80.05025	0.3
81.03426	0.2
81.05809	0.7
82.06591	0.2
83.04968	0.1
84.04506	0.2
84.08164	0.1
85.02909	0.4
89.82214	0.1
91.02349	0.2
93.05753	0.1
93.26234	0.1
94.06570	0.3
95.04971	0.2
96.04504	0.2
96.08124	1.7
97.02898	0.4
98.03212	0.2
98.97591	0.6
100.99194	0.1
101.00898	0.1
103.02437	0.1
106.06543	1.1
107.05000	0.2
110.97652	0.2
112.99149	0.1
114.52241	0.1
116.98637	0.1
119.01868	0.2
122.05202	0.1
122.06026	0.1
123.06830	0.8
124.05123	0.1
124.07594	5.9
124.14258	0.1
125.03644	0.1
128.98631	0.3
129.02185	0.1
131.00085	0.1
131.01852	0.1
133.03474	0.2
134.06017	69.5
135.06337	0.5
137.04681	0.3
145.01747	0.2
146.99586	0.1
147.01393	0.4
147.03229	0.4
147.04961	0.5
150.05516	0.4
152.07069	100.0
153.07387	0.8
159.03264	0.2
161.04594	0.2
163.02821	0.1
165.06042	0.1
169.54602	0.1
170.03009	0.3
170.08122	12.8
170.15439	0.2
177.04446	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	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03947	1.3
55.01858	1.0
55.05517	1.3
56.94982	0.4
56.96557	0.7
58.66487	0.4
58.68967	0.4
59.03745	0.3
59.05011	0.5
59.79872	0.4
61.56190	0.4
61.99865	0.4
65.03948	2.4
67.05509	2.1
68.99788	6.1
69.03435	1.1
69.07061	0.7
69.54266	1.5
69.54690	1.5
71.04990	2.9
75.92884	0.4
79.05497	0.9
79.95523	0.4
80.02637	0.6
81.03417	9.6
81.07056	6.0
83.04972	1.8
85.02899	1.1
93.03396	0.7
93.07021	0.9
95.04964	1.6
95.08621	0.8
97.02897	1.4
97.06497	0.4
98.03666	4.5
99.04510	0.5
99.08085	0.5
102.88313	0.4
107.08590	1.3
108.02092	0.9
109.02878	27.1
109.10141	2.1
111.00805	23.3
111.04448	3.5
111.08069	1.1
113.05993	0.6
123.11717	3.7
124.01593	1.2
126.03131	38.0
127.03867	0.6
133.10080	0.4
137.02344	0.8
138.81970	0.5
139.11168	0.5
141.05464	100.0
142.05782	0.9
151.03894	1.0
151.05017	1.0
151.11172	0.8
154.02620	5.8
169.04964	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03941	5.3
55.01877	8.9
55.05250	2.3
55.05507	21.8
56.22762	1.6
56.96560	3.5
57.03437	4.0
57.07075	15.6
59.04987	7.7
65.03934	9.5
67.05505	43.5
68.99783	6.9
69.03428	28.0
69.07064	22.3
71.01366	2.1
71.04989	30.8
71.61409	3.8
73.06548	4.5
79.05488	17.1
81.03419	11.6
81.07056	86.0
83.04982	16.4
83.08608	11.2
85.02901	5.6
85.06541	50.0
91.05482	9.9
93.03399	2.5
93.07042	18.1
95.04971	17.6
95.08051	2.1
95.08612	33.7
96.18774	1.8
97.02898	3.2
97.06522	16.6
97.10190	5.2
98.03642	5.1
99.04456	11.8
99.08156	3.3
105.07034	16.4
107.08602	24.2
109.02890	23.1
109.06519	27.6
109.10156	54.8
111.00808	22.2
111.03776	1.8
111.04482	9.7
111.08087	56.4
113.06025	12.4
119.00130	2.0
121.10139	17.4
122.96665	1.7
123.04438	6.0
123.08068	25.0
123.11701	59.1
124.04652	3.8
124.11239	1.8
125.09621	12.3
126.03136	37.2
127.07563	1.9
128.95100	2.3
133.10123	7.4
138.10396	5.9
139.03951	3.9
139.11191	16.4
141.05464	100.0
142.05814	2.6
151.03917	3.0
151.07533	5.0
151.11174	36.9
154.02614	4.2
154.07692	3.9
164.01627	1.8
169.04971	38.4
169.07579	7.8
169.10078	6.5
169.12247	54.2
170.09628	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	169.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	1.7
55.05516	5.0
56.13478	0.7
56.96561	2.0
57.03433	1.1
57.07077	2.6
59.05001	2.0
59.66157	0.6
65.03947	1.7
66.64001	0.7
67.05502	6.9
68.99784	5.1
69.03441	1.1
69.07070	4.0
71.04631	1.1
71.05000	12.7
71.51913	0.8
79.05502	6.4
81.03431	5.8
81.07059	30.2
83.04993	2.7
83.08649	0.7
85.02889	0.8
85.06545	2.0
89.06040	1.1
91.05476	2.5
93.02853	0.8
93.03414	0.8
93.07045	3.4
95.04963	3.2
95.08627	5.6
95.40199	0.6
96.08921	0.7
97.02917	1.1
97.06540	1.9
98.03674	3.3
99.04458	1.6
99.08116	2.2
102.03371	0.8
105.07043	2.5
107.08590	4.7
108.22919	0.7
109.02882	12.5
109.06530	5.4
109.10162	7.4
111.00808	25.6
111.04436	2.5
111.08089	1.6
113.06028	1.3
115.04153	0.9
123.04428	1.4
123.08074	3.5
123.11720	14.2
124.04671	1.5
126.03140	35.2
127.07589	3.6
133.10133	1.1
136.68991	0.6
139.11177	2.3
141.05470	100.0
142.05792	1.5
148.52997	0.7
151.03876	0.9
151.07498	2.8
151.11208	2.6
154.02513	1.7
169.04973	38.5
169.07535	2.7
169.08791	1.4
169.12195	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	169.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01880	0.6
57.03461	0.3
65.03922	0.3
68.99788	3.5
69.27110	0.3
70.74678	0.8
71.48662	0.3
81.03408	0.8
85.02898	0.5
91.52241	0.3
97.02882	1.1
98.03677	2.3
109.02876	2.5
111.00807	25.7
113.05991	0.4
123.08154	0.3
124.04676	0.3
125.02357	0.4
126.03137	30.6
141.05466	100.0
142.05811	1.4
151.77977	0.3
154.02597	0.5
169.04964	45.1
170.05278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.77845	0.3
55.01865	0.4
55.05480	0.3
67.05923	0.3
68.99789	3.2
71.33243	0.6
86.95513	0.3
93.56705	0.3
97.02911	1.3
98.03680	2.3
99.04464	0.3
109.02882	1.2
111.00811	24.4
125.02329	0.5
126.03141	30.2
141.05472	100.0
141.45514	0.4
142.05840	1.0
169.04973	44.5
170.05270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10263	1.9
50.83630	2.0
51.24040	1.9
53.03938	7.3
55.01861	9.6
55.05513	28.8
55.93505	2.7
56.96566	74.5
57.03425	8.2
57.07061	4.4
58.34573	2.3
59.04984	3.8
61.02919	4.7
65.03941	19.2
67.05502	29.5
68.99776	3.9
69.03432	13.9
69.07079	5.1
69.58986	14.6
70.06577	4.5
70.95873	2.2
71.01360	3.5
71.04978	7.1
73.02917	12.2
77.00754	2.1
79.05511	16.1
80.05764	2.0
81.03427	29.6
81.07054	21.4
83.00742	4.4
83.01251	2.2
83.04613	2.1
83.04988	23.4
83.08607	3.2
84.96039	4.6
85.02906	22.4
85.06539	3.0
85.94600	4.8
87.04465	3.6
89.00762	4.4
90.01534	5.3
91.05482	4.8
92.01280	2.1
93.03406	5.9
93.04758	2.1
93.07032	7.1
95.01332	4.6
95.04972	28.9
95.08620	12.5
96.01579	3.3
97.02310	3.4
97.02878	15.0
97.06527	3.7
98.01291	5.8
98.03680	2.8
98.21500	3.1
98.97585	50.5
99.04433	8.6
101.00774	3.5
101.05988	4.2
102.03356	6.6
103.95625	2.8
105.03423	12.6
105.07028	7.8
106.03697	3.0
107.08615	4.0
109.02880	54.0
109.06525	10.6
109.10155	7.4
110.01286	12.8
110.03660	5.6
110.51490	3.3
110.97551	5.0
111.00820	20.7
111.04478	30.5
111.08052	4.1
113.02374	3.0
113.06017	3.1
115.04122	3.3
116.98631	19.1
119.00179	4.6
119.01801	23.2
119.95072	2.3
121.08440	9.0
123.00790	8.2
123.04439	30.3
123.06354	5.6
123.08062	7.4
123.09097	4.3
123.11709	6.2
124.04673	15.0
124.07592	6.3
125.02341	2.7
125.05982	8.4
126.02263	3.4
126.03146	43.8
127.02392	2.5
127.03896	9.1
128.02325	37.9
128.52567	2.4
128.95091	3.3
128.98590	8.2
133.02849	6.4
133.10158	3.7
134.05995	9.7
134.99648	6.9
137.02831	4.0
141.01836	3.1
141.05473	100.0
145.01695	4.0
145.03479	6.2
145.96690	2.5
146.03961	3.4
146.99651	4.3
147.03188	2.7
151.03918	9.8
151.07544	4.2
151.11180	4.0
152.07065	23.9
154.02594	6.9
157.01683	5.1
157.04323	3.8
158.99641	13.4
159.03264	3.1
160.03868	26.9
160.54025	5.6
163.02701	3.3
163.97696	7.8
168.41679	2.5
168.95892	2.8
169.04823	49.4
169.07440	3.4
169.08659	5.0
169.54553	8.8
170.08197	5.1
170.09589	3.5
175.02821	11.8
177.00702	8.5
178.04926	2.8
181.98679	2.4
186.99225	2.7
187.02785	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	168.0657
Annotation	3-Hydroxy-4-methylanthranilate
Peak:m/z	Relative Intensity
51.02407	1.6
53.03950	7.4
55.01916	2.5
55.05548	2.5
56.96570	20.2
57.03468	3.0
60.95867	0.8
61.02966	2.2
65.03638	0.6
65.03979	2.1
67.05507	12.6
67.92540	1.1
69.03436	5.8
69.07090	1.9
69.80485	3.9
70.02962	0.7
71.05012	1.4
72.93826	1.1
73.02926	4.4
73.06582	1.6
77.03961	1.4
79.05497	28.1
80.05064	1.6
80.05866	2.3
81.03421	7.6
81.07069	0.9
82.94865	1.2
83.00803	0.7
83.04988	1.0
84.96033	3.4
85.02911	6.2
87.04494	1.0
93.05817	0.9
94.06576	31.8
95.04978	20.3
96.01573	0.8
96.04524	0.7
96.08119	0.9
97.02341	1.1
97.02893	7.0
97.06525	0.8
97.96831	0.9
98.06049	1.5
98.21455	1.3
98.97594	6.7
98.98241	0.9
98.98454	0.9
99.04482	2.5
99.97921	0.7
100.99143	1.6
101.00797	0.7
102.01569	0.8
103.00607	0.6
104.05002	1.1
105.03399	100.0
106.03705	0.8
106.06560	1.4
107.04962	6.8
108.04478	1.6
108.05273	0.9
109.02917	7.4
110.06042	1.4
110.97529	1.1
111.02111	0.9
111.04482	0.8
112.02846	0.9
112.07597	2.4
116.98635	3.5
117.02088	0.8
117.52305	0.8
119.01852	4.6
121.01655	2.8
122.06041	97.8
123.00816	0.9
123.04441	25.4
123.06364	1.5
123.97442	1.0
124.03954	0.9
124.04762	2.7
124.07581	0.8
125.05984	1.1
126.03114	1.0
126.05497	3.6
127.00684	1.7
127.02432	0.8
127.03924	3.3
128.02324	2.3
128.98616	1.3
129.02286	1.0
131.00162	1.0
132.04404	0.8
133.02867	22.6
134.02274	0.9
134.99670	1.0
140.03386	3.1
140.07027	2.7
141.05458	2.8
144.95845	1.2
144.98050	3.1
145.01747	6.3
145.03465	3.4
146.03551	0.7
146.99562	1.2
147.03236	2.1
150.02707	0.7
150.05511	24.9
150.09041	0.8
151.03906	8.9
152.04318	0.8
154.03883	5.8
154.53978	1.4
155.00142	1.1
156.03322	9.0
157.04372	1.5
158.99620	1.2
162.96893	1.3
162.99091	4.1
163.02739	6.1
163.04393	2.9
163.06137	0.7
165.94385	0.7
168.06494	46.9
168.10204	2.3
168.13742	0.9
169.04828	1.0
169.06728	0.8
172.95250	1.3
173.01149	0.9
174.04398	13.3
177.00679	0.9
177.04164	0.8
181.00085	0.6
181.03761	0.8
186.04352	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.9
53.03942	3.2
55.01872	7.7
55.05512	30.1
56.96550	2.2
57.03429	2.0
57.07056	2.1
59.04991	2.8
65.03933	1.5
66.04709	1.1
67.05161	1.0
67.05503	14.7
68.99786	2.3
69.03433	8.7
69.07071	10.1
71.05001	5.7
71.61128	0.8
73.06555	1.0
77.03918	1.2
78.04712	15.6
79.05492	30.6
79.05958	1.5
81.03415	2.2
81.07059	22.2
81.56664	0.8
82.04126	0.7
82.51689	0.7
83.04980	40.5
83.08623	13.3
84.96017	1.2
85.02888	0.8
85.06531	4.4
91.05482	8.7
93.06454	1.5
93.07046	28.1
94.04166	1.2
95.04961	4.7
95.08033	1.2
95.08613	17.6
95.09224	1.0
96.05740	1.6
97.02863	1.1
97.06533	11.3
97.10178	5.0
99.08123	1.0
103.00639	2.2
103.05460	0.6
105.03401	1.9
105.04527	1.4
105.07027	9.3
106.04170	6.6
107.04962	9.5
107.08597	56.2
109.02867	2.2
109.06516	12.6
109.10154	7.5
111.04453	2.8
111.08080	10.1
112.08843	2.6
119.08556	1.2
120.02078	0.9
121.01659	7.6
121.02927	1.1
121.06499	2.0
121.10151	36.0
122.03642	1.6
123.04431	27.1
123.08071	2.9
123.11723	4.7
124.01554	1.5
124.05235	9.0
125.06004	2.2
125.09647	5.5
126.02258	0.7
127.07571	1.5
131.08568	4.3
134.03574	1.3
135.04399	2.0
137.05965	1.5
139.02698	0.9
139.07523	4.0
139.11133	4.6
144.03281	5.1
149.02324	1.6
149.05966	1.0
149.09627	21.6
149.13225	4.8
151.03912	5.4
152.01038	0.9
152.04680	6.5
162.04314	1.4
167.03403	14.4
167.07043	100.0
167.10675	25.9
167.14314	15.5
168.07446	1.3
170.02014	0.6
172.24030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03952	3.0
53.19460	0.6
55.01857	2.7
55.05513	28.8
56.96559	1.1
57.03425	1.7
57.07076	1.3
59.05011	2.8
65.03923	1.6
66.04733	0.8
67.05225	0.5
67.05510	6.9
68.99801	0.6
69.03074	0.8
69.03431	8.6
69.07069	5.1
70.88342	0.7
70.88671	1.4
71.04985	2.0
71.44550	0.6
77.03938	1.2
78.04713	16.5
79.05495	15.1
79.99497	0.5
81.03423	1.1
81.07060	7.4
83.04985	32.7
83.08129	0.7
83.08624	10.9
85.02898	0.7
85.06544	3.8
91.05481	5.8
93.03413	1.2
93.07056	11.0
94.04204	1.0
95.04971	4.1
95.08613	2.9
97.02903	1.0
97.06519	3.1
97.10179	3.1
103.00630	2.1
103.05445	1.7
105.03389	1.8
105.04505	1.2
105.07047	3.8
106.04175	7.8
107.04953	7.5
107.08598	15.1
109.02866	2.0
109.06533	2.7
109.10162	6.0
111.04449	1.9
111.08086	9.4
112.08849	1.9
113.09628	0.6
121.01655	4.9
121.02898	1.3
121.06512	5.5
121.10146	13.7
122.03638	1.6
123.04432	30.5
123.08066	2.3
123.11700	2.6
124.05219	8.8
125.06010	1.6
125.09627	5.7
131.08566	1.0
134.03638	1.0
135.04443	1.5
137.05988	1.3
139.02708	1.1
139.07552	2.6
139.11185	1.6
144.03215	3.2
149.02321	1.9
149.05992	3.1
149.09618	4.5
149.13263	2.0
151.03906	6.5
152.04709	6.6
153.05431	0.8
162.04294	0.9
167.03394	2.2
167.07050	100.0
167.10684	5.3
167.14314	12.0
168.07367	2.0
174.10283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01860	2.7
55.05512	60.4
56.96552	2.0
57.03428	2.3
57.07071	2.8
58.07361	1.2
59.05008	8.1
65.03922	1.5
67.05229	1.1
67.05508	14.3
69.03432	15.2
69.04408	1.0
69.07071	12.2
69.50267	6.4
69.50671	2.3
71.04989	2.5
76.00811	1.0
77.03922	1.4
78.04716	16.5
79.05061	1.5
79.05495	22.8
81.03407	2.0
81.07059	14.4
83.04984	64.0
83.08620	28.1
85.02903	1.1
85.06560	6.7
91.05482	8.3
93.07051	21.1
94.04195	2.0
95.04974	4.9
95.08597	6.6
96.05747	1.4
97.06527	5.5
97.10176	7.4
98.21518	1.8
103.00629	3.5
105.04517	1.3
105.07036	6.0
106.04180	7.3
107.04981	9.2
107.08591	20.4
109.02883	1.9
109.06512	3.7
109.10167	12.3
111.04420	2.6
111.08080	18.7
112.08867	4.5
113.09623	1.9
119.97352	0.9
121.01661	8.3
121.02885	2.0
121.06497	4.8
121.10152	23.3
122.03683	1.8
123.04427	26.1
123.08071	2.9
123.11717	6.6
124.05240	9.1
125.05994	3.0
125.08698	1.9
125.09600	10.6
131.08562	1.9
133.07481	1.1
134.03642	2.1
139.02742	1.4
139.07513	3.8
139.11162	2.1
144.03255	6.1
149.02364	2.1
149.05951	2.8
149.07181	1.1
149.09592	5.3
149.13293	3.5
151.03909	4.4
152.04680	7.2
158.74692	1.1
167.03381	3.4
167.07048	100.0
167.10716	4.6
167.14326	25.9
168.07393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03942	3.8
55.01867	1.9
55.05514	10.8
57.07069	1.6
59.05005	3.5
65.03942	1.1
66.04730	0.6
66.80637	0.6
67.05492	6.0
68.10023	0.5
69.03427	3.3
69.07069	38.4
71.04977	0.9
71.35613	1.3
76.11060	0.6
77.03917	0.9
78.04710	13.8
79.05490	23.1
81.03422	0.9
81.07055	14.3
83.04985	3.4
83.08627	3.5
85.06522	0.7
91.05479	15.2
93.03419	0.8
93.07046	78.5
94.04209	0.7
94.07367	0.8
95.04979	4.5
95.08612	13.3
96.05757	1.3
97.06525	7.6
97.10177	1.0
99.08004	0.6
103.00650	0.8
103.05476	1.6
105.04528	1.4
105.07029	20.0
106.04193	4.7
106.07800	2.4
107.04965	5.9
107.08601	6.5
109.02891	1.5
109.06546	2.6
109.10136	1.0
111.04461	1.5
111.08084	1.0
111.11724	7.3
119.08581	3.8
121.01685	2.1
121.02931	0.6
121.06518	2.6
121.10144	100.0
122.03645	1.6
122.10455	1.1
123.04434	22.7
123.08071	5.4
123.11697	0.7
124.05213	6.3
125.05988	0.9
125.09596	1.0
131.08606	0.8
133.07600	3.5
134.03638	1.6
135.04462	1.3
137.05963	0.9
139.07564	1.4
139.11198	3.2
144.03276	1.1
149.02345	1.0
149.06053	0.5
149.09624	15.0
151.03923	4.4
152.04675	4.9
153.75021	0.6
167.03358	1.7
167.07042	79.1
167.10672	29.6
167.14297	0.7
168.07408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02394	0.4
52.03166	0.4
53.03932	1.5
55.05491	1.3
65.03908	0.5
66.04726	0.8
67.05492	1.0
69.03384	0.3
69.07064	1.1
69.51306	2.9
71.29168	0.4
77.03936	0.5
78.04710	15.0
79.05054	0.5
79.05492	5.9
81.03413	0.8
81.07062	2.7
83.08609	1.8
85.02885	0.4
91.05460	1.2
93.03386	0.6
93.07029	2.5
94.04182	1.1
95.04964	2.2
95.08598	0.7
96.05740	1.1
97.85777	0.4
105.03397	1.1
105.04494	0.5
106.04168	6.3
107.04958	3.4
107.08599	1.6
109.02883	1.2
111.08047	0.5
120.02097	0.4
121.02849	0.4
121.10131	0.9
122.03617	2.2
123.04430	27.3
123.11687	0.7
124.05210	8.0
125.09639	0.4
134.03621	1.3
135.04411	0.9
137.02371	0.3
137.05963	1.0
139.07481	0.5
149.13303	1.2
151.03880	4.7
152.04691	5.9
167.07040	100.0
167.14302	2.0
167.81187	0.4
168.07352	1.8
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	Veratraldehyde
Peak:m/z	Relative Intensity
51.02380	0.3
53.03936	1.3
55.01880	0.5
55.05505	1.0
56.96554	0.4
57.03426	0.3
63.02379	0.3
65.03944	0.9
66.04707	0.8
67.05506	1.5
69.03426	0.4
69.07059	1.3
69.37346	1.3
69.37775	1.6
71.04979	0.3
77.03905	0.5
78.04716	15.2
79.05495	7.3
81.03416	0.9
81.07082	1.7
83.04978	1.0
83.08628	0.6
85.02911	0.4
91.05469	1.4
92.02635	0.5
93.03390	0.4
93.07047	3.4
94.04182	1.2
95.04977	2.6
95.08607	0.7
96.05754	1.2
97.06535	0.5
98.20747	0.5
105.03383	1.4
105.04487	0.6
105.07019	0.9
106.04184	6.1
107.04975	4.4
107.08600	1.3
109.02859	1.7
109.06524	1.0
109.10174	0.5
111.04423	0.5
111.08076	0.5
120.02084	0.6
121.01683	1.2
121.02900	0.6
121.06527	0.7
121.10168	2.6
122.03659	2.3
123.04438	28.1
123.11703	0.4
124.05231	8.0
125.06018	0.7
134.03638	1.9
135.04414	1.0
137.02333	0.4
137.05968	1.2
139.07535	1.1
141.84894	0.3
144.03273	1.3
149.02353	0.7
149.09610	0.7
150.03073	0.3
151.03920	5.0
152.04689	6.7
162.04353	0.4
167.07048	100.0
167.14331	0.8
168.04213	0.6
168.07376	1.2
184.69112	0.3
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	Veratraldehyde
Peak:m/z	Relative Intensity
51.02376	0.4
52.03160	0.6
53.03946	1.4
55.01868	0.4
55.05509	0.6
65.03951	0.5
66.04716	0.8
66.33829	0.3
67.05502	1.2
69.92403	1.7
72.71629	0.3
77.03909	0.9
78.04718	15.3
79.05501	5.2
81.03416	0.5
81.07049	1.3
86.55657	0.3
89.74609	0.3
91.05476	1.4
93.07044	1.0
94.04198	1.2
95.04987	2.5
95.08600	0.5
96.05753	1.3
98.86469	0.3
105.03405	1.3
105.04532	0.8
105.07013	0.6
106.04177	7.9
107.04962	4.0
107.08587	1.8
109.02872	1.4
109.06499	0.7
109.10174	0.8
111.08075	0.5
117.23330	0.3
120.02122	0.7
121.02881	0.4
121.10154	1.2
122.03670	2.2
123.04440	28.8
124.05226	6.6
125.06001	0.4
134.03644	1.4
135.04411	1.1
137.02399	0.5
137.06039	1.5
138.03099	0.6
139.07602	0.4
144.03333	0.4
149.02357	0.4
151.03918	4.9
152.04695	6.6
167.07048	100.0
168.07358	1.1
178.60860	0.3
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	Veratraldehyde
Peak:m/z	Relative Intensity
53.03938	1.6
55.01874	0.5
55.05503	0.5
65.03931	0.5
66.04713	1.1
67.05495	0.8
68.99776	0.5
69.03110	0.3
69.07060	0.8
70.85515	0.3
70.85850	0.6
71.04990	0.4
77.03932	0.5
78.04713	15.5
79.05495	5.6
81.03413	0.5
81.07068	1.6
83.04987	0.5
91.05486	1.0
93.03407	0.4
93.07037	1.8
94.04179	0.8
95.04980	2.4
95.08601	0.8
96.05724	1.0
97.06538	0.3
103.00620	0.5
105.03401	1.4
105.04516	0.5
106.04176	7.0
107.04958	3.0
107.08609	2.5
109.02904	1.6
109.06532	0.8
116.90803	0.3
121.01662	0.6
121.06548	0.4
121.10132	1.1
122.03642	1.9
123.04430	26.6
124.05235	7.6
134.03630	2.1
135.04427	1.0
137.02316	0.5
137.05991	1.1
139.07520	0.4
144.03256	0.5
149.02405	0.6
149.09631	0.5
150.03070	0.6
151.03891	5.1
152.04691	6.4
165.05489	0.3
167.07039	100.0
168.07378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	MTHPA
Peak:m/z	Relative Intensity
50.30185	0.3
51.02383	0.3
53.03950	3.0
55.01874	1.7
55.05504	0.5
56.96562	0.4
65.03925	0.5
66.04721	0.3
67.05486	0.6
68.99782	0.7
69.03431	0.9
69.07048	0.8
70.83447	0.5
71.04983	0.3
72.46116	0.2
77.03918	1.2
78.04710	2.1
79.05499	14.3
81.03407	0.5
81.06701	0.3
81.07070	2.7
83.04973	0.6
85.06552	0.3
91.05486	13.1
93.07050	16.6
95.04969	3.6
95.08594	0.5
97.06515	1.6
98.20840	0.3
103.00628	0.8
103.05482	1.6
105.04520	1.1
105.06976	0.6
106.04156	1.0
107.01324	0.3
107.04972	2.3
107.08592	2.6
109.02863	0.5
109.06518	0.7
111.04456	0.4
113.06027	0.3
121.01704	1.2
121.02890	1.7
121.06509	12.1
121.10146	1.0
122.03621	0.4
123.04434	5.4
123.08062	0.7
124.05254	1.5
125.05965	0.4
134.03667	0.3
137.06012	0.4
139.06580	0.3
139.07545	1.2
139.11116	0.5
144.03281	0.8
149.05980	9.1
151.03914	1.1
152.04662	0.9
167.07043	100.0
168.07397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.71120	0.2
52.54874	0.1
53.30032	0.2
56.96564	0.4
69.93304	0.8
77.03919	0.2
79.05489	1.5
80.05016	0.2
91.05470	0.8
93.07046	2.5
95.04971	0.2
97.02897	0.2
98.20760	0.2
98.97575	0.4
103.05471	10.5
107.04952	2.3
108.85711	0.1
116.98698	0.2
118.06518	0.2
119.01865	0.2
120.08104	100.0
121.08443	1.4
131.04926	2.3
143.03603	0.2
149.05981	0.7
155.04709	0.2
155.89656	0.2
166.05029	0.3
166.08611	1.3
167.53618	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01569	0.5
52.03167	0.5
53.03951	3.1
55.01858	0.5
55.05501	1.1
65.03930	1.3
66.04713	1.1
67.05494	1.6
69.03426	0.6
69.07067	0.9
71.05247	1.1
77.03911	1.0
78.04712	17.0
79.05054	1.0
79.05493	14.4
81.03411	0.8
81.07051	4.2
83.04951	1.4
83.08622	0.5
91.05482	2.9
93.03411	0.7
93.07054	3.6
94.04179	1.5
95.04961	3.8
95.08581	1.1
96.05756	1.1
97.02895	0.5
97.06515	1.0
100.08245	0.4
101.02631	0.4
103.00636	0.6
103.81449	0.5
105.03371	1.4
105.04533	0.5
105.07025	1.1
106.04171	7.1
107.04955	12.5
107.08601	3.9
109.02879	1.9
109.06506	1.9
111.04420	0.8
111.08086	1.0
121.01685	1.5
121.02880	0.6
121.06507	1.2
121.10147	3.8
122.03653	2.6
123.04432	28.5
123.11742	0.8
124.05229	9.8
125.05958	1.6
125.09683	0.5
134.03635	1.2
135.04395	1.9
137.05971	1.3
139.07541	1.3
144.03265	1.5
149.02391	0.7
149.05986	0.7
149.09645	0.9
151.03905	5.7
152.04689	7.1
167.03410	2.4
167.07040	100.0
168.07385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03954	4.3
55.01862	2.1
55.05508	7.9
56.96554	1.8
57.03430	2.3
57.07069	3.1
59.04990	2.1
61.02933	1.6
65.03944	2.0
67.05505	21.7
69.03072	1.3
69.03432	22.0
69.07074	9.0
71.04983	1.9
71.61726	1.0
79.05494	11.9
81.02968	1.0
81.03423	15.1
81.07059	32.2
83.04977	6.6
83.08598	1.0
83.24226	0.7
85.02890	3.2
85.06537	0.9
91.03936	1.0
91.04943	1.2
91.05482	14.8
93.07045	10.3
95.04978	11.0
95.08610	25.5
95.69234	0.7
97.06531	2.4
101.00884	14.0
101.02538	1.0
103.05473	1.8
105.03374	0.9
105.07030	21.9
107.04953	3.0
107.08606	15.8
108.08868	0.8
109.02847	0.7
109.06522	20.2
109.10162	16.9
110.07302	1.1
111.04416	1.1
115.61364	0.7
119.01930	29.9
119.04932	4.1
119.08585	24.1
121.06500	1.0
121.10149	15.1
121.66599	0.6
122.03656	1.1
122.07321	5.4
123.04443	1.2
123.08074	25.0
123.11713	12.4
124.02472	1.9
124.05272	0.9
127.07554	2.1
128.97845	1.2
129.05569	1.1
132.09442	0.7
133.02855	1.9
133.06482	2.0
135.08130	0.8
137.02963	7.9
137.05994	5.7
137.09618	21.3
137.13217	2.5
142.03511	24.0
147.04402	5.4
147.08041	2.0
147.11694	19.1
150.10387	0.8
160.04556	5.5
165.01857	0.8
165.05412	2.4
165.09123	40.9
165.12759	100.0
166.13065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03942	5.9
55.01877	0.8
55.05510	3.9
56.96550	2.2
57.03427	1.7
57.07080	3.5
59.04990	2.3
61.02927	0.6
65.03919	0.7
67.05502	13.6
69.03429	28.3
69.07066	8.3
69.38385	5.7
71.04989	1.7
79.05484	5.5
81.03420	21.9
81.07057	18.3
82.99828	0.8
83.04979	4.7
83.08624	1.2
85.02898	2.1
85.06527	1.0
91.05490	5.8
93.07058	4.1
95.04969	13.0
95.08604	17.5
97.06506	0.7
101.00877	6.4
103.05442	0.8
105.07033	7.5
107.04906	0.7
107.08594	7.2
109.06518	16.7
109.10156	6.7
110.07285	2.4
111.08062	1.0
119.01919	12.8
119.07769	1.2
119.08572	11.3
121.06489	1.1
121.10152	6.1
122.07284	3.5
123.08067	19.1
123.11703	10.8
124.02391	0.7
129.05505	0.9
135.08009	1.1
135.11752	0.9
136.54712	0.8
137.02945	2.3
137.05986	1.3
137.09615	11.2
137.13240	3.8
142.03494	8.6
147.11681	5.2
157.23796	0.6
160.04558	1.7
165.05467	0.9
165.09125	15.1
165.12752	100.0
166.13046	1.1
180.99548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03939	1.1
54.52768	0.5
55.01863	1.8
55.05512	4.0
56.96575	0.8
57.03442	3.0
57.07081	2.3
61.02907	0.5
63.39258	0.4
65.03946	0.6
66.07703	0.6
67.05505	10.6
68.89594	0.5
69.03425	3.6
69.07063	3.5
69.60527	2.8
69.60938	0.9
71.04990	0.8
79.05495	6.3
81.03419	1.4
81.07053	14.5
82.99861	0.8
83.04997	3.1
83.08605	1.6
85.02900	1.2
91.05489	8.4
93.07040	10.9
94.04178	0.5
95.04961	4.5
95.08609	12.4
97.06498	0.6
98.21467	0.8
101.00876	4.9
103.05442	0.9
105.07032	10.2
106.07831	0.7
107.04958	1.4
107.08594	9.8
109.06520	17.3
109.10150	11.5
117.07029	1.4
119.01924	9.7
119.04940	1.7
119.07885	0.3
119.08575	16.9
121.06503	1.7
121.10141	20.7
122.07279	8.6
123.08084	10.3
123.11718	5.1
124.02442	1.0
135.08029	2.6
136.04745	0.5
137.02969	1.6
137.09616	100.0
137.13176	2.2
138.09982	1.7
142.03516	5.8
147.04419	3.0
147.08035	0.8
147.11682	5.3
148.02159	2.6
150.10414	4.0
160.04584	1.4
165.05466	1.3
165.09117	8.7
165.12756	33.7
166.13113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.05212	1.3
53.03943	5.4
55.05507	7.7
57.03430	2.7
57.07061	3.5
59.04989	1.4
60.98521	0.9
61.02926	1.2
65.03912	1.6
67.05165	1.1
67.05502	15.7
69.03429	24.1
69.07069	7.5
69.47692	7.0
71.04981	1.7
73.02879	1.0
79.05486	7.5
81.02968	1.6
81.03419	19.5
81.07059	20.7
82.99818	1.4
83.04979	6.4
83.08613	2.1
85.02894	1.9
86.40321	0.8
91.05481	9.7
93.07048	7.5
95.04974	14.6
95.08607	21.9
95.09209	1.2
97.02844	1.0
97.06535	1.0
98.21505	1.5
101.00883	15.1
103.05498	1.1
105.07029	14.6
107.04950	3.2
107.08597	10.0
109.06509	16.6
109.10163	10.0
111.04444	0.9
111.08067	1.4
117.06963	1.3
119.01916	35.4
119.04954	2.6
119.08583	18.8
120.02030	1.1
121.06539	1.6
121.10153	8.9
122.03693	1.0
122.07288	4.5
123.08076	24.5
123.11709	12.6
124.02481	2.3
133.02806	1.6
133.06479	2.1
135.04401	1.1
135.08018	1.4
135.11713	1.1
136.08879	1.2
137.03000	5.0
137.05986	3.6
137.09619	13.5
137.13251	3.7
142.03491	24.6
147.04437	5.8
147.08009	2.2
147.11694	8.4
160.04576	4.8
165.05557	5.2
165.09111	20.5
165.12758	100.0
166.13187	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	3.0
55.01872	2.3
55.05515	8.3
57.03435	6.3
57.07069	4.9
59.05003	4.5
61.02920	1.5
64.48523	1.0
64.97669	0.9
65.03922	2.6
67.05505	33.8
69.03427	13.1
69.07071	11.9
79.05492	16.6
79.43694	1.1
80.16571	0.9
81.03410	5.2
81.07055	35.4
82.99835	1.7
83.04973	6.3
83.08613	2.4
84.02615	0.9
85.02894	3.5
85.06534	1.5
91.05482	24.0
93.07047	9.6
95.04971	47.3
95.08606	37.2
95.09501	1.1
101.00884	18.4
103.05463	3.0
105.07029	27.2
107.04946	5.1
107.08594	43.6
108.08910	1.3
109.06519	29.0
109.10152	7.6
110.07283	2.5
110.63602	0.8
111.04446	1.7
117.07018	4.1
119.01923	43.9
119.04936	3.5
119.06148	1.7
119.08582	42.6
120.01990	1.0
121.06522	2.2
121.10140	11.0
122.07248	1.3
123.04434	2.0
123.08070	77.6
123.11703	29.1
124.02458	3.2
129.07011	1.6
132.05728	4.7
133.02840	1.4
133.06487	6.8
136.08826	1.5
137.02975	7.2
137.05974	9.3
137.09599	8.5
137.13312	5.9
142.03502	33.2
147.04422	8.8
147.08046	19.3
147.11685	11.9
160.04596	6.1
165.01933	1.6
165.05406	3.6
165.09108	12.8
165.12756	100.0
166.13040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	6.3
55.05514	24.6
55.44501	0.8
56.96566	3.9
57.03421	3.6
60.45596	0.9
61.02919	3.2
65.03923	2.8
67.05502	7.1
69.03073	1.1
69.03425	12.8
69.07058	1.8
71.01302	0.9
71.04982	2.1
71.13417	1.9
73.02882	1.0
73.04787	0.8
77.03918	1.6
79.05492	22.2
81.03398	3.5
81.07055	17.6
82.99840	2.4
83.04984	4.9
85.02901	7.5
91.03970	0.9
91.05474	24.2
93.07042	6.6
94.04198	1.8
95.04975	7.7
95.08602	8.7
97.02874	0.9
99.04449	2.7
100.02477	1.2
101.00878	31.2
101.01548	1.5
101.02621	1.0
103.05465	8.9
105.04523	1.6
105.07030	81.7
106.07310	1.1
107.04958	2.4
107.08582	3.3
109.02853	1.7
109.06513	12.7
109.10136	5.4
111.04427	2.4
111.08068	1.5
115.05414	1.2
117.07011	1.2
119.01919	100.0
119.04932	28.0
119.08572	10.6
120.01984	3.1
121.06455	1.3
121.10105	1.6
122.03630	4.8
123.04393	4.7
123.08037	5.8
123.11626	1.3
124.02425	6.7
124.05188	3.0
125.03815	0.9
129.05463	1.0
133.02824	2.4
133.06490	59.5
134.06807	1.1
137.02985	26.2
137.05977	67.2
137.09584	4.1
137.13190	0.9
138.03090	1.3
138.06393	1.3
142.03503	65.1
143.03690	2.0
147.04413	50.7
147.08018	3.3
147.11642	2.7
150.06688	0.8
160.04556	16.9
165.01846	1.9
165.05478	10.9
165.06686	1.5
165.07692	1.5
165.09099	24.1
165.12744	8.2
165.13940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03931	0.9
54.03451	0.4
55.01864	0.9
55.05294	0.4
55.05509	4.5
57.03448	2.3
61.02916	1.2
65.03928	0.8
67.05508	19.8
67.05867	1.0
69.03439	7.9
69.07045	0.8
71.04984	0.8
73.02926	0.6
79.05492	2.3
81.03398	1.7
81.04527	0.7
81.07061	6.0
83.02463	2.1
83.04988	6.9
83.06087	1.6
84.39099	0.4
85.02926	2.8
85.13573	0.4
91.05481	5.9
93.07034	1.7
95.04961	1.8
95.08612	2.5
98.16496	0.5
98.20703	1.0
99.04446	1.9
101.00886	0.7
103.05478	0.9
105.07024	1.0
107.04967	2.5
107.06071	0.6
107.08591	1.5
109.06497	1.2
109.10155	19.4
109.16016	0.4
111.04435	1.3
117.07021	1.1
119.01947	2.9
119.04950	0.9
119.08592	16.2
119.09446	0.8
121.06492	1.4
121.07381	0.5
122.07280	12.6
123.07980	2.2
123.09150	0.5
124.05076	1.0
124.08717	2.5
129.05466	0.8
135.08089	0.8
136.36758	0.6
137.03014	0.8
137.05972	1.1
137.09619	44.9
138.09987	1.0
142.03511	2.4
147.04395	1.5
147.08072	1.0
165.09116	100.0
165.11395	2.5
165.12770	1.8
166.09427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03952	1.0
55.01885	0.8
55.05511	4.2
57.03437	3.2
61.02922	2.2
67.05510	15.0
69.03432	8.4
69.07084	0.8
71.04990	0.8
77.52210	0.8
79.05505	2.5
81.03439	1.3
81.07065	7.3
82.01440	0.9
82.99843	3.6
83.01518	1.0
83.04985	5.9
85.02911	4.0
85.06502	0.8
91.05502	5.6
93.07048	1.3
95.04969	3.0
95.08601	3.0
98.21617	1.6
99.04465	1.5
100.02502	2.3
101.00883	35.2
101.02578	2.1
103.05479	0.8
104.06352	0.7
105.07038	2.5
107.04971	2.2
107.08636	1.2
109.06508	1.7
109.10158	17.7
111.04468	1.5
117.07020	1.0
119.01923	100.0
119.04930	1.6
119.08591	13.9
120.02048	2.9
121.06530	1.2
122.07295	12.1
123.08105	1.0
124.02425	6.7
124.03076	0.6
129.05432	1.1
130.01013	2.1
136.56837	0.7
137.02959	25.8
137.05948	1.3
137.09616	41.2
138.09941	1.0
142.03502	78.5
143.03600	2.5
147.04405	2.8
147.06548	0.7
147.11807	1.1
160.04546	16.7
161.04732	1.1
164.92032	0.8
165.05263	7.6
165.09113	86.9
165.12735	2.5
166.05286	0.9
166.09456	1.1
169.21327	0.8
183.06198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03934	1.3
54.92749	0.6
55.01857	0.7
55.05518	4.6
56.05058	0.8
57.03429	2.6
61.02916	0.8
62.34834	0.5
67.05170	1.3
67.05510	19.3
69.03107	0.7
69.03432	6.4
69.07065	1.1
69.65016	0.6
69.66412	3.4
71.04999	0.7
71.46181	0.6
79.05479	1.5
81.03404	1.0
81.04555	0.9
81.07062	6.4
83.02467	3.8
83.04986	5.7
83.06093	2.0
85.02906	3.3
91.05487	6.7
93.07030	1.6
95.04957	1.8
95.08598	3.0
99.04440	1.1
101.00890	2.0
104.06249	0.6
105.07045	0.8
107.04950	3.4
107.06098	0.8
107.08611	1.4
109.06515	1.6
109.09442	1.2
109.10159	18.7
111.04464	1.1
117.07018	0.9
119.01953	5.4
119.04935	1.7
119.07781	1.0
119.08586	16.6
121.06490	1.2
122.07290	14.1
123.06680	1.3
123.07968	2.0
124.05112	1.2
124.08731	3.1
133.25058	0.6
137.02968	1.6
137.05963	1.0
137.09624	45.5
142.03551	3.7
147.04428	1.5
147.07961	0.7
148.08759	0.6
160.04504	0.8
165.09123	100.0
166.09470	2.0
183.56976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03940	1.3
55.01855	0.6
55.05510	4.2
56.96562	0.7
57.03418	1.1
61.02912	0.8
65.03929	0.7
67.05503	20.2
69.03425	3.0
69.07048	1.3
69.70728	1.3
69.71154	1.6
79.05489	3.8
81.03410	1.1
81.07056	9.3
82.99836	0.5
83.04979	4.7
85.02885	1.6
86.36386	0.4
91.05486	7.1
93.07045	5.0
95.04971	4.5
95.08614	5.0
98.20875	0.7
99.04446	0.5
101.00877	6.0
101.02538	0.7
103.05457	0.6
104.06237	0.8
105.07019	2.6
107.04942	3.4
107.08614	2.4
109.06508	2.8
109.10156	19.6
117.07008	1.3
119.01923	12.3
119.04935	1.5
119.08579	17.3
119.97311	0.5
121.06512	1.0
121.10168	1.2
122.07280	13.8
123.08058	1.4
123.11722	0.5
124.02489	0.9
129.05501	0.6
133.02861	0.9
135.08047	0.6
137.02971	2.3
137.06015	2.4
137.09615	49.5
138.09909	1.1
141.24576	0.5
142.03506	9.9
147.04376	2.0
147.08069	1.3
147.11682	1.7
150.81644	0.5
160.04521	1.7
165.05385	1.7
165.09109	100.0
165.12729	4.6
166.09421	1.7
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
56.96576	1.6
57.03458	0.8
60.98021	0.6
69.03437	1.8
69.91256	2.1
69.91666	1.3
70.99844	0.6
72.19731	0.6
73.02916	1.0
81.03437	0.7
82.01449	1.0
82.99847	5.6
85.38571	0.5
91.05465	0.9
94.57463	0.7
95.04996	0.7
98.21562	0.7
98.97630	0.9
100.02469	1.1
101.00885	57.2
109.02863	0.6
115.02416	1.0
117.03992	0.6
119.01926	100.0
120.02050	2.0
123.04433	0.9
124.02457	10.5
133.03500	0.6
137.02962	15.3
142.03508	77.9
143.03600	1.3
147.04370	1.1
154.29929	0.6
159.19543	0.5
160.04559	12.1
161.02974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02374	1.0
53.03942	7.4
53.69524	1.0
55.01876	2.6
55.05303	0.9
55.05511	10.9
56.96565	1.2
57.07064	4.0
59.97378	0.9
63.02368	1.7
65.03937	1.5
67.05489	4.7
69.03425	2.6
69.07066	25.6
70.16476	1.1
70.89190	2.9
70.89562	1.2
73.02914	1.1
75.04990	1.0
77.03919	3.4
79.05047	1.9
79.05492	31.3
79.74200	1.0
81.03423	1.2
81.07054	12.7
82.01434	1.4
83.08617	10.4
85.02905	1.6
89.03916	56.6
90.00573	1.0
91.04936	1.9
91.05480	18.6
91.63211	1.0
92.02635	1.6
92.79568	1.1
93.07043	40.7
95.04969	8.4
95.08611	11.8
100.02477	2.0
103.05470	86.5
105.03381	1.1
105.04516	3.3
105.07033	18.8
106.06549	1.6
107.04960	24.4
107.08595	83.5
108.09413	2.4
109.06486	2.8
109.10130	2.6
115.05462	2.5
117.03381	40.1
117.05708	1.4
117.07027	7.4
119.04889	1.3
119.06112	1.8
119.08598	13.0
120.05715	1.6
120.09368	1.2
121.06487	3.5
121.10144	82.2
123.08077	2.0
130.06516	3.6
130.07771	2.3
131.04927	100.0
132.05229	2.4
132.08067	3.6
133.02873	6.7
133.06488	1.8
133.07600	1.1
135.04414	79.7
135.08023	6.4
135.11685	21.0
136.04759	1.8
145.02850	29.5
145.03940	2.5
145.06479	2.8
145.10120	10.5
148.05241	1.3
163.03906	90.0
163.07536	42.1
163.08916	1.9
163.11177	32.5
163.12344	2.8
163.14822	33.5
164.04265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.93140	1.0
53.03943	4.4
54.18596	0.7
55.01862	3.6
55.05511	10.9
57.07077	4.5
63.02380	1.0
65.03963	1.1
67.05492	2.9
67.11807	0.8
69.03431	1.8
69.06716	1.6
69.07069	27.8
71.61874	1.5
73.82789	0.7
77.03932	1.8
79.05494	22.6
81.03426	1.1
81.07056	8.7
83.08617	11.7
85.02899	2.5
89.03921	30.4
91.04960	1.3
91.05482	15.4
93.07043	33.7
94.07306	0.8
95.04972	5.2
95.08589	7.0
100.02487	1.7
103.05472	22.6
105.03381	2.0
105.04501	1.5
105.07040	19.0
105.27938	0.8
105.41695	0.8
107.04954	9.8
107.08595	89.4
108.09369	2.5
109.06509	2.1
109.10145	3.1
115.05457	1.0
117.03379	23.4
117.06985	4.1
119.06116	1.1
119.08591	13.5
121.06506	2.3
121.10144	100.0
122.10670	0.8
128.02347	1.0
130.06543	1.7
130.07784	1.4
131.04926	25.1
132.08064	1.1
133.02852	3.5
133.07602	1.5
133.10060	1.0
134.10896	1.1
135.04416	46.8
135.08055	3.3
135.11693	25.7
136.07610	5.4
145.02856	17.9
145.03952	2.0
145.06442	1.6
145.10120	7.8
148.08830	1.3
148.12602	1.0
151.87556	0.8
163.03908	52.0
163.07564	12.1
163.09816	1.8
163.11182	28.0
163.12306	1.4
163.14819	31.4
164.04204	1.3
164.06995	1.4
164.15218	1.0
183.18333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03942	7.4
53.69524	1.0
55.01876	2.6
55.05303	0.9
55.05511	10.9
56.96565	1.2
57.07064	4.0
59.97378	0.9
63.02368	1.7
65.03937	1.5
67.05489	4.7
69.03425	2.6
69.07066	25.6
70.16476	1.1
70.89190	2.9
70.89562	1.2
73.02914	1.1
75.04990	1.0
77.03919	3.4
79.05047	1.9
79.05492	31.3
79.74200	1.0
81.03423	1.2
81.07054	12.7
82.01434	1.4
83.08617	10.4
85.02905	1.6
89.03916	56.6
90.00573	1.0
91.04936	1.9
91.05480	18.6
91.63211	1.0
92.02635	1.6
92.79568	1.1
93.07043	40.7
95.04969	8.4
95.08611	11.8
100.02477	2.0
103.05470	86.5
105.03381	1.1
105.04516	3.3
105.07033	18.8
106.06549	1.6
107.04960	24.4
107.08595	83.5
108.09413	2.4
109.06486	2.8
109.10130	2.6
115.05462	2.5
117.03381	40.1
117.05708	1.4
117.07027	7.4
119.04889	1.3
119.06112	1.8
119.08598	13.0
120.05715	1.6
120.09368	1.2
121.06487	3.5
121.10144	82.2
123.08077	2.0
130.06516	3.6
130.07771	2.3
131.04927	100.0
132.05229	2.4
132.08067	3.6
133.02873	6.7
133.06488	1.8
133.07600	1.1
135.04414	79.7
135.08023	6.4
135.11685	21.0
136.04759	1.8
145.02850	29.5
145.03940	2.5
145.06479	2.8
145.10120	10.5
148.05241	1.3
163.03906	90.0
163.07536	42.1
163.08916	1.9
163.11177	32.5
163.12344	2.8
163.14822	33.5
164.04265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03937	6.0
55.01862	4.5
55.05510	14.6
56.96568	1.9
57.07055	4.6
61.43699	1.2
63.02361	2.6
63.60121	1.3
65.03927	3.0
67.05493	5.7
67.69247	1.3
69.03436	8.1
69.06721	1.6
69.07074	28.2
71.61919	2.2
73.22575	1.3
77.03909	3.2
79.05058	2.1
79.05496	36.2
79.92672	1.4
81.03423	1.4
81.07052	9.5
83.08604	8.5
89.03915	61.3
91.05486	23.2
93.07043	55.0
95.04958	9.5
95.08598	6.6
103.05463	19.7
105.03384	1.7
105.04490	3.0
105.07031	30.5
107.04961	23.2
107.08594	100.0
108.09377	4.1
109.06502	4.3
109.10165	2.4
115.05470	1.8
117.03380	53.4
117.07011	6.5
119.08582	18.5
121.06478	5.2
121.10143	87.4
123.08098	2.9
126.66705	1.6
130.06540	1.8
130.07797	2.9
131.04932	17.7
132.08134	1.8
133.02841	5.1
133.06511	1.9
133.07658	2.5
133.10092	1.5
134.10950	1.5
135.04419	87.9
135.08067	11.2
135.11688	29.6
136.04726	2.1
144.38277	1.5
145.01726	3.0
145.02849	38.8
145.03943	2.1
145.10127	21.1
151.66766	1.3
163.03905	93.1
163.07532	15.1
163.11182	53.3
163.12306	2.0
163.14825	29.9
164.04285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02385	1.2
53.03950	6.2
55.01857	3.2
55.05511	6.4
56.96552	1.3
57.03425	1.5
57.07061	3.3
63.02331	0.7
65.03930	2.7
67.05508	4.7
67.80028	0.7
68.99780	2.2
69.03429	5.2
69.07066	27.0
69.36250	1.9
69.36646	6.6
71.04984	1.0
72.38937	0.9
77.03924	2.4
79.05492	33.0
81.03413	1.8
81.07049	8.7
83.04977	1.2
83.08619	10.9
84.08154	1.3
85.02899	2.5
89.03915	25.1
91.05481	19.8
92.02606	1.4
92.06265	1.0
93.03412	3.7
93.07046	36.7
95.04970	8.9
95.08605	9.0
100.02470	2.4
101.00770	1.0
102.06862	0.7
103.05468	94.8
104.05800	1.2
105.03397	1.9
105.04506	3.6
105.07031	27.3
105.07751	1.6
106.06577	1.0
107.04955	33.9
107.08592	92.4
107.13038	0.9
108.09454	1.2
109.06518	2.5
109.10137	2.1
115.05457	5.7
117.02599	1.2
117.03377	19.9
117.05719	1.6
117.07016	9.5
118.03467	0.9
119.01806	1.2
119.04902	1.3
119.06093	1.9
119.08584	13.1
120.05693	1.1
121.02882	1.1
121.06499	5.2
121.10144	79.8
122.10501	0.9
123.08089	2.3
126.54845	0.7
127.03900	0.8
130.06511	3.4
130.07787	3.7
131.04924	100.0
132.05286	0.8
132.08101	3.5
133.02878	7.8
133.06531	1.1
133.07574	2.0
135.04419	46.5
135.08058	11.4
135.11691	35.3
145.02844	12.7
145.03935	1.8
145.06480	2.9
145.07550	0.9
145.10127	18.2
147.08070	1.5
147.09154	1.3
148.08830	2.0
148.12573	0.9
163.03905	67.4
163.07547	33.1
163.11174	49.2
163.12283	2.2
163.14828	28.9
163.16251	1.0
164.04221	1.6
164.07079	1.8
181.02864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	1.6
53.03946	5.8
55.01864	2.1
55.05513	7.1
56.96568	6.1
57.03437	1.3
57.07068	4.3
61.02912	1.1
63.02362	1.6
65.03944	2.3
67.05495	3.3
69.03436	4.4
69.07069	38.9
69.68713	5.0
69.69118	1.7
71.04965	0.9
77.03918	2.4
79.05497	30.3
81.03419	1.4
81.07045	8.0
83.08620	7.8
85.02912	4.7
89.03916	38.3
90.01502	0.9
91.04944	1.6
91.05482	17.6
92.02609	1.7
93.07044	28.5
95.04974	8.2
95.08598	7.9
98.21558	1.4
98.97595	1.8
99.02130	1.2
100.02474	1.6
102.96896	1.0
103.04780	1.8
103.05469	34.0
105.03371	3.3
105.04526	2.7
105.06335	0.5
105.07025	18.2
106.06548	2.8
107.04956	37.4
107.08593	81.9
108.05246	0.8
108.09472	1.0
109.06519	2.5
109.10138	1.9
115.05459	4.0
116.04943	1.6
117.03380	33.3
117.05740	1.6
117.07008	5.9
118.03529	1.3
119.04962	1.6
119.06065	1.8
119.08602	6.4
120.05766	1.7
120.08087	1.5
121.00759	1.1
121.06544	1.3
121.10147	41.9
121.96681	0.9
122.04906	4.3
123.08089	1.2
125.05405	1.9
130.06552	5.5
130.07422	0.9
130.07758	0.7
131.04951	25.0
131.55582	2.0
132.08095	6.3
133.02837	9.8
133.10117	1.4
134.10875	1.0
135.04417	73.7
135.08037	8.4
135.11703	19.5
136.04764	1.0
136.07542	2.1
140.05939	15.7
140.56160	1.3
145.01730	1.5
145.02866	22.6
145.03947	1.9
145.06490	3.6
145.10139	3.8
148.12466	1.0
163.03908	100.0
163.07516	18.2
163.08760	1.6
163.11139	9.5
163.12373	3.3
163.14807	31.0
164.04268	2.5
181.02905	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.84154	0.8
53.03946	5.5
55.01844	1.4
55.05515	5.5
57.03419	0.7
57.07067	1.0
65.03922	2.0
67.05504	5.7
69.03423	3.7
69.06715	1.5
69.07067	23.4
71.62034	1.4
73.02888	1.4
77.03906	1.6
79.05492	26.0
81.03428	1.4
81.07059	22.6
83.08618	5.7
85.02886	2.7
85.55370	0.9
89.03397	1.5
89.03918	23.2
89.11360	0.9
91.04946	1.3
91.05476	14.8
93.07043	41.2
95.04973	5.3
95.08607	19.4
100.02513	0.8
103.05470	40.2
104.05737	1.3
104.52199	1.0
105.03405	1.7
105.04549	2.3
105.07046	9.4
106.06567	1.3
107.04278	1.2
107.04959	14.5
107.08593	100.0
109.02783	0.9
109.06526	1.8
109.10172	1.0
114.16695	0.7
115.05440	3.0
116.26624	0.8
117.03378	18.6
117.07027	4.7
119.06039	1.6
119.08568	6.7
121.06513	4.3
121.10139	30.5
121.11014	1.6
130.06555	1.0
130.07788	1.1
131.04929	44.4
133.02829	4.5
135.04416	41.5
135.08055	4.1
135.11682	13.4
145.02855	14.5
145.03952	1.0
145.06473	2.6
145.10088	4.7
163.03906	53.5
163.07539	24.4
163.11174	15.2
163.14821	68.9
164.04265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02404	1.4
53.03944	7.5
55.01863	3.5
55.05508	9.3
56.96560	2.3
57.03412	1.4
59.48466	0.9
63.02361	1.5
65.03921	2.8
67.05506	7.3
69.03416	3.9
69.07069	18.3
71.60989	1.2
71.61377	1.3
73.02910	1.3
77.03918	2.7
78.03330	0.9
78.49887	1.0
79.05497	41.9
81.03432	1.4
81.07057	37.6
83.08624	7.3
85.02906	1.5
89.03918	36.2
91.05483	18.5
93.07047	46.9
95.04967	11.2
95.08608	22.9
98.97601	2.9
100.02480	5.2
103.05470	87.1
105.03405	2.9
105.04504	2.5
105.07025	12.9
106.06512	1.4
107.04952	26.5
107.08595	86.6
109.06528	2.6
109.10151	1.5
115.05449	3.4
116.44892	1.1
116.98634	1.0
117.03384	30.2
117.07013	7.4
118.03571	1.5
119.01810	3.2
119.04945	2.0
119.06076	1.3
119.08558	6.4
120.05759	1.5
121.06512	4.7
121.09294	1.9
121.10152	31.3
122.09688	7.4
123.08064	2.1
130.06554	2.8
130.07771	2.4
131.04930	100.0
131.66191	1.0
132.02113	1.0
132.05249	1.9
132.08087	2.7
133.02852	9.3
133.06516	1.7
133.10146	1.5
135.04420	58.1
135.08015	9.3
135.11703	12.7
142.14249	1.0
145.02864	21.8
145.03964	2.5
145.06476	3.2
145.10130	13.0
148.05194	3.4
148.08806	4.1
163.03914	95.2
163.07544	42.9
163.08949	1.9
163.11186	51.8
163.12283	2.4
163.14824	49.0
164.04416	1.7
164.10637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02368	1.3
53.03941	6.6
55.01874	20.9
55.05510	7.3
55.41450	0.9
56.96554	2.3
57.03421	3.3
57.07063	2.3
61.02917	2.1
65.03938	2.4
67.05494	4.2
68.99790	0.9
69.03429	8.1
69.07071	17.1
69.52425	2.2
69.52827	4.4
73.02901	0.9
76.08292	0.9
77.03918	3.1
79.05492	32.6
80.19514	0.9
81.03396	2.8
81.07053	11.0
83.04982	1.3
83.08632	6.1
85.02910	12.5
89.03919	27.2
91.05478	25.2
92.02631	1.9
93.03399	1.4
93.07048	48.7
95.04965	7.9
95.08620	8.0
97.02891	2.5
98.97564	1.4
99.04425	1.1
100.02495	2.1
103.05470	37.0
105.03386	2.1
105.04527	3.0
105.07033	24.7
106.02877	1.0
106.06567	1.3
107.04955	19.5
107.08592	82.8
108.09368	1.2
109.06525	2.8
109.10110	1.1
115.05440	3.5
117.02711	0.9
117.03374	24.6
117.07007	10.0
119.01752	1.5
119.05038	1.0
119.06073	1.5
119.08585	35.2
121.06530	7.4
121.10144	69.6
123.08049	1.9
130.06526	2.4
130.07765	3.4
131.04932	42.9
132.08073	2.9
133.02849	6.8
133.06479	4.0
133.07513	1.1
133.10100	1.2
135.04420	54.5
135.08020	6.6
135.11703	26.6
136.07550	2.1
145.02863	18.2
145.03915	1.7
145.06470	2.8
145.10112	25.8
147.08104	1.2
148.08858	3.0
158.06064	1.0
161.37886	0.9
163.03909	73.9
163.07542	18.0
163.11179	100.0
163.14816	20.9
164.04303	1.3
164.07065	1.2
164.11531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02387	0.4
53.03948	1.3
55.05511	0.6
57.03423	0.3
59.47126	0.3
63.02372	0.4
67.05502	0.7
69.07067	1.0
69.34402	2.7
69.34781	0.5
77.03939	0.6
79.05490	3.8
81.07053	2.5
83.08633	0.5
85.02925	1.0
89.03922	4.9
91.05482	2.1
93.07039	3.4
95.04982	1.7
95.08622	1.6
103.05472	77.7
104.05817	1.2
105.04551	0.4
105.07034	1.8
107.04949	4.4
107.08608	5.9
115.05478	0.8
117.03373	4.5
117.05755	0.5
117.07015	1.1
119.08578	0.8
121.06521	0.6
121.10143	3.9
121.22601	0.4
130.06540	0.9
130.07794	0.3
131.04932	100.0
132.05281	1.1
132.08109	0.6
133.02856	1.2
135.04422	7.3
135.08057	1.8
135.11646	1.5
145.02855	2.4
145.10135	1.1
150.15021	0.3
163.03914	10.1
163.07545	43.4
163.11174	5.6
163.12370	0.6
163.14821	3.1
164.07935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.02391	0.7
53.03952	3.7
55.01876	1.6
55.05507	1.3
61.02937	0.5
63.02381	2.2
65.03954	0.7
65.69596	0.6
67.05511	0.9
69.03439	1.7
69.07069	5.3
69.42982	3.4
69.43406	1.8
76.62960	0.7
77.03935	1.6
79.05045	1.2
79.05492	17.0
81.03406	0.8
81.07056	2.9
83.08621	1.7
84.71717	0.6
85.02905	1.7
89.03918	77.2
90.04285	0.9
91.05473	5.8
93.07039	6.7
95.04951	4.1
95.08595	2.4
98.20772	1.3
103.05466	44.0
105.04534	1.4
105.07017	4.6
107.04953	19.0
107.08590	18.1
117.03379	66.8
117.07051	1.5
118.03678	0.9
119.08583	2.1
121.06479	1.6
121.10133	14.8
123.08056	0.8
128.02310	0.8
130.06552	0.7
131.04932	50.4
132.05263	0.9
132.08119	0.9
133.02844	1.9
133.10138	1.2
135.04416	100.0
135.08044	2.1
135.11702	3.3
136.04749	1.5
136.07574	1.1
145.02852	45.6
145.06470	1.1
145.10101	3.1
148.08865	0.6
163.03905	89.3
163.07529	12.7
163.09789	1.2
163.11153	13.8
163.12457	0.9
163.14809	7.9
164.04268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.67928	0.8
53.03942	2.0
63.02390	2.6
68.14084	0.6
70.96687	1.4
70.97050	1.3
72.30652	0.6
77.03951	0.9
79.05489	11.1
85.63173	0.6
89.03919	76.5
91.72882	0.8
95.04974	2.3
107.04953	12.3
108.58276	0.6
115.36800	0.7
117.03382	64.2
118.03706	0.8
132.86777	0.7
135.04417	100.0
145.02853	45.5
145.03879	1.7
163.03908	79.9
164.04362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03949	2.0
63.02383	2.2
68.95593	0.8
70.35548	0.9
70.55756	2.5
77.03926	0.8
79.05496	10.9
87.11534	0.8
89.03920	78.3
90.04219	1.1
91.05483	1.3
95.04957	1.9
103.05473	3.0
105.04494	1.5
107.04955	14.1
117.03383	67.5
118.03730	1.1
131.04933	3.0
132.57233	0.8
135.04422	100.0
136.04788	1.3
145.02855	44.6
145.03896	1.9
163.03911	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	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
51.02377	0.5
53.03946	2.4
63.02375	2.0
65.03944	0.6
65.75695	0.5
65.86884	0.4
70.31547	0.5
71.15607	1.3
74.90987	0.5
77.03918	1.0
79.05495	9.9
87.61996	0.6
89.03916	72.1
91.05492	0.8
95.04971	2.5
103.05461	2.8
104.89798	0.6
105.04519	0.9
107.04955	14.3
107.08580	0.6
117.03378	69.1
131.04895	3.3
135.04416	100.0
136.04883	0.6
145.02849	44.8
145.03842	1.5
163.03902	81.7
163.07552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05029	2.1
53.03934	0.7
55.05526	2.4
56.96566	1.9
57.03443	0.6
57.07065	0.4
61.02928	0.8
65.03939	0.6
67.05503	1.9
68.05058	0.5
69.03406	0.6
69.07068	4.9
70.06590	100.0
70.56439	0.6
70.56758	9.6
70.98124	0.4
71.04989	1.2
71.06928	0.4
71.12186	0.5
71.12508	0.5
72.08142	0.5
79.05496	3.0
80.05816	0.4
81.07054	10.4
82.06576	3.6
82.07374	0.7
83.04977	0.4
83.07384	0.6
83.08618	1.2
84.04536	0.3
84.08141	20.7
85.02913	0.8
85.08456	0.8
89.03919	2.9
90.08168	0.4
91.05484	1.0
92.05865	0.4
93.07066	1.8
95.04981	1.0
95.08022	0.7
95.08601	6.5
96.08135	1.3
96.08968	0.6
97.07664	1.4
98.97602	0.9
100.07590	0.4
102.96886	1.4
103.05468	4.9
104.05819	0.5
105.03380	0.4
105.07090	2.0
106.06690	0.5
106.07320	2.0
107.04946	2.0
107.08572	1.7
108.08106	0.4
108.17197	0.3
110.01279	0.5
110.09696	0.5
112.11255	1.2
115.05412	0.4
116.05845	0.4
117.03385	1.8
117.07042	0.9
119.01869	0.3
119.08610	0.7
120.08105	0.8
120.08888	0.8
120.97914	0.6
121.00807	0.4
121.10152	1.4
123.11740	0.8
127.12297	2.6
131.04919	4.8
132.12784	37.3
132.62956	8.1
133.02870	0.7
133.06520	0.4
134.05991	0.7
134.06894	1.1
134.10559	0.4
135.04407	5.1
135.08064	0.9
135.11703	0.7
137.13257	0.7
138.98973	0.5
139.01865	1.0
139.12288	2.7
142.08633	0.4
145.02809	1.8
145.10127	1.0
147.04375	0.4
153.29823	0.4
162.03308	0.8
162.05539	1.6
162.06711	0.6
162.09015	2.2
162.11223	0.5
163.03909	7.1
163.05196	0.5
163.07521	2.4
163.11235	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	2.2
55.01871	1.7
55.05510	4.3
55.41644	0.8
67.05502	8.0
69.07063	5.3
71.62033	0.9
76.52722	0.7
77.03909	1.1
79.05490	11.3
81.07056	18.0
90.04705	1.1
91.05482	25.9
93.07050	10.9
95.04968	2.0
95.08598	5.8
96.64137	0.8
103.05487	7.6
105.03358	1.2
105.07032	100.0
106.07390	1.5
107.08572	4.2
107.92500	0.9
115.05454	9.9
117.07018	5.4
118.04168	6.7
119.08580	98.4
121.10176	1.1
124.76366	0.8
127.20200	0.7
131.04939	1.6
131.08572	3.8
132.09346	1.6
133.02875	1.2
133.06494	14.8
133.10129	41.4
143.06050	2.1
143.08531	1.3
146.03642	2.2
146.07272	1.3
146.10899	1.0
147.03897	0.9
159.11696	2.3
161.02315	1.1
161.05984	11.0
161.09644	8.7
161.13260	70.8
162.13603	0.9
177.67326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02356	0.5
53.03934	1.8
55.01862	0.8
55.05515	2.2
56.96570	0.5
57.17572	0.5
67.05492	1.2
69.07056	1.6
70.00635	1.5
70.01051	0.8
70.67860	0.4
74.18571	0.5
77.03895	0.9
79.05496	7.7
81.07045	2.4
87.59143	0.4
89.03905	0.6
90.04688	1.8
91.05476	7.8
93.07040	2.1
95.04958	1.8
95.60983	0.4
98.20821	0.7
103.05470	7.6
105.04523	0.8
105.07028	37.1
107.08574	0.9
115.05447	6.6
117.06993	1.7
118.04157	20.1
119.04951	1.0
119.08583	16.9
121.06476	1.2
121.10128	1.8
128.06204	1.6
129.06978	0.9
131.04922	8.8
131.08559	2.3
132.05692	1.5
133.06494	10.2
133.10126	11.5
143.06017	1.2
143.08521	1.4
146.03627	9.5
146.07254	2.4
146.10915	0.7
161.05975	100.0
161.09598	16.8
161.13239	18.5
162.06334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	0.9
55.05503	1.1
56.96557	0.3
67.05493	1.2
69.03430	7.1
69.07064	1.7
71.12327	0.5
71.12675	0.5
79.05486	3.6
81.07053	3.0
87.99758	0.3
91.05481	8.2
93.07047	3.0
95.04962	0.7
95.08611	1.1
95.15691	0.3
97.02912	0.3
103.05474	1.9
105.07029	31.2
106.07347	0.6
107.08585	1.0
115.05459	2.8
117.07007	2.6
117.24119	0.3
118.04166	1.3
118.07776	0.3
119.04985	0.6
119.08576	18.3
121.06503	1.2
128.06224	5.7
131.04900	1.7
131.08569	2.5
132.05731	1.4
132.09332	0.4
133.06499	4.2
133.10127	12.5
141.07013	0.3
143.08572	6.7
145.06490	3.5
146.03607	0.3
146.07271	4.4
155.06053	0.4
159.08047	5.1
159.11700	0.6
161.06044	3.0
161.09615	100.0
161.13242	16.9
162.09984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.0
55.01879	0.4
55.05511	6.8
67.05487	0.6
67.23832	0.4
69.07055	2.7
69.77238	1.2
69.77655	1.2
79.05505	2.9
81.07056	1.1
85.59719	0.5
91.05485	8.3
91.90562	0.4
93.07049	1.9
103.05457	2.1
104.06258	0.7
105.07033	22.5
105.44260	0.4
107.08595	1.4
108.10135	0.5
115.05484	2.1
117.07037	3.3
118.04168	1.9
118.07849	0.4
119.08582	100.0
120.08955	1.3
121.10159	2.5
123.08105	0.5
129.06995	0.5
131.08578	1.8
133.06483	3.3
133.10133	18.9
143.08603	0.6
145.10139	0.6
146.03555	0.7
146.11002	1.0
159.11711	1.0
161.05981	4.0
161.09637	3.2
161.13260	22.3
165.63109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44295	0.2
69.39303	1.6
82.99837	3.5
92.72144	0.2
98.97568	0.2
101.00883	37.2
102.00944	1.4
103.00648	0.3
119.01922	100.0
120.02000	3.6
121.02393	0.4
124.02477	0.3
125.02578	0.5
137.02957	19.1
137.59726	0.2
138.03098	0.8
142.02547	0.2
142.03490	1.2
143.01950	0.3
143.03651	2.0
144.03244	0.2
160.04645	0.2
161.02971	5.6
161.04573	0.6
161.93652	0.2
177.72073	0.2
179.04004	4.6
179.05554	0.4
183.44934	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.76888	0.5
51.02380	0.9
53.03943	3.6
55.01656	0.4
55.01878	5.1
56.96555	1.2
57.48782	0.5
60.05379	0.4
66.04710	1.6
67.05500	0.6
69.37322	0.8
69.37729	3.0
72.28844	0.4
77.03931	1.2
77.87802	0.4
79.05494	18.6
79.05955	1.0
81.07026	0.5
81.47730	0.4
89.03918	1.0
90.04706	3.5
91.05479	5.2
92.02647	1.1
93.07064	0.8
95.04986	3.7
98.97588	0.7
101.95023	0.7
102.04676	0.7
103.05470	24.2
105.07030	100.0
106.07355	1.2
107.04963	1.4
115.05457	30.6
118.04160	21.4
119.01975	0.6
119.08588	3.7
121.06478	0.7
131.04936	5.0
131.08655	0.5
132.05727	1.1
133.06494	47.6
133.10095	2.6
143.06023	6.1
146.03624	2.5
161.05989	12.1
161.09593	2.1
161.13333	2.5
164.72299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Turicine
Peak:m/z	Relative Intensity
53.03951	1.2
55.01868	1.6
55.05513	24.2
56.05034	5.4
56.96553	2.6
57.03428	1.7
57.04552	0.8
58.02961	0.9
58.06594	0.8
59.04995	1.5
60.04515	1.2
60.08177	1.1
61.02925	1.0
67.05489	0.9
68.05020	5.2
69.03431	6.0
69.07070	27.5
69.07451	1.5
70.06233	1.2
70.06593	15.3
71.02979	1.0
71.04991	2.1
71.60115	0.9
72.04528	0.7
73.02920	2.8
74.02435	1.7
74.06076	5.5
78.52933	0.9
79.05500	1.0
81.03433	1.7
82.01433	0.8
82.06586	10.4
83.04964	1.6
84.04509	0.7
84.08169	1.5
85.02917	2.3
86.06072	5.6
86.09705	1.0
87.01958	0.6
87.04471	14.7
88.03989	0.8
88.07623	1.3
94.02677	0.8
95.52321	0.6
96.04504	1.0
96.08133	100.0
97.02893	3.6
97.06528	0.8
98.97584	2.3
100.02496	2.1
100.07612	9.9
100.60009	0.6
101.00887	6.1
101.06015	2.1
102.01568	1.0
102.02373	0.8
103.02418	1.8
104.07070	0.9
106.52429	0.9
110.01264	0.9
110.06066	1.9
111.02932	1.9
112.07593	0.7
114.03770	4.4
114.05528	13.9
114.09169	53.9
116.98585	1.0
118.03545	1.2
118.06566	1.0
119.01919	17.7
120.03441	0.7
121.03465	0.8
124.02423	0.9
124.03893	0.7
124.07610	2.3
131.01918	2.1
133.03484	3.1
137.02972	3.4
137.52432	1.3
139.04152	0.7
142.02333	0.9
142.03526	6.7
142.04704	0.8
142.04950	0.7
142.08633	32.9
143.01860	1.2
145.03484	3.3
147.01506	0.7
148.04796	0.8
151.04477	1.3
155.01973	0.8
157.03450	1.6
160.04471	2.5
160.06059	3.0
160.09692	52.6
160.10762	2.9
160.13316	2.8
161.02969	2.0
173.02901	0.9
175.04520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
50.76175	0.4
51.17192	0.5
51.71141	0.5
53.03938	0.7
54.79424	0.4
55.01873	1.2
55.05515	22.0
56.05031	7.4
56.96566	1.0
57.03439	0.9
57.04565	0.6
58.02955	0.8
59.04990	0.7
60.08154	0.9
67.05508	0.6
68.05037	3.3
69.03440	2.8
69.07070	32.1
70.06599	3.4
70.87099	0.5
71.04987	2.1
71.39809	1.0
72.04510	0.7
73.02936	1.0
74.02450	1.3
74.06071	2.1
78.52968	0.8
79.05495	1.2
81.03439	0.5
82.06582	4.8
84.04471	0.8
85.02908	1.1
85.67110	0.5
86.06073	3.4
86.09719	0.9
87.04473	8.7
94.06554	0.6
96.04501	0.8
96.08133	100.0
97.02898	1.7
97.06586	0.7
97.08469	1.4
97.30607	0.5
98.60312	0.5
98.97582	1.0
100.02502	1.4
100.07635	5.2
101.00878	2.2
101.06000	0.7
103.02438	0.7
105.07029	1.4
106.52479	0.5
110.06056	0.6
111.02979	0.7
112.07594	0.5
113.02383	0.7
114.03773	3.4
114.05537	6.7
114.09172	50.7
118.03471	0.6
118.06572	1.3
119.01923	7.3
124.07568	1.2
131.01895	0.9
133.03513	0.9
133.30750	0.5
137.02968	2.2
142.02238	0.9
142.03514	2.6
142.08643	26.2
143.01892	0.6
145.03445	1.1
157.03445	0.8
160.04459	1.6
160.06073	1.8
160.09698	39.5
160.10735	1.4
160.13306	1.2
161.02945	1.2
162.36583	0.6
175.04553	0.9
175.74533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.102
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03905	0.7
55.01837	2.0
55.05507	4.5
55.93488	3.2
56.04986	0.9
56.96533	2.4
57.03447	3.4
62.30340	0.9
65.03918	0.8
67.05515	5.4
68.05003	1.0
68.05801	1.0
69.03387	1.5
69.07068	11.4
69.25774	3.0
69.26198	4.4
70.06568	1.4
70.95863	51.8
71.04958	2.4
72.08131	1.8
72.93790	43.3
73.02898	1.2
73.93790	2.2
74.93822	4.4
79.05457	3.3
80.04988	1.5
81.05727	0.8
81.07018	2.9
82.02905	1.5
82.06570	6.4
83.04980	3.6
83.08593	1.7
85.06499	2.5
86.09652	3.1
88.96902	12.4
90.94346	0.9
90.94827	8.6
91.05453	2.8
93.07045	8.3
94.06525	1.3
95.04922	2.3
95.07308	2.9
95.08619	6.4
96.04498	13.6
96.05155	1.3
96.08125	9.8
96.40910	0.7
97.05271	16.9
97.06522	9.4
97.97596	0.8
98.06014	1.3
98.09695	27.1
100.07613	5.8
106.97966	1.0
108.08086	2.4
108.95818	1.5
109.06495	3.8
110.02387	1.6
110.06041	29.7
110.07150	1.6
110.09686	16.8
110.10404	0.8
111.04421	1.1
111.08085	6.9
111.98477	18.6
112.00975	1.0
112.08401	0.8
113.96423	4.6
114.05524	1.0
114.94810	1.3
114.96458	0.9
115.96452	1.8
120.08083	4.2
121.06530	3.6
123.06809	1.1
124.07566	2.5
125.08356	6.2
126.09151	31.6
128.03435	0.8
128.04271	2.2
128.06216	1.0
128.07062	1.1
128.10722	1.3
129.06958	0.9
129.99529	8.5
131.97412	2.0
132.95836	71.5
138.05463	1.8
138.09137	60.2
139.07559	1.2
139.11127	0.7
141.06938	1.1
150.96887	100.0
155.97408	7.4
156.06534	2.3
156.10205	46.6
156.13792	5.4
157.10297	0.8
164.98250	0.9
168.97948	2.2
173.98517	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	156.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01869	1.9
55.05513	5.8
55.93519	3.2
56.05023	2.5
56.96553	2.8
57.19979	0.9
58.06582	0.8
67.05508	5.2
69.03419	2.5
69.07068	10.3
69.07409	1.3
70.06580	1.6
70.95867	56.0
71.04996	1.9
71.61240	1.0
72.04506	1.3
72.14754	0.7
72.93790	44.2
73.93819	2.3
74.93838	4.1
79.05486	3.2
80.04996	1.9
81.05788	1.4
81.07057	5.2
82.02907	1.0
82.06573	9.4
82.07359	0.8
83.04971	1.3
83.08612	2.5
84.04495	1.4
84.08152	1.5
85.06528	1.0
88.96904	12.4
90.94815	9.7
91.05461	2.9
93.07052	8.6
95.04955	1.8
95.07349	2.0
95.08606	7.1
96.04492	11.2
96.05144	1.1
96.05322	0.8
96.08138	10.1
96.08797	1.1
97.02910	1.4
97.05271	15.8
97.06522	7.7
98.06078	1.4
98.09696	29.2
103.05499	1.1
108.08131	4.1
108.95861	1.2
109.05275	1.0
109.06546	4.4
109.58656	0.7
110.02409	2.6
110.06052	20.4
110.06838	1.1
110.07175	1.1
110.09689	14.1
110.10431	0.7
111.04411	0.9
111.08083	3.5
111.98483	20.0
113.01897	0.8
113.06103	0.8
113.96413	6.2
114.09196	0.8
114.94784	1.8
115.96444	3.3
120.08108	5.0
121.06477	3.9
123.06798	2.7
125.08385	7.9
126.09160	43.4
128.04242	4.2
128.07098	1.5
128.10745	2.1
129.99522	9.3
131.97415	1.2
132.95837	71.3
133.06850	1.3
133.97447	0.9
138.05481	2.1
138.09137	71.5
139.07573	0.9
141.07002	1.4
145.96562	0.8
150.96893	100.0
153.01181	0.9
155.97435	6.6
156.03761	0.9
156.06563	2.3
156.10211	44.4
156.13809	5.5
157.10086	0.9
168.97957	2.2
173.98495	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	155.1065
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
50.65039	0.7
53.03946	2.4
55.01871	18.6
55.05512	10.1
55.93511	1.4
56.96556	2.4
57.03447	3.5
57.07065	3.4
65.03940	3.1
66.74642	0.6
67.05505	47.2
69.03430	5.9
69.07060	5.8
70.71693	0.7
70.95866	5.4
71.01343	1.2
71.04992	30.8
71.08653	0.9
71.61301	1.1
72.93789	100.0
73.02913	1.3
79.05492	7.5
81.03423	3.0
81.07058	23.9
83.04987	6.6
83.08626	1.1
85.02931	1.3
85.06539	5.7
86.95336	0.8
87.04463	2.5
88.96920	1.8
90.94828	24.9
91.05482	14.8
93.07046	12.7
95.04968	13.6
95.08604	37.0
96.08954	0.9
97.06536	3.3
98.09689	2.0
98.98473	2.6
99.04440	6.2
99.08090	2.0
101.00906	0.8
107.08597	2.1
108.95892	2.7
109.02904	2.3
109.06527	7.8
109.10155	28.6
111.04440	5.9
111.08080	64.2
111.98505	1.4
112.01607	0.9
113.05990	6.3
113.09718	1.0
113.96400	57.0
117.07048	1.1
119.01929	0.9
119.08598	7.6
123.04448	4.1
127.03946	4.2
127.07550	6.1
129.99544	1.5
131.01877	2.1
131.96074	1.3
131.96362	1.4
131.97438	32.0
132.95834	8.5
137.02321	1.0
137.05974	2.1
137.09613	32.3
137.13213	1.1
139.98376	0.8
140.04736	1.9
149.97249	1.9
150.96893	11.2
150.98029	0.9
153.06970	0.8
154.90793	2.0
154.99048	1.8
155.02203	0.9
155.03400	3.9
155.05902	1.4
155.07060	12.6
155.08524	2.7
155.10664	9.4
155.97444	1.1
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	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
50.70011	0.9
51.02385	1.4
51.36009	1.0
53.03950	11.4
55.01869	7.9
55.05257	1.9
55.05512	31.1
56.96558	2.4
57.03444	6.0
57.07067	4.7
58.06569	1.0
59.05003	5.8
65.03941	5.8
67.05503	100.0
69.03424	4.2
69.06771	1.0
69.07068	13.8
69.81961	5.7
70.95860	8.9
71.01353	17.1
71.04993	77.4
71.77811	1.0
72.93788	91.9
73.02902	1.5
77.03944	1.1
79.05493	10.3
81.03407	4.1
81.07055	53.5
83.04973	11.8
83.08614	2.0
85.02882	1.5
85.06547	6.3
90.94826	20.7
91.05467	4.7
93.07050	11.2
95.04352	2.2
95.04968	64.4
95.08605	70.6
97.02878	2.0
97.06539	5.1
98.09686	1.8
98.98428	1.3
99.04453	55.7
99.08126	5.4
101.06000	2.4
105.04505	3.9
107.08584	3.9
108.95834	1.7
109.02887	1.6
109.06522	8.6
109.10152	98.0
111.04426	6.9
111.08088	10.5
111.98468	2.9
113.06001	11.7
113.09660	1.9
113.96400	51.8
119.01970	1.1
119.08564	3.9
119.97266	1.5
123.04432	23.6
125.02354	9.9
127.03895	3.7
127.07534	4.3
131.01901	2.4
131.96133	1.9
131.96292	2.0
131.97440	24.1
132.95850	12.4
137.05971	2.3
137.09601	15.0
140.04688	27.3
149.97215	2.3
150.96886	13.1
154.99036	1.2
155.03397	2.6
155.07051	14.3
155.08331	1.4
155.10655	12.1
155.14342	1.3
173.98343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.01857	6.7
55.05260	3.5
55.05509	52.2
55.93505	6.1
56.05832	3.3
56.96562	98.9
57.03431	10.2
58.99855	2.4
59.04993	4.5
61.02907	6.5
65.03937	12.6
67.01871	1.8
67.05507	20.5
68.99789	2.0
69.03429	28.9
69.74979	3.7
69.75397	7.2
69.96175	16.3
70.06584	2.4
70.95506	3.2
70.95863	48.5
71.01351	4.4
71.04983	5.4
71.35365	1.8
71.94093	5.9
71.95268	3.6
72.93787	100.0
73.02916	12.5
73.06154	2.7
73.06551	38.6
74.06853	2.4
79.05480	8.2
81.03413	18.8
81.07056	23.1
82.06568	2.7
83.01340	2.4
83.02583	5.5
83.04985	19.6
84.08148	2.1
84.96020	3.6
85.02900	23.2
85.04005	2.0
85.06523	4.7
85.07652	3.7
86.03125	1.6
87.04456	3.6
88.96893	12.5
89.00768	2.5
90.01574	2.7
90.94824	21.0
91.05450	5.2
92.03092	4.4
93.03404	4.8
93.07001	2.8
95.04971	17.9
95.08578	5.7
97.02876	25.8
98.09683	4.2
98.96933	4.5
98.97570	86.2
98.98448	17.7
99.04440	7.8
100.02471	4.1
101.00858	15.4
102.03344	4.9
103.02398	2.8
104.01208	2.2
104.03094	2.1
105.00319	2.3
106.02792	1.8
109.02888	17.2
109.06521	20.0
109.10141	5.2
110.01294	3.9
110.03106	2.4
110.06055	4.2
110.97568	7.6
111.04462	27.2
111.08075	2.4
111.98474	19.5
112.00935	2.1
112.01610	4.1
113.00867	16.4
113.02304	3.0
113.06048	9.8
113.95130	3.9
113.96398	37.0
116.03130	3.1
116.96274	1.9
116.98627	35.9
117.03869	3.9
118.03545	3.0
118.92064	10.2
119.01881	31.7
119.03661	2.2
119.08562	2.0
121.01571	4.3
122.99932	2.3
123.04451	11.0
125.03564	2.0
127.03922	30.6
127.07539	7.4
128.02310	5.6
128.97800	2.4
128.98615	9.0
129.02238	7.9
129.99515	4.8
131.01901	53.9
131.96132	49.9
131.97411	21.7
132.02000	6.3
132.05063	3.1
132.95837	58.4
133.03429	3.2
134.99612	5.6
135.04726	2.2
136.93127	27.1
137.02267	10.1
137.05981	7.1
138.05508	2.5
139.04182	5.1
140.04631	6.9
143.01921	5.2
143.05482	3.0
144.05249	5.2
146.04147	4.5
146.99622	3.5
147.03281	26.1
149.02956	6.9
149.96294	1.9
149.97192	50.5
150.96883	76.9
154.90744	12.5
154.94154	40.4
154.97749	2.4
155.00153	3.4
155.01900	9.1
155.03380	15.0
155.04631	54.9
155.07016	32.3
155.09004	2.8
155.10614	3.5
155.11761	5.5
155.54805	6.7
155.97398	5.9
157.03531	2.3
158.99652	37.9
161.01320	2.4
161.02931	5.9
161.06583	2.5
162.99193	2.5
164.05179	11.2
165.04343	16.7
167.98259	2.4
168.97917	3.7
172.95229	53.6
173.01221	3.6
173.02942	9.0
173.98479	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.01883	4.4
55.05519	15.5
55.50881	2.8
56.96570	7.1
57.07070	10.1
59.04995	9.2
65.03941	28.6
67.05508	17.4
69.03421	3.7
69.07069	19.7
70.93772	4.2
70.94151	5.6
71.04996	30.1
73.06551	16.4
79.05501	35.6
81.07063	100.0
83.04981	11.1
83.08585	3.7
84.94247	3.3
89.77541	2.8
91.05483	14.4
93.03405	25.1
93.07050	57.5
95.04953	29.2
95.08597	25.7
97.06528	26.7
105.07030	4.1
107.08604	67.1
109.06517	12.9
109.10156	25.6
109.97385	3.0
110.03670	5.0
111.04448	33.8
111.08069	15.6
111.96872	5.0
123.07909	2.7
125.06011	17.5
129.97960	4.9
135.04492	3.0
135.08089	7.0
135.11697	36.5
147.13850	2.8
153.05452	14.5
153.09091	10.5
153.12755	26.7
154.15900	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	4.4
53.65780	0.9
55.01871	3.5
55.05511	16.5
56.96556	1.6
57.03441	5.1
57.07073	4.0
58.59057	1.0
59.05005	11.7
65.03939	9.3
67.05159	1.5
67.05508	18.5
68.99796	4.3
69.03411	1.9
69.07078	14.6
69.89069	1.0
70.94257	3.3
70.94771	1.6
70.95113	2.3
71.04996	32.9
73.06555	20.8
77.27650	1.1
78.82028	0.9
79.05492	35.2
81.03407	1.1
81.07059	100.0
82.07410	1.1
83.04976	4.8
83.08613	2.3
85.06562	1.5
91.05485	14.6
93.03410	5.7
93.07047	53.3
95.04974	56.9
95.08610	18.1
97.06532	15.8
105.07034	4.5
107.04971	2.1
107.08600	54.0
109.06524	23.3
109.10160	14.5
110.03658	1.4
111.04440	8.0
111.08090	12.0
111.96836	2.3
119.06123	1.4
119.08590	1.9
121.06499	3.9
123.08067	1.3
125.05992	5.6
125.09634	3.1
125.14301	1.1
135.08047	5.9
135.11702	28.5
138.06816	1.4
139.03902	2.0
141.05481	4.3
142.52727	1.1
153.05481	18.2
153.09119	7.9
153.12743	21.6
156.13953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01864	1.9
55.05506	1.1
55.93520	1.2
56.05012	0.9
56.96571	4.2
57.03428	3.4
58.99862	3.5
65.03932	1.7
65.55882	0.8
67.05496	2.1
69.03422	3.2
69.11879	0.7
70.06581	1.6
70.95848	0.9
70.99864	2.4
71.04994	1.9
71.15015	1.8
72.93790	7.8
73.02921	6.3
77.00903	1.8
78.52925	0.9
79.02221	0.7
81.03414	3.1
81.07043	1.4
82.01454	9.6
82.99841	1.8
83.00802	0.9
83.04980	1.7
85.01418	1.2
85.02898	2.5
85.04010	1.6
86.06037	1.5
88.02666	1.8
89.00842	2.2
90.94807	1.5
93.01885	1.7
94.99829	1.3
95.03443	1.3
95.04965	5.1
97.02216	1.0
97.02853	1.5
98.97580	2.1
98.98463	1.9
99.04451	1.2
100.02488	27.7
101.00887	22.9
101.01556	1.1
101.02549	0.9
102.00928	0.9
102.02404	2.3
103.00658	0.9
103.02440	2.3
104.90900	0.8
109.02893	2.4
109.06506	1.1
110.07163	1.0
110.54093	0.8
111.02921	2.5
111.04444	2.2
113.00079	1.7
113.00873	30.2
113.06004	1.2
113.53189	1.7
113.96412	4.1
114.00967	3.3
114.04048	2.7
115.02454	2.0
118.01111	1.5
118.02743	1.4
118.03525	11.5
119.01922	58.7
120.02023	1.9
121.01640	1.2
122.53716	2.2
123.04458	2.1
124.02441	3.6
125.02380	1.0
127.02406	1.3
127.03948	2.1
127.07581	1.4
128.98672	1.1
131.01909	100.0
131.96172	2.3
131.97411	2.2
132.01956	10.0
132.05067	4.7
132.95819	1.0
133.01627	1.1
133.03477	6.4
136.93140	1.5
137.02997	7.0
138.09128	1.6
140.04674	1.4
141.02762	0.9
142.03508	15.4
144.03300	1.3
145.03447	4.6
147.05028	2.6
149.02972	14.7
149.97205	1.9
150.03075	1.2
150.06128	2.0
150.96875	1.3
151.04514	1.8
154.03496	2.7
154.94183	1.3
155.01898	11.9
155.03467	3.1
155.07007	2.6
155.11778	2.4
156.10193	0.8
160.04578	1.5
172.95253	2.8
173.02951	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.62625	0.7
53.00311	1.8
53.03940	4.5
55.05257	1.0
55.05516	16.0
56.96565	1.3
57.03453	1.2
57.07077	2.1
59.05003	7.8
64.21547	0.7
65.03943	5.8
67.05507	7.8
69.03445	1.4
69.07072	12.5
70.61943	2.8
70.94261	1.5
71.04995	34.5
72.97784	0.8
73.06561	23.1
77.03912	1.4
79.05498	28.4
81.07060	100.0
82.07413	1.1
83.04987	3.5
83.08622	3.0
85.06573	1.7
88.37321	0.7
91.05483	8.9
93.03420	2.4
93.07047	45.1
95.04974	5.0
95.08611	9.5
97.06538	10.0
98.21514	0.8
105.04532	1.1
105.07062	3.3
107.08601	39.3
109.06527	2.0
109.10165	9.1
110.03604	0.7
111.04461	6.0
111.08086	6.6
119.08589	2.6
121.06557	1.3
125.06004	2.8
125.09680	1.0
126.81116	0.8
135.08136	1.1
135.11697	24.0
135.12683	1.7
138.93512	0.7
139.18872	0.8
153.01848	0.9
153.05496	3.8
153.09105	2.8
153.12750	13.6
174.59294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.96089	1.9
53.03957	3.8
55.05508	16.5
57.03427	2.5
57.07069	3.1
59.04995	6.4
63.18111	1.8
65.03923	8.0
67.05505	10.7
69.07069	12.4
70.92392	3.4
70.92725	3.7
70.94260	3.6
71.04648	2.6
71.04996	36.6
73.06564	21.5
77.85300	2.4
79.05492	29.9
81.07055	100.0
91.05466	13.2
93.03403	6.4
93.07049	52.2
95.04967	12.7
95.08624	10.9
97.06541	13.7
107.08601	46.3
109.06514	7.3
109.10143	13.5
111.04427	8.8
111.08081	10.4
111.96864	2.5
120.09376	2.7
125.06001	6.6
127.82268	2.3
135.08041	3.9
135.11687	27.1
150.41109	2.4
153.05502	5.7
153.12743	14.0
154.15903	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	2.4
53.03937	4.1
55.05282	1.6
55.05513	14.4
57.03434	2.1
59.05009	9.7
65.03931	3.3
67.05520	6.4
69.07063	13.4
70.94259	1.5
71.04993	33.1
71.45742	2.1
73.06555	19.8
79.05493	28.3
81.07059	100.0
83.08611	2.6
83.13478	1.3
85.06577	1.9
91.05473	10.2
93.03403	2.2
93.06458	2.5
93.07047	40.6
94.78633	1.3
95.04954	3.2
95.08608	9.8
97.06519	7.7
105.07026	3.3
107.08595	34.7
109.10193	8.8
111.04465	2.4
111.08074	4.1
119.08569	1.9
125.05995	2.1
135.11699	25.4
144.78693	1.3
153.12737	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	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	2.2
55.05257	0.9
55.05511	12.2
56.96562	4.5
57.03422	5.0
57.07056	2.7
59.04985	1.0
65.03941	7.3
67.05502	30.2
69.03417	3.2
69.07066	51.8
69.34538	4.7
69.34959	2.8
70.94251	8.6
70.95867	4.1
71.04984	3.3
71.94099	1.3
71.95255	8.8
79.05049	1.6
79.05492	26.2
81.07053	37.3
83.04967	6.9
83.08620	7.3
85.02897	0.9
85.06541	1.8
88.95282	3.0
91.05473	6.4
93.03397	2.9
93.07043	44.7
95.04957	3.4
95.08601	19.5
95.09206	0.6
97.02920	1.5
97.06528	20.9
98.01324	1.0
98.97573	1.2
105.07018	1.8
107.04968	1.2
107.08591	51.3
109.06507	1.8
109.10155	33.3
110.03664	1.5
111.04483	9.3
111.08079	8.9
111.11720	1.4
111.96862	3.8
111.98451	0.9
119.36365	0.8
124.78661	1.0
125.06000	5.1
125.09625	0.8
126.06313	2.5
129.53224	1.1
129.97897	3.5
130.53644	0.8
133.10123	1.2
135.08081	2.3
135.11688	100.0
138.05080	1.1
153.01878	1.1
153.05519	5.9
153.07405	3.5
153.09230	5.1
153.12741	87.1
154.04976	1.3
154.13052	0.9
155.75360	0.8
157.23796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.01423	1.6
53.00320	1.9
53.03934	2.9
55.05516	14.0
57.03427	1.6
57.07068	1.7
59.05000	8.4
65.03934	2.9
67.05511	8.4
69.03433	1.6
69.07068	10.1
70.02585	5.3
70.02998	2.5
71.04639	2.2
71.04998	34.6
73.06553	18.5
79.05499	26.9
81.07059	100.0
82.07377	1.5
83.04954	2.0
91.05474	5.4
92.71722	1.3
93.03414	2.3
93.07048	36.3
95.04948	5.3
95.08603	6.1
97.06532	7.9
105.07037	1.9
107.07867	1.9
107.08592	34.6
109.06512	1.4
109.10162	7.0
111.04434	3.0
111.08083	6.0
135.11694	23.1
139.29953	1.5
153.05424	2.1
153.09076	1.4
153.12746	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	2.9
55.05511	16.7
57.07061	1.8
58.40674	1.3
59.05005	8.6
65.03918	1.6
67.05482	5.3
69.07081	9.9
69.41476	7.4
69.41887	4.0
71.04993	39.1
73.06555	25.2
79.05492	31.4
81.07057	100.0
91.05499	7.1
93.07049	39.1
95.04921	1.7
95.08607	8.0
97.06521	6.3
98.21516	2.9
105.07035	2.4
107.08591	37.5
108.84879	1.5
109.10143	5.4
110.03651	2.0
111.04337	1.4
111.08061	6.5
119.08588	2.9
125.05914	2.4
133.85953	1.6
135.11693	21.8
153.12732	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	1.5
53.03933	2.2
55.05517	16.0
57.03430	1.9
57.07068	2.3
59.05001	7.5
59.17941	1.6
59.62244	1.3
65.03931	2.7
67.05499	10.2
69.07074	10.3
70.72791	4.0
71.04640	2.3
71.04996	35.2
73.06563	25.5
79.05494	26.7
79.92682	1.3
81.07059	100.0
83.04961	3.3
91.05482	11.3
93.03403	2.8
93.07045	44.3
95.04944	2.9
95.08595	10.4
97.06537	8.9
105.07033	2.5
107.08599	43.1
109.06551	2.1
109.10172	8.2
109.10793	1.5
111.04431	2.3
111.08089	6.1
119.08610	1.5
125.05985	1.5
125.09663	1.3
135.08075	1.6
135.11707	24.1
140.91776	1.3
153.05499	1.8
153.12767	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.55298	2.4
53.03927	3.0
55.05510	16.7
57.07073	29.6
59.05008	12.2
59.66050	2.3
65.03938	5.7
67.05504	13.0
69.07070	15.5
70.63853	2.5
70.64189	7.1
70.94245	2.6
71.04630	3.9
71.04988	42.7
73.06557	21.0
79.05495	33.9
81.07061	100.0
83.04982	5.1
83.08579	2.6
91.05480	12.7
93.03407	5.8
93.07049	49.9
95.04955	14.6
95.08605	17.8
97.06531	51.7
107.08601	50.6
108.35675	2.3
109.06557	4.1
109.10146	23.9
111.04433	7.2
111.08102	13.2
119.08574	4.7
125.06021	3.2
125.09612	4.8
135.02000	2.5
135.11707	36.1
153.09085	2.5
153.12730	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03953	4.6
55.01854	3.8
55.05513	21.5
56.96554	3.7
57.08208	2.4
58.72034	2.2
59.04995	7.0
61.96502	2.3
65.03933	12.5
67.05519	21.1
68.99777	6.6
69.03419	3.2
69.07069	20.8
69.50938	13.5
69.51366	8.0
70.94256	7.1
71.04996	37.9
73.06555	29.6
79.05498	38.1
81.07059	100.0
83.04971	7.1
91.05467	22.7
93.03394	7.7
93.07047	79.4
95.04976	29.8
95.08595	14.5
97.06525	16.3
98.21482	5.3
105.04520	2.3
105.07030	5.7
107.04987	3.2
107.08598	71.0
109.06519	3.6
109.10160	16.6
110.03669	4.7
111.04424	12.1
111.08057	9.6
111.96847	4.5
121.06501	3.5
123.04434	3.4
125.05961	5.4
125.09628	3.3
135.08060	9.7
135.11707	37.1
136.12115	2.5
141.05444	4.1
144.28596	2.4
153.01837	2.7
153.05475	18.7
153.09094	10.3
153.10182	2.4
153.12708	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	153.0547
Annotation	4-Methylsalicylate
Peak:m/z	Relative Intensity
53.03935	9.9
55.01858	10.2
55.05515	19.9
56.96568	19.4
57.03438	7.5
59.05021	7.0
65.03945	68.1
67.05511	24.6
67.87978	3.4
69.03419	7.2
69.07073	24.7
69.90688	2.9
70.94275	21.5
70.95845	7.3
71.04993	23.8
71.11340	6.5
71.94073	3.5
73.06536	13.8
73.85606	3.5
79.05061	4.1
79.05497	54.1
81.03394	4.9
81.06577	4.2
81.07059	76.8
83.04981	21.2
83.08626	3.8
87.46486	3.1
88.95294	7.5
91.05483	26.1
93.03411	45.9
93.07043	63.9
95.04966	46.3
95.08586	12.6
97.06519	31.5
99.33866	3.2
105.07030	6.7
107.04956	74.5
107.08597	66.3
108.08119	3.5
109.06536	18.7
109.10150	18.8
110.03648	13.3
111.04449	89.2
111.08083	21.4
111.96857	14.0
117.06994	3.6
121.06431	3.8
125.05148	5.2
125.06006	58.4
125.09626	12.9
126.05530	7.3
129.97862	9.0
135.04440	15.6
135.08093	21.8
135.11699	27.5
138.03145	5.3
138.06750	4.3
148.97346	7.6
153.01891	4.0
153.04297	5.4
153.05476	100.0
153.09128	27.6
153.10201	5.5
153.12772	22.7
154.04993	7.2
154.08681	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01857	1.3
55.05262	0.4
55.05511	6.1
56.96561	1.6
57.03431	0.9
59.04990	1.4
62.25895	0.4
65.03942	7.8
67.05166	0.5
67.05506	9.0
67.05865	0.7
69.03428	1.7
69.07073	4.3
69.74557	2.2
70.94260	1.9
70.95855	1.0
71.01348	1.7
71.04993	5.8
73.06557	3.6
79.05048	0.8
79.05492	11.9
81.03426	0.5
81.07058	20.4
82.06671	0.4
82.07413	0.4
83.04985	3.3
83.08618	1.7
85.02930	0.5
85.06541	0.7
91.05479	5.2
93.03398	3.9
93.07043	12.4
95.04968	100.0
95.08609	2.5
96.05308	1.4
97.02884	1.0
97.06541	3.3
105.07034	2.0
107.04964	2.2
107.08588	14.6
109.06520	3.8
109.10152	3.0
110.03657	1.6
110.97450	0.4
111.04443	8.6
111.08072	7.6
111.96861	1.4
117.07034	0.5
119.06056	0.5
119.08633	0.4
121.06453	0.4
125.05987	4.1
125.09650	2.0
129.97900	0.6
135.04427	1.0
135.08061	5.3
135.11700	5.9
138.03142	0.9
153.01852	0.6
153.05501	4.1
153.06618	0.7
153.09099	6.3
153.10248	0.8
153.12764	3.9
154.08536	0.4
164.52563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
53.03944	1.8
53.47102	0.5
55.01869	1.1
55.05497	1.4
56.96565	26.2
57.03437	4.5
57.07058	1.9
61.02924	2.2
65.03943	2.5
66.79348	0.6
67.05158	0.5
67.05499	3.1
68.05018	1.0
68.91922	0.5
69.03432	3.1
70.71400	0.6
70.98094	0.6
71.01353	0.7
71.04985	1.3
71.60899	0.9
71.95250	1.8
73.02915	2.7
74.00262	0.6
74.03237	0.9
74.97603	0.7
77.00834	1.1
77.03912	0.8
79.05499	7.7
80.05009	1.9
81.01016	0.8
81.03412	3.0
81.05789	3.2
81.07054	1.4
82.06574	1.3
83.00800	0.7
83.04967	1.0
84.96037	1.4
85.02912	4.1
86.06074	4.1
87.03721	0.6
87.04471	1.5
89.00768	2.0
90.01546	1.3
92.32462	0.7
93.03400	0.7
94.06557	2.5
95.04971	2.7
96.01574	1.1
96.04475	1.2
96.05302	0.9
96.08138	5.0
97.02883	5.9
98.01312	3.1
98.03197	0.8
98.97586	17.3
98.98320	1.0
98.98470	0.9
99.04461	1.1
99.97952	1.1
100.02448	0.9
101.00812	1.8
101.02468	0.7
101.50888	0.8
102.02360	0.7
103.00581	0.6
103.02452	2.7
104.01303	1.0
105.02106	1.1
106.06560	5.7
107.01790	1.2
107.03541	0.7
107.04951	2.6
108.04449	1.4
108.08101	1.1
109.02867	1.1
109.05142	2.4
110.01291	2.1
110.02182	0.6
110.03521	12.3
110.51408	1.0
110.97578	13.5
111.02074	1.3
111.02805	0.8
111.04450	2.3
115.02407	0.8
116.98638	9.0
117.04002	1.4
118.00973	0.9
119.00189	1.1
119.01841	6.3
119.03674	1.0
119.52000	2.5
123.04436	0.6
123.06803	1.5
124.03942	1.9
124.07596	10.9
125.05984	0.9
127.03916	0.7
128.02322	2.1
128.04562	5.2
128.52499	2.7
128.98611	20.1
129.00218	1.0
129.03123	1.1
129.03987	2.7
131.01909	1.3
133.03471	0.7
134.06013	100.0
134.99678	3.4
135.03017	17.7
136.01399	0.7
137.02898	0.7
137.04700	0.6
140.04982	0.7
143.01904	1.1
146.99648	12.6
147.01379	5.0
147.03217	1.3
147.05028	5.2
148.05199	0.9
150.05498	0.6
152.01660	2.5
152.05675	98.9
152.07028	23.9
152.10608	3.3
153.04080	33.1
153.05292	0.8
153.05949	0.8
154.94046	0.6
158.99687	1.9
161.01393	0.7
161.02911	1.2
161.06583	2.4
162.99153	0.7
165.00697	1.0
165.06068	1.4
170.03035	1.1
171.05093	0.7
173.03058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03942	3.9
55.01865	3.6
55.05508	12.0
56.96571	11.0
57.03420	4.0
57.07073	6.1
58.34669	0.9
59.04999	1.4
61.02919	1.6
64.81547	1.0
65.03927	4.3
66.22467	1.0
67.05505	36.3
68.00264	1.1
68.95275	1.4
69.03441	6.7
69.07069	7.2
69.65667	5.0
71.04995	1.5
71.08614	1.5
73.02905	2.9
79.05494	13.6
80.06304	1.1
81.03418	4.1
81.07061	48.5
83.00782	1.0
83.04958	2.4
83.08604	1.0
85.02913	2.2
89.00767	2.8
91.05488	22.0
93.07051	18.8
95.00775	1.3
95.04977	13.4
95.08610	49.2
96.01572	1.4
97.06527	2.2
98.01287	1.5
98.20698	1.2
98.97595	9.5
101.00803	1.2
101.68127	1.1
103.05450	1.5
104.01315	1.3
105.07037	27.0
106.07375	1.3
107.01803	1.3
107.04971	2.4
107.08595	15.7
107.47614	1.8
108.02100	2.6
108.05737	2.9
109.06518	23.2
109.10163	35.4
110.01311	4.1
110.97610	1.4
116.98598	3.2
119.01813	8.5
119.04962	4.7
120.72813	1.2
121.06496	3.3
121.10132	3.1
121.52078	1.0
123.04412	5.0
123.08075	17.1
123.11716	16.2
126.02660	1.0
128.02318	5.3
128.98610	2.1
130.52608	1.1
131.08582	1.6
133.06474	1.8
133.10123	14.6
136.05185	2.6
136.08844	6.5
138.95274	0.9
141.05418	2.1
146.99677	1.3
151.02794	1.3
151.03911	14.2
151.05032	3.7
151.07547	26.4
151.11188	100.0
151.14807	6.4
152.11557	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	152.0569
Annotation	guanine
Peak:m/z	Relative Intensity
53.03932	1.0
55.01867	0.7
55.02988	0.7
55.05518	0.6
56.96567	10.2
57.03436	2.6
58.03749	0.4
59.05004	0.4
61.02924	0.8
65.03951	1.1
67.05502	0.4
68.05056	0.5
69.03442	2.1
70.36199	0.8
70.36584	0.9
71.05001	0.8
71.95268	1.1
73.02916	1.6
77.00799	0.5
78.03371	0.4
79.05495	4.0
80.05027	1.1
81.03419	1.8
81.05800	1.6
81.07057	0.7
82.06612	0.7
83.04983	0.7
84.96064	1.0
85.01407	1.1
85.02898	2.6
86.06079	0.7
90.01560	0.6
93.03411	0.6
94.06577	1.2
95.04976	1.2
96.01557	0.4
96.08154	2.2
97.02871	3.3
97.99106	0.4
98.01332	0.4
98.97588	3.8
99.04425	0.5
100.02532	0.8
101.00866	1.6
102.02404	0.4
102.04234	0.5
102.94029	0.4
103.02431	1.7
106.06587	3.6
107.04964	1.1
108.04425	0.7
108.08070	0.4
109.02909	0.7
109.05136	2.5
110.01305	1.0
110.03532	13.0
110.51453	0.4
110.97580	8.6
111.02074	0.5
111.04464	0.9
115.02427	1.1
116.98626	1.2
117.03987	1.2
118.36233	0.4
119.00170	0.5
119.01885	2.5
119.51960	0.8
121.01665	0.7
121.03506	0.6
123.06808	1.5
124.03953	0.9
124.07586	5.8
125.06011	0.8
128.02327	1.0
128.04562	4.5
128.52486	0.6
128.98619	10.7
129.00310	0.4
129.03996	1.6
131.00192	0.5
131.01921	1.1
133.03488	1.2
134.06020	46.7
135.03027	21.2
135.05136	1.0
135.06377	0.6
140.05026	0.8
143.01881	0.5
146.99658	5.3
147.01416	2.6
147.03236	0.6
147.05042	2.4
148.05135	0.4
150.03665	0.5
152.01688	1.2
152.05695	100.0
152.07022	12.3
152.10709	1.1
153.04085	31.1
161.02945	0.6
161.06583	2.2
164.60724	0.4
165.00687	0.5
170.03030	0.8
172.95212	0.6
173.03032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.01619	0.5
53.03930	1.5
55.01861	1.6
55.05502	3.2
56.96553	3.1
57.03420	1.7
57.07058	1.6
57.88002	0.5
59.04980	1.9
61.02927	0.6
62.55376	0.6
65.03923	2.2
65.66975	0.5
67.05503	11.0
68.95288	0.5
69.03429	2.9
69.07060	3.6
70.07407	0.6
70.88862	0.5
70.89195	1.4
71.04977	0.6
73.02925	1.0
79.05490	6.4
81.03406	2.0
81.07054	23.5
83.04967	1.5
85.02888	1.0
85.93061	0.5
90.56433	0.5
91.05476	10.5
93.06470	0.6
93.07041	9.3
95.04967	8.5
95.08601	8.7
97.06512	0.9
98.01296	0.7
98.97569	2.2
101.00713	0.5
103.05433	0.6
105.07027	17.3
107.04912	1.1
107.08589	9.0
108.05734	1.7
109.06515	19.3
109.10144	12.5
110.01284	1.3
110.97541	0.7
116.98655	0.7
119.01765	2.7
119.04898	1.4
121.06499	1.9
121.10179	3.2
123.04413	1.6
123.08073	7.7
123.11723	6.8
128.02312	1.5
128.98579	0.7
131.08563	0.6
133.06499	1.0
133.10123	6.6
135.08044	0.8
136.08841	2.8
151.02895	0.9
151.03954	5.4
151.05003	0.8
151.07605	5.8
151.11176	100.0
152.01707	0.6
152.11552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02375	1.0
53.03942	3.9
55.01865	3.6
55.05508	12.0
56.96571	11.0
57.03420	4.0
57.07073	6.1
58.34669	0.9
59.04999	1.4
61.02919	1.6
64.81547	1.0
65.03927	4.3
66.22467	1.0
67.05505	36.3
68.00264	1.1
68.95275	1.4
69.03441	6.7
69.07069	7.2
69.65667	5.0
71.04995	1.5
71.08614	1.5
73.02905	2.9
79.05494	13.6
80.06304	1.1
81.03418	4.1
81.07061	48.5
83.00782	1.0
83.04958	2.4
83.08604	1.0
85.02913	2.2
89.00767	2.8
91.05488	22.0
93.07051	18.8
95.00775	1.3
95.04977	13.4
95.08610	49.2
96.01572	1.4
97.06527	2.2
98.01287	1.5
98.20698	1.2
98.97595	9.5
101.00803	1.2
101.68127	1.1
103.05450	1.5
104.01315	1.3
105.07037	27.0
106.07375	1.3
107.01803	1.3
107.04971	2.4
107.08595	15.7
107.47614	1.8
108.02100	2.6
108.05737	2.9
109.06518	23.2
109.10163	35.4
110.01311	4.1
110.97610	1.4
116.98598	3.2
119.01813	8.5
119.04962	4.7
120.72813	1.2
121.06496	3.3
121.10132	3.1
121.52078	1.0
123.04412	5.0
123.08075	17.1
123.11716	16.2
126.02660	1.0
128.02318	5.3
128.98610	2.1
130.52608	1.1
131.08582	1.6
133.06474	1.8
133.10123	14.6
136.05185	2.6
136.08844	6.5
138.95274	0.9
141.05418	2.1
146.99677	1.3
151.02794	1.3
151.03911	14.2
151.05032	3.7
151.07547	26.4
151.11188	100.0
151.14807	6.4
152.11557	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	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
52.77189	0.3
53.03955	1.5
55.01871	0.7
55.05513	3.1
56.96562	1.2
57.03436	0.9
57.07077	5.9
59.04999	0.9
65.03935	1.3
67.05505	17.1
68.45339	0.3
69.03413	1.2
69.07056	2.6
71.04971	0.3
71.14527	0.6
73.02937	0.4
79.05495	11.7
79.05955	0.7
81.03406	0.4
81.07057	100.0
82.07391	0.8
85.02905	0.4
91.05488	4.9
93.07040	4.6
95.04976	2.8
95.08609	19.4
98.01418	0.4
98.97591	1.6
105.03405	2.5
105.07033	6.3
107.04980	0.8
107.08604	3.4
107.47658	0.4
108.05710	0.4
108.09369	0.4
109.06539	3.1
109.10149	3.6
110.01334	0.4
115.41238	0.3
116.98646	0.6
119.01832	0.8
119.04942	1.2
121.06474	0.5
121.10124	2.0
123.04420	0.9
123.08064	2.4
123.11711	35.2
128.02330	1.0
128.98624	0.4
133.06493	1.1
133.10112	2.8
136.05194	0.4
149.74385	0.4
151.02763	0.4
151.03915	2.9
151.04979	0.6
151.07556	5.7
151.11186	11.3
154.62970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
54.12215	1.6
55.01864	7.2
55.05488	2.7
56.96569	96.7
57.03437	19.2
57.07057	3.5
61.02931	10.4
65.03931	5.5
66.00499	1.8
67.04571	1.5
67.05510	18.6
68.00250	4.5
69.03434	14.9
70.06651	2.7
70.07019	6.6
71.01344	2.9
71.95255	1.8
73.02923	26.0
73.67634	1.3
74.00251	5.3
74.03226	1.5
74.97599	6.8
75.01036	3.4
77.00780	4.7
78.00538	1.7
79.05509	8.9
81.01028	5.4
81.03420	11.0
81.07059	9.1
83.00803	9.7
83.01197	1.7
83.04961	2.7
84.01601	1.6
84.96023	6.2
85.02906	20.8
85.06532	1.8
86.00235	1.7
86.03705	2.3
86.51823	2.2
87.01015	5.2
87.04467	4.3
87.99986	2.0
89.00782	13.2
89.06016	6.8
90.01578	14.0
90.57664	1.4
91.05479	16.9
92.00224	1.8
92.01280	1.9
93.07040	8.3
94.54253	2.3
95.00782	7.7
95.01309	1.9
95.04975	52.5
95.06907	3.5
95.08610	9.2
96.01549	12.0
96.08154	2.1
97.00501	2.4
97.02898	15.5
97.96803	4.1
97.99175	5.5
98.01298	12.6
98.97589	100.0
99.02063	1.8
99.04449	2.2
100.02495	2.2
100.51559	1.8
101.00771	13.8
103.05370	1.6
104.01289	9.7
105.02094	3.6
105.03367	2.5
105.07037	11.1
106.01023	2.1
106.06560	2.1
107.01794	6.4
107.04986	3.8
107.08593	4.0
107.52284	2.1
109.02904	7.6
109.06499	4.2
109.10145	2.7
110.00553	2.7
110.01292	41.7
110.51443	3.7
110.97584	17.5
112.07608	2.2
115.97804	2.0
116.98631	37.8
118.52591	1.7
119.01814	58.8
119.04930	5.7
119.51967	5.4
121.52078	2.5
123.04444	18.4
123.06381	2.8
123.08047	8.6
127.03916	5.9
128.02328	63.8
128.52478	4.6
128.98599	18.3
129.54457	2.1
130.52625	3.1
132.95840	2.4
133.10132	4.9
134.06024	8.6
134.99675	8.4
135.03024	2.2
137.02856	19.1
137.05940	2.5
139.53110	6.2
140.00203	5.5
140.98705	1.7
143.00108	1.8
144.98087	3.0
146.99678	10.6
148.53712	2.0
151.02771	2.6
151.03932	30.7
151.04994	2.4
151.05954	4.5
151.07501	8.9
151.11209	8.1
152.05681	9.3
152.06989	6.5
153.04054	2.9
156.97531	1.6
158.06641	2.2
158.99704	7.8
159.03294	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	8.2
55.01880	6.0
55.05255	4.3
55.05511	64.2
56.96563	17.3
57.03423	7.3
57.07070	6.1
59.05002	4.9
61.05320	2.4
65.03944	15.9
67.05166	3.5
67.05502	59.4
69.03422	8.6
69.07062	7.9
69.84888	11.7
69.91175	2.2
71.04958	2.6
73.02898	4.4
79.05486	31.1
81.03407	8.3
81.07054	100.0
85.02878	3.6
91.04954	4.2
91.05481	45.6
93.07051	33.0
95.04976	35.3
95.08605	22.1
97.06535	10.7
98.97577	13.2
101.00740	2.7
105.07021	48.0
105.08107	2.7
107.04962	5.1
107.08585	58.9
108.02100	11.4
108.05714	3.5
109.02934	3.3
109.06509	46.3
109.10155	78.4
110.01261	5.4
110.97546	3.3
116.48180	2.6
116.98600	3.5
119.01785	9.8
119.04941	5.7
119.06100	2.9
121.06509	2.9
121.10148	5.6
122.18672	2.3
123.04407	9.2
123.08066	27.3
123.11698	35.5
128.02301	10.0
131.08607	3.7
133.02798	2.2
133.06459	4.5
133.10120	24.9
136.08812	5.5
141.05450	8.2
144.44109	2.2
151.02710	5.3
151.03897	70.8
151.05040	28.6
151.06355	4.7
151.07547	55.9
151.08679	2.4
151.11177	67.6
151.12241	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03953	2.7
55.01864	3.1
55.05497	3.9
56.06675	1.4
57.07062	2.4
65.03941	46.7
67.05502	1.9
69.07056	6.4
69.34625	13.7
77.03902	1.5
79.05486	18.9
81.07053	4.3
81.39456	1.6
91.05484	24.4
93.03400	12.2
93.07040	25.6
95.04977	3.2
95.08639	1.7
98.03653	2.2
103.05475	4.4
105.07037	42.2
107.08593	44.6
109.06519	3.6
110.07344	1.8
111.04423	5.2
119.08582	14.9
121.02863	52.7
121.03987	14.3
121.06525	4.9
121.10140	100.0
122.10426	2.0
123.08064	4.9
131.08542	3.6
133.07628	3.7
133.10120	8.0
134.10913	5.9
134.75284	1.8
143.20453	1.6
146.84563	1.6
149.02344	99.6
149.06020	3.3
149.09602	13.5
149.13249	18.2
150.02644	2.5
151.02415	2.6
169.03467	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14330	1.5
53.03947	4.0
55.01863	5.2
55.70502	1.2
56.96569	100.0
57.03437	22.4
59.04990	2.6
60.93067	1.4
61.02925	14.9
65.03951	2.1
66.49690	1.3
67.05501	5.1
68.00259	6.0
68.02651	2.3
68.98290	2.8
69.03428	13.9
71.03529	3.3
71.05006	2.3
71.95239	2.0
73.02918	30.9
74.00260	4.2
74.97599	4.7
75.99995	1.8
77.00792	4.8
79.05491	6.0
80.00254	4.2
81.01051	6.9
81.03429	12.3
81.07053	2.2
82.01434	3.6
82.01868	1.6
83.00792	10.6
84.01598	1.3
84.96034	3.9
85.02901	22.5
86.03249	1.9
86.03706	2.9
86.99330	3.0
87.01057	7.6
87.99973	1.6
88.51560	1.6
89.00774	21.2
89.02554	1.8
90.01563	15.8
91.05480	5.0
92.01297	3.5
95.00803	9.8
95.04949	4.7
96.01561	14.2
96.51721	1.5
97.00505	7.5
97.01443	1.8
97.02895	17.7
97.96781	4.1
97.99197	8.4
98.01303	20.6
98.97587	90.3
99.04453	2.5
99.97903	2.5
100.02476	5.1
101.00780	22.0
101.50962	1.4
102.02370	2.0
103.02417	2.4
104.01284	8.3
105.00352	2.4
105.02074	4.7
105.07035	2.5
106.01014	2.5
106.06543	5.3
106.51571	1.6
107.01804	8.7
107.04960	8.8
109.02849	5.7
109.52099	2.3
110.01283	47.2
110.03456	2.1
110.51469	3.5
110.97579	16.6
112.51578	1.4
112.99157	2.2
113.00885	1.6
115.02443	2.8
115.52048	1.8
115.75650	1.5
116.00211	1.8
116.02555	2.1
116.98621	29.1
117.02120	1.9
117.04012	2.3
118.03483	1.5
118.52576	2.0
119.01807	78.2
119.04955	1.6
119.51975	4.0
120.02002	2.2
121.01666	2.2
121.52055	3.6
123.04448	4.0
123.08006	2.0
124.07586	1.5
126.02380	1.4
127.03922	6.1
128.02336	70.4
128.52470	6.4
128.98608	20.4
129.04004	1.7
130.37523	1.4
130.45856	1.3
130.52589	5.8
131.00133	1.8
131.01906	2.5
133.03435	3.4
134.03635	1.5
134.06006	6.1
134.99712	6.7
135.03099	2.5
135.04329	3.3
137.02841	16.3
139.53099	5.1
140.00189	6.5
140.05026	2.4
140.98611	3.5
143.00162	4.4
143.01941	2.5
143.03589	2.3
144.03197	1.7
144.98033	3.2
145.03505	3.4
145.04883	1.4
146.03616	4.2
146.99654	9.7
147.01413	4.2
147.03212	1.8
148.53625	2.4
151.03931	10.7
151.07494	1.8
151.11159	1.9
152.05659	13.6
152.07039	9.4
153.04115	2.5
155.00131	1.9
156.97496	2.1
157.03641	1.4
158.01274	3.9
158.99660	4.5
161.01205	2.9
161.02914	1.5
165.00681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03932	8.6
55.05507	2.8
60.83039	2.3
65.03928	10.8
69.03423	5.7
71.45532	3.8
72.22498	2.4
79.05481	25.7
89.23615	2.4
91.05479	80.7
93.07043	40.7
95.04958	4.5
103.05466	9.2
105.07028	48.3
106.07849	3.9
107.04957	3.5
109.06524	8.4
115.05467	6.7
116.06241	31.3
119.08587	9.9
121.02865	12.6
121.03914	2.4
121.06523	18.7
121.10143	47.8
123.08068	6.7
129.07002	10.1
131.08554	34.0
133.07611	5.7
134.07265	6.8
147.08022	3.7
147.41405	2.1
149.02353	23.5
149.09622	100.0
150.10020	2.9
152.09038	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
52.42195	1.3
53.03931	4.9
54.93833	1.1
55.01872	2.3
55.05496	5.2
55.39073	1.4
57.07062	4.4
65.03945	26.0
66.17302	1.4
67.05507	2.2
69.07062	6.9
71.17688	1.9
71.18006	1.4
79.05488	17.4
81.07050	2.7
91.05495	22.9
93.03394	5.7
93.07050	26.6
94.82082	1.4
95.05003	2.5
95.08591	1.6
103.05456	4.9
105.04511	2.2
105.07039	47.4
107.08602	46.6
109.06520	3.8
111.04449	4.2
119.06084	1.8
119.08590	12.9
120.09330	3.1
121.02866	30.5
121.03966	7.7
121.06508	3.2
121.10149	100.0
123.08076	5.3
131.04933	1.5
131.08597	3.5
133.07610	3.0
133.10127	4.0
134.10881	3.8
149.02348	48.2
149.06007	1.8
149.09628	17.4
149.13280	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03938	4.3
55.01864	4.3
55.05505	5.2
56.67483	1.3
57.07065	4.4
65.03944	36.8
68.75518	1.5
69.07068	5.5
69.39154	12.7
70.36894	1.5
70.89325	1.7
70.96159	1.4
77.03933	1.7
79.05495	25.5
81.07056	4.3
83.56084	1.4
91.05482	26.4
93.03401	9.5
93.07053	31.0
95.04981	2.6
95.08598	1.7
103.05468	4.9
105.04585	1.7
105.07034	52.6
107.04918	2.0
107.08595	46.0
109.06505	2.8
111.04440	5.7
111.18642	1.4
119.06147	2.3
119.08618	12.1
120.09364	2.2
121.02869	44.0
121.03980	14.1
121.06506	5.0
121.10148	100.0
122.10493	1.7
123.08071	5.3
131.08557	2.6
133.07623	3.9
133.10170	3.6
134.10915	4.8
134.14935	1.3
149.02353	86.5
149.05971	4.1
149.09627	27.7
149.10735	2.4
149.13266	17.3
150.02650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03948	2.0
53.29193	1.6
55.05502	10.0
62.02427	1.5
65.03931	4.1
67.05473	1.9
69.03425	3.3
69.07068	2.6
69.44463	14.5
79.05483	8.2
81.07067	2.2
91.05480	51.9
93.07035	4.7
102.41149	1.8
103.05461	3.8
105.07030	89.3
107.08592	7.3
115.05484	2.0
117.07023	15.4
119.04948	14.4
119.08578	100.0
129.07048	2.5
130.05260	1.5
131.08603	2.1
132.09375	5.8
142.12395	1.7
145.10124	9.1
147.04449	10.3
147.08058	6.9
147.11694	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
54.02470	0.6
56.05038	5.8
59.40742	0.6
71.04103	1.3
71.77158	0.6
78.40651	0.5
82.06587	0.6
83.53783	0.6
84.04507	100.0
85.02917	2.7
85.04813	0.6
85.06547	0.8
102.05544	17.3
109.16956	0.6
114.56062	0.8
121.02897	0.7
122.48710	0.5
130.05011	7.6
131.03398	0.5
133.03532	0.6
143.44357	0.6
148.06003	1.6
149.02406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03946	1.9
55.05516	12.6
55.55052	1.4
57.45467	1.2
60.35946	1.2
64.92796	1.9
65.03940	3.7
67.05493	2.8
69.03416	2.7
69.07079	7.8
70.05660	5.1
73.31210	1.5
77.03904	1.4
79.05495	10.1
81.07065	2.7
85.02916	1.3
91.05481	60.9
93.07030	3.9
95.04971	1.4
98.20869	1.5
103.05433	6.2
104.06313	1.7
105.07035	99.8
106.07372	1.4
107.04896	2.1
107.08586	5.0
116.06181	2.0
117.07045	12.4
119.04943	16.5
119.08585	100.0
123.96494	2.4
129.07027	1.8
131.08566	4.0
131.41655	1.4
132.09341	4.2
145.10144	7.1
147.04410	10.7
147.08035	5.0
147.11690	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03934	1.7
55.05514	9.4
56.70296	1.4
60.85674	1.3
64.92789	2.1
65.03929	3.5
65.07563	1.1
66.13587	1.2
67.05502	10.8
69.03407	2.8
69.07056	3.1
70.19421	6.3
71.04967	1.3
79.05486	13.0
81.07033	5.7
83.04952	1.2
91.05480	76.8
93.07040	7.5
103.05455	5.9
105.07029	96.3
106.07271	1.4
107.08623	2.1
114.49485	1.2
115.05401	1.6
117.07012	12.5
118.97323	1.2
119.04937	9.6
119.08579	100.0
123.96421	3.3
129.07022	2.2
131.08568	1.6
132.09352	2.5
136.60251	1.4
145.10114	6.3
147.04362	4.1
147.05452	1.5
147.08043	5.6
147.11679	44.5
149.03497	1.6
153.89909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.93096	0.3
55.01867	0.3
65.03943	0.3
69.42753	2.1
74.30409	0.3
79.05505	0.3
82.06587	1.6
88.11372	0.3
91.05479	26.0
92.05795	0.3
97.28963	0.3
100.07606	2.7
105.07030	2.2
106.07369	0.9
110.25504	0.3
117.05769	4.8
118.06541	100.0
119.04974	0.5
119.06110	0.4
119.06871	1.9
119.08564	2.2
131.07266	0.3
131.08156	0.3
146.05997	9.9
146.08028	0.4
146.10466	1.4
147.11668	1.8
162.18332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	trans-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
55.05515	29.2
56.05037	7.0
58.06597	1.3
60.05656	1.3
69.03421	0.8
69.33056	6.7
70.06599	1.0
74.02452	9.3
75.95525	0.7
82.06585	100.0
84.04517	1.3
84.08123	1.2
86.06075	4.9
87.04482	3.9
100.07624	53.7
114.64244	0.9
119.01945	0.8
128.07089	17.5
128.08075	1.3
134.66185	0.7
146.08142	27.9
146.09204	1.5
150.16141	0.9
152.48717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03946	0.5
53.68179	0.4
62.89804	0.5
63.46547	0.5
65.03941	12.1
69.77971	2.8
71.21586	0.4
78.54707	0.5
89.03878	0.5
91.05482	100.0
92.05819	0.9
96.22539	0.5
105.07042	1.8
108.10987	0.5
117.07035	0.5
119.04946	90.4
119.08586	3.4
120.05293	1.7
127.03606	0.5
133.24030	0.5
147.04414	32.8
147.11681	1.4
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
51.57183	0.5
53.03951	0.9
55.05511	2.8
64.92800	1.1
65.03940	10.1
66.52343	0.6
69.03434	2.2
69.07077	5.2
70.98646	1.5
71.04984	0.6
79.05492	1.8
85.02908	0.8
91.05484	100.0
92.05804	1.0
103.05470	0.9
105.07039	10.4
106.96508	0.6
107.04935	0.7
107.08620	1.1
117.07015	2.4
119.04948	81.2
119.08582	14.4
120.05264	0.8
123.18130	0.7
123.96463	2.1
129.06956	0.7
133.72768	0.6
145.10121	0.7
147.04410	33.6
147.08049	2.8
147.11694	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03947	3.9
55.05499	8.1
57.03447	2.1
61.02919	2.7
64.92816	1.9
65.03939	9.3
67.05492	3.6
69.03436	11.8
69.07044	4.1
69.46358	8.3
69.46767	5.3
71.04984	3.9
79.05485	7.9
81.07030	3.3
82.47685	2.0
85.02892	5.0
89.35572	1.8
91.05476	97.7
92.05796	1.8
93.07032	4.4
103.05458	6.3
105.07025	69.4
107.08597	6.3
112.02383	1.8
115.05443	2.9
116.06223	3.1
117.07010	19.3
119.04944	42.9
119.08572	100.0
123.96415	2.7
129.06985	4.6
132.05592	1.8
132.09364	8.7
145.10127	8.1
145.22064	1.9
147.04417	29.1
147.05501	3.3
147.08038	7.3
147.09161	3.2
147.11681	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03950	2.5
55.01866	0.7
55.05510	2.2
57.07073	1.3
62.39699	0.7
65.03947	1.6
66.04737	1.2
67.05505	31.1
69.03433	1.9
69.07073	2.3
69.45006	5.5
77.03916	1.2
79.05499	6.4
81.07062	16.6
91.04958	0.5
91.05484	13.1
93.07052	5.2
94.04198	12.4
94.07830	2.0
95.04992	3.9
95.08609	16.0
103.05478	1.9
104.06262	1.0
107.04964	23.4
107.08581	1.6
109.06523	2.1
109.10160	33.5
117.07036	1.5
119.08586	16.8
121.06512	9.3
122.03670	15.7
122.07291	100.0
124.02344	0.6
132.14940	0.7
135.04292	0.7
135.08031	3.9
137.02481	1.3
137.05988	23.1
137.09619	88.2
137.13222	1.5
138.09927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.28369	0.6
51.68885	0.6
53.03948	3.6
55.01857	1.3
55.05490	2.5
57.07079	3.6
58.96241	0.9
64.93943	0.6
65.03925	2.6
66.04712	1.9
67.05505	35.0
69.03443	1.8
69.07066	3.5
69.60561	3.8
72.84870	0.7
79.05493	8.7
81.03410	1.9
81.07056	24.8
87.59454	0.8
91.05486	18.5
93.07049	5.7
94.04192	16.1
94.07822	1.8
95.04980	4.2
95.08608	28.5
103.05444	1.9
104.06231	1.2
105.04469	1.3
107.04956	22.5
107.08584	2.7
109.06517	2.5
109.10157	34.3
117.07039	2.4
119.08582	15.7
121.06495	9.4
122.03655	20.5
122.07288	100.0
127.07694	0.7
135.08032	5.1
137.02448	1.6
137.05986	33.6
137.09613	88.1
137.13252	2.7
138.10014	0.9
138.11302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03942	1.7
55.05510	5.9
57.07076	11.0
65.03946	0.8
67.05506	26.3
69.07074	7.2
70.53334	0.6
70.72192	1.9
71.08656	0.6
79.05495	8.5
81.07058	64.4
83.08688	0.6
83.83540	0.6
91.05502	3.0
93.07050	7.9
94.04211	0.8
95.04996	1.8
95.08610	100.0
96.08950	0.7
100.73059	0.6
107.08576	1.7
109.06516	0.8
109.10164	6.5
119.08543	1.1
122.07316	1.1
132.68507	0.6
137.02512	1.0
137.05977	1.5
137.09598	2.2
137.13246	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03925	1.3
54.27641	0.8
55.05515	6.0
57.07079	11.8
57.30008	1.0
65.03946	1.3
67.05507	30.2
69.01712	0.9
69.07075	6.7
69.52758	6.7
79.05494	9.6
81.07057	69.2
91.05489	4.9
93.07061	6.9
94.04191	8.2
95.08607	100.0
96.08905	1.1
98.21527	1.8
107.04961	0.9
107.08587	1.2
109.06489	1.9
109.10165	9.5
119.74439	0.8
122.03645	13.5
122.07285	1.0
137.02426	1.8
137.05972	18.7
137.09575	1.8
137.13272	11.8
142.86516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1273
Annotation	(E)-2-Nonenal
Peak:m/z	Relative Intensity
55.05501	4.9
56.95181	1.3
57.07075	3.0
59.17955	1.4
62.32219	1.5
67.05499	9.8
69.07063	1.9
70.74775	4.3
71.04996	67.2
71.08632	100.0
79.05499	3.6
81.07052	23.5
81.51021	1.7
85.06526	2.2
95.08604	5.4
99.08096	31.1
111.04415	2.1
112.08733	1.8
113.02362	2.9
115.05429	1.6
141.01857	2.2
141.07018	4.0
141.12749	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07420	13.7
60.69403	12.6
61.79011	10.6
64.21039	13.2
66.50368	11.6
69.38966	41.1
69.39388	60.8
73.19492	10.5
98.20739	19.7
101.00861	41.0
119.01922	100.0
137.02950	14.6
142.03461	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11494	4.0
56.96573	12.7
60.15855	4.5
70.19148	22.2
70.19508	9.1
82.99846	6.5
100.98003	6.4
101.00882	46.1
103.32577	4.3
118.98214	6.0
119.01923	100.0
137.02974	16.2
140.63925	4.2
142.03535	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	143.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04539	0.4
54.03478	1.1
54.39829	0.4
57.03434	0.9
58.06594	1.0
58.99870	1.6
67.05520	0.4
68.05033	1.2
69.03433	0.6
69.04562	1.3
70.99857	2.7
77.00900	1.4
80.05019	0.6
81.04539	100.0
82.05331	2.5
82.99843	1.1
83.05666	0.4
83.06107	2.5
84.08146	3.1
88.02645	0.5
89.00880	1.2
90.35808	0.4
93.18003	0.5
95.06090	51.8
97.02882	1.0
97.58913	0.5
98.09702	0.5
98.20757	1.0
99.05592	1.5
101.00883	18.4
107.06075	1.6
113.53203	0.7
119.01917	37.8
120.02026	1.0
121.98972	0.5
125.02354	0.5
125.07112	40.3
137.02936	4.6
142.03471	1.1
143.01921	2.1
143.03398	3.3
143.08154	23.1
144.10201	8.2
161.02962	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03947	1.9
54.58979	0.6
55.01875	0.9
55.05510	2.8
65.03944	1.0
67.05505	28.0
69.03424	1.5
69.07085	1.4
69.26021	6.0
76.24433	0.6
77.03943	1.1
77.95149	0.6
79.05484	3.1
81.03423	0.7
81.07060	10.5
85.69306	0.6
91.05476	13.3
93.07045	4.0
94.04208	3.5
94.07829	1.6
95.04968	2.8
95.08607	10.0
96.35961	0.7
103.05437	1.3
104.06213	0.9
105.04559	0.8
107.04955	24.3
107.08591	2.8
109.06528	1.0
109.10154	35.7
113.12482	0.7
114.29310	0.6
117.07009	2.0
119.08579	15.5
119.73616	0.6
121.06507	10.2
122.03648	4.1
122.07285	100.0
123.07581	0.9
135.08083	3.6
136.08809	0.7
137.06012	7.2
137.09613	91.0
138.09941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01857	1.4
55.05508	2.8
56.96565	0.7
57.07080	1.2
57.10184	0.8
65.03950	2.3
66.04710	3.9
67.05503	35.9
67.55894	0.8
69.03429	2.0
69.07066	1.5
70.63525	1.7
70.63863	0.8
72.78694	0.8
77.03900	1.0
79.05495	7.8
79.91833	0.7
81.03427	1.5
81.07056	22.5
91.05479	18.8
93.07051	6.4
94.04185	24.1
94.04765	1.5
94.07817	1.1
95.04966	5.1
95.08607	17.9
103.05454	1.1
104.06242	2.3
105.04541	1.2
107.04955	23.6
107.08566	1.8
107.14242	0.7
109.06521	2.9
109.10152	37.3
111.60835	0.7
117.07030	1.2
119.04954	1.7
119.08582	15.8
121.06516	9.3
122.03653	32.1
122.07285	100.0
123.07623	1.7
135.08083	4.9
137.02428	3.0
137.05977	49.9
137.09610	93.1
152.74541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03950	4.3
55.01873	1.6
55.05510	3.7
56.96513	0.9
57.07063	2.0
60.66927	0.9
61.67125	1.1
64.93350	0.9
65.03935	3.3
66.04749	4.4
67.05507	39.0
69.03424	2.9
69.07050	2.4
69.80724	1.8
69.81134	3.9
73.99924	1.0
75.53754	1.0
77.03908	1.3
79.05495	11.7
81.03413	2.6
81.07058	25.7
91.05482	23.4
93.07050	6.1
94.04188	27.3
94.07835	2.5
95.04949	4.7
95.08608	22.7
103.05495	1.4
107.04958	24.8
107.08594	1.5
109.06517	6.8
109.10159	36.1
110.39838	0.9
117.07035	2.5
119.04929	1.5
119.08591	18.9
119.10447	1.0
120.56541	0.9
121.06526	10.0
122.03657	37.2
122.07291	100.0
123.07619	1.6
135.08022	4.8
137.02477	3.6
137.05980	55.1
137.09618	97.7
137.13223	2.1
156.41331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96563	0.4
57.15932	0.3
58.29041	0.3
64.77909	0.3
67.02986	0.6
69.96173	1.3
84.67850	0.3
86.59335	0.2
92.02500	0.6
94.04058	3.5
97.71033	0.3
109.05144	0.6
113.00874	0.7
119.03551	12.1
131.01932	2.1
136.02211	2.1
136.06186	100.0
137.04596	5.5
137.06671	0.3
138.63472	0.3
149.02924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.5
53.03942	1.6
55.01866	0.7
59.23355	0.2
65.03943	2.1
66.04723	8.0
67.05505	1.0
68.16316	0.2
69.03454	0.3
69.48595	0.6
69.49016	1.5
77.03931	1.0
79.05494	5.3
80.52419	0.2
81.07062	2.9
91.05479	4.7
93.03394	0.5
94.04189	52.1
95.04967	1.2
95.08605	0.7
105.03399	0.9
105.04513	0.3
107.04951	2.1
109.06503	0.9
110.07321	0.2
114.80769	0.3
119.05054	0.3
122.03648	73.0
123.03996	0.6
135.04411	0.6
137.05977	100.0
138.06328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	0.6
65.03938	1.9
65.73055	0.3
66.04723	8.0
67.11439	0.3
69.03414	0.5
69.90891	1.8
77.03935	0.9
79.05496	4.2
81.07059	2.4
91.05478	3.4
93.03371	0.5
94.04185	52.8
95.04967	1.0
95.76615	0.3
97.77029	0.4
98.21433	0.4
105.03402	0.6
105.04472	0.7
107.04946	1.6
109.06488	0.5
110.04041	0.3
122.03646	70.4
123.04021	0.8
135.04366	0.5
137.05974	100.0
138.06303	0.9
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
50.01592	0.4
51.02386	0.8
51.65123	0.4
53.03951	2.8
55.01877	1.7
55.05510	9.3
56.96568	0.5
57.07082	0.7
59.20554	0.4
59.93489	0.4
65.03934	3.3
66.04729	5.6
67.05505	28.9
68.34558	0.5
68.99787	0.5
69.03428	6.7
69.07081	2.1
69.46629	1.3
69.47057	2.3
72.06232	0.5
77.03919	1.0
79.05495	10.1
79.14656	0.4
80.06314	0.4
81.03419	1.9
81.07058	16.6
91.05479	13.7
93.07050	5.3
94.04189	44.2
95.04442	0.6
95.04980	6.4
95.08607	15.3
105.04520	0.9
105.07053	0.7
107.04958	3.0
107.08575	1.5
109.02866	0.6
109.06521	6.2
109.10155	9.6
111.08080	2.3
119.04945	1.2
119.08556	2.0
122.03648	62.6
122.07302	4.8
135.04362	0.6
137.02516	3.2
137.05977	100.0
137.09605	17.5
137.13268	0.9
137.74062	0.5
138.05418	0.8
138.06369	1.0
158.45103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	6.0
55.05511	6.7
65.03942	3.3
67.05511	3.5
69.07070	2.4
70.64529	1.1
70.84042	3.4
75.01248	1.1
77.03924	2.0
79.05495	24.1
81.07059	2.4
91.05483	65.1
92.06293	1.2
93.07044	42.3
95.04965	7.5
103.05534	1.4
105.04512	3.3
105.07038	31.4
106.04166	1.5
107.04962	2.6
107.08599	100.0
109.06516	8.4
115.05502	2.3
116.87948	1.1
117.07011	4.1
119.06056	7.1
119.08588	20.6
120.09342	7.9
133.10124	1.4
135.08072	6.8
135.11693	25.1
136.02144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01859	1.7
55.05511	13.8
65.03921	3.8
67.05497	4.0
69.07059	5.1
69.43694	3.1
69.44105	8.7
79.05486	29.6
81.07050	4.1
82.46925	1.4
91.05477	59.7
92.06281	1.8
93.07038	61.3
95.04968	7.3
95.08536	1.9
102.53315	1.8
103.05461	2.6
105.04548	1.5
105.07025	31.1
106.07816	1.8
107.04954	5.1
107.08589	100.0
107.12312	1.7
109.06502	6.9
115.05478	1.9
117.07008	4.5
118.97542	1.4
119.06049	5.5
119.08575	21.4
120.09359	5.5
133.10107	2.3
134.24080	1.3
135.04436	4.4
135.08057	6.9
135.11685	34.5
136.02176	2.6
139.98201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.74448	1.8
53.03939	5.9
54.79739	1.6
55.05507	10.1
57.24386	1.5
61.12078	2.0
65.28370	1.8
67.05482	5.7
68.49384	1.8
69.07060	5.7
71.00092	3.9
77.03956	1.7
79.05493	29.0
81.07053	5.9
86.45467	1.9
91.05481	51.6
93.07043	56.8
95.04979	5.8
95.08621	2.2
96.91740	1.8
105.07040	25.2
107.04955	3.8
107.08592	100.0
109.06513	7.2
110.21401	1.8
117.07028	3.3
119.06072	4.0
119.08574	17.4
120.09372	4.0
135.04413	7.2
135.08055	8.2
135.10797	2.7
135.11699	27.6
136.02153	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01862	1.0
55.05252	0.9
55.05511	11.9
56.42206	0.6
62.42366	0.6
65.03930	2.2
67.05504	4.9
69.07066	3.6
71.09138	1.8
77.03931	1.4
79.05492	25.7
80.39030	0.7
81.07069	4.8
84.64970	0.7
91.05480	40.2
93.07043	60.3
94.07822	2.0
95.04965	5.2
105.04533	2.4
105.07030	17.8
106.04186	1.1
106.07835	0.9
107.04954	2.2
107.08594	100.0
108.08951	1.0
109.06516	5.6
115.05431	0.9
117.07027	2.2
119.06084	3.5
119.08583	8.2
120.09348	2.8
125.67303	0.6
133.10123	0.9
135.04399	2.2
135.08067	2.7
135.11691	20.8
136.02171	2.6
136.06155	1.0
147.09225	0.8
147.35133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.56281	0.9
53.03949	6.1
55.01861	1.9
55.05503	1.4
56.02654	0.8
56.96547	1.2
63.02369	4.5
69.09924	1.0
70.88244	2.2
77.03922	2.2
79.05490	22.5
82.39754	0.9
89.03919	100.0
91.05476	4.4
93.07032	3.6
95.04951	6.7
103.65542	0.9
105.04530	2.3
105.07028	3.1
107.04957	18.6
107.08594	5.8
117.03387	34.7
117.04220	1.7
117.07050	1.0
135.04417	63.1
135.08023	4.8
135.11699	2.8
136.02162	5.1
136.06219	1.1
145.03937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01860	6.9
55.05489	5.7
56.96561	19.7
57.03439	19.2
58.99853	3.9
66.71425	3.5
67.05469	3.5
69.03418	10.3
69.62852	20.6
72.52962	5.8
73.02927	22.9
77.00919	4.9
78.52960	5.0
79.03013	3.9
79.05479	10.9
79.51905	3.2
81.03417	6.8
82.01424	8.9
83.52184	3.7
85.02888	6.7
85.53716	4.2
86.52696	13.0
87.02831	3.7
88.02674	12.1
88.51675	13.8
89.01733	5.7
91.05471	6.1
92.52693	3.8
93.01894	10.1
93.53474	9.8
98.20730	5.9
100.02483	44.0
101.00887	32.1
101.02558	7.0
102.00992	5.2
102.02413	16.9
103.00638	7.2
104.52673	4.6
105.00403	3.9
105.07018	5.0
106.06541	3.5
106.07278	4.1
107.04958	3.6
107.08602	4.1
109.02883	3.8
111.02947	8.0
111.03693	3.6
113.00864	5.3
113.53194	7.1
115.02450	5.5
116.98682	4.4
117.06996	5.7
118.01165	3.0
118.03525	28.9
119.01131	6.1
119.01924	100.0
119.03648	3.9
119.97287	3.9
120.01994	24.0
120.03325	3.4
120.04199	10.4
121.01646	27.2
122.53694	6.7
124.02416	9.0
125.99185	4.8
126.04008	3.1
128.49503	11.5
128.99612	4.5
129.03941	9.1
129.49316	8.4
131.01912	26.0
132.05136	3.4
133.03453	9.4
134.06003	15.1
134.09610	3.9
135.04402	4.4
137.02951	28.5
137.49998	30.8
138.00031	3.7
138.03082	8.9
138.49873	7.5
139.02670	13.5
142.03514	58.0
143.01888	4.2
143.03630	22.1
144.03265	12.4
145.03461	5.3
147.05000	11.3
154.03510	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03462	3.0
55.01874	19.7
56.05032	12.1
57.03449	19.2
58.06591	13.4
58.99881	4.6
69.03421	7.7
70.02956	4.1
70.06593	84.0
71.04996	100.0
71.47833	5.0
72.08154	38.9
73.02923	33.4
74.02443	93.3
78.52970	7.4
79.05474	4.2
79.57658	3.6
81.03401	8.1
82.01439	5.9
85.02908	8.9
85.67780	3.6
88.02680	17.8
88.03984	47.5
88.07630	44.6
89.00894	5.5
90.09200	29.6
93.01905	14.8
93.53506	5.9
94.68227	3.1
97.02879	3.6
98.06074	33.3
99.04482	5.2
100.02509	15.6
101.00887	26.3
102.02444	19.3
102.09177	19.0
102.52510	3.8
104.52714	3.9
106.06540	5.4
107.04911	3.6
108.71828	3.9
111.02948	14.3
113.00856	7.8
115.02445	3.9
118.03530	4.0
119.01929	46.3
120.01994	6.3
122.53712	6.7
124.02430	15.9
131.01900	18.3
131.54219	3.6
134.05995	20.4
134.08128	9.0
134.11777	86.2
137.02869	4.3
142.03500	53.4
143.03662	9.1
143.18016	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65900	3.0
52.86606	3.7
55.01875	8.0
56.05025	7.3
57.03422	9.5
58.06588	12.8
59.33364	3.4
67.24358	3.8
69.03397	3.5
70.06595	57.0
70.50219	9.1
71.04636	6.1
71.04994	75.9
72.07779	6.2
72.08154	55.6
73.02905	12.5
74.02442	70.2
79.05477	9.0
83.18068	4.6
88.02686	7.3
88.03981	33.8
88.07632	38.3
90.09189	49.3
90.13712	3.4
93.01870	5.0
95.55151	2.9
96.69465	3.3
98.06063	19.2
99.04458	3.5
100.02461	7.2
101.00868	6.3
101.94825	3.5
102.02390	3.7
102.09164	7.0
106.06549	10.5
106.07273	3.4
111.02924	5.9
116.07082	10.4
119.01952	20.8
124.02393	4.8
128.01903	3.4
134.05997	17.0
134.08104	6.6
134.11766	100.0
135.04359	3.7
142.03488	24.9
154.03693	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29427	0.5
53.03940	1.5
55.05508	2.1
67.05505	0.6
69.07965	0.5
70.81817	1.0
70.82143	0.5
72.55032	0.6
77.03913	0.8
79.05495	9.4
91.05483	22.4
93.07050	6.1
95.04975	1.7
103.05476	5.3
105.07031	65.1
107.08578	1.7
115.05444	7.9
116.06225	1.5
117.07026	9.2
117.70345	0.5
118.07809	9.1
118.56807	0.5
129.07016	0.9
131.08588	8.0
133.06564	2.7
133.10132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.23674	0.5
55.05513	2.2
65.03956	0.8
67.05526	0.9
70.64254	1.2
70.64584	0.6
74.44760	0.5
77.03958	0.8
79.05498	10.8
91.05486	25.0
92.06283	0.5
93.07058	5.9
95.04987	1.6
103.05470	4.8
105.03394	0.7
105.07035	65.7
107.08602	1.4
115.05458	7.7
116.06255	1.1
117.07031	11.3
118.07810	9.9
131.08560	8.2
133.02896	0.6
133.06546	3.7
133.10135	100.0
134.10492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.35811	1.1
54.39956	0.9
55.05499	3.3
57.06445	0.9
64.93305	0.9
66.55496	0.9
67.05479	1.0
71.15636	1.9
73.04328	1.0
75.99429	0.9
77.17377	1.0
79.05491	5.5
91.05476	23.8
93.07045	5.7
103.05484	4.8
105.07030	67.6
107.08563	1.2
115.05470	8.3
117.07012	7.4
118.07806	11.0
131.08585	9.1
133.10129	100.0
134.10464	1.2
146.68077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
52.14468	0.5
53.03946	2.2
55.05517	2.9
65.03955	0.8
67.05521	1.1
71.61082	0.8
71.61456	0.8
79.05493	9.5
81.10555	0.5
90.12060	0.5
91.05487	27.0
91.08292	0.5
93.07058	6.4
95.04981	1.9
103.05470	6.1
105.07038	76.7
106.07328	0.8
107.08619	2.1
115.05459	8.9
116.06264	1.8
117.07038	9.1
118.04176	1.1
118.07808	9.7
131.08572	9.6
133.02824	0.6
133.06549	4.7
133.10138	100.0
134.10484	1.5
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
51.02383	0.4
51.78011	0.3
53.03939	1.8
55.05514	3.0
59.08284	0.3
65.03921	0.5
67.05497	0.7
70.89655	0.8
73.81732	0.4
77.03918	0.5
79.05492	9.0
83.79967	0.3
85.60004	0.4
91.05479	22.3
92.06282	0.4
93.07045	5.6
93.29949	0.3
95.04959	2.0
96.09149	0.3
103.05468	5.0
104.06247	0.6
105.03417	0.7
105.07027	63.1
106.07360	0.6
107.08592	1.3
115.05459	7.1
116.06232	1.3
117.07014	9.5
118.07803	10.1
129.07008	0.7
131.08553	8.1
133.06508	1.4
133.10126	100.0
134.10472	1.4
136.85635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02375	0.8
53.03937	2.7
55.01876	2.9
55.05509	2.2
56.96567	2.9
61.58656	0.6
66.04714	1.5
69.03419	0.9
69.59609	4.3
69.60452	0.6
77.03920	1.3
79.05495	14.1
82.60200	0.6
87.04459	2.3
89.03922	0.7
90.04686	1.9
91.05482	17.4
93.07056	2.7
95.04963	3.1
103.05470	11.2
105.03383	1.1
105.04588	1.2
105.07031	100.0
106.07345	1.1
107.05026	0.7
107.64357	0.5
115.05454	5.9
116.06192	0.6
117.07050	3.6
117.24612	0.6
118.04166	9.0
118.07795	2.7
119.58295	0.6
129.07057	0.6
131.04895	1.0
131.08568	4.3
133.02885	1.2
133.06496	56.8
133.10133	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
53.03933	1.7
55.05511	2.5
65.03943	0.8
67.05503	0.6
69.87356	0.4
70.72341	1.2
77.03940	0.9
79.05500	7.2
79.15807	0.5
87.38328	0.4
91.05483	22.6
93.07050	5.2
95.04970	1.9
95.98403	0.5
103.05473	3.8
105.07033	54.0
106.07384	0.6
107.08591	1.6
115.05442	8.1
116.06248	1.6
117.07024	9.4
118.07809	10.9
131.08569	8.6
133.10132	100.0
134.10448	1.0
146.78333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03945	2.1
55.05501	3.8
59.49513	1.1
61.74960	1.3
71.61621	2.1
79.05485	9.4
80.95619	1.2
85.00594	1.4
91.05478	29.0
93.07047	6.0
95.04996	2.3
99.84599	1.5
103.05460	6.3
105.07029	84.8
115.05454	10.8
117.07023	9.8
118.07806	10.4
131.08583	14.7
133.06476	3.5
133.10129	100.0
139.26073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.67942	0.5
53.03937	1.7
55.05521	2.8
59.57576	0.5
65.03942	0.7
67.05489	1.0
70.73374	1.4
79.05508	7.4
91.05485	21.1
93.07062	5.8
95.04976	1.3
103.05479	4.5
105.07037	55.4
107.08555	1.4
115.05468	6.9
116.06241	1.4
117.07030	10.5
118.07809	9.2
119.43071	0.5
131.08586	7.3
133.10136	100.0
134.10448	1.5
137.46461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
63.19634	1.0
67.59617	0.9
69.07072	2.1
70.64384	2.5
70.64718	0.9
85.99957	1.0
86.09708	100.0
132.04443	0.9
139.14879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	3.6
50.25660	1.5
51.02377	12.2
53.03952	11.6
55.01876	4.9
56.96562	11.8
60.95848	2.9
62.84026	1.8
63.37385	1.6
69.03438	3.3
70.16311	1.9
70.61438	3.9
72.93795	2.9
73.02949	2.3
77.03931	91.5
77.05937	1.6
79.05501	14.0
82.52477	1.8
90.94838	1.7
91.05467	19.2
93.07046	2.6
95.04980	13.7
97.02877	3.3
102.96876	2.2
103.05476	10.6
105.03397	100.0
105.04543	5.3
105.07032	98.8
112.02174	2.2
115.05463	7.3
117.07018	4.1
118.04170	3.3
118.07796	3.7
123.07984	3.6
131.08582	4.3
133.02867	29.3
133.06514	43.1
133.07588	5.9
133.10139	29.3
134.05969	2.2
150.96893	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02381	0.4
53.03943	2.8
53.47449	0.4
53.72102	0.3
54.22692	0.4
55.01875	2.7
55.05503	0.7
56.96566	1.6
57.03421	0.4
69.03453	0.5
69.79123	1.3
69.79530	0.8
77.03923	1.5
79.05496	16.0
88.93008	0.4
91.05481	6.4
93.07047	1.2
94.04233	0.4
95.04969	2.9
103.05476	10.2
105.03396	1.4
105.07034	100.0
106.07368	1.2
107.04932	0.8
115.05461	4.7
117.07030	0.7
118.04157	0.5
118.07824	0.4
130.06529	0.3
131.01828	0.9
131.04933	1.5
131.08582	1.2
133.02812	1.3
133.04816	3.1
133.06499	73.9
133.10130	9.3
134.06003	0.8
134.06903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01581	0.3
51.02383	1.4
53.03949	6.7
55.01871	0.3
56.56414	0.3
56.96558	1.5
57.03419	0.4
62.08511	0.3
69.03446	0.3
71.17865	0.5
71.18200	0.3
71.37399	0.3
72.93789	1.0
77.03912	2.1
79.05493	0.6
81.03420	0.5
85.02930	0.3
86.09708	1.0
89.00768	0.5
90.90378	2.7
91.05454	0.3
95.04369	0.4
95.04969	8.1
96.04488	2.4
98.21392	0.3
103.05457	0.3
104.04992	64.5
105.03403	1.8
105.04527	2.7
105.05241	0.6
105.07040	2.5
106.79944	0.3
107.01775	0.4
108.91431	0.5
109.04231	0.3
118.04645	0.4
132.04449	100.0
133.04825	1.7
133.06477	1.3
149.94046	0.4
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
50.01579	0.2
51.02382	0.6
53.03946	3.0
54.08326	0.1
55.01867	0.2
56.96561	0.3
65.85915	0.1
68.69302	0.1
70.84804	0.4
70.85163	0.2
77.03909	1.0
81.03416	0.3
82.78531	0.1
84.08121	0.2
85.08473	1.0
91.05479	3.0
95.04357	0.2
95.04963	4.2
98.97578	0.2
102.04682	1.2
103.05463	100.0
104.05785	0.9
105.04514	1.5
113.07932	0.3
115.05476	0.3
116.06242	1.0
128.70859	0.1
129.07021	0.6
131.04922	10.5
131.08554	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03947	3.9
55.01878	0.2
56.96556	0.7
70.03723	0.3
70.10490	0.3
70.10892	0.7
77.03922	0.6
81.03402	0.4
84.08131	0.3
85.08466	1.8
89.00762	0.2
91.05480	6.9
95.04967	4.5
98.97606	0.5
102.04684	1.0
103.05466	100.0
104.05792	1.1
105.04502	1.9
113.07962	0.6
113.81480	0.2
115.05479	0.6
115.36442	0.2
116.06251	1.7
116.98573	0.2
129.06982	1.3
131.04930	9.4
131.06961	0.4
131.08553	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	129.0547
Annotation	(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate
Peak:m/z	Relative Intensity
53.03941	8.8
55.01861	10.0
55.05513	48.3
55.61322	2.9
57.03177	4.1
57.03438	50.6
57.77114	2.6
67.05495	4.1
69.03440	24.6
69.07078	4.3
69.78428	3.2
71.01367	5.4
71.04993	73.3
71.28428	6.7
75.12424	2.9
78.95375	2.9
83.04986	88.0
83.06887	3.3
84.04493	13.9
84.08139	63.1
85.02908	100.0
86.16340	3.0
87.04420	3.5
97.02908	3.1
99.04440	7.6
111.04446	23.4
112.07597	18.0
128.06236	36.5
129.01842	31.0
129.05530	5.9
129.07048	28.8
129.10262	3.4
130.06512	11.8
130.08635	12.7
145.06502	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03951	3.5
55.01870	0.3
56.96573	2.3
57.03442	0.5
57.07051	0.2
58.07416	0.2
61.02924	0.4
67.05502	0.3
68.95310	0.2
69.03431	0.4
70.03764	0.4
71.00172	0.4
71.00510	0.2
73.02919	0.3
77.03929	1.0
81.03413	0.4
84.08154	0.2
85.02906	0.4
85.08481	1.3
89.00779	0.3
90.01593	0.3
91.05489	2.4
95.04974	4.4
95.08623	0.7
97.02917	0.2
98.01310	0.2
98.97592	1.3
102.04677	1.2
103.05473	100.0
104.05807	1.1
105.04518	1.9
107.01810	0.2
110.01298	0.4
113.07938	1.2
116.06233	0.8
116.98607	0.4
119.01799	0.2
120.47984	0.2
128.98618	0.3
129.07022	0.5
131.04935	10.4
131.08548	2.3
136.74600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82511	0.2
51.02377	0.6
53.03950	3.5
55.01881	0.4
56.96579	1.3
57.07074	1.4
57.63937	0.2
68.75843	0.2
68.95290	0.2
69.03424	0.2
69.80457	1.2
70.03783	0.3
73.02923	0.3
77.03923	1.0
81.03409	0.3
83.00783	0.4
84.08144	0.4
85.02896	0.3
85.06547	0.7
85.08477	1.6
91.05481	6.4
95.04960	4.3
98.01306	0.4
98.96989	0.2
98.97597	0.6
102.04654	1.1
103.05470	100.0
104.05802	1.1
105.04543	1.7
107.47742	0.2
111.15421	0.2
113.07935	1.1
115.05434	0.5
116.06259	2.1
116.98598	0.5
119.01808	0.2
122.56689	0.2
129.07013	0.8
131.04936	9.8
131.08546	5.1
146.00734	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	129.0547
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
50.18189	3.8
55.01858	12.0
55.05507	41.0
57.03184	3.3
57.03438	43.6
58.11202	3.0
59.06762	3.3
62.03877	3.1
65.32751	3.8
67.05512	4.0
69.03416	22.0
69.07043	7.8
71.04640	5.8
71.04996	70.2
76.21568	3.5
83.04985	86.8
84.08137	44.3
85.02905	100.0
87.04483	3.7
98.21535	5.6
99.04429	8.0
111.04482	22.2
112.07590	12.0
128.06219	31.7
129.01840	15.8
129.05539	7.1
129.07022	29.9
130.08649	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32171	0.2
56.96565	0.5
58.99865	0.4
62.50589	0.2
65.81768	0.1
69.03444	0.2
70.29735	0.4
70.30105	0.3
70.99863	0.7
77.00908	0.4
78.06345	0.3
80.05016	0.5
82.01430	0.5
82.99837	4.0
89.00868	0.3
89.02579	0.2
91.92994	0.2
95.01372	0.2
96.04485	0.4
97.02894	0.3
100.02496	0.8
101.00883	38.8
101.02512	1.0
102.00957	0.4
103.02464	0.2
111.00422	0.2
118.03531	0.4
119.01920	100.0
120.01979	1.2
121.01553	0.2
121.02349	0.6
122.34183	0.2
124.02458	0.7
124.03948	3.5
124.07584	0.5
133.03508	0.3
137.02956	19.5
138.03044	0.3
139.03337	0.2
140.80916	0.2
142.03496	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
53.04154	0.7
55.01869	2.0
55.05510	30.4
56.05030	4.5
56.96563	1.6
57.03425	1.0
58.06588	1.2
62.56329	0.6
64.81441	0.6
65.03926	0.7
67.05481	2.0
69.03419	5.0
69.40369	1.5
69.40788	3.2
70.06593	7.8
71.04982	2.0
79.05486	14.2
80.05009	2.0
81.03407	4.5
81.07056	39.7
82.06609	1.0
83.07351	0.6
83.08616	10.0
84.04508	2.5
84.08115	4.2
84.96013	1.4
91.05491	3.4
93.05792	3.8
96.04498	5.8
96.08112	0.7
97.05276	23.4
98.03170	0.7
98.06065	16.2
98.09693	13.6
99.04418	1.0
102.94871	0.8
103.00597	1.5
108.04475	2.6
108.08122	18.2
108.08861	1.4
109.02876	5.6
109.06518	31.3
111.06831	0.7
111.53635	1.0
121.01677	5.7
126.05518	4.1
126.09153	100.0
127.03912	10.4
127.09491	0.9
139.02692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66145	0.5
53.03949	3.2
53.16029	0.6
55.05516	4.7
57.07072	4.2
59.17860	0.7
65.03944	1.7
67.05503	18.8
69.07067	2.6
70.84808	1.1
79.05111	0.4
79.05492	18.2
80.05016	9.6
81.07057	100.0
82.01453	5.4
82.07433	0.7
93.07060	1.7
94.07841	0.8
95.04967	8.0
95.08611	16.0
95.09222	0.9
96.04504	3.8
100.02481	17.4
100.03127	1.0
105.04490	0.9
105.07021	1.0
106.02994	0.5
106.07360	1.1
108.05746	1.3
108.07686	1.6
108.09364	1.0
112.03985	0.5
118.03523	6.7
119.01942	1.0
121.10147	1.2
123.04434	3.4
123.05561	19.5
123.08074	6.5
123.10022	1.7
123.11709	19.7
124.03948	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07418	0.3
56.26492	0.4
70.12752	1.4
80.10499	0.3
82.01438	0.4
82.99841	3.7
83.01511	0.7
91.73051	0.3
98.20758	0.4
100.02495	1.0
101.00882	40.2
101.02554	2.0
102.00967	0.5
102.02262	0.4
111.00455	0.3
112.63939	0.3
118.03511	0.4
119.01923	100.0
120.02036	1.3
121.02316	0.5
124.02432	0.8
137.02957	19.6
138.03099	0.4
142.02425	0.4
142.03506	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01868	0.7
55.05507	6.6
57.07070	5.6
58.17703	0.6
60.34957	0.6
65.03943	1.8
67.05504	26.5
67.05871	1.3
68.99785	0.6
69.07058	2.6
70.11154	2.3
77.03929	0.7
78.03444	1.0
79.05491	19.1
80.05016	9.4
80.05797	0.7
80.06231	0.6
81.03416	1.2
81.07053	100.0
82.01441	3.3
82.07378	0.9
91.05491	0.9
93.07049	4.1
94.07823	1.1
95.04355	1.2
95.04968	24.9
95.08603	25.9
96.04495	3.5
96.05283	0.6
100.02477	13.1
102.52673	0.6
103.88683	0.5
104.05782	0.7
105.04526	1.4
105.07011	3.0
106.07365	2.8
107.04980	1.2
108.05721	4.5
108.07664	5.7
108.09396	0.6
118.03529	5.8
119.01939	0.9
121.06519	0.7
121.10128	1.9
123.04438	6.1
123.05548	24.5
123.08064	14.6
123.08993	1.0
123.10022	6.1
123.11702	24.4
124.03955	2.3
135.46725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03933	2.3
54.23289	0.5
55.05511	5.3
57.07075	4.8
64.25561	0.4
64.42722	0.5
65.03936	1.0
66.04729	0.5
67.05505	16.9
69.07073	2.8
69.40521	4.1
77.03944	0.6
79.05492	16.8
80.05017	3.4
81.07055	100.0
82.01443	0.9
82.07378	1.0
92.24669	0.5
93.07068	2.4
94.07828	0.7
95.04970	5.2
95.08603	15.6
96.04484	0.8
100.02473	4.4
101.84128	0.5
105.04496	0.6
105.07027	0.7
106.07381	0.5
108.05751	1.5
108.07663	0.9
108.09336	0.9
118.03534	1.5
121.10148	1.5
123.04459	1.0
123.05556	6.5
123.08074	7.3
123.10091	1.0
123.11702	19.0
124.03930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20090	0.6
53.03949	4.7
55.01880	0.9
55.05514	6.0
57.07082	4.6
58.36084	0.7
65.03946	1.6
67.05508	23.0
68.37703	0.6
69.03429	0.7
69.07067	2.8
69.46531	4.1
78.03477	0.7
79.05498	19.3
80.05022	7.7
80.05838	1.0
81.03464	0.8
81.07061	100.0
82.01450	4.0
91.05467	0.9
93.07037	4.3
94.07825	1.2
95.04971	12.2
95.08615	20.5
96.04519	3.2
100.02496	14.7
104.73960	0.6
105.03439	0.8
105.07028	3.6
106.07359	1.3
107.04945	0.8
108.05754	5.8
108.07688	1.7
118.03534	5.5
119.01933	1.3
121.06507	0.7
121.10173	1.2
123.04465	4.1
123.05576	17.6
123.08077	15.7
123.10031	2.3
123.11715	20.7
124.03967	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.7
69.71817	24.4
80.07457	3.3
81.03410	6.6
82.01448	37.1
88.02717	4.6
91.78712	3.4
94.40932	3.8
100.02482	100.0
101.00880	9.3
118.03516	41.9
119.01918	17.1
137.02995	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02368	1.7
53.03731	1.5
53.03947	18.1
55.01870	3.1
55.05260	1.5
55.05510	25.0
57.07064	5.0
57.23271	1.1
58.19109	1.0
65.03928	6.5
67.05505	99.5
69.03418	3.9
69.07043	2.1
71.27264	2.3
77.03922	4.7
79.05494	24.7
80.05022	20.6
80.05818	1.5
80.06276	2.0
81.03420	3.2
81.07058	96.9
82.01447	8.6
91.05479	5.3
93.07048	18.2
95.04968	96.9
95.08607	100.0
96.04483	6.7
96.05265	1.4
100.02489	30.1
101.00896	1.3
103.05465	2.0
104.05814	1.4
105.03376	2.1
105.04513	7.0
105.07043	9.9
106.07301	5.7
107.04961	3.1
107.07330	1.3
108.05733	25.1
108.07670	10.2
112.03929	1.6
118.03523	13.5
119.01923	4.2
121.06506	3.5
123.04437	28.9
123.05554	47.9
123.08067	77.1
123.09973	13.3
123.11702	25.4
124.03945	5.6
137.02997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
54.23289	0.5
55.05511	5.3
57.07075	4.8
64.25561	0.4
64.42722	0.5
65.03936	1.0
66.04729	0.5
67.05505	16.9
69.07073	2.8
69.40521	4.1
77.03944	0.6
79.05492	16.8
80.05017	3.4
81.07055	100.0
82.01443	0.9
82.07378	1.0
92.24669	0.5
93.07068	2.4
94.07828	0.7
95.04970	5.2
95.08603	15.6
96.04484	0.8
100.02473	4.4
101.84128	0.5
105.04496	0.6
105.07027	0.7
106.07381	0.5
108.05751	1.5
108.07663	0.9
108.09336	0.9
118.03534	1.5
121.10148	1.5
123.04459	1.0
123.05556	6.5
123.08074	7.3
123.10091	1.0
123.11702	19.0
124.03930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.1
53.10024	1.0
55.01867	1.4
55.05509	1.6
60.66049	1.0
65.03941	3.5
67.05513	1.1
77.03935	3.1
79.05499	41.7
81.03422	1.1
81.07047	1.6
84.14843	0.9
88.09177	1.1
91.05491	21.7
93.06461	1.5
93.07052	28.5
95.04971	11.4
103.05481	24.1
105.04523	5.5
105.07037	100.0
106.07837	7.0
107.04970	10.1
107.07311	3.0
119.08593	14.3
120.05753	1.2
121.02877	3.4
121.04015	1.9
121.06512	22.9
121.10149	57.3
122.07228	2.0
122.09677	3.7
123.08073	11.5
133.07602	6.9
138.06688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	13.3
55.01869	1.3
55.05513	6.5
65.03934	3.9
67.05501	2.7
70.53387	2.5
70.53722	1.7
76.87826	1.0
77.03915	3.0
79.05491	48.1
80.39828	0.9
81.07060	1.4
91.05477	30.8
93.07044	57.6
95.04975	12.8
96.94913	1.0
103.05463	22.7
105.04532	4.7
105.07030	100.0
106.07834	7.9
107.07294	1.4
119.08588	12.5
121.02854	3.8
121.04038	1.6
121.06530	8.1
121.10144	55.1
122.09665	1.5
123.08078	7.9
133.07593	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28975	2.3
70.82420	3.1
70.82777	4.6
82.01450	37.9
86.70734	2.0
92.02454	2.1
92.26443	2.2
100.02486	100.0
101.00884	6.4
118.03516	33.2
119.01931	19.6
125.98746	2.0
126.73122	2.0
134.57303	2.0
137.02922	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.25756	0.7
50.92816	0.7
51.02365	1.6
53.03946	13.7
55.01857	1.6
55.05512	3.9
56.96555	1.1
65.03937	7.0
67.05508	3.7
69.42596	0.8
69.54078	0.7
71.61189	0.9
71.61584	1.2
75.85157	0.7
77.03935	2.5
78.04720	3.7
78.29140	0.8
79.05492	52.1
81.03413	1.8
81.07030	1.2
91.05481	46.3
93.07043	50.4
95.04967	16.3
103.05472	27.8
103.06001	0.5
105.04520	6.1
105.07030	100.0
106.04167	1.4
106.07833	6.9
107.07331	8.2
113.41632	0.7
119.08582	14.4
121.02876	5.6
121.04015	1.5
121.06506	29.5
121.10141	49.2
122.09675	9.5
122.10474	1.6
123.08069	9.6
133.07603	6.2
136.27214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03945	10.2
55.05513	1.7
65.03931	1.6
67.05486	1.4
71.18320	1.3
71.18678	0.9
77.03924	2.4
79.05490	38.3
81.07036	1.2
84.44691	1.0
90.01559	0.9
91.05476	17.8
93.07040	26.2
95.04969	12.2
97.07141	0.9
103.05475	20.0
105.04509	4.0
105.07027	100.0
106.07818	6.4
107.04961	7.2
107.07326	2.9
119.08579	12.3
121.02843	2.1
121.06514	15.8
121.10142	52.7
122.07255	2.3
122.09669	2.2
123.08063	8.9
125.96427	1.0
133.07617	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03938	3.2
54.11978	0.7
54.47150	0.7
55.58825	0.8
61.57098	0.7
63.93262	0.7
65.03927	3.1
68.42538	0.7
70.85074	1.9
75.01323	0.7
75.95132	0.7
78.04706	1.1
79.05502	7.6
91.05485	79.1
93.07051	5.0
95.04956	3.4
101.88229	0.8
103.05471	11.1
104.06246	12.1
109.06601	1.0
109.10503	0.7
112.00403	0.9
115.05424	4.3
117.06207	1.3
117.07024	19.2
119.08583	100.0
120.08936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.42963	1.2
53.03936	3.7
53.05774	1.0
53.33514	0.9
65.03931	4.9
70.75500	2.7
78.04705	1.4
79.05496	7.5
86.92441	0.9
91.05480	100.0
93.07041	6.0
95.04985	2.4
96.05309	1.2
99.28590	1.0
103.05463	13.4
104.06248	14.0
108.96856	1.1
109.06505	1.0
115.05412	5.8
117.07013	25.7
119.06069	2.1
119.08578	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.04033	1.3
52.51296	1.4
53.03944	15.9
55.05505	4.3
65.03931	5.9
67.05485	4.1
69.42249	12.5
75.00831	1.6
76.99012	1.2
77.03928	2.9
79.05052	2.8
79.05492	46.7
80.12753	1.3
81.07037	1.4
88.87221	1.4
91.04961	2.7
91.05487	38.4
93.07045	58.4
95.04972	15.4
103.05464	22.6
105.04521	5.1
105.07030	100.0
106.07829	9.0
107.07346	15.3
119.08600	13.0
120.08070	2.3
121.02850	8.3
121.04020	3.6
121.06516	25.0
121.10143	54.6
122.09669	17.4
123.08092	10.4
133.07591	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03934	0.8
55.05513	6.0
55.62545	0.5
56.96555	1.3
63.14623	0.5
64.19751	0.5
65.03941	17.5
69.37628	4.5
79.05490	1.0
83.08636	2.5
83.09047	0.4
83.91824	0.4
91.05482	100.0
92.04952	0.6
92.05813	0.7
95.04969	0.6
103.05488	0.9
104.06260	0.6
106.14074	0.5
115.05448	0.7
117.07010	1.9
119.04948	27.6
119.06009	2.1
119.06808	1.0
119.08576	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	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03950	1.2
55.01876	28.9
55.05515	7.9
56.05040	19.8
56.96568	17.7
57.03440	4.4
57.93572	2.3
58.06611	0.5
58.96168	0.3
58.99865	0.6
59.04997	1.0
59.52192	0.5
60.04525	0.7
60.05642	0.5
60.95858	0.5
61.02927	1.2
62.77349	0.3
65.52191	0.4
67.05497	0.5
68.05035	0.5
69.01902	0.4
69.03432	3.9
69.07104	0.4
70.03784	0.6
70.06596	100.0
70.95737	1.0
70.98125	0.6
71.01347	1.2
71.02991	0.4
71.04993	7.1
71.05353	0.6
71.06936	0.5
71.95271	0.8
72.04519	1.8
72.05645	0.9
73.02934	1.3
74.00255	0.9
74.02425	0.5
74.06082	1.5
74.93835	11.6
74.97624	0.6
75.01026	0.4
76.01807	0.4
77.00892	1.0
78.52969	1.5
79.05495	0.9
79.77511	0.3
80.05028	1.3
80.40438	0.3
80.52718	0.4
81.01047	0.5
81.01930	0.6
81.03416	3.4
81.07064	0.7
82.01440	2.2
82.02686	0.6
83.00783	3.5
83.04977	0.6
84.01163	0.6
84.01613	0.7
84.04507	19.5
85.02905	0.7
85.51939	0.7
85.53748	0.8
86.02027	0.6
86.06035	0.5
88.02723	0.4
88.04811	0.5
88.07635	0.9
89.00880	0.4
90.01549	2.1
91.00552	1.0
92.01317	1.4
92.54512	0.5
92.94880	4.4
93.53446	0.5
93.66781	0.4
94.44350	0.4
94.52445	1.5
95.01335	9.2
95.02558	0.4
95.52347	0.5
97.02934	0.6
98.06062	36.5
98.07067	4.7
98.09703	2.4
98.97585	5.3
99.02075	1.0
99.04470	2.2
99.10455	0.6
100.01067	0.6
100.02486	8.6
101.00906	1.9
101.01559	0.5
101.02583	0.9
102.00991	1.2
102.02242	4.1
103.00659	0.6
103.02439	1.0
104.03107	1.6
104.94844	0.4
106.02041	1.1
109.02899	1.2
110.95888	0.6
110.97543	0.6
113.00919	0.4
113.01749	0.4
113.03645	0.9
114.04057	0.8
115.00562	0.4
115.02440	1.0
115.96436	1.6
115.97952	0.4
116.07097	62.2
116.08170	2.1
116.10737	1.8
116.97256	1.1
116.98621	3.2
117.03989	0.8
118.01147	0.5
118.03535	5.0
119.01929	5.7
119.03661	0.5
120.02003	6.9
120.03222	3.0
120.03972	0.5
121.01676	1.8
128.98643	0.5
131.00197	0.6
131.01932	2.1
132.05048	0.8
133.01721	1.3
133.03484	1.1
133.97495	0.6
134.03682	0.4
134.04785	0.4
134.99651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
51.02375	1.9
53.00314	2.7
53.03949	43.4
55.01875	17.7
57.03446	10.8
59.05002	11.3
65.27070	1.8
69.03431	100.0
69.07053	3.1
70.06577	5.3
71.01357	24.1
71.62032	2.9
72.93781	2.1
73.02921	90.0
80.13843	2.0
85.02909	60.5
87.04465	7.6
87.41848	1.8
89.03969	2.2
97.02896	83.2
115.03938	59.7
115.05460	51.6
115.09502	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01876	28.9
55.05515	7.9
56.05040	19.8
56.96568	17.7
57.03440	4.4
57.93572	2.3
58.06611	0.5
58.96168	0.3
58.99865	0.6
59.04997	1.0
59.52192	0.5
60.04525	0.7
60.05642	0.5
60.95858	0.5
61.02927	1.2
62.77349	0.3
65.52191	0.4
67.05497	0.5
68.05035	0.5
69.01902	0.4
69.03432	3.9
69.07104	0.4
70.03784	0.6
70.06596	100.0
70.95737	1.0
70.98125	0.6
71.01347	1.2
71.02991	0.4
71.04993	7.1
71.05353	0.6
71.06936	0.5
71.95271	0.8
72.04519	1.8
72.05645	0.9
73.02934	1.3
74.00255	0.9
74.02425	0.5
74.06082	1.5
74.93835	11.6
74.97624	0.6
75.01026	0.4
76.01807	0.4
77.00892	1.0
78.52969	1.5
79.05495	0.9
79.77511	0.3
80.05028	1.3
80.40438	0.3
80.52718	0.4
81.01047	0.5
81.01930	0.6
81.03416	3.4
81.07064	0.7
82.01440	2.2
82.02686	0.6
83.00783	3.5
83.04977	0.6
84.01163	0.6
84.01613	0.7
84.04507	19.5
85.02905	0.7
85.51939	0.7
85.53748	0.8
86.02027	0.6
86.06035	0.5
88.02723	0.4
88.04811	0.5
88.07635	0.9
89.00880	0.4
90.01549	2.1
91.00552	1.0
92.01317	1.4
92.54512	0.5
92.94880	4.4
93.53446	0.5
93.66781	0.4
94.44350	0.4
94.52445	1.5
95.01335	9.2
95.02558	0.4
95.52347	0.5
97.02934	0.6
98.06062	36.5
98.07067	4.7
98.09703	2.4
98.97585	5.3
99.02075	1.0
99.04470	2.2
99.10455	0.6
100.01067	0.6
100.02486	8.6
101.00906	1.9
101.01559	0.5
101.02583	0.9
102.00991	1.2
102.02242	4.1
103.00659	0.6
103.02439	1.0
104.03107	1.6
104.94844	0.4
106.02041	1.1
109.02899	1.2
110.95888	0.6
110.97543	0.6
113.00919	0.4
113.01749	0.4
113.03645	0.9
114.04057	0.8
115.00562	0.4
115.02440	1.0
115.96436	1.6
115.97952	0.4
116.07097	62.2
116.08170	2.1
116.10737	1.8
116.97256	1.1
116.98621	3.2
117.03989	0.8
118.01147	0.5
118.03535	5.0
119.01929	5.7
119.03661	0.5
120.02003	6.9
120.03222	3.0
120.03972	0.5
121.01676	1.8
128.98643	0.5
131.00197	0.6
131.01932	2.1
132.05048	0.8
133.01721	1.3
133.03484	1.1
133.97495	0.6
134.03682	0.4
134.04785	0.4
134.99651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
50.88968	0.5
53.03948	1.8
55.01865	2.0
55.05514	47.5
60.30021	0.6
65.03953	4.8
69.07053	0.7
70.96029	1.4
81.03405	0.9
83.04985	30.4
85.02925	0.6
88.00481	1.2
93.03410	1.2
93.07050	0.5
94.12210	0.5
100.07428	0.5
108.63755	0.5
111.04449	100.0
112.04854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
108.87741	0.2
181.86234	0.2
195.35402	0.2
222.98161	0.2
455.41547	0.2
613.40100	0.2
778.98090	0.2
951.47339	0.7
1113.52441	100.0
1114.52393	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	1113.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
86.58414	0.2
96.27830	0.2
115.88673	0.2
128.31900	0.2
157.35832	0.2
166.67131	0.2
167.07121	0.3
170.73108	0.2
350.50500	0.2
601.44635	0.3
606.35553	0.2
756.69385	0.2
900.92554	0.2
951.46387	0.3
1113.52441	100.0
1114.52502	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.05493	5.1
57.03425	6.3
57.07077	72.7
65.03951	11.2
67.01857	6.2
67.05507	100.0
68.05055	1.9
69.03434	4.0
69.07080	2.8
70.02953	3.6
71.04993	22.0
71.94101	6.5
71.95284	2.1
72.93794	29.0
72.94427	1.5
73.92910	1.7
83.65860	1.5
83.81279	1.5
85.06055	2.5
85.06546	31.3
90.94836	9.7
95.01341	3.8
95.04973	38.6
95.08601	4.3
96.00879	2.4
98.21585	3.6
105.89333	1.5
109.31277	1.4
113.00040	12.8
113.02370	90.5
113.03548	5.4
113.06000	27.9
113.96399	2.2
114.09135	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	111.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01873	2.7
55.05513	43.8
55.98322	0.5
64.84565	0.5
65.03947	5.1
67.05518	0.6
69.03434	1.1
69.07064	2.0
70.19205	2.5
81.03421	0.6
81.07047	0.5
83.04984	29.7
88.00505	2.5
91.05501	0.8
93.03404	1.4
93.07036	1.8
97.01007	2.0
98.21441	0.7
100.76194	0.5
111.04446	100.0
111.08080	2.9
115.64322	0.5
115.96446	1.2
117.60104	0.6
121.42236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	3.0
55.05512	49.1
56.96560	0.6
65.03947	6.5
65.92358	0.5
68.10876	0.5
69.03427	0.8
69.07056	1.9
70.19054	2.1
74.18770	0.5
75.81792	0.5
81.03400	0.7
83.04985	34.0
85.02874	0.7
88.00490	3.8
91.05445	0.5
93.03407	1.4
93.07048	2.0
97.00999	2.4
109.89953	0.5
111.04446	100.0
111.08068	3.0
112.04772	0.9
112.07690	0.6
115.96458	1.4
116.97163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01882	3.5
55.05514	51.3
57.64928	0.3
65.03944	5.6
68.99781	0.6
69.03445	1.2
69.07076	1.6
71.46489	0.4
71.60754	0.4
71.61217	0.6
81.03421	0.7
82.04224	0.6
83.04984	33.7
85.02913	0.9
88.00483	1.9
89.21639	0.4
91.05502	0.4
93.03405	1.1
93.07046	0.9
97.01002	0.8
111.04448	100.0
111.08087	1.7
112.04803	0.6
115.96439	0.5
126.40952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.595
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	2.9
81.03410	2.1
81.07059	8.8
83.04979	19.5
83.08611	1.7
85.02905	100.0
86.03244	1.1
87.04479	2.8
91.03963	1.1
91.05473	3.1
93.07034	6.2
95.04971	1.4
95.08607	15.0
97.02892	27.9
97.06561	0.7
97.10160	0.9
98.20711	0.6
99.04459	3.0
99.08098	1.5
101.06017	0.9
103.03972	1.8
105.07028	6.8
107.08595	9.4
109.02891	2.7
109.06538	0.6
109.10156	7.5
111.04442	18.3
111.05199	1.1
113.02390	0.9
113.06025	1.4
115.03928	18.5
117.07014	1.4
119.08578	12.0
121.10141	7.2
123.04458	1.2
123.11723	4.9
125.06036	0.8
127.03918	8.5
129.05481	43.6
131.08577	4.8
133.04982	6.6
133.10127	6.8
135.11707	6.5
137.13255	4.1
139.03922	3.4
143.08601	2.0
145.04968	7.1
145.10112	6.4
147.06520	26.0
147.11668	7.0
148.19679	0.5
149.04507	0.6
149.13263	6.2
151.03841	1.2
151.07620	0.5
151.14854	0.7
153.05533	1.3
157.04974	1.2
157.10141	2.8
159.11702	6.4
161.13220	3.5
163.06050	3.8
163.07396	1.2
163.14838	1.6
165.05493	0.9
165.07622	1.9
165.09158	0.5
169.04984	1.7
169.10071	0.7
171.06598	1.8
171.11749	1.6
173.13310	5.1
175.14801	4.0
177.09123	0.8
177.16353	2.5
181.05005	1.2
181.83694	0.6
183.06595	0.9
183.11751	0.8
185.04337	0.5
185.13322	2.0
187.14819	5.5
189.16418	3.1
191.17943	18.3
195.06636	1.0
197.13222	0.9
199.06004	1.4
199.14822	3.9
201.16391	13.9
203.14333	1.2
203.17964	5.0
205.19571	2.5
207.06514	1.0
211.14900	0.8
213.07497	0.5
213.16362	6.0
215.18027	2.0
217.15993	0.7
217.19511	2.2
219.13881	1.1
219.17467	1.8
223.05995	1.2
225.07581	10.3
225.16483	0.7
227.17963	1.0
229.15836	0.6
229.19589	0.9
231.08676	1.5
231.13966	0.6
233.15434	0.6
237.07664	1.3
239.17963	1.4
241.07111	1.7
241.19501	1.6
243.08649	13.4
244.24948	0.6
245.15382	2.1
247.16959	4.9
249.14890	1.1
253.19621	1.1
255.08633	4.4
255.21048	0.9
257.22601	0.6
259.08093	3.9
259.16940	2.8
261.09641	4.5
267.21127	0.6
269.22614	0.7
273.09695	5.3
277.08963	0.5
279.10754	27.7
280.11050	0.6
285.18475	1.3
287.20050	2.9
291.10745	0.8
295.10236	4.3
299.20071	0.8
309.11789	12.5
325.11243	0.9
349.29099	0.7
391.33633	5.4
393.35123	0.8
397.12561	0.7
405.13809	1.1
409.34665	7.6
427.35849	1.7
437.34174	44.0
438.34674	2.2
441.16513	0.6
455.35236	19.6
456.35403	1.0
473.35907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.595
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	3.1
81.03426	4.1
81.07050	9.1
83.04980	20.7
83.08634	1.6
85.02904	100.0
87.04444	2.3
91.05486	4.2
93.07056	6.9
95.08036	1.3
95.08607	18.1
97.02895	27.8
97.10172	1.1
99.04436	3.2
101.06018	0.9
103.03934	2.5
105.07024	7.3
107.08593	10.8
109.02877	2.9
109.06502	2.2
109.10142	8.2
111.04442	18.1
113.06003	1.6
115.03930	21.3
119.07776	1.2
119.08580	15.8
121.10149	10.3
123.04412	0.9
123.11683	5.3
127.03922	9.3
129.05482	46.7
131.08565	5.4
133.04967	6.1
133.10136	9.2
135.04347	1.4
135.11685	7.8
137.13248	4.3
139.03899	3.4
143.08548	2.7
145.04964	8.3
145.10117	7.9
147.06511	26.0
147.11668	7.0
149.05931	1.0
149.13237	5.8
153.05463	1.0
157.04999	1.1
157.10081	3.2
159.11690	7.7
161.13260	4.7
163.06004	3.3
163.14774	3.8
165.07661	1.3
169.04935	1.7
171.06497	2.8
171.11688	1.5
173.13257	5.7
175.06075	1.0
175.14862	5.6
177.09116	1.4
177.16403	5.1
179.14311	1.4
183.11714	1.7
185.13290	7.3
187.05927	1.3
187.14828	7.2
189.16428	6.4
191.17957	21.6
192.18190	1.2
199.14830	3.9
201.16370	21.1
203.14345	7.7
203.16005	1.0
203.16344	0.8
203.17955	6.6
205.19673	1.1
207.06438	0.9
207.17415	1.1
211.14906	1.0
213.07619	1.2
213.16318	6.0
214.35530	0.9
215.17938	3.6
217.19426	2.1
219.13748	0.9
219.17433	1.5
223.06047	1.3
225.07579	14.3
227.17938	1.6
229.19482	1.4
231.08611	1.4
239.17981	1.2
241.07062	1.2
241.19507	2.9
243.08670	13.5
243.21001	1.8
245.15352	1.7
247.17012	6.8
249.14929	4.6
255.08638	2.9
259.08145	4.3
259.16888	3.8
261.09784	5.0
261.18628	1.1
273.09647	7.1
273.18533	1.1
279.10757	27.1
285.18460	0.9
287.20050	2.8
295.10199	4.6
299.20230	1.2
309.08640	1.2
309.11816	11.9
347.47739	1.0
387.12787	1.0
391.33630	5.8
397.13385	1.0
409.34613	12.6
411.36188	1.8
427.35620	1.7
437.34198	52.4
438.34329	3.6
455.35269	23.4
456.35428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.87210	0.4
53.03947	3.8
55.01884	0.6
55.05513	10.6
65.03942	4.9
67.05505	100.0
69.07062	5.8
69.60207	3.1
79.05499	11.0
80.06263	1.0
81.03415	6.4
81.07058	31.0
91.05483	2.2
94.04205	1.3
94.07841	1.5
107.04970	0.5
107.08605	3.6
109.02880	1.6
109.06528	7.0
109.10155	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	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.6
53.03948	5.6
55.01865	1.8
55.05512	10.2
63.89247	0.6
65.03939	4.8
67.05504	100.0
68.05807	0.6
69.07070	6.4
69.81171	1.7
69.81588	1.9
76.73145	0.6
79.05494	12.3
80.06269	1.1
81.03420	9.6
81.07056	35.5
88.12366	0.6
91.05473	2.3
94.04185	1.7
94.07829	1.7
98.98396	0.5
103.58315	0.5
105.07043	0.8
107.04903	0.6
107.08596	3.4
109.02878	3.4
109.06512	7.1
109.10157	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	7.6
55.01870	1.4
55.05512	9.4
60.52082	0.6
62.45022	0.7
65.03934	5.1
67.05505	100.0
69.07059	5.5
69.77630	3.8
70.25123	0.6
70.38706	0.7
79.05495	11.8
80.06278	0.8
81.03423	11.5
81.07059	35.5
91.05475	1.7
94.04179	2.3
94.07805	1.0
107.08609	2.6
109.02880	2.6
109.06528	9.3
109.10158	45.1
110.06027	0.8
128.25471	0.7
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	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03945	24.5
53.91125	0.6
55.01873	1.9
55.05511	9.8
55.64081	0.6
65.03934	4.6
67.05503	100.0
68.05841	0.9
69.07059	5.3
69.41158	5.7
79.05486	13.8
80.06280	1.7
81.03415	44.3
81.07052	35.5
88.98103	0.7
91.05471	2.6
94.04196	1.0
94.07825	1.0
107.08588	3.8
109.02120	0.8
109.02877	16.9
109.06513	7.5
109.10152	44.4
110.06028	0.7
124.82369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03946	14.4
55.01877	7.8
55.05508	10.9
65.03950	7.5
66.04721	1.7
67.05504	85.6
67.93526	0.7
69.07078	6.0
71.61668	1.3
79.05494	48.5
81.02982	0.8
81.03425	14.0
81.07056	61.8
82.07346	0.7
84.81474	0.6
91.05479	14.7
94.04188	4.9
95.04934	0.8
107.04953	0.9
107.08592	2.7
109.02866	4.8
109.06520	100.0
109.10157	36.2
110.06060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.50394	0.5
53.03949	3.3
54.16856	0.4
55.01876	1.1
65.03943	13.8
67.05505	4.5
69.37460	1.5
69.37878	2.6
77.03916	0.9
78.05733	0.5
79.05495	36.9
91.05485	100.0
92.06282	3.7
95.04972	4.7
95.39037	0.4
100.32277	0.5
105.04516	1.5
105.07035	25.0
106.04195	0.8
106.06570	1.6
107.04962	15.1
107.07374	1.4
107.08598	28.5
109.06523	9.7
109.90245	0.5
119.06070	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.18428	0.4
52.13163	0.4
53.03951	2.9
55.01872	1.1
65.03941	13.9
67.05493	2.6
67.86581	0.4
69.93217	1.7
69.93626	1.0
79.05492	17.1
81.75320	0.5
85.01292	0.4
91.05479	100.0
92.06287	2.8
95.04946	3.3
96.82889	0.5
98.20825	0.6
105.04508	1.5
105.07031	29.6
106.04188	1.3
106.06565	0.9
107.04955	15.7
107.08591	29.7
109.06519	13.0
119.06062	8.8
124.05193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01596	0.8
51.02391	2.8
51.50094	0.4
53.00306	2.7
53.03947	55.9
53.42438	0.4
55.01872	6.1
55.05508	1.3
56.96570	1.5
62.99081	1.9
63.79948	0.4
65.00636	1.3
65.03952	1.0
67.05504	13.1
67.05865	0.7
69.07053	0.6
71.60474	0.5
79.05496	3.7
81.03418	100.0
81.07051	5.1
84.08166	0.5
91.05497	0.8
94.04190	1.0
98.31612	0.5
98.97581	0.8
100.02509	1.4
107.04946	0.7
107.08602	0.7
109.02878	26.4
109.06523	2.7
109.07657	2.1
109.10157	5.1
110.06052	1.7
114.60561	0.4
118.01159	0.7
119.01901	0.6
121.01675	0.4
129.12743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02391	2.0
53.03947	12.5
53.85657	1.2
62.21225	1.0
64.89478	1.2
68.12092	1.2
69.42503	10.3
72.13628	1.3
77.03928	3.8
79.05493	47.4
95.04975	17.1
98.18721	1.2
103.05473	32.3
105.04504	6.5
105.07030	100.0
106.07370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02375	1.3
53.03699	0.5
53.03951	9.8
55.01874	2.5
65.03948	3.5
67.05500	0.9
69.97105	1.8
72.29187	0.3
75.76729	0.3
76.65220	0.4
77.03919	2.4
79.05497	19.1
81.03426	1.2
91.05486	26.7
91.82582	0.4
92.06315	0.4
95.04356	0.6
95.04969	11.9
98.21499	0.4
105.04514	4.2
105.07034	7.6
106.04156	0.3
106.06561	1.0
107.04959	100.0
107.08598	8.5
108.05296	0.9
109.06532	3.2
119.06069	2.3
124.05143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01614	0.3
50.99300	0.2
51.02375	0.6
53.03951	9.9
55.01868	1.8
56.96558	0.5
62.12299	0.2
65.03944	0.3
70.71703	0.2
70.72031	0.6
77.03928	2.9
79.05495	13.1
81.03426	1.3
86.49524	0.2
88.98228	0.2
91.05486	2.2
95.04357	0.5
95.04970	10.2
95.96429	0.2
105.04517	4.4
105.07029	1.0
106.06537	0.2
107.04958	100.0
107.08590	0.7
108.05304	0.8
112.09607	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.0
53.03947	12.5
53.85657	1.2
62.21225	1.0
64.89478	1.2
68.12092	1.2
69.42503	10.3
72.13628	1.3
77.03928	3.8
79.05493	47.4
95.04975	17.1
98.18721	1.2
103.05473	32.3
105.04504	6.5
105.07030	100.0
106.07370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
53.03950	21.1
55.01869	0.9
56.96561	12.5
57.03414	0.6
58.50534	1.1
58.96157	1.3
60.08163	0.9
60.95836	1.0
67.51054	2.0
68.01228	0.8
68.50861	0.6
69.47928	1.7
69.48338	3.0
70.01344	0.6
76.51588	1.0
77.03940	5.3
79.01860	3.3
79.52042	1.2
81.03415	2.1
88.02340	1.2
90.27737	0.6
91.12872	0.7
95.04969	25.3
102.04693	4.3
102.96882	0.9
103.05467	100.0
104.05806	0.8
104.10727	1.4
105.04517	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02371	3.7
53.03947	26.6
55.01875	1.0
56.96561	2.8
57.03428	0.9
60.08160	2.3
60.95854	4.3
62.92978	0.9
66.30049	0.7
71.44806	1.7
75.94567	1.1
77.03915	7.5
81.03424	3.5
85.02908	2.4
87.04422	0.9
95.04969	30.4
99.02748	0.8
102.04697	5.2
102.96858	2.2
103.03990	2.4
103.05468	100.0
104.10735	6.3
105.04515	13.4
120.97908	1.2
124.66116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
53.03950	19.0
55.01872	1.7
56.96575	6.1
57.03426	1.5
60.08153	1.7
60.95848	4.5
67.51055	1.4
69.80756	3.3
77.03919	3.4
79.01842	0.9
79.52023	1.2
81.03422	2.0
84.14474	0.7
85.02905	3.2
95.04973	22.7
102.04686	3.1
102.91182	0.6
102.96888	1.1
103.05470	100.0
103.13119	0.8
104.05801	0.7
104.10733	2.6
105.04508	8.6
120.97881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	4.9
59.07379	1.4
60.08164	48.6
61.08500	0.2
69.03431	0.6
70.62192	0.5
70.62547	0.2
78.93467	0.1
86.06068	0.3
87.04472	0.8
88.07591	0.2
98.21530	0.2
104.10744	100.0
104.35428	0.1
105.11072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59089	0.3
56.96561	0.3
57.01591	0.3
58.06598	5.2
58.06866	0.4
59.07380	1.5
60.08165	46.7
62.92997	0.3
69.03425	1.0
69.96455	1.4
86.06092	0.5
87.04464	1.5
95.92871	0.3
98.21461	0.5
104.10744	100.0
105.11079	0.4
105.44795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36777	22.4
71.04974	3.9
73.02920	5.9
76.44052	2.4
79.05494	84.8
81.03442	14.5
81.07057	94.3
83.04974	9.5
83.08600	16.3
85.02905	23.2
85.06539	5.4
91.03955	8.9
91.05482	100.0
93.06455	4.9
93.07044	88.0
95.04968	15.6
95.08608	70.0
95.09227	3.1
97.02889	14.4
97.06535	13.5
97.10154	8.1
99.04414	4.1
99.08089	6.1
103.05463	3.0
105.04530	3.3
105.07035	94.0
107.04958	4.7
107.07871	2.4
107.08601	47.9
107.09291	5.3
109.06519	9.6
109.10156	22.3
111.08090	6.4
115.05448	5.6
115.26248	2.6
116.06242	3.3
117.07019	48.0
119.07786	4.0
119.08585	59.9
121.06484	5.0
121.10142	33.7
123.04377	2.8
123.08079	7.1
123.11706	5.3
125.09650	4.4
127.03889	7.1
128.06241	10.5
129.05513	4.4
129.06984	26.5
131.08565	54.9
133.10138	53.5
135.08069	7.8
135.11681	19.6
137.09686	3.4
141.06961	12.0
142.07730	6.1
143.08559	27.4
145.04945	6.0
145.06497	2.9
145.10123	42.0
147.08055	5.0
147.11685	29.7
149.09621	8.3
149.13272	12.1
152.87231	2.2
153.06969	2.5
155.08543	17.4
156.09358	5.4
157.06506	2.9
157.10147	29.9
159.08040	2.8
159.11682	32.7
161.09676	3.7
161.13261	17.0
163.06049	3.0
163.14912	2.8
167.08566	8.8
169.10127	20.1
171.11682	20.6
173.04514	4.5
173.13264	16.1
175.11111	3.1
175.14861	7.1
177.12784	3.3
179.08546	3.3
181.10141	11.1
183.11719	22.5
185.09633	2.8
185.13295	14.7
187.14861	7.6
189.16385	2.7
195.11778	11.5
195.13452	3.3
197.13248	12.3
199.14818	9.6
201.16391	4.1
207.11896	3.5
209.13293	10.5
211.14825	9.5
213.16359	5.6
221.13329	4.0
223.14880	7.4
225.16292	6.6
225.65736	2.8
229.14349	5.3
233.18950	3.4
237.16425	3.9
239.17918	4.0
241.19522	9.9
257.18994	7.9
259.20587	24.8
260.62238	2.6
261.22122	3.5
269.17444	8.4
273.18451	5.0
275.20047	9.7
285.22153	3.2
289.21802	3.0
315.23233	3.5
331.22559	3.5
333.24307	15.2
335.26041	14.9
349.24045	5.3
435.32590	6.4
447.32236	2.7
472.79306	2.8
485.32529	3.0
487.33829	2.9
507.07809	3.2
513.35724	8.5
515.38501	3.4
517.40210	7.5
527.37231	19.6
567.40173	3.5
591.43652	4.5
607.43408	13.9
609.45135	56.1
610.45160	3.2
625.44110	10.6
744.74133	2.6
768.12854	2.8
771.50049	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99948	2.8
64.35306	2.4
70.79337	4.3
70.79676	4.9
71.17312	2.6
71.67130	2.9
76.76630	2.5
81.39539	2.3
82.01461	3.0
82.99841	6.4
83.01516	14.8
84.01193	2.7
100.02475	7.3
101.00890	52.9
101.02567	29.3
102.02248	2.6
119.01933	100.0
119.03641	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03695	1.0
53.03949	19.0
55.01876	1.5
56.96567	12.1
57.03438	0.8
58.96164	0.7
60.08161	2.3
60.95846	2.0
67.51064	2.0
71.60661	1.0
76.51598	0.9
77.03920	3.9
79.01868	1.2
79.52049	0.7
81.03419	2.1
85.02894	1.0
88.02386	1.2
88.52513	0.8
95.04970	23.3
99.52326	0.8
102.04681	4.9
103.05470	100.0
104.05786	0.8
104.10719	3.3
105.04515	7.9
108.20427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01321	0.3
71.04991	1.0
71.08621	0.7
73.02917	2.8
74.54881	0.3
79.05499	1.1
81.03427	1.3
81.06655	0.3
81.07050	1.8
83.08609	0.7
85.02901	3.5
91.03955	2.7
91.05514	0.8
91.73618	0.3
93.07053	1.0
95.08597	1.2
97.02892	4.1
97.06573	0.4
97.10185	0.6
98.21617	0.6
99.04479	0.6
101.02400	1.3
105.07034	0.7
107.08614	0.6
109.02889	0.8
109.10188	0.9
115.03970	0.3
119.08588	0.5
121.10177	0.4
125.09622	0.4
127.03956	1.0
131.08585	0.4
139.66153	0.3
145.10065	0.4
150.44600	0.3
159.11736	0.3
182.19814	0.2
185.04353	1.2
203.05338	0.6
229.27490	0.3
243.08351	1.7
313.27524	0.9
347.09628	2.2
363.09229	0.7
365.10791	1.1
365.22894	1.7
405.13672	5.8
405.18539	0.4
421.25922	0.6
485.23715	0.7
497.30771	4.1
583.30865	5.4
629.42096	0.3
659.36200	5.7
668.35425	0.3
680.80890	0.3
731.39520	0.4
745.36279	4.7
831.47388	1.2
839.54688	1.3
857.49115	0.4
1001.60101	100.0
1002.60638	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	998.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
92.35580	84.8
121.38593	82.7
146.27852	91.9
324.49191	100.0
428.05423	94.6
593.77240	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	17.4
71.05004	0.6
72.99297	2.5
73.02956	4.7
79.30517	0.4
83.01405	3.4
85.02956	12.7
87.00873	2.0
89.02454	7.9
93.03462	5.0
95.01397	1.8
96.96013	5.1
97.02943	1.3
98.20654	1.2
99.00835	1.1
101.02457	14.4
103.04030	1.4
103.92706	0.5
108.02200	0.8
109.02998	1.2
111.04544	0.9
113.02465	6.5
119.03518	3.1
121.02934	0.6
123.00898	2.1
125.02439	1.7
129.01941	0.6
131.03516	8.9
134.03764	0.6
135.04581	0.7
136.01669	0.7
137.02451	1.9
138.03271	3.9
139.04027	1.0
145.29903	0.4
149.02435	0.7
150.03178	0.5
151.00377	1.0
153.01950	1.8
153.05591	5.7
159.03162	0.5
161.02429	1.0
161.04518	0.7
162.03319	0.7
163.00349	0.6
163.04042	0.6
165.01993	1.4
166.02734	2.1
168.04318	2.6
173.04520	2.5
175.00369	1.4
176.01158	3.7
177.01921	2.6
177.05536	1.1
178.02693	2.3
179.03493	2.0
179.05672	0.6
181.05077	2.0
191.03622	4.1
191.05444	3.3
192.04291	4.8
193.01453	3.3
193.05074	3.3
195.06537	0.8
207.06647	7.0
208.03812	4.9
223.06140	9.6
238.04694	0.6
293.81918	0.5
383.25949	5.4
401.12375	1.2
415.13980	1.0
419.29626	1.8
437.30670	12.3
438.30875	1.1
449.14536	3.8
450.14578	0.8
455.31671	1.3
499.30240	1.0
551.33911	0.6
569.34808	2.6
587.35577	0.9
610.20251	1.1
611.20258	0.7
640.21625	28.8
641.22278	3.6
642.45532	0.6
659.23828	0.5
661.35443	0.6
704.47809	0.5
715.40991	1.2
733.41925	4.6
749.41052	0.6
777.40942	13.3
778.40363	0.8
789.27570	0.8
793.40131	1.9
819.28680	1.3
837.30139	1.2
895.46844	3.8
918.49158	1.0
939.46051	100.0
940.46429	12.6
999.34247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95123	0.2
71.01408	0.1
73.02940	0.1
78.95914	3.8
79.95749	5.8
94.92525	0.1
96.96027	100.0
96.96902	3.1
97.95972	0.2
98.95621	0.1
101.02443	0.0
110.16893	0.0
122.06914	0.1
153.68248	0.0
193.97188	0.0
427.14774	0.1
487.34137	0.1
503.52463	0.0
572.09637	0.0
893.48297	0.1
991.46039	0.3
992.48486	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95916	0.1
70.96253	0.1
71.01385	0.1
78.95914	3.3
79.95747	6.0
85.02919	0.1
92.92842	0.1
94.92499	0.1
96.96024	100.0
96.96898	2.9
97.95967	0.2
121.69064	0.1
191.05634	0.1
214.91519	0.1
359.29016	0.1
455.35107	0.1
497.99887	0.1
616.14221	0.1
933.46893	0.2
993.48639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.3
71.56437	0.2
73.91824	0.1
73.96958	0.2
76.16341	0.2
84.95180	0.2
85.02966	0.3
87.00883	1.3
88.00418	1.2
88.01234	0.2
88.98815	100.0
89.02452	2.4
89.99149	0.3
96.96027	0.3
101.02461	0.2
105.11831	0.2
112.06714	0.1
115.25285	0.2
121.59756	0.2
140.88365	0.2
147.09248	0.2
151.61644	0.2
191.05655	0.3
212.84294	0.2
234.78470	0.2
249.05679	0.2
298.91150	0.2
361.29544	0.2
402.36395	0.2
499.38022	0.2
745.41284	0.2
796.13776	0.2
907.46588	1.3
908.47797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	61.7
85.02976	40.2
88.98853	23.4
89.02454	36.6
91.79594	13.7
96.96017	54.8
101.02465	39.5
113.02436	22.1
119.03482	14.8
165.05415	15.6
173.04550	15.2
181.05037	15.9
191.05623	63.8
196.07382	16.1
211.35603	14.1
213.29387	14.1
223.55922	14.7
223.66684	14.5
262.28171	13.9
392.17270	15.4
766.44983	50.0
767.45233	73.8
768.45056	100.0
799.35913	16.2
909.48810	18.4
910.49048	58.5
990.49005	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86474	41.7
71.01412	27.0
71.04980	22.4
76.83949	27.2
77.48002	24.7
81.11868	26.7
85.02957	28.2
184.79688	30.2
263.99899	25.7
264.23953	28.4
276.30444	30.9
300.01703	25.7
315.43570	25.3
325.02374	30.5
353.52274	27.1
373.28674	27.2
505.52121	27.4
510.97519	30.1
766.44342	75.3
767.45038	74.4
768.45056	100.0
926.30121	32.1
990.48688	39.6
991.46539	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	10.9
71.05561	3.3
72.99316	2.9
73.02946	2.6
78.95915	8.4
83.01405	2.5
85.02946	10.8
86.03276	1.8
87.00886	2.8
89.02449	4.0
93.03444	7.8
96.96017	16.2
96.96972	3.0
100.83951	1.7
101.02456	7.8
111.04465	2.0
111.35629	1.7
113.02437	5.5
114.02809	1.9
122.52433	1.9
128.01601	1.6
131.03500	6.4
133.02995	2.6
135.04567	3.7
150.03247	2.1
173.04550	3.9
179.03539	2.5
191.05682	8.0
213.23038	2.0
379.13358	1.7
400.26599	1.6
415.28354	2.0
416.28833	1.9
467.15707	4.0
518.86505	2.0
524.17450	1.6
694.40192	2.6
695.39160	3.7
696.39337	4.4
745.57220	2.0
767.44989	2.7
768.44781	3.5
826.43164	2.4
858.44202	3.1
927.50446	3.9
928.49652	8.2
929.50177	24.7
930.50543	100.0
931.50751	4.5
990.49359	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	990.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	22.8
72.01724	3.6
73.02975	6.3
78.95911	7.7
83.01373	5.2
85.02945	12.7
87.00865	3.1
89.02448	10.4
93.03471	9.4
95.01395	2.9
96.96031	20.3
98.20691	4.4
99.00897	2.3
101.02458	23.0
102.55934	2.3
109.02908	3.5
113.02461	8.2
131.03473	12.5
135.04549	5.3
139.79666	2.5
173.04544	7.7
191.05641	14.3
191.29738	2.2
196.07219	2.9
236.81445	2.4
416.28375	3.0
449.14322	7.3
450.14633	5.1
696.39905	3.7
703.45203	2.9
704.44879	6.4
705.44977	4.6
706.45526	7.8
747.44128	3.1
766.44409	3.5
768.45367	6.1
828.97253	2.8
832.65356	3.2
858.44885	7.9
866.49573	6.3
867.50519	8.1
868.50305	34.3
909.48914	3.6
928.50293	7.4
929.49982	22.2
930.32080	5.3
930.50677	100.0
931.50006	4.2
955.49396	3.2
990.48730	14.3
991.47516	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	988.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.5
70.30860	1.0
70.31190	0.3
71.01392	16.0
72.01725	2.5
72.99322	2.2
73.01746	0.7
73.02959	4.4
74.03261	0.6
78.95861	0.9
83.01402	4.3
84.01691	0.7
85.02959	11.8
86.00044	0.9
86.03293	2.3
87.00828	1.1
87.03356	0.5
87.04468	0.4
89.02449	5.2
90.02746	0.7
91.02842	0.3
95.01399	1.5
97.02905	0.4
99.00816	1.0
101.02456	17.1
102.02785	3.1
110.70486	0.3
112.01627	0.4
113.02467	5.2
114.02718	1.3
115.02821	0.6
119.03465	1.5
127.03925	0.3
131.03522	13.3
132.03856	3.5
133.03874	1.4
143.03391	0.4
161.04489	1.0
179.05617	0.6
277.62723	0.3
310.07748	0.4
329.33432	0.4
351.08191	0.3
386.27942	0.4
556.36975	1.0
557.37408	0.6
663.40283	0.5
702.43378	1.2
703.43469	2.1
704.43585	2.1
720.43341	0.8
721.44446	1.0
722.44550	1.3
764.42816	1.9
765.43561	3.7
766.43921	6.6
781.42670	0.5
782.43060	0.5
864.47681	0.7
865.48407	1.3
866.48602	3.8
883.49707	0.4
884.49628	1.7
925.47595	0.9
926.48584	5.8
927.48682	19.0
928.49011	100.0
929.49353	6.0
988.47620	30.1
989.48108	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	988.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99738	0.3
70.86448	0.6
70.86745	0.4
71.01387	15.5
72.01713	2.1
72.99327	2.0
73.01762	0.6
73.02951	4.5
75.00837	0.7
83.01396	4.0
84.01723	0.7
85.02956	11.3
86.00082	0.5
86.03301	1.9
87.00881	0.8
87.03370	0.6
88.01180	0.5
89.02447	5.8
90.02764	0.7
91.02872	0.5
95.01348	1.5
99.00822	1.3
100.01250	0.4
101.02448	16.7
102.02801	2.6
103.02832	1.5
107.01320	0.4
112.01682	0.4
113.02467	4.7
113.53167	0.4
114.02725	1.6
115.02832	0.5
119.03452	1.3
131.02563	0.6
131.03511	12.3
132.03842	2.7
133.03885	1.0
161.04538	1.0
237.70695	0.4
252.79346	0.4
301.07108	1.3
397.27429	1.3
398.27753	2.7
399.27994	1.4
400.28290	0.5
424.32980	0.8
531.32770	0.4
555.36987	0.7
555.44714	0.4
556.37048	1.1
557.37170	0.7
558.37579	1.0
602.37006	0.6
618.17975	0.4
701.42572	0.5
702.43054	0.7
703.43073	1.2
704.43329	1.7
746.41718	0.5
747.41565	0.6
748.42828	0.9
764.43066	3.2
765.43646	5.2
766.43671	8.4
780.42578	0.6
781.43079	0.5
782.43243	0.9
925.47424	1.1
926.48224	5.8
927.48657	20.7
928.48969	100.0
929.49030	6.0
988.47583	20.7
989.47876	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	987.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28605	4.9
71.01385	12.4
72.99306	1.6
73.02959	3.4
75.00886	0.5
75.79143	0.5
82.95422	1.9
83.01367	1.6
86.00085	0.7
87.00872	1.0
89.02455	7.0
92.86971	0.5
93.03462	1.9
95.01406	1.2
96.96010	1.4
99.04521	0.7
101.02460	11.2
103.04009	0.7
113.02458	5.2
119.03480	2.1
122.03721	1.0
131.03519	5.0
135.04553	1.3
136.01657	1.4
137.02422	1.1
143.03494	0.8
149.02510	0.9
149.04570	0.6
150.03207	3.3
151.00377	1.4
151.03967	1.6
161.04539	1.2
163.04027	0.9
163.68260	0.4
165.05592	2.9
166.02711	2.3
173.04533	2.7
179.03647	0.8
179.05588	1.5
180.04294	0.5
181.05110	3.2
191.05617	3.8
192.04225	0.7
192.05814	0.5
193.04987	0.8
195.06532	1.5
207.06636	0.7
209.58539	0.7
233.08167	0.7
233.41161	0.5
249.07654	0.7
251.09242	0.7
353.08795	0.9
367.10135	0.7
403.30078	0.6
405.31647	1.7
421.31039	0.8
437.30368	0.6
439.32062	1.0
449.14694	0.8
469.33224	1.7
529.26025	0.8
601.37482	0.9
603.39050	1.2
611.21051	1.1
613.19312	0.8
628.21826	0.7
629.22443	2.7
733.42560	0.7
747.43298	7.5
748.43945	0.6
765.44342	100.0
766.44623	13.2
807.44812	1.8
927.48541	4.0
928.50488	1.0
987.48645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68154	3.3
71.01389	11.3
71.05022	1.2
72.99297	1.7
73.02950	3.5
73.26527	0.6
83.01388	1.9
85.02965	6.6
86.00084	0.6
87.00887	1.3
89.02451	5.0
90.04987	0.5
93.03475	0.8
95.01381	1.8
96.96016	1.6
99.00873	0.9
99.04550	0.8
101.02448	10.2
112.01662	0.7
113.02451	5.5
115.04002	0.6
119.03499	1.8
131.03493	5.3
150.03255	0.9
155.64165	0.7
166.66548	0.5
173.04431	0.8
181.04948	0.7
191.05571	1.9
206.99489	0.6
373.27539	1.1
382.26306	0.6
415.28516	2.0
421.63104	0.6
424.54086	0.6
467.15250	0.6
469.33224	0.9
487.34583	2.8
547.33600	0.8
601.37451	1.1
619.38409	1.1
649.22528	0.6
653.16614	0.6
685.30383	0.6
693.38538	3.1
747.43286	1.3
763.42316	1.3
765.44305	10.2
766.44763	0.8
781.43805	1.0
807.42230	2.2
813.25488	0.7
847.48309	1.3
855.43420	1.1
860.87054	0.7
909.48834	1.2
927.49634	100.0
928.49976	16.3
987.48102	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	987.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01015	0.5
71.01389	8.5
71.05022	1.6
72.99301	1.1
73.02947	2.3
83.01389	3.0
85.02959	6.2
85.29363	0.3
87.00872	0.6
89.02460	3.1
95.01390	1.0
96.95988	0.5
97.02937	0.5
99.00881	0.7
101.02457	8.3
112.01681	0.7
113.01841	0.4
113.02467	4.1
119.03490	0.7
120.03828	0.3
131.03506	4.4
161.04503	0.5
179.56793	0.4
229.63721	0.4
254.35675	0.3
322.42645	0.4
334.83801	0.3
353.28275	0.4
371.29395	1.1
415.28525	5.3
415.33569	0.6
416.28687	0.4
431.14236	0.3
487.34238	1.2
529.31451	1.3
547.32471	1.9
619.38733	0.7
675.37280	0.4
693.38544	8.0
694.38452	0.7
709.25934	0.4
709.38257	1.2
747.44025	0.5
765.44373	3.9
766.45233	0.6
781.43091	0.8
855.44067	3.6
909.49884	0.4
927.49640	100.0
928.49939	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	987.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55036	2.8
69.84875	0.4
71.01385	9.0
71.05011	1.0
72.99315	0.9
73.02935	2.2
75.00881	0.5
83.01384	2.5
87.00848	0.6
88.98844	0.5
89.02456	2.3
95.01400	0.8
98.19931	0.9
99.00883	0.6
101.02453	7.5
113.02458	4.0
116.92877	0.7
119.03518	0.7
131.03505	1.5
147.20206	0.5
155.98752	0.4
161.04619	0.9
191.05650	1.2
216.35748	0.5
262.82031	0.5
264.60458	0.4
297.46237	0.4
301.07257	0.6
415.36102	0.4
471.34766	1.6
585.37677	2.2
603.39038	11.4
604.39111	1.1
765.44373	100.0
766.44745	12.4
807.45618	0.9
865.49689	0.8
912.49677	0.8
927.49487	14.4
928.49799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41577	1.6
69.41984	4.1
71.01382	12.8
72.99331	1.6
73.02954	1.8
75.00880	14.1
78.95907	1.3
83.01395	2.9
87.00888	1.3
88.98817	5.6
89.02444	6.1
95.01391	1.6
96.96022	3.4
97.02988	1.0
101.02461	7.8
113.02460	5.3
119.03497	1.1
121.02934	0.8
131.03503	2.9
131.47398	1.0
135.04460	1.1
161.02481	0.9
161.04570	1.0
173.04550	1.9
178.50615	0.8
191.05602	2.6
191.07217	1.0
224.89084	0.9
252.19846	0.8
290.75598	0.8
313.15680	0.9
423.32758	2.0
471.34927	10.7
472.35110	1.4
585.37695	2.2
603.39069	20.7
765.44336	100.0
766.44452	10.4
814.62561	1.0
883.51453	1.1
911.50073	2.8
912.50751	1.2
927.49042	14.5
928.50049	1.9
987.46503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27049	0.6
69.27451	2.3
71.01389	12.6
71.05036	0.4
72.99308	1.1
73.02958	2.4
78.95910	1.1
80.88671	0.3
83.01385	1.4
85.02957	5.6
85.50394	0.3
87.00862	0.8
89.02452	8.0
95.01392	1.6
96.96013	0.5
97.02915	0.4
97.76814	0.3
98.20709	0.7
99.00903	0.5
101.01804	0.5
101.02451	6.4
106.84402	0.4
113.02460	5.0
119.03508	1.7
131.03528	2.4
143.03540	0.5
161.04507	0.5
221.81125	0.4
383.94702	0.3
411.32779	0.5
421.31070	0.5
439.32291	1.9
444.34894	0.4
455.31610	1.1
469.33286	2.2
485.32678	0.9
487.34430	9.5
488.34262	0.8
583.36108	0.6
601.37329	3.3
619.38452	3.6
659.54834	0.4
747.43121	1.9
765.44324	16.0
766.44720	2.1
781.43622	5.3
782.44122	0.6
869.52991	0.3
927.49609	100.0
928.49976	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	987.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	3.7
71.32825	0.6
72.06410	0.3
72.99318	5.8
73.02954	1.3
75.00880	100.0
76.01205	0.6
82.90127	0.4
83.01404	0.6
85.02946	2.1
88.98820	2.7
89.02445	2.1
95.01382	0.5
96.96025	0.6
99.82611	0.4
101.02457	3.1
113.02468	1.8
119.03526	0.6
131.03522	1.3
140.45074	0.4
179.53551	0.4
191.05702	1.0
449.62241	0.4
457.33365	0.9
553.34912	0.5
561.35602	0.4
562.27814	0.4
571.37042	0.7
589.37561	2.6
735.43140	3.0
736.44165	0.7
749.44696	3.1
750.45184	1.0
765.44794	3.2
766.44684	0.4
783.65363	0.4
883.51294	0.9
897.48425	1.3
909.48364	0.5
927.49548	28.7
928.49951	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	987.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	23.3
71.56624	1.9
72.99307	2.9
73.02945	4.8
81.81498	1.3
83.01390	3.4
85.02957	17.3
87.00875	1.7
89.02457	14.7
93.03468	6.0
95.01411	2.1
96.96021	5.7
99.00869	1.5
99.87900	1.3
101.02457	20.2
113.02460	10.3
116.92905	1.7
119.03497	4.8
124.15536	1.3
131.03511	6.7
135.04527	2.5
136.05327	1.6
136.42747	1.4
146.03798	1.4
148.05281	1.4
150.03259	2.1
151.00381	1.7
161.04517	2.4
163.07492	1.4
165.05530	3.7
165.09357	1.4
166.02701	2.3
166.74370	1.3
173.04623	2.9
175.04001	1.4
179.03467	2.0
181.05049	3.0
191.05615	7.5
195.06615	2.3
204.11163	1.4
267.10318	1.3
449.14505	2.2
470.41672	1.5
487.34384	2.3
703.44299	11.3
704.43927	1.9
732.25977	1.6
747.42932	1.8
765.44574	13.4
789.46094	2.1
865.49860	21.9
896.20068	1.6
897.46832	1.8
927.49841	100.0
928.50153	11.9
987.46149	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	987.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29074	0.3
71.01014	0.7
71.01387	10.2
71.05023	0.4
72.99299	0.9
73.02954	3.1
79.10754	0.4
80.89326	0.4
83.01391	2.1
85.02957	7.1
86.00087	0.4
87.00870	0.7
89.02451	3.9
95.01392	1.3
96.96030	0.6
97.02930	0.6
99.00887	0.8
101.02448	7.7
112.01619	0.5
113.02465	4.1
119.03483	1.4
124.26694	0.4
131.03503	4.1
143.03517	0.5
161.04533	0.9
178.57230	0.4
179.32362	0.4
191.05635	1.2
220.65967	0.4
307.91241	0.4
373.27377	1.3
373.31799	0.5
449.14368	0.8
465.07043	0.4
469.33392	0.9
487.34543	3.1
601.37439	1.2
619.38605	1.6
685.43231	0.8
703.43884	0.8
747.43445	0.9
765.44324	13.5
766.44690	1.6
781.45184	1.7
807.45166	0.6
847.48297	1.1
865.49292	0.6
883.50714	0.5
891.61261	0.5
909.48010	2.9
927.49829	100.0
928.50177	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	987.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.5
71.01389	19.4
71.05020	1.1
71.12006	0.6
72.99298	2.1
73.02954	5.7
83.01397	5.5
85.02470	0.8
85.02959	14.5
86.00087	1.6
87.00888	1.2
89.02449	7.7
93.03448	0.7
95.01366	1.9
99.00883	1.2
101.02448	18.8
112.01679	1.1
113.02454	8.9
116.92851	0.9
119.03517	2.7
131.03516	13.9
150.03154	0.8
161.02342	0.8
161.04536	1.7
165.05577	0.8
174.79918	0.6
179.03513	0.8
179.05586	0.8
195.06673	0.7
209.08199	0.9
222.30309	0.6
229.87947	0.7
261.67853	0.6
371.29807	0.7
415.28552	5.9
423.32669	1.4
427.60068	0.6
529.31525	1.6
544.44196	0.6
547.32562	4.1
548.32690	0.6
557.38458	0.9
607.57635	0.7
675.37421	1.0
693.38367	5.9
703.44360	19.7
704.44641	2.0
709.37561	1.0
719.43445	1.2
721.45325	0.7
765.44147	9.0
766.45367	1.0
779.45160	0.8
807.45636	1.7
855.44067	10.2
856.44464	1.4
865.49524	38.2
866.49756	6.0
883.50061	1.1
909.47870	4.0
927.49640	100.0
928.49884	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.6
71.01390	11.7
71.05019	1.4
72.99312	1.5
73.02955	3.3
75.00877	0.7
77.33131	0.4
79.53004	0.4
83.01401	2.9
83.05031	1.0
85.02961	9.6
86.00104	0.8
87.00885	1.4
88.98805	0.6
89.02454	4.7
92.78914	0.3
93.03459	1.7
95.01370	1.5
96.96003	1.5
97.02932	0.9
99.00880	0.6
99.56445	0.4
101.02454	10.2
109.02982	0.4
111.04525	0.5
112.01698	0.6
113.02461	5.5
116.92849	0.6
119.03517	1.5
131.03503	5.2
135.04539	0.7
135.85352	0.4
137.02431	0.6
147.75592	0.4
150.03143	0.5
161.02419	0.5
161.04544	0.8
165.05576	0.6
173.04538	1.4
173.16464	0.4
179.03363	0.5
191.05638	2.3
207.06667	0.5
216.21342	0.4
267.06644	0.9
268.03717	0.4
280.30835	0.4
282.09140	0.9
283.06113	0.7
298.08371	0.8
313.10916	2.8
317.93027	0.4
371.29721	0.5
373.27451	1.4
415.28513	1.5
423.32693	1.1
439.32117	0.9
443.31723	0.7
449.14893	0.7
457.33167	1.2
469.33447	3.8
470.33408	0.6
529.31805	0.6
547.32849	0.8
571.35828	0.7
575.36212	0.7
583.36859	0.7
589.36664	0.7
601.37671	1.9
693.38977	2.2
703.44568	0.5
721.43121	0.7
735.43164	1.1
747.43091	3.7
763.43048	0.6
765.44196	18.2
766.44910	1.9
781.43243	1.5
807.45374	1.2
855.44073	0.9
865.49103	0.7
883.47168	1.1
909.48370	6.5
910.48895	1.1
927.49634	100.0
928.49933	15.2
928.64655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01015	0.7
71.01386	10.8
72.99306	1.4
73.02966	1.4
78.91896	11.9
83.01379	2.1
85.02967	6.5
87.00887	1.5
89.02452	8.5
95.01397	1.2
96.96017	0.6
98.19832	1.0
99.00871	0.8
101.02450	5.9
113.02460	5.9
114.90344	0.6
115.11622	0.6
119.03445	1.0
131.03493	1.9
136.88939	0.6
151.33670	0.6
161.04730	0.7
203.44759	0.7
208.46869	0.6
250.76540	0.7
333.57507	0.6
400.76111	0.6
437.30774	0.8
439.32236	2.0
469.33264	1.6
472.44382	0.6
485.32623	1.2
487.34439	9.8
488.34570	1.0
583.36261	1.1
601.37573	3.3
619.38519	4.7
747.43024	2.1
765.44318	23.8
766.44427	2.5
781.43756	5.5
927.49658	100.0
928.49982	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	15.7
72.99298	1.7
73.02953	2.7
78.91884	0.7
78.95901	1.1
83.01386	2.0
85.02958	7.7
86.25386	0.5
87.00881	1.6
88.98782	0.5
89.01938	0.9
89.02451	10.8
95.01392	2.3
96.96008	1.0
99.00892	0.5
99.60194	0.5
101.02454	7.1
113.02459	6.6
119.03490	2.1
128.95532	0.5
128.99841	0.4
131.03546	2.7
149.04492	0.6
159.03156	0.4
161.04529	0.7
179.05629	0.5
229.33597	0.5
250.02049	0.4
284.07581	0.5
316.01834	0.5
359.03897	0.5
391.30258	0.6
393.31693	1.7
394.14322	0.5
405.31549	1.5
411.32678	0.6
437.30817	0.7
439.32074	1.3
441.33701	0.8
469.33096	1.4
485.32730	0.7
487.34335	8.2
488.34598	0.6
601.37433	1.7
619.38757	2.9
633.89355	0.5
661.36102	0.7
723.91467	0.5
747.43610	3.7
765.44391	18.5
766.44470	2.2
781.44067	5.9
909.48035	1.0
927.49628	100.0
928.49939	15.8
987.42755	0.7
1008.40320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.3
69.51197	5.1
71.01389	51.2
72.01715	1.0
72.99313	5.7
73.02953	8.5
83.01400	6.1
84.02145	0.7
85.02956	32.1
87.00883	3.5
89.02449	34.2
93.03455	3.4
95.00861	1.1
95.01377	5.8
96.96006	3.1
97.03003	0.8
98.46010	0.7
99.04521	0.8
101.02452	32.6
108.02221	0.9
111.00896	0.9
111.04514	0.9
112.01659	1.0
112.28465	0.6
113.02462	34.4
119.03498	11.0
125.02467	1.9
129.01990	1.8
131.03506	4.9
133.02939	1.1
134.03731	2.1
135.04512	1.8
136.01649	2.0
137.02484	0.7
137.09700	2.3
138.03242	0.9
143.03481	3.6
149.02458	1.0
149.04613	3.5
150.03229	2.7
151.00346	1.1
151.04022	4.2
157.01422	2.5
161.02486	0.9
161.04584	7.4
165.05553	2.5
166.02724	2.4
173.04588	2.2
178.02663	0.8
179.05573	6.4
181.05083	2.9
191.05647	6.6
193.05211	0.9
195.06651	1.9
203.05565	0.8
221.06679	1.3
275.09146	1.0
403.13821	1.5
411.20279	1.7
431.13467	0.9
437.30493	0.8
437.52432	0.9
467.15710	0.9
531.28052	2.5
565.18121	0.8
581.20691	1.5
583.36414	2.4
600.45148	0.8
601.37378	7.6
611.21106	1.5
629.22272	3.6
645.36395	7.8
694.77643	0.7
747.43671	5.1
765.44257	17.8
766.44617	2.1
807.41760	35.0
808.42474	2.9
848.90405	0.9
887.09937	0.8
927.49231	11.3
928.49738	1.5
987.48236	100.0
988.48621	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	986.457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59516	12.9
71.01389	17.6
72.99316	6.8
73.02942	3.6
75.00875	2.3
80.58433	2.2
83.01395	2.4
85.02964	8.6
86.03267	2.7
88.98816	12.8
89.02455	5.9
94.17902	2.1
96.96005	3.7
101.02444	12.4
102.02817	3.4
113.02458	5.6
120.03781	2.0
125.50156	1.8
131.03494	7.0
191.05620	2.5
355.22421	1.7
359.47507	2.3
401.26941	3.4
402.27283	5.3
403.27277	2.8
583.39551	2.2
762.41058	4.7
763.41821	7.2
764.42224	13.0
911.49487	2.9
924.45844	7.4
925.47266	26.8
926.47467	100.0
927.47803	4.1
935.10175	2.2
982.74585	2.7
986.45972	39.5
987.46777	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	985.6636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.3
71.56125	0.3
72.19596	0.2
96.96038	0.2
101.02464	0.2
109.49429	0.2
139.04904	0.2
180.46242	0.2
191.05630	0.2
246.88785	0.2
249.24336	0.2
253.09360	0.2
259.65103	0.2
263.19913	0.3
277.21643	2.2
316.74585	0.2
405.31912	0.3
409.31247	0.6
427.32254	0.7
431.65549	0.2
469.33643	1.8
470.33710	2.8
471.34940	100.0
472.35294	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	985.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68143	0.2
71.01390	15.8
72.99313	1.8
73.02956	5.1
75.00859	0.3
75.73243	0.2
81.03492	0.3
83.01398	4.6
85.02962	13.3
86.00095	0.7
87.00879	0.8
87.04508	0.4
89.02457	7.1
89.03015	0.4
95.01408	1.5
97.02961	0.7
99.00897	1.4
101.02457	18.9
102.02792	0.2
103.04015	1.7
112.01673	0.7
113.02464	6.7
119.03540	2.2
131.03517	15.0
132.03841	0.4
143.03531	0.4
145.05061	0.3
159.03032	0.3
161.04558	1.0
176.61284	0.2
209.82610	0.2
229.63109	0.3
239.06447	0.2
266.32343	0.2
385.27560	0.6
421.31064	0.3
423.32489	0.5
485.32874	0.6
515.33728	0.7
519.34290	0.3
555.36975	1.2
573.37805	0.4
599.35834	0.4
661.39679	0.6
701.42841	3.6
702.43420	0.6
717.42218	0.2
719.44098	2.0
763.42773	8.0
764.43237	1.2
779.42401	0.8
781.43524	0.3
863.48065	3.8
864.49091	0.5
881.49084	2.1
882.49707	0.3
925.48102	100.0
926.48407	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	985.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01191	2.8
71.01388	16.3
72.99310	2.2
73.02963	5.4
83.01407	4.2
85.02961	13.4
87.00890	1.2
89.02450	6.2
95.01409	1.9
97.02982	1.0
99.00902	1.5
101.02454	19.2
103.04005	2.1
113.02452	6.4
119.03513	2.4
131.03523	15.1
143.03580	0.9
144.36029	0.5
166.43752	0.6
192.19666	0.6
293.90335	0.6
397.27499	4.1
398.27762	1.0
423.32715	1.8
544.90973	0.7
555.36938	2.5
599.35852	1.6
701.42804	4.0
702.44354	0.8
763.42664	12.1
764.42932	1.0
779.42181	1.3
925.48096	100.0
926.48431	15.5
962.39771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.4
69.38338	2.1
69.38757	0.9
71.01389	15.6
71.01785	0.8
72.99311	2.1
73.02951	4.4
83.01402	3.6
85.02960	10.7
86.00095	0.6
87.00876	1.3
89.02453	6.2
95.01386	1.4
96.96020	0.7
97.02948	0.5
99.00893	1.6
101.02452	15.0
103.03993	1.4
112.01649	0.5
113.02457	6.9
116.92893	0.4
119.03498	2.0
131.03516	10.1
137.02455	0.4
139.29192	0.3
143.03497	0.8
150.03241	0.5
159.02968	0.4
161.04533	0.9
165.05501	0.4
191.05649	0.5
207.06682	0.5
214.34526	0.3
215.02609	0.4
403.30090	0.8
421.31235	0.5
423.28699	0.4
423.32898	4.5
425.30746	1.0
437.30649	0.4
471.34995	0.5
485.32938	0.5
537.35950	1.1
555.36841	1.6
581.35065	0.7
617.37115	0.6
701.42682	0.8
719.43945	1.1
749.45282	0.5
763.42786	13.9
764.42834	2.1
765.43542	0.7
779.42407	1.5
881.49194	0.6
904.50128	0.9
904.99799	1.0
925.48096	100.0
926.48486	13.9
927.84741	0.5
973.61420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.9
71.01389	20.6
71.55461	0.7
72.99313	2.0
73.02950	2.0
75.00889	0.7
78.95898	1.1
81.03445	1.2
83.01395	1.5
83.05030	1.3
85.02959	4.8
87.00891	3.8
89.02459	19.3
93.03455	0.7
95.01398	2.0
95.05027	1.4
96.96024	5.0
97.02955	3.0
97.06618	1.1
97.62027	0.6
98.95623	0.7
99.00889	1.2
101.02454	15.5
108.79829	0.7
111.08170	8.3
113.02462	8.2
113.09705	1.0
118.64907	0.6
119.03495	5.3
120.30403	0.6
123.08212	0.7
125.02479	4.8
125.09718	0.7
127.95270	0.7
131.03531	1.3
142.76353	0.6
143.03523	2.6
149.04572	1.0
149.09732	0.7
161.04570	3.4
167.10794	2.2
171.10262	1.4
177.12868	2.5
179.05630	5.8
179.10794	1.4
179.14352	1.0
195.12292	1.2
195.13930	11.9
201.11378	0.9
211.13411	1.1
221.06628	2.5
223.13371	6.0
225.14908	0.8
231.94398	0.5
235.08325	4.0
247.20705	2.0
253.09346	1.0
256.13315	1.6
273.18805	1.5
275.20166	5.8
277.21719	2.5
280.90533	0.6
287.07660	1.2
289.18152	0.8
291.19693	88.4
292.20038	4.9
293.21265	100.0
294.21594	5.7
309.20886	1.4
325.20145	3.4
379.12424	1.3
397.13550	29.5
398.13794	1.5
415.14636	14.8
416.14706	0.8
689.33490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.2
69.28263	1.8
69.28692	1.9
71.01390	17.1
72.12663	0.4
72.40110	0.4
72.99331	2.1
73.02956	5.4
83.01395	3.6
85.02454	0.7
85.02963	12.0
86.00094	0.4
87.00877	1.1
89.02459	7.9
93.03465	0.7
95.01379	2.0
96.96015	2.1
97.02952	0.7
99.00877	1.2
101.02451	15.6
103.04015	1.5
113.02457	6.9
119.03485	2.4
120.26364	0.4
131.03520	9.5
135.04543	0.4
143.03517	0.8
161.04556	0.8
179.05632	0.6
191.05536	1.5
393.28336	0.9
395.29626	2.1
405.28046	1.9
421.31613	3.2
422.31198	0.5
423.23514	0.8
423.29089	15.7
424.29498	1.5
426.27081	0.4
449.14722	0.8
455.27994	0.8
555.33362	2.6
571.36316	0.8
615.35419	0.5
673.86066	0.4
717.41571	2.8
761.41315	17.6
762.41571	1.5
777.40637	1.2
879.47552	4.9
923.46515	100.0
924.46881	14.5
983.44495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.5
71.01386	15.3
72.99321	2.1
73.02943	4.1
83.01395	3.0
85.02961	9.6
86.00111	0.7
87.00892	1.1
89.02451	6.8
95.01402	1.3
97.02915	0.8
99.00888	1.1
101.02447	13.3
103.03992	1.5
105.19019	0.3
112.01671	0.3
113.02464	5.7
119.03535	2.4
124.85211	0.3
127.04027	0.5
131.03514	8.0
143.03566	0.4
161.04486	0.7
165.09256	1.6
172.05531	0.3
179.05615	0.5
327.23239	0.5
345.24359	1.6
353.24866	0.4
367.26413	1.3
369.28018	1.0
383.25729	0.9
399.25296	0.4
401.26974	13.2
402.27155	1.1
421.31018	1.3
421.36484	0.3
439.32181	1.2
471.31311	0.6
483.31021	2.9
501.31958	0.6
533.31573	2.4
553.36505	0.4
567.00647	0.4
571.36163	0.6
579.33026	0.7
615.35535	0.7
717.42126	2.2
722.29022	0.4
731.21307	0.4
761.41223	17.4
762.41595	2.1
777.40814	1.3
879.47406	0.4
923.46497	100.0
924.46796	14.1
924.65570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68388	1.0
69.68792	0.8
79.27301	0.3
80.21218	0.4
87.00883	1.0
88.00399	1.1
88.98812	100.0
89.02441	2.8
89.99167	0.6
96.96011	1.4
167.19206	0.3
167.77673	0.3
191.05681	0.8
558.20135	0.3
590.86121	0.4
597.75781	0.3
893.30487	0.3
893.47662	1.7
902.51740	0.5
909.39490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99567	0.3
69.03477	0.2
71.01385	1.5
73.02950	0.2
76.90503	0.2
78.95908	4.6
79.95740	6.2
85.02959	0.4
86.22672	0.2
87.00868	0.4
89.02448	1.2
93.03433	0.2
93.33128	0.1
94.92518	0.7
95.01366	0.2
96.92223	0.4
96.96016	100.0
96.96899	4.2
97.02940	0.4
97.06612	0.2
98.19922	0.5
100.31962	0.1
101.02432	0.8
101.98072	0.1
111.08155	0.4
112.48142	0.2
112.98572	0.3
113.02454	0.6
119.03532	0.4
125.02457	0.5
138.04686	0.1
159.76701	0.2
161.04576	0.3
165.12834	0.2
169.12373	0.2
171.10229	0.3
173.04584	0.3
179.05582	0.4
195.13908	0.5
197.11827	1.7
199.13467	0.2
209.11812	0.6
211.13538	0.2
223.13426	0.3
229.33638	0.2
235.08269	0.4
265.07632	0.2
275.20178	0.5
277.21762	0.5
289.18176	0.3
291.19702	1.3
293.21231	7.2
294.21613	0.3
305.08905	0.3
309.20724	5.5
310.21118	0.2
379.12399	0.2
388.62656	0.1
397.13486	2.5
415.14597	1.5
435.08273	0.2
440.40311	0.2
467.96951	0.2
585.42035	0.3
671.40009	0.2
691.35266	0.3
877.38776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.3
71.01389	100.0
71.57190	2.5
72.99314	2.5
73.02951	20.8
75.00906	1.4
81.03471	1.2
83.01392	12.3
85.02959	46.2
87.00893	4.8
89.02452	60.5
95.01407	7.2
97.02985	3.4
99.00869	8.5
101.02452	68.3
105.22331	1.3
111.57442	1.8
113.02458	46.4
114.02824	1.6
118.38172	1.2
119.03510	24.9
125.02438	3.1
131.03511	3.1
134.38850	1.4
140.23524	1.2
143.03516	9.2
147.97256	1.2
149.04582	3.1
159.03003	5.0
161.04559	30.3
173.04645	2.8
179.05623	25.7
191.05685	3.3
211.16994	6.5
255.10265	2.2
283.09735	11.2
295.09775	2.1
311.09274	23.5
314.04382	1.4
325.10852	3.8
326.11618	18.3
341.13947	28.6
342.14236	1.7
355.21335	2.7
373.22321	68.8
374.22528	3.0
394.54944	1.4
415.23416	63.6
416.23581	3.8
477.10098	2.6
480.82953	1.2
521.33026	2.0
572.27960	1.4
690.81299	1.2
769.73938	1.5
875.62073	1.5
981.48566	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	979.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	7.1
72.99266	0.9
73.02950	1.5
83.01357	0.9
85.02966	3.4
87.00838	1.4
89.02449	4.9
93.03462	3.9
95.01383	1.1
96.95980	1.7
99.00851	1.1
101.02457	5.2
113.02412	2.9
119.03536	0.8
131.03439	1.4
131.62608	0.6
135.04509	1.7
161.04457	1.1
165.05498	0.9
173.04495	2.5
191.05524	3.0
229.22885	0.8
275.09149	0.9
340.98822	0.7
439.31750	1.0
449.14594	3.4
469.33176	0.8
487.34241	3.5
544.98633	0.8
601.37537	2.5
619.38452	8.5
620.38446	1.8
781.43848	100.0
782.44171	12.2
817.41858	3.3
823.45233	0.9
943.49786	2.0
979.46857	73.2
980.47192	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	979.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65211	0.5
71.01385	1.7
71.57385	0.5
73.02975	0.6
76.45446	0.5
77.73945	0.6
83.01357	0.5
85.02946	0.6
89.02460	0.8
93.03447	1.3
96.96013	0.6
101.02459	1.4
107.01424	0.6
113.02432	0.6
119.03542	0.6
135.04533	1.3
149.04553	0.5
151.00375	2.5
161.02457	1.0
165.01872	0.6
173.04568	1.7
178.99777	0.6
179.03523	1.2
179.10750	0.6
191.05614	3.8
199.04002	1.4
201.01933	0.8
203.03616	0.7
204.04240	0.6
215.03543	1.3
227.03587	2.7
242.02257	4.4
243.02994	22.7
244.03279	1.0
255.02982	0.9
257.04553	5.1
270.01733	6.1
271.02502	20.4
271.05463	1.1
272.02948	1.1
284.03339	1.2
285.04083	13.8
286.04788	4.7
299.02020	5.0
300.02655	3.1
314.04364	41.1
315.05072	7.0
353.08844	2.0
357.06317	0.7
447.09439	1.9
477.10416	100.0
478.10696	8.5
546.50592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	16.5
71.56718	1.8
73.02942	3.4
78.95912	4.9
80.62509	1.8
82.89098	1.6
85.02964	9.5
87.00908	2.2
88.81261	1.6
89.02452	5.1
93.03477	8.5
95.01374	2.3
96.96019	42.0
96.96961	3.3
98.95604	2.1
99.00837	1.9
101.02435	10.3
113.02399	4.2
120.74691	1.6
132.79077	1.5
135.04587	3.4
140.24271	1.6
150.03358	1.5
161.04527	2.2
173.04597	4.5
181.04994	1.6
191.05617	13.2
194.12581	1.6
222.01892	2.2
457.24649	2.8
471.35352	2.4
585.38165	2.5
647.38165	1.9
748.03809	2.1
749.44318	7.8
765.43591	2.7
766.44897	3.2
779.45868	100.0
780.45831	14.6
815.44525	2.7
893.69757	2.0
911.50476	2.2
977.49060	67.8
978.02686	2.4
978.48889	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	977.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.5
71.01389	83.2
72.81191	0.6
72.99321	3.4
73.02954	100.0
74.03262	0.7
75.00867	2.1
83.01395	33.5
85.02963	12.3
87.00910	2.9
89.02454	15.7
95.01418	3.3
97.02949	1.3
99.00898	2.4
99.04502	0.8
101.02455	97.1
105.81453	0.6
111.00889	1.0
113.02464	34.4
119.03521	13.1
125.02439	3.8
131.03517	11.3
143.02441	0.9
143.03519	12.5
147.02934	0.8
149.03371	1.2
149.04567	23.2
155.03555	3.0
159.02963	0.9
161.04573	38.3
173.09705	2.1
189.12863	27.8
190.13174	1.0
191.05626	1.9
201.94467	0.6
203.05626	5.2
221.06696	14.8
229.18106	1.4
232.37448	0.7
256.12192	0.6
323.34607	0.7
359.27914	0.9
391.23468	0.7
521.33337	40.2
522.33777	3.2
959.47369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55607	1.8
70.55968	0.7
71.01020	0.8
71.01390	14.0
72.99298	1.3
73.02949	5.5
83.01395	4.0
85.02961	7.6
87.00858	0.7
89.02449	5.8
93.03471	1.4
95.01424	0.7
96.96028	1.2
99.00869	0.8
101.02450	13.2
103.04015	1.1
113.02466	6.2
115.57215	0.8
119.03502	2.2
131.03517	9.4
135.04510	0.9
143.03502	1.0
149.02461	1.0
149.04518	1.1
150.03244	0.9
161.04553	2.3
165.05569	1.1
173.04492	1.1
191.05608	3.5
195.06531	0.9
203.05624	1.7
207.13847	1.2
333.15106	0.7
521.33289	1.0
571.36694	1.1
680.40283	0.8
717.42065	2.6
779.42261	2.0
860.19922	0.8
879.48322	0.9
941.47534	26.0
942.47864	3.7
977.45215	100.0
978.45459	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	977.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31718	9.2
71.01378	8.7
72.99319	1.2
73.02951	4.2
75.94249	1.2
78.95915	3.7
79.95746	5.1
83.01382	1.7
85.02963	8.7
87.00886	3.6
89.02460	2.8
93.03478	5.6
95.01399	1.2
96.96021	80.3
96.96985	2.4
97.95999	1.1
98.95589	5.2
99.00887	2.1
101.02435	7.7
104.98841	1.3
111.04511	2.3
113.02466	3.8
131.03496	1.5
135.04543	3.0
151.00343	1.6
173.04587	3.5
191.05620	11.7
197.39931	1.2
449.14584	3.9
453.34015	3.3
523.79492	1.3
591.05566	1.4
779.45917	100.0
780.46216	13.6
802.39618	1.3
815.43970	4.1
854.47174	1.8
925.47040	1.4
927.48865	1.7
941.48334	2.2
977.48792	61.7
978.49011	8.4
990.51367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	50.4
73.02937	16.9
79.71068	12.7
85.02956	40.6
86.03294	17.6
88.98835	21.5
89.02476	24.9
96.95994	54.0
101.02452	41.6
113.02433	35.7
125.78641	13.2
131.03551	24.9
140.46849	11.6
161.04616	11.8
191.05673	58.3
192.06013	13.8
308.47043	13.3
356.05698	12.6
368.91272	13.6
441.30728	17.6
453.80917	13.6
611.20154	14.6
688.30072	14.6
738.00079	15.8
849.50195	28.0
893.49030	30.4
893.99359	20.9
905.51776	15.7
913.53021	20.2
914.53174	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	975.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.4
69.43615	4.1
69.44028	2.7
71.01395	8.5
73.02952	2.8
83.01389	1.2
83.05018	1.3
85.02962	8.7
87.00890	2.3
89.02457	3.2
93.03473	19.7
96.96035	2.1
99.04566	1.3
101.02470	5.9
102.29124	0.9
107.05028	1.0
109.02969	2.0
111.00901	1.3
111.04535	5.9
113.02448	4.1
119.03516	1.1
133.02969	6.6
134.03740	2.8
135.04541	59.9
137.02473	5.7
143.03500	1.2
149.04506	1.2
151.00365	1.1
151.07635	1.8
155.03523	4.2
161.02441	6.8
161.04533	2.9
173.04559	84.4
174.04935	4.3
177.01909	2.4
178.02376	1.1
179.03506	62.5
180.03900	2.1
191.05624	61.5
192.05939	1.9
203.03448	3.4
271.02554	1.7
290.61966	0.8
299.01901	2.9
299.05298	1.4
300.02621	1.3
317.06595	1.4
335.07813	2.5
351.07196	5.1
352.07599	3.1
353.08795	100.0
354.09167	4.7
367.78122	0.9
373.22339	2.4
374.22696	1.3
415.23395	5.4
416.23602	1.1
475.06592	2.9
515.11969	56.4
515.32306	2.0
516.12341	4.8
757.19452	1.2
783.17871	3.1
801.18237	1.4
803.97009	1.0
975.49133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61450	95.6
70.82372	12.9
98.19991	28.4
349.78333	13.1
750.45947	18.6
751.45734	74.5
752.45660	100.0
836.40753	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60960	21.3
70.61312	15.3
71.01392	10.6
89.02427	10.8
147.05289	10.5
168.00056	9.5
251.17960	10.8
382.57379	10.7
428.15625	9.9
456.77615	9.8
677.37354	9.3
749.44562	11.4
750.45135	43.4
751.45532	85.1
752.45520	100.0
914.48651	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.6
75.81247	9.0
83.27312	11.5
89.02437	14.3
98.19897	37.7
104.24721	10.2
106.47015	11.8
206.54463	9.9
267.25864	10.4
780.45978	12.4
891.50507	12.3
913.50421	49.9
914.51105	100.0
974.48999	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10249	4.8
70.10642	4.6
71.01400	12.1
73.02940	4.7
74.32548	2.0
77.14694	1.9
83.01417	2.5
85.02951	8.4
89.02441	6.0
96.95992	6.4
97.04167	2.0
98.20570	3.2
101.02448	8.4
104.95972	1.9
110.15456	1.9
113.02464	5.0
131.03476	3.6
148.24185	2.0
173.54210	2.1
249.98711	1.9
472.34998	2.7
473.35666	3.0
556.16754	2.2
750.45343	3.8
751.46057	4.2
752.45776	9.3
911.51526	3.4
912.50812	8.7
913.50500	32.5
914.51025	100.0
915.52484	2.9
974.50061	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	974.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10663	25.4
84.09971	9.6
138.59775	9.8
142.74756	11.9
150.00407	11.9
199.59723	10.7
242.47595	10.5
485.34375	11.7
752.44696	18.0
911.50098	10.9
914.51483	100.0
932.34106	11.5
974.49579	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41113	1.1
69.41533	2.1
71.01392	0.5
79.81895	0.4
79.93120	0.3
83.83556	0.3
85.02956	0.3
89.02451	0.8
93.03453	0.6
95.05019	0.4
96.96008	0.4
107.05051	0.6
108.02191	0.5
109.02979	2.9
109.06591	2.0
119.05046	2.1
121.02972	4.2
122.03738	1.4
124.01654	3.0
125.02440	1.3
134.03767	1.4
135.04538	8.3
136.05341	2.0
137.02521	0.5
137.06094	15.5
138.06488	0.4
150.03252	2.4
151.04021	5.6
154.02710	0.4
163.00137	2.4
168.05606	0.3
177.01915	0.5
181.05078	38.1
182.05412	1.5
189.01717	3.8
191.03336	1.9
191.05605	0.8
203.03275	100.0
204.03575	3.0
207.37132	0.4
245.04289	0.9
263.04037	0.8
293.08963	0.6
475.14597	46.0
476.14810	3.4
497.12772	25.7
498.13077	1.6
960.18829	0.4
973.27979	3.0
974.29230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56448	0.6
71.01385	7.4
72.99313	0.9
73.02944	1.7
74.13392	0.5
74.53819	0.6
83.01400	1.9
85.02962	5.7
86.00072	0.6
87.00876	0.8
89.02449	3.6
95.01405	0.8
98.19881	1.4
101.02473	5.8
102.04565	0.6
112.01645	0.6
113.02441	2.5
119.03432	1.0
131.03497	1.8
208.59862	0.6
246.29170	0.5
252.69670	0.6
267.85233	0.7
336.65353	0.7
453.33856	1.2
471.34756	6.4
472.34882	0.6
565.31287	0.6
585.38141	2.0
600.07745	0.6
603.38904	3.5
731.44366	0.8
735.79791	0.7
749.44910	22.7
750.45264	2.9
765.43872	2.0
911.50134	100.0
912.50391	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	971.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	3.4
72.99310	0.5
73.02966	1.1
83.01381	0.9
85.02953	3.5
86.00094	0.7
87.00889	0.3
88.98779	0.3
89.02451	1.4
93.03445	0.3
95.01367	0.3
96.95998	0.5
98.19885	0.5
101.02461	3.2
103.04001	0.6
113.02453	1.2
119.03486	0.4
131.03537	2.5
134.49962	0.2
145.11682	0.2
161.04564	0.3
163.71011	0.2
167.51575	0.2
176.45944	0.2
191.05624	0.6
261.68600	0.2
331.58826	0.2
352.99216	0.2
453.33810	1.8
454.34009	0.4
471.35052	0.3
485.32535	1.2
543.36469	0.3
585.38116	0.6
731.44379	0.8
749.44830	100.0
750.45166	12.1
791.45874	2.0
911.50159	6.1
912.49768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	7.2
72.99324	1.1
73.02946	2.2
75.40396	0.5
83.01390	1.8
85.02960	5.2
87.00883	0.5
89.02460	3.7
95.01379	1.0
97.02917	0.7
98.20695	0.8
98.32774	0.4
99.00872	1.0
101.02463	5.8
112.01775	0.4
113.02465	3.9
119.03539	0.7
122.60902	0.5
131.03508	1.6
161.04620	0.6
251.63995	0.5
453.33759	1.9
471.34814	7.4
472.35413	0.8
567.36603	0.5
585.37921	1.8
603.38885	2.6
731.45062	0.6
749.44836	23.0
750.45728	2.9
765.44263	1.2
841.93359	0.5
860.46521	0.5
893.51770	0.6
911.50140	100.0
912.50452	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54533	1.2
69.54927	3.5
71.01380	9.2
72.99308	0.6
73.02936	3.2
83.01385	1.9
83.97768	0.6
85.02958	6.7
89.02474	3.2
95.01374	1.7
97.02966	0.7
99.00901	0.8
101.02449	8.0
103.03968	1.1
113.02434	4.6
116.92885	0.7
119.03460	1.1
131.03510	5.0
142.97580	0.7
161.04553	0.9
206.13373	0.8
217.08470	0.6
372.82916	0.6
453.33633	0.9
471.00687	0.6
471.34836	18.4
472.35297	1.5
585.38232	2.9
603.39166	6.6
701.36621	0.7
731.43683	2.2
749.44818	100.0
750.45215	15.1
765.44733	1.2
791.45905	2.5
911.50177	77.3
912.50568	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	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47391	1.9
69.47787	3.0
70.03186	0.7
71.01382	9.1
72.99317	3.6
73.02953	1.5
75.00883	22.1
83.01378	1.3
85.02959	13.6
87.00396	0.8
87.00883	4.6
88.40297	0.8
89.02441	5.5
93.03465	8.9
96.96012	2.0
99.00890	1.5
101.02480	4.3
111.00875	1.0
111.04593	0.8
113.02453	8.4
115.00350	0.9
116.92890	0.8
117.01935	1.4
119.03499	1.9
123.04507	0.8
131.03510	2.2
133.02960	1.7
134.03806	1.5
135.04521	2.0
137.02486	0.7
149.02419	1.1
150.03224	3.2
151.04140	1.0
161.02477	2.7
161.04526	1.1
162.03207	1.5
165.01945	1.4
165.05579	3.2
166.02666	1.0
167.80821	0.7
173.04543	6.2
175.04097	0.8
177.05565	1.6
179.03459	1.9
179.05634	1.1
180.04347	0.9
181.05127	1.6
191.05605	5.5
193.05051	0.9
195.06624	3.6
225.07672	3.3
303.97919	0.8
366.85443	0.7
387.14246	0.9
449.14691	8.0
456.73819	0.8
467.15500	1.5
471.34821	14.1
472.34808	0.9
567.51837	0.8
585.38336	4.0
603.38739	1.1
607.60333	1.0
611.21118	1.0
612.21063	1.8
628.08508	0.9
629.37024	1.0
647.38037	38.4
648.38123	4.3
749.43463	1.2
809.43256	1.9
911.49664	8.3
971.48773	100.0
972.49084	17.6
1003.77039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	24.5
72.99304	3.1
73.02948	9.5
74.42463	3.5
75.00878	3.3
80.63975	3.1
83.01402	5.2
85.02950	16.9
87.00900	5.2
88.98815	15.8
89.02448	13.3
95.01349	3.3
101.02454	25.2
113.02465	10.9
119.03518	3.2
131.03548	19.5
132.63896	3.1
191.05586	5.4
229.48196	3.6
244.26505	3.4
246.41382	3.4
249.31894	3.7
490.73715	3.6
662.78442	3.5
701.42480	5.5
749.44818	34.0
750.44849	4.6
763.42871	12.0
813.03955	3.9
911.48907	12.1
925.48035	100.0
926.48474	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	24.6
72.99303	4.3
73.02953	4.8
80.07707	1.0
81.86940	1.2
83.01387	4.0
85.02962	15.5
87.00881	3.7
88.98820	19.3
89.02451	12.1
95.01373	2.9
96.81527	1.1
96.96033	2.3
101.02458	23.8
103.04023	2.3
113.02470	7.8
119.03513	3.9
125.73678	1.2
131.03531	15.4
134.03729	2.0
144.71069	1.2
149.06125	1.3
191.05579	1.4
229.79097	1.6
237.54427	1.2
301.07257	5.5
397.27585	5.8
423.32629	1.7
471.34659	1.2
472.13458	1.1
555.36951	2.1
701.42133	3.0
719.43103	1.9
749.44849	30.0
750.45526	4.5
763.42773	12.5
764.43121	2.8
779.44049	1.5
791.44641	2.1
798.89850	1.3
911.49554	13.3
912.50494	2.3
925.48035	100.0
926.48444	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	971.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20998	11.3
71.01389	29.6
72.99314	4.0
73.02950	3.1
75.00880	2.5
83.01401	2.3
85.02962	13.7
85.15700	1.2
87.00896	5.1
89.02451	23.4
93.03466	20.4
95.01398	4.6
96.96033	4.3
97.02942	1.2
99.00912	4.2
101.02444	17.3
108.02191	1.5
109.02982	2.2
111.04538	2.5
113.02462	10.7
119.03516	8.7
121.02966	6.2
122.03754	13.8
123.04534	1.1
124.01662	1.3
125.02368	1.3
131.03519	4.1
133.02963	3.7
134.03760	5.5
135.04535	4.2
136.01675	13.3
137.02461	5.8
143.03499	1.1
145.02966	3.0
146.03745	2.2
147.04469	2.2
149.02446	23.4
149.06105	2.9
150.03238	100.0
151.00366	3.4
151.04036	15.9
152.04799	1.9
152.36699	1.2
153.05502	1.7
161.02417	3.5
161.04552	2.1
161.06094	1.3
162.03271	7.4
164.04808	5.4
165.01953	3.9
165.05583	94.2
166.02713	7.2
167.03401	1.2
173.04572	9.1
175.04039	1.9
177.01953	11.5
177.05574	3.0
178.02681	1.2
179.03535	3.2
179.05620	6.3
179.07169	5.1
180.04271	10.3
181.05101	7.1
189.01721	1.0
191.05627	8.8
192.04372	5.2
192.05867	1.3
195.06639	80.7
196.06914	2.1
199.18561	1.0
205.05080	2.4
207.06671	8.1
210.05493	1.4
219.06540	2.0
220.07539	1.6
225.07716	6.8
275.09207	4.4
282.05252	1.2
287.23419	1.0
300.82846	1.4
329.10355	1.4
357.09708	2.5
372.12250	1.6
373.12881	3.3
376.71252	1.2
387.14316	8.4
403.14294	2.0
417.15381	2.5
421.14960	2.2
449.14609	16.5
450.15201	1.6
471.34909	12.1
535.18201	6.4
565.20862	13.8
566.21185	1.5
577.21100	2.0
583.20520	6.5
585.37640	2.9
595.22046	14.0
603.39502	2.7
629.36572	1.4
630.36542	1.2
649.22583	1.7
713.26788	1.4
743.26874	5.3
748.43506	2.5
749.44141	11.1
761.28394	4.6
762.30005	1.7
773.28284	1.7
791.28949	5.4
809.43073	1.8
822.62152	1.4
844.99622	1.2
911.49677	44.5
912.49377	5.2
971.48767	24.2
972.48853	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	971.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49265	3.0
69.49696	3.3
71.01384	3.8
73.02950	1.4
75.00840	1.0
81.03478	1.0
83.01405	1.8
83.47070	0.8
85.02952	1.4
89.02472	2.2
91.63947	0.8
93.03465	2.5
96.96028	5.3
99.04530	7.7
101.02444	8.5
113.02442	2.2
121.02982	2.2
122.03701	1.2
125.02471	8.5
130.73996	0.9
133.02982	1.8
135.04526	2.2
136.01645	2.5
136.05363	1.2
137.02475	1.4
139.04004	0.9
143.04968	1.0
147.04488	1.8
149.02412	1.7
150.03226	4.5
151.04001	2.4
158.03687	2.1
159.04515	7.5
160.05307	26.1
161.04620	2.3
161.06046	6.7
163.03990	5.4
163.86369	0.9
164.04781	3.7
173.04518	2.5
173.06096	3.6
175.07664	20.4
177.05634	7.2
178.06392	6.9
191.05638	7.7
193.08699	2.7
213.21751	1.0
255.02919	1.5
264.01450	1.0
271.02466	3.8
300.02835	7.8
301.03375	4.1
304.33545	0.9
329.13959	100.0
330.14270	8.5
359.15005	20.0
463.08801	8.8
463.21878	3.5
464.09375	1.4
464.21939	1.2
503.19208	2.5
507.20853	2.1
507.27945	4.6
521.20282	8.5
563.21271	7.6
603.24188	2.5
605.22369	1.0
827.29773	8.3
828.30640	1.1
869.30786	4.1
909.33649	1.8
971.33661	16.3
972.34735	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	970.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.6
70.16717	1.7
71.01388	22.3
72.01732	3.3
72.99332	2.9
73.01799	1.4
73.02953	4.7
74.03297	0.6
83.01391	4.1
84.01683	0.6
85.02960	13.1
85.60729	0.5
86.03281	2.6
87.00862	1.5
87.03371	1.1
89.02444	8.2
90.02785	1.1
91.02867	0.6
95.01382	1.4
97.89970	0.5
98.20704	0.5
99.00867	1.9
101.02449	17.1
102.02791	3.0
103.02869	1.4
103.04000	1.5
104.04385	0.5
113.02478	6.7
114.02785	1.1
115.02885	0.8
119.03507	2.4
127.04095	0.5
129.62898	0.5
131.03513	10.7
132.03853	2.6
133.03928	1.5
149.36745	0.5
161.04539	0.9
179.05650	0.5
237.75644	0.4
253.21788	0.5
329.24902	2.1
330.25134	2.9
331.25534	1.1
423.32623	2.7
424.33047	3.6
425.33292	2.4
426.33868	1.0
439.31262	0.8
556.37042	1.0
557.37439	1.0
600.35577	0.7
745.42346	1.4
746.42279	4.7
747.42365	10.3
748.42651	11.5
749.44208	1.0
763.41632	0.8
764.41907	0.8
850.93896	0.6
888.89594	0.6
907.47809	1.7
908.47540	7.6
909.29193	1.0
909.47723	31.6
910.47888	100.0
911.48419	5.7
970.46564	14.8
971.46362	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	969.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12600	0.6
71.01389	27.5
71.01786	1.3
71.05070	0.6
71.56556	0.7
71.56994	0.9
71.92102	0.6
72.99307	3.5
73.02954	7.1
83.01400	7.2
85.02961	20.1
86.00099	1.4
87.00877	1.8
89.02452	10.8
95.01373	3.2
96.96014	10.0
97.02959	1.0
98.95601	1.0
98.99315	0.6
99.00882	1.9
101.02454	31.4
102.14021	0.6
103.04015	2.1
112.01672	1.1
113.02451	9.9
115.44016	0.6
119.03511	3.0
131.03520	20.5
143.03572	1.1
161.04552	2.2
170.03000	0.6
179.05692	0.8
181.69910	0.6
208.02209	0.6
351.91138	0.8
352.71326	0.8
405.31656	5.5
439.32007	0.9
472.04260	0.8
503.35370	1.3
539.37354	2.1
581.16132	0.7
603.39099	1.3
685.43195	32.0
686.32373	0.7
686.42920	3.8
701.42255	2.9
703.44330	1.1
747.43042	6.8
765.44513	1.4
847.48511	100.0
848.48914	14.8
865.49445	1.4
909.48547	50.4
910.49255	7.0
938.97803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.0
71.01013	0.9
71.01392	13.4
72.99324	2.8
73.02959	5.1
78.95924	0.7
81.03450	0.8
83.01392	4.5
85.02959	15.4
87.00880	1.5
87.04513	0.7
89.02454	4.7
93.03426	1.2
95.01391	1.9
96.96034	3.8
97.02950	1.1
98.95624	0.7
99.00888	1.3
99.04548	0.7
101.02453	18.3
103.03997	2.6
108.02151	0.6
112.01654	1.6
113.01729	0.7
113.02471	6.9
116.92855	0.9
119.03485	1.1
121.02985	1.0
127.04030	0.7
131.02553	1.1
131.03510	16.8
133.02960	0.7
136.83939	0.5
180.07912	0.9
191.05617	1.9
209.11746	0.6
230.10248	0.7
238.70055	0.5
311.82278	0.5
397.27527	5.5
421.31174	1.0
423.32941	1.4
448.26544	0.6
493.29471	0.6
519.34955	1.2
529.31793	0.7
555.36877	1.8
599.36090	1.0
701.42487	2.5
745.42053	0.7
747.43103	2.9
749.45313	0.6
763.42804	5.1
764.43256	0.7
765.44525	1.1
847.48511	1.2
865.49420	1.0
909.48572	100.0
910.48895	16.7
927.87305	0.6
953.47577	0.6
969.50153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.4
71.01388	20.0
71.38889	0.4
72.01732	0.5
72.99327	2.4
73.02955	4.8
75.00878	0.5
79.70976	0.4
83.01400	4.8
85.02956	16.3
85.03476	0.9
85.60274	0.3
86.00108	0.5
87.00871	1.5
88.98827	0.4
89.02453	7.7
89.37418	0.4
95.01402	1.0
96.96004	0.9
97.02945	0.7
98.19904	1.2
99.00881	1.7
101.02451	21.0
103.04002	1.6
103.50037	0.4
109.03001	0.5
112.01668	0.6
113.02457	8.0
114.02888	0.4
119.03486	2.1
125.02425	0.4
127.04095	0.4
131.03513	17.7
143.03467	0.6
146.17809	0.4
161.04561	1.0
179.05605	0.7
204.03726	0.4
344.80508	0.4
405.31595	1.3
439.32135	0.7
470.27139	0.4
529.00922	0.4
565.35370	0.6
601.37238	1.2
741.39728	0.4
747.43292	18.1
748.43451	1.4
763.42657	1.4
909.48553	100.0
910.48975	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	969.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01916	0.3
69.03454	0.5
71.01390	13.2
71.05009	0.8
72.99313	2.2
73.02955	3.6
75.57461	0.3
75.91132	0.4
83.01380	3.0
83.05043	2.6
85.02961	10.6
86.00111	0.7
87.00846	0.7
88.98840	0.4
89.02463	5.2
95.01378	1.5
96.96019	3.0
97.02940	0.8
98.20657	1.5
98.95566	0.4
99.00867	0.7
101.01798	0.8
101.02451	12.5
101.03112	0.8
103.03991	0.6
109.02849	0.4
112.01677	1.1
113.02461	5.6
119.03493	1.4
124.43253	0.3
131.03514	5.2
142.63852	0.3
161.04546	0.8
168.86865	0.4
191.05670	0.6
214.88733	0.4
229.62016	0.4
413.61508	0.4
425.34277	0.5
451.32095	1.2
469.33231	5.2
583.36493	1.0
601.37524	2.4
703.44318	0.9
729.42328	0.8
747.43347	17.1
748.43671	1.6
763.42889	1.7
847.48511	1.3
865.49146	2.0
909.48547	100.0
910.48950	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	967.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	7.1
71.56351	0.4
72.99329	0.8
73.02971	1.0
82.95415	2.4
83.01385	0.7
84.47202	0.5
85.02953	1.6
87.00889	1.5
89.02455	5.6
90.85844	0.4
91.75298	0.4
95.01417	0.8
96.95978	0.6
97.02969	1.4
99.00869	0.8
101.02445	5.0
105.27461	0.5
105.64620	0.4
105.74708	0.4
113.02471	3.3
114.74226	0.4
119.03516	1.6
123.67223	0.5
125.02463	2.4
131.03554	0.6
143.03522	0.6
161.04576	1.5
179.05608	1.7
179.14497	0.7
195.13934	7.2
196.14418	0.6
205.16072	0.4
211.13380	0.5
221.06764	0.6
223.13396	5.7
228.13829	0.7
235.08244	2.0
238.11852	0.4
253.09128	0.6
256.13141	1.2
275.20163	5.7
277.21561	0.5
287.07883	0.8
293.21252	100.0
294.21545	5.4
305.08856	1.2
309.20929	0.6
323.09613	0.5
379.12436	0.8
397.13528	16.6
415.14609	10.4
415.19852	0.8
460.54257	0.5
471.34821	0.5
569.42151	1.2
673.34442	1.1
691.35492	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	969.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29446	6.1
69.29842	1.3
71.01410	0.7
74.43586	0.7
81.03453	1.4
83.01417	1.4
93.03476	1.6
98.19957	1.7
99.04533	9.9
101.02452	8.1
108.02141	1.2
121.02992	2.7
122.03752	2.1
123.04586	0.8
125.02473	12.0
125.45215	0.7
134.03731	1.0
134.87410	0.7
136.01678	69.7
137.02368	1.5
139.78889	0.6
140.21643	0.7
151.04022	100.0
152.04355	3.1
160.05388	1.5
161.04587	1.3
163.04068	1.0
173.42122	0.9
175.07623	1.7
177.05592	1.3
193.04994	1.0
252.42485	0.7
342.11063	3.1
343.11972	0.9
357.13455	80.8
358.13782	6.7
501.17789	2.2
519.18890	8.0
520.18890	1.0
543.18573	1.0
561.19751	6.0
601.22961	1.7
825.28363	9.0
867.29858	3.1
907.32806	1.6
969.32465	15.3
970.33270	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	967.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.4
71.01389	17.7
72.99317	2.1
73.02952	5.1
75.00899	0.2
81.03448	0.3
83.01396	3.4
85.02957	12.0
86.00108	0.5
87.00884	1.4
89.02454	7.5
95.01398	1.4
96.96009	1.1
97.02941	0.7
99.00904	1.2
101.02451	16.1
103.04031	2.2
112.01680	0.5
113.02464	7.2
113.03249	0.4
116.73206	0.2
119.03510	2.2
125.02416	0.4
127.03989	0.4
130.68274	0.2
131.03516	11.6
143.03513	0.5
148.89684	0.2
159.02914	0.3
161.04633	1.1
163.06119	0.3
179.05673	0.5
227.72221	0.2
243.65567	0.2
309.18069	0.2
329.21176	0.4
329.24835	4.4
363.27130	0.4
365.28412	0.3
381.31604	0.4
385.27612	0.4
391.26706	0.4
403.30167	0.3
405.31473	0.8
407.15228	0.2
407.29596	1.0
421.31470	0.2
423.32745	6.4
424.33014	0.7
437.30634	0.7
455.31598	0.8
461.29083	0.4
537.35968	0.5
555.36865	1.8
563.34259	0.3
587.36163	0.3
599.35425	0.7
683.40240	0.2
701.42426	0.8
745.41724	16.6
746.42029	2.0
761.41632	1.4
907.47021	100.0
908.47345	13.4
967.48535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40727	0.3
69.41129	1.9
69.57458	0.3
71.01402	0.6
81.03465	6.6
83.05033	14.2
87.00883	0.3
89.02435	0.4
93.03473	0.6
96.96024	0.7
100.07702	0.6
101.02451	0.6
103.04004	0.3
108.04558	0.6
125.07200	1.1
131.03535	0.5
135.04573	0.6
136.35532	0.2
140.83260	0.3
143.08231	0.4
173.04546	0.4
179.03563	0.3
191.05624	0.9
199.18288	0.4
206.91379	0.3
207.15062	1.1
224.17677	2.2
225.16100	9.3
240.17136	0.3
242.18744	0.4
279.01071	0.3
309.21851	1.1
333.22739	0.6
341.29071	0.9
367.27182	1.0
433.31784	0.7
450.34448	0.9
451.32904	7.2
452.33310	0.7
500.37860	0.3
550.43304	0.9
567.45953	0.5
593.44440	0.4
659.48090	0.4
676.51514	0.5
677.49829	1.5
747.43262	0.7
765.44312	10.9
766.44434	1.8
776.61212	0.3
885.65656	0.8
903.66559	100.0
904.66846	15.5
904.85144	0.6
963.47852	3.2
964.48682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55784	8.2
71.01393	27.8
72.99328	3.9
73.02962	6.8
75.00899	1.2
83.01392	7.2
85.02960	15.1
86.00066	1.2
87.00889	2.8
89.02454	10.0
90.75195	1.3
93.03479	3.5
95.01420	3.0
96.96030	4.0
98.19905	2.5
99.00916	2.3
101.02458	21.6
103.63998	1.3
106.80775	1.3
109.02963	2.0
112.01705	2.0
113.02466	12.1
119.03526	4.2
131.03534	11.2
134.03749	1.6
135.04558	3.3
152.60660	1.6
160.21170	1.3
173.04636	2.2
178.20181	1.4
179.05710	1.3
191.05630	9.4
241.05151	2.7
244.32022	1.1
256.07425	3.7
261.66666	1.4
269.08328	1.8
271.09763	2.4
284.10657	3.4
451.71338	1.4
469.33560	3.7
588.94305	1.3
646.56470	1.5
721.42657	1.7
735.44171	1.9
747.43445	6.7
752.26221	1.3
765.44098	8.4
883.49408	3.7
927.49677	78.3
928.49866	12.5
943.49927	2.0
944.49561	2.8
945.49329	2.8
963.47852	100.0
964.48547	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	963.5907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.5
69.31368	5.5
69.31776	1.7
71.01389	16.2
72.99327	1.6
73.02950	3.0
78.95902	1.0
85.02954	10.6
87.00891	3.4
89.02457	14.1
93.69663	0.9
95.01358	1.0
96.96023	1.3
97.02956	3.8
97.06606	2.7
98.20695	1.8
99.00919	1.4
101.02448	11.4
109.47060	1.0
110.45808	0.9
113.02457	5.7
119.03497	3.2
125.02457	3.6
137.09720	1.7
143.03494	1.3
155.10822	1.3
161.04512	2.3
171.10284	24.5
179.05623	2.9
183.13943	3.5
201.11230	1.5
209.11874	1.7
211.13406	9.9
218.63907	1.1
229.14389	5.8
235.08229	3.7
246.28497	1.1
253.09346	0.9
255.20651	2.0
255.23303	35.5
256.23715	1.4
291.19815	2.8
305.08691	1.5
309.20721	7.1
311.54123	0.8
327.21777	100.0
328.22119	4.7
397.13541	51.2
397.17654	0.9
398.14072	2.2
415.14636	15.0
468.94833	0.9
522.66309	1.0
565.44049	1.7
653.37469	5.8
707.35046	6.4
708.35199	1.5
725.35699	2.6
784.37701	1.2
963.58057	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	963.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25285	0.8
71.01390	16.0
72.78165	0.8
72.99327	1.9
73.02963	4.7
75.00860	1.2
76.71037	0.8
83.01398	3.8
83.05061	0.9
85.02962	11.3
87.00890	2.0
89.02467	5.8
93.03490	2.3
95.01385	1.1
96.96024	3.0
99.00894	1.9
101.02460	14.9
113.02464	6.6
113.07908	0.8
119.03526	1.6
128.12103	0.9
131.03537	5.9
135.04503	1.4
161.04556	1.1
173.04550	1.8
179.03557	1.1
191.05634	5.8
231.09779	0.9
305.63690	0.9
331.08478	1.3
443.35098	1.3
487.34326	3.0
657.51160	0.9
691.37164	1.2
719.43610	1.7
763.43091	2.0
765.44263	6.6
781.82343	0.9
925.48022	2.4
927.49683	100.0
928.50012	16.3
955.48572	1.3
963.47290	18.3
964.48511	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	963.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	8.0
73.02954	1.6
85.02951	3.9
89.02433	2.2
98.20680	3.1
101.02444	4.8
113.02465	2.7
131.03436	2.2
141.83958	1.2
160.16357	1.2
176.46468	1.4
186.21239	1.2
190.75922	1.2
191.05753	1.2
197.02330	2.6
212.01283	1.4
225.31645	1.3
229.63326	1.5
345.61511	1.4
533.67535	1.6
541.42023	1.5
585.38031	3.3
603.39069	9.7
604.39734	1.8
713.30280	1.5
747.78119	1.3
765.44305	100.0
766.44379	14.1
801.42194	4.6
865.17334	1.4
927.48773	3.8
953.92407	1.3
963.47198	55.9
964.47906	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	963.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	1.0
69.83112	3.8
71.01387	32.2
71.05000	1.1
71.83367	0.8
72.99306	3.0
73.02954	8.1
83.01398	8.3
85.02464	1.4
85.02961	25.0
86.00084	1.8
87.00865	2.9
89.02451	11.9
93.03469	1.4
95.01412	3.7
95.64455	0.8
96.96024	2.5
97.02956	1.2
99.00874	1.9
101.02452	31.1
112.01642	0.8
113.02460	9.9
119.03490	3.3
131.03517	18.7
145.04916	0.9
161.04611	1.5
191.05574	2.6
246.89754	0.9
327.87369	0.8
359.99066	0.8
415.28735	4.2
423.32770	1.7
449.14594	1.1
529.31323	1.1
547.32446	1.4
557.38690	1.7
693.38403	3.1
703.44281	27.3
704.44635	2.4
709.38141	1.4
719.43823	3.0
765.44037	6.1
855.44110	4.2
865.49567	56.2
866.50330	8.2
909.47986	1.1
925.48022	1.7
927.49640	58.5
928.50336	8.7
963.47308	100.0
964.47784	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	963.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.9
69.03440	0.6
70.51614	1.9
71.01016	0.7
71.01392	13.2
71.05035	3.9
72.99312	1.1
73.02946	3.3
83.01398	3.4
85.02959	9.0
86.00101	1.1
87.00884	1.5
89.02457	5.7
93.03453	2.3
95.01401	1.5
96.95986	1.1
97.02955	0.9
99.00849	1.0
101.02453	11.8
112.01675	0.8
113.02450	6.0
115.69795	0.5
119.03509	1.5
131.03519	6.7
134.03770	0.6
143.05273	0.6
173.04547	1.5
191.05630	2.0
220.01347	0.6
275.09305	0.7
320.28867	0.5
337.65796	0.6
345.65717	0.6
369.27692	0.6
371.29733	1.2
415.28558	5.8
449.14200	1.0
469.33606	0.6
481.17093	1.4
487.34253	1.8
529.31799	1.0
547.32941	2.5
601.37616	0.7
675.37689	1.0
690.47327	0.7
693.38721	7.0
694.39417	0.9
700.39862	0.6
747.44336	0.7
765.44214	2.7
855.44073	4.9
927.49634	100.0
928.49976	16.5
963.47491	44.6
964.47717	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	963.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35298	5.8
71.01389	11.4
72.99316	1.0
73.02959	3.3
75.75170	0.6
83.01398	2.9
85.02955	8.1
89.02454	5.3
95.01374	1.9
98.19943	1.4
99.00906	1.0
101.02448	11.2
112.01669	0.7
113.02461	5.0
119.03485	1.2
131.03493	5.0
131.27884	0.7
139.14696	0.6
165.91481	0.8
191.05663	1.1
257.92294	0.7
302.69043	0.7
405.31552	1.8
487.34323	2.7
601.37292	1.0
619.38110	1.0
747.43738	1.0
765.44196	8.1
766.44934	1.4
781.44995	1.1
865.49371	1.4
883.50299	1.0
909.48956	1.1
927.49597	52.7
928.49854	7.0
963.47351	100.0
964.47540	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	10.9
72.99322	1.0
73.02953	1.6
83.01398	1.3
85.02959	5.0
87.00889	1.0
89.02445	7.3
95.01419	1.5
96.96059	1.0
101.02466	5.9
113.02507	3.4
113.49941	0.6
119.03499	2.3
131.03529	1.6
133.13962	0.5
169.74773	0.6
291.02432	0.6
465.19788	0.6
469.33536	1.5
487.34515	6.4
488.34818	0.7
601.37585	2.1
619.38599	3.1
747.43353	1.6
765.44440	9.7
766.44556	1.1
781.43909	2.5
782.44647	0.8
802.79108	0.7
836.12213	0.6
927.49573	43.6
928.50055	7.9
950.58606	0.7
963.47339	100.0
964.47601	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	9.5
72.99308	1.0
73.02982	2.2
77.51379	1.0
78.62968	0.9
83.01369	1.8
89.02470	2.3
96.96010	1.4
98.19906	3.5
101.02477	9.5
112.14379	1.0
113.02459	3.8
131.03583	1.7
135.07228	1.0
141.69511	1.1
153.50177	0.9
161.04570	1.6
161.09615	1.1
173.04439	1.0
191.05647	3.0
197.02194	1.3
229.75308	1.4
281.63058	1.1
318.94186	1.2
410.18301	1.0
571.43915	1.0
585.37769	2.7
603.38916	7.9
621.81238	1.0
765.44373	100.0
766.44635	14.3
766.56891	1.7
801.42328	4.0
927.49756	10.4
928.50818	2.1
963.47479	81.1
964.47699	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	963.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	10.7
72.99327	1.2
73.02968	2.0
83.01427	1.5
85.02959	6.0
88.98809	2.8
89.02451	8.0
90.57997	1.0
98.20670	2.5
101.02453	4.2
113.02454	4.2
131.03488	2.2
151.65498	1.1
161.18573	1.0
162.42291	1.0
236.87082	1.1
292.64749	1.3
391.32187	1.2
469.33615	1.3
487.34421	5.9
519.57867	1.2
519.67108	1.2
601.37769	2.6
619.38678	2.3
747.43286	1.3
765.44373	10.9
766.44055	1.8
781.44080	1.9
927.49774	42.0
928.50525	7.5
963.47369	100.0
964.47498	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76317	1.4
71.01401	1.7
79.12256	0.3
81.03457	0.7
85.02969	0.3
89.02451	1.9
89.76029	0.3
93.03481	0.9
93.07111	0.5
93.58035	0.3
95.05050	1.0
96.96054	0.4
99.00845	0.5
101.02438	0.5
102.63310	0.3
107.05038	1.1
109.02960	7.3
109.06606	5.1
109.90009	0.3
119.05034	5.5
121.02976	6.9
122.03754	1.2
125.02472	0.9
134.03769	0.4
135.04541	6.7
137.06104	37.4
138.06433	0.9
157.51591	0.3
163.03999	0.4
181.05081	90.4
182.05431	2.9
191.05623	1.1
233.06589	0.7
293.08929	1.7
326.46997	0.3
428.47751	0.4
469.13461	0.3
475.14612	100.0
476.14966	6.8
478.88998	0.3
480.42618	0.4
524.00208	0.4
538.37543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	8.3
72.99319	1.0
73.02959	2.9
83.01395	2.3
85.02959	7.1
87.00874	0.5
89.02450	4.3
95.01402	0.9
99.00892	0.8
101.02457	10.7
103.04036	1.1
112.01662	0.4
113.02473	4.1
119.03517	1.2
121.02901	0.3
131.03511	7.6
144.94756	0.4
161.04562	0.8
193.57401	0.4
331.95209	0.5
457.09311	0.4
458.31171	0.5
555.36993	0.7
701.42999	1.7
719.43353	0.8
763.42731	2.1
863.48199	0.6
881.48724	0.6
925.48090	19.6
926.48267	2.6
961.45715	100.0
962.46130	15.3
962.66418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	100.0
72.99321	3.6
73.02951	20.3
83.01392	9.4
85.02956	28.8
87.00881	5.0
89.02451	76.4
95.01392	4.3
98.20779	3.7
99.00909	8.5
101.02457	65.9
113.02456	28.6
119.03525	6.2
125.02444	1.7
129.01892	1.7
131.03532	21.4
143.03462	3.2
149.04572	78.8
159.02979	4.4
161.04584	19.9
173.04581	2.1
175.32990	1.6
191.05609	17.4
211.17090	3.9
229.69829	2.2
239.67540	1.5
289.92114	1.5
293.09061	2.2
311.09879	3.0
373.22363	57.9
374.22604	2.8
415.23389	60.5
416.23666	5.1
518.19397	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	961.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86024	1.1
71.01388	8.1
72.99317	0.9
73.02953	3.0
83.01405	2.4
85.02959	5.7
86.00109	0.6
87.00886	0.5
89.02449	4.0
95.01395	0.8
96.96021	1.3
99.00902	0.6
101.02451	9.8
101.46452	0.6
102.94662	0.7
103.04040	0.8
113.02470	3.6
115.25220	0.5
119.03407	1.0
127.04141	0.5
130.85780	0.5
131.03511	7.8
161.04594	0.5
301.07330	1.0
349.16910	0.5
397.27390	1.5
423.32907	0.9
427.97083	0.5
443.00778	0.5
555.36877	1.2
599.35559	0.5
648.33081	0.6
701.42792	1.1
739.43243	0.7
745.41583	0.9
763.42767	3.5
764.43231	0.6
901.48047	1.8
902.48859	0.6
907.47009	1.1
925.48083	32.2
926.48224	4.7
961.45728	100.0
962.45996	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	959.4863
Annotation	des-acyl avenacin A
Peak:m/z	Relative Intensity
69.03430	1.1
69.52908	7.3
71.01387	53.9
71.05018	2.9
72.99307	5.0
73.02962	5.5
76.75021	0.9
80.60759	0.9
83.01382	5.3
83.05016	3.2
85.02959	20.2
87.00846	2.9
88.13826	1.2
89.02452	38.0
95.01394	4.7
99.00873	3.0
99.04576	1.2
101.02455	30.6
113.02452	15.6
119.03489	7.1
131.03540	6.9
144.05025	1.3
145.67009	1.0
149.04559	2.1
152.97444	1.0
179.05589	3.1
191.05585	3.1
209.87413	1.1
425.25479	1.1
437.30777	2.2
470.87231	1.2
485.32715	11.4
582.94672	1.1
599.35822	3.5
617.36792	15.7
618.36938	2.4
636.53577	1.2
735.43805	1.6
779.42236	73.3
780.42792	7.1
797.43353	27.4
798.43579	3.5
941.48120	1.8
959.48639	100.0
960.48456	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	959.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	45.4
71.05019	1.8
71.40147	0.8
71.56753	0.9
71.57150	1.2
72.99321	3.9
73.02953	6.5
83.01392	6.8
83.05026	3.1
85.02954	16.2
87.00883	2.2
89.02455	30.7
93.03374	0.9
95.01399	3.9
99.00893	1.9
101.02456	25.3
111.04378	0.8
113.02467	13.6
119.03494	7.9
131.03516	6.5
137.84715	0.9
143.03577	0.9
149.04565	1.7
161.04591	1.8
179.05603	2.5
191.05615	2.6
195.06644	1.0
207.21494	0.8
270.08313	0.9
387.11200	1.3
437.30545	2.3
485.32932	7.2
555.36969	1.2
573.37531	0.9
599.36249	2.5
617.36926	14.3
618.37329	2.3
635.38043	1.3
717.42523	1.2
779.42267	67.0
780.42499	9.7
797.43268	33.1
798.43701	5.3
915.49731	1.6
941.47229	1.0
959.48651	100.0
960.48944	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	958.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49789	9.3
69.99670	20.5
70.00078	36.5
71.01389	32.3
71.14124	8.9
77.53374	9.3
84.10764	8.1
85.02952	17.9
89.02458	17.1
96.96026	23.7
98.22923	8.7
101.02460	25.5
106.45948	9.9
113.02464	17.0
124.44199	8.7
191.05643	15.6
196.66010	9.8
220.61226	9.0
293.93253	11.6
299.64743	10.6
306.25787	9.2
354.05270	9.4
390.26651	8.7
562.93195	10.2
733.45135	11.7
735.45813	41.9
736.46051	56.6
897.48572	14.3
898.49225	83.7
912.50342	21.5
923.46301	32.4
959.43982	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	959.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74130	0.7
69.37006	0.6
69.68326	4.0
71.01389	12.7
73.02944	3.1
83.01404	1.7
85.02950	9.8
88.33597	0.7
89.02457	7.8
95.01392	1.1
96.96002	4.7
99.00849	1.1
101.02462	10.6
103.03986	1.3
108.25673	0.7
113.02461	5.2
119.03503	1.5
126.02177	0.7
129.84689	0.8
131.03485	7.8
161.04524	1.0
165.09241	1.2
195.84827	0.7
201.42924	0.8
203.30234	0.7
212.24092	0.7
234.75217	0.7
265.21414	0.7
339.00629	0.8
345.24106	1.0
383.25656	0.8
401.27097	8.4
483.30881	1.6
533.31049	1.2
544.98834	0.8
571.36676	1.0
615.34900	1.0
626.10834	0.8
717.42279	1.3
761.41364	7.1
923.46521	38.0
924.46539	6.5
959.44135	100.0
960.44373	17.2
990.50757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73888	2.5
70.55328	7.3
71.01398	15.4
72.99305	2.6
83.01434	3.1
85.02956	6.5
88.98814	4.3
89.02470	3.7
96.96006	9.6
101.02448	8.3
101.10721	2.4
113.02464	5.2
114.76897	2.3
131.03471	3.6
177.65625	2.7
231.62666	2.5
256.40948	2.4
285.59683	2.8
455.35272	9.7
456.35547	17.8
457.35886	13.7
458.36243	5.6
542.86914	2.5
571.39117	5.2
588.39441	3.7
589.39722	4.7
590.40204	4.1
719.56049	2.7
733.45844	2.8
734.46100	6.9
735.46063	12.5
736.46240	10.8
896.50763	10.3
897.50995	40.5
898.51483	100.0
899.52332	4.7
958.49280	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01851	0.6
71.01388	7.0
71.57044	0.7
72.99301	1.0
73.02939	1.3
76.31329	0.5
83.01395	1.9
84.78777	0.5
85.02962	5.2
87.00880	1.0
87.17457	0.6
88.98798	3.1
89.02447	3.8
93.03477	2.0
101.02462	5.5
113.02462	2.6
125.09694	0.6
131.03520	5.0
135.04538	4.0
179.03520	0.8
191.05537	1.4
194.47771	0.5
308.08926	1.0
352.08112	2.3
365.78177	0.6
441.44516	0.6
449.14630	2.7
453.33762	1.7
585.37610	1.3
588.95697	0.5
603.38586	0.6
669.68408	0.5
717.42670	1.2
735.43329	100.0
736.43652	12.8
749.44794	29.7
750.45050	4.8
777.44403	3.4
778.45343	0.7
791.45587	1.1
897.48846	3.2
957.48206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	16.2
71.55875	1.0
72.99287	2.1
73.02943	3.1
75.00868	1.0
76.90711	0.8
83.01379	3.2
85.02956	8.9
87.00891	1.7
88.98809	3.3
89.02454	8.3
95.01397	1.6
96.96001	3.5
101.02458	13.5
113.02454	5.5
115.97605	0.8
119.03493	2.1
131.03502	3.1
147.34914	1.0
191.05669	1.6
205.12157	0.9
220.92274	0.9
453.33505	2.3
471.34628	7.3
585.37775	1.4
603.39075	6.2
717.42059	1.3
735.43298	15.9
736.43665	2.6
751.57825	0.9
765.44507	7.9
882.26184	1.0
897.48517	100.0
898.48792	12.9
899.27948	0.9
911.50067	11.7
957.47131	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	956.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94582	8.6
71.01379	9.4
83.01347	3.3
85.02953	6.5
89.02421	4.0
101.02464	12.8
105.06257	2.8
110.55164	2.4
113.02406	2.8
122.81525	2.4
146.03899	2.5
166.00452	2.5
177.89124	3.1
256.96292	2.4
395.27029	3.2
400.52094	2.8
444.33704	2.5
454.33994	3.2
613.53857	2.6
663.33484	2.8
731.42712	3.1
732.43219	5.7
733.44580	11.5
734.44696	14.5
750.44061	3.4
894.49786	6.7
895.49573	28.4
896.50110	100.0
956.48865	16.6
957.49176	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56880	1.0
70.57220	2.5
71.01384	10.3
72.99308	3.2
73.02945	1.5
75.00872	1.1
76.20831	1.0
83.01399	1.8
85.02964	7.5
86.00113	1.2
87.00891	1.4
88.98827	6.1
89.02456	6.8
93.03457	1.2
96.96057	2.0
101.02464	9.2
108.02121	1.1
113.02453	2.3
119.03448	1.4
121.02953	1.6
131.03506	7.0
151.00362	1.1
162.64314	0.9
191.05634	1.3
284.82944	1.0
331.07986	1.2
445.64380	1.0
453.33685	1.6
735.43347	100.0
736.43768	13.7
749.44879	47.6
750.45404	6.7
751.44806	1.9
777.43866	1.7
791.45386	1.9
897.48602	9.4
898.48969	1.4
957.50958	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	955.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37371	1.4
71.01386	8.5
72.99308	1.3
73.02966	3.3
83.01389	2.3
85.02958	6.8
86.00112	0.7
87.00881	0.7
89.02454	3.9
95.01402	0.9
96.96028	3.2
98.19940	0.5
99.00876	1.2
101.02451	9.0
103.04028	1.0
113.02475	3.3
119.03500	1.1
131.03523	2.8
162.86728	0.5
217.08450	0.5
301.31375	0.6
400.21173	0.6
408.04639	0.7
453.33450	1.2
455.35315	29.3
456.35663	2.6
569.38702	4.2
587.39514	7.2
588.39673	1.4
613.53107	0.6
715.43652	1.3
733.45361	18.4
734.45880	1.6
749.44946	3.0
750.44995	3.6
751.45392	7.5
752.44672	0.7
895.50562	100.0
896.51129	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	955.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01949	0.4
70.29771	1.0
71.01389	10.3
72.99305	1.5
73.02954	4.0
75.00867	0.4
79.30589	0.3
83.01406	2.6
85.02953	6.3
86.00094	0.7
87.00877	0.7
89.02457	4.9
89.82349	0.4
93.06933	0.4
95.01414	1.0
96.96009	2.6
99.00868	0.8
101.02457	9.2
103.04041	1.2
106.50994	0.4
113.02460	4.6
119.03509	1.6
131.03500	2.5
161.04457	0.6
161.20856	0.4
286.10757	0.4
305.76352	0.4
312.25052	0.4
315.84338	0.5
455.35352	37.4
456.35699	2.7
468.84409	0.4
509.36487	0.6
523.41486	0.5
549.33044	0.4
569.38525	4.9
570.38885	0.8
587.39587	8.0
588.39923	1.0
699.46344	0.5
715.44507	0.9
733.45392	20.3
734.45282	2.9
749.44666	1.4
895.50629	100.0
896.51025	17.0
955.46088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42004	5.3
71.01391	11.7
72.99310	1.9
73.02949	2.7
75.00880	16.5
77.63799	0.9
83.01389	1.7
85.02953	13.7
85.06482	0.8
87.00880	3.1
89.02436	3.8
95.01391	2.6
97.02936	0.8
98.20615	1.4
99.00895	1.8
101.02467	8.1
113.02453	8.0
119.03537	1.4
125.02446	0.9
127.04025	1.2
129.01907	0.8
143.03481	0.9
149.02443	1.0
150.03230	1.8
151.03983	1.0
161.04558	3.6
165.05569	1.9
173.49718	0.8
177.01816	0.7
191.05544	1.4
195.06586	1.2
221.06842	0.9
242.39352	0.8
262.50681	0.8
348.33334	0.9
455.35223	12.8
569.37927	1.0
631.38519	44.4
632.38855	5.2
726.14063	0.9
793.43427	1.1
955.49127	100.0
956.49500	18.0
957.31458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.9
68.99817	1.5
69.03458	1.6
69.28490	4.1
71.01389	14.0
71.05017	0.7
72.99323	2.6
73.02962	3.8
75.00882	17.5
81.03464	0.7
83.01391	1.6
85.02959	14.7
87.00881	2.5
89.02452	3.9
93.03458	7.3
95.01403	1.2
96.13134	0.5
96.96020	2.6
99.00890	14.4
99.04535	0.5
101.02455	3.6
103.04028	1.0
106.63444	0.5
109.02856	0.5
111.04521	1.1
113.02468	6.2
115.00353	0.6
116.01138	0.5
117.52842	0.5
119.03523	0.8
121.02941	0.7
131.03474	0.8
133.02928	0.8
134.03732	2.5
135.04529	1.3
137.02441	0.6
143.03513	0.7
150.03239	1.1
157.01518	0.9
161.02507	0.8
162.03218	1.0
165.01915	0.6
165.34862	0.6
173.04570	5.0
181.05128	0.8
191.05658	5.5
191.78317	0.6
195.06570	1.1
219.17870	0.6
275.09399	3.8
276.09738	0.6
449.14514	7.6
450.15027	1.1
453.33871	0.7
461.70789	0.6
471.34244	0.7
567.36963	0.6
585.37933	0.8
611.36267	0.8
629.36627	1.0
662.02997	0.6
731.43890	0.9
749.44330	0.7
757.39056	0.6
775.42065	0.5
791.42303	0.7
793.43823	6.7
794.44421	1.0
795.41565	0.6
895.47937	0.7
924.95508	0.6
955.49133	100.0
956.49475	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.3
69.44897	7.5
71.01388	38.5
71.01781	2.0
72.99310	7.3
73.02948	7.9
75.00876	29.9
79.16872	1.0
83.01389	4.5
85.02959	29.8
87.00893	10.4
89.02450	12.4
93.03451	2.9
95.01399	3.0
96.95995	1.9
97.63065	1.0
99.00888	7.9
101.02472	12.9
111.00874	4.5
113.02469	16.9
115.00401	2.1
116.01183	1.7
117.01889	1.8
119.03481	1.5
125.02402	1.7
129.01906	1.5
131.03490	4.7
133.02995	1.3
134.03709	1.3
151.00345	1.6
161.04587	2.7
173.04530	2.2
191.05588	11.2
219.37111	1.0
302.19824	1.2
346.78748	1.3
347.32126	1.0
408.07019	1.3
467.42523	1.4
537.32544	2.7
541.38312	1.3
588.18805	1.4
784.07318	1.1
955.41901	100.0
956.42114	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	955.4904
Annotation	Sandrosaponin X
Peak:m/z	Relative Intensity
71.01389	13.7
72.99310	1.9
73.02950	2.9
75.00880	18.5
83.01398	2.8
85.02960	16.8
87.00879	3.4
89.02458	5.0
94.38879	0.8
95.01394	2.7
99.00900	2.5
101.02460	7.8
113.02449	7.2
116.18075	0.8
117.39931	0.8
119.03530	1.6
125.02515	1.3
127.04041	0.8
129.01886	0.7
136.01585	0.8
143.03581	0.8
159.02995	1.2
161.04561	3.0
163.87749	0.7
165.05511	1.2
178.59592	0.8
191.05685	1.6
191.40851	0.7
195.06514	0.8
199.77454	0.8
307.27213	0.7
332.01605	0.8
373.12384	0.7
455.35403	11.8
456.35858	1.0
510.16263	0.9
569.38336	2.0
613.37488	1.2
631.38568	45.7
632.39105	5.5
715.16632	0.8
793.44061	1.0
955.49170	100.0
956.49408	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95760	2.5
71.01391	11.0
72.99329	1.0
73.02964	3.1
73.12206	0.5
83.01392	2.6
84.48847	0.5
85.02956	7.0
86.00121	0.8
87.00882	0.6
89.02454	5.6
95.01346	0.5
96.96021	3.1
98.19917	1.1
99.00876	0.8
101.02454	8.4
103.04027	1.2
113.02473	3.5
119.03519	1.7
125.02425	0.5
131.03500	3.3
168.53731	0.6
179.05624	0.8
189.24275	0.6
275.55530	0.5
310.26086	0.5
453.33783	8.4
511.17139	0.5
566.44141	0.6
579.91040	0.6
585.38373	1.1
633.07367	0.6
633.51587	0.6
731.43872	21.0
732.44293	2.0
747.43304	2.0
749.44049	2.0
893.49091	100.0
894.49396	14.6
960.63562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.9
69.66361	0.7
71.01386	14.1
72.99307	2.8
73.02948	2.9
76.11372	0.7
83.01382	3.4
85.02956	12.1
86.00109	1.1
87.00858	2.1
87.04504	2.3
87.76559	0.9
89.02437	6.1
95.01382	1.3
95.62208	0.7
96.96021	3.9
98.20647	2.8
99.00880	1.1
101.02457	12.4
103.04028	1.8
113.02471	5.0
119.03513	1.9
125.02454	0.8
131.03491	5.6
137.13486	0.8
143.03548	3.8
189.63971	0.8
191.05528	1.3
325.95609	0.7
389.05725	0.8
453.33743	28.8
454.34100	2.5
471.34915	2.0
567.36841	3.2
585.38068	5.2
603.38605	1.0
687.10760	0.9
698.69818	0.8
731.43768	22.6
732.44598	2.4
747.43616	1.9
749.44800	71.9
750.45190	9.7
786.05188	0.9
893.49078	100.0
894.49170	14.0
953.45673	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	951.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34965	12.1
71.01389	31.7
72.99315	3.7
73.02961	11.8
73.89285	1.9
83.01384	10.6
85.02963	20.4
87.00900	3.4
88.98821	1.9
89.02489	9.4
93.03448	1.9
95.01449	2.2
96.96017	11.6
99.00867	2.2
101.02450	28.3
103.04018	4.0
113.02467	13.2
119.03490	4.9
125.02518	2.4
131.03514	20.0
143.03500	2.2
175.64348	1.9
191.05704	4.0
335.44556	1.9
397.93759	2.0
414.80954	1.9
448.10547	2.0
729.42340	26.9
730.43152	3.4
747.43359	3.5
751.45813	3.2
781.53632	2.0
822.46893	2.2
847.48132	3.7
891.47504	100.0
892.47516	17.2
913.51740	16.9
914.52014	4.6
915.53412	9.3
951.47235	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	953.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18243	0.7
67.01879	0.7
70.55631	1.2
70.55965	1.0
71.01385	16.2
72.99308	1.6
73.02953	3.9
78.95904	1.0
83.01387	3.3
85.02951	10.9
86.00110	1.6
87.00887	1.3
89.02460	6.5
92.98766	0.7
93.03397	0.9
95.01382	1.7
96.96008	8.1
97.02962	0.9
99.00873	1.1
101.02451	13.6
103.04035	0.9
112.01670	1.1
113.02453	4.7
119.03493	2.7
125.02472	0.8
131.03526	5.7
143.03526	2.1
161.04619	1.0
184.10408	0.8
191.05611	1.8
199.09337	0.8
207.10266	0.9
209.11812	2.7
217.36452	0.9
225.11182	1.0
227.12733	0.8
291.19748	1.5
351.07312	0.7
397.13687	1.0
453.33774	20.0
454.33905	2.4
471.34750	0.8
567.36871	2.7
585.37933	3.8
687.44647	2.8
731.43848	21.3
732.43915	2.6
747.43488	1.5
749.44794	18.2
750.44922	2.4
849.50330	7.0
850.49524	0.8
893.49084	100.0
894.49518	14.5
917.48193	0.8
953.45410	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	951.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22623	0.5
69.18069	5.1
69.18478	0.8
71.01393	4.0
73.02953	1.0
83.01379	0.7
85.02941	1.5
87.00902	1.1
89.02454	2.1
90.54199	0.6
93.03483	1.6
95.01400	0.8
96.96010	1.1
101.02446	2.4
107.01426	1.0
113.02452	1.3
119.03481	0.5
125.02427	0.8
135.04607	0.8
151.00363	1.5
161.04541	0.7
173.04572	4.1
180.07935	1.3
191.05609	4.2
195.10265	0.8
199.03996	1.1
201.01768	0.6
204.04207	0.7
205.05016	0.6
215.03535	1.7
227.03557	1.3
227.05930	0.6
242.02191	3.4
243.02983	20.6
244.03375	0.9
255.03073	0.9
257.04532	4.8
270.01749	5.0
271.02484	19.4
272.02917	0.9
275.09256	0.8
285.04007	11.1
286.04926	3.7
299.02029	5.8
300.02783	4.4
311.07755	1.3
314.04333	35.5
315.05057	9.1
357.06351	0.8
366.40393	0.6
387.20187	2.5
429.21414	6.0
449.14859	1.2
452.75708	0.6
473.10541	0.7
477.10406	100.0
478.10745	7.6
638.76874	0.7
829.30511	0.6
951.47638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88908	0.4
69.89315	0.8
71.01392	1.8
73.02959	0.4
73.46013	0.2
81.03469	0.6
89.02444	2.3
93.03462	0.8
93.07081	0.3
95.05021	1.0
96.96001	0.3
99.00907	0.6
101.02433	0.5
107.05038	0.7
108.02174	0.2
109.02963	6.8
109.06603	4.5
111.98775	0.2
115.04030	0.3
119.05028	6.1
121.02968	7.0
122.03765	1.6
125.02440	1.1
131.03445	0.3
135.04536	5.2
137.06091	38.7
138.06432	1.0
147.26187	0.2
181.05075	94.5
182.05399	2.9
191.05644	0.7
196.81425	0.2
233.06714	0.6
293.08792	1.4
328.79721	0.2
459.95056	0.2
475.14578	100.0
476.14984	8.1
477.14746	0.3
901.32935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41164	1.3
71.01388	12.7
71.57094	2.2
73.02943	2.3
78.44154	1.3
83.01402	3.0
85.02952	10.2
87.00873	1.8
89.02480	6.2
93.03468	3.9
95.01387	1.7
96.96019	7.1
101.02461	13.3
113.02464	4.9
119.03522	1.7
131.03522	4.8
135.04547	1.9
136.05295	5.2
161.02507	1.8
163.99268	1.2
173.04524	1.7
191.05681	8.5
282.09048	1.4
294.45682	1.5
348.68732	1.3
366.28275	1.3
471.34756	20.1
472.35126	1.7
585.37787	3.0
603.38983	5.0
747.44446	1.5
749.44678	9.0
907.15765	1.5
909.48840	9.5
910.50342	1.4
911.49988	39.6
912.50360	5.6
927.51013	2.0
928.50946	3.5
929.50507	2.8
947.47742	100.0
948.48145	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	947.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18379	5.0
71.01385	12.2
72.99328	1.8
73.02942	2.2
85.02972	8.8
87.00890	2.2
87.04516	6.3
89.02430	4.3
96.96021	6.4
101.02438	7.3
102.34790	1.5
113.02429	3.9
115.04023	3.3
115.88728	1.3
118.96621	1.6
125.02472	1.9
125.77505	1.4
131.03494	3.9
143.03511	19.4
178.87257	1.7
193.14301	1.5
202.30971	1.4
208.06583	2.0
244.84399	1.6
298.82864	1.5
423.32556	3.3
454.92709	1.6
471.34995	12.3
472.34903	1.7
585.37842	4.9
592.33655	1.7
603.38684	4.5
647.37994	1.9
648.08600	1.5
668.02606	1.7
749.44843	58.7
750.45258	7.1
819.45166	3.3
911.49994	33.7
912.49976	4.2
929.46814	6.1
947.47845	100.0
948.47845	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38440	17.1
70.19684	47.2
70.20065	40.7
96.96009	22.7
128.85361	17.1
153.69290	16.7
191.05606	38.6
209.11752	100.0
246.09839	21.8
258.93933	18.5
277.21689	50.2
620.72815	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	948.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28304	100.0
71.01393	32.0
89.02435	15.8
96.95977	18.8
114.09550	11.1
138.89532	11.5
191.05521	16.8
209.11816	50.9
210.12135	13.2
232.18500	13.4
236.64328	13.3
255.23311	17.4
277.21814	23.7
397.13531	33.2
440.38373	11.6
446.74451	12.3
471.35123	22.7
472.35391	14.8
744.59058	17.2
765.74188	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	947.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.9
71.11564	2.7
85.02952	6.0
89.02464	1.7
93.03453	5.1
96.96042	7.7
99.00920	1.8
101.02448	4.4
105.36138	1.3
108.06986	1.3
111.04561	1.4
113.02415	1.7
125.02432	1.2
131.03477	1.7
135.04568	2.8
140.71730	1.5
165.27028	1.3
173.04532	2.7
181.05034	1.6
191.05602	11.2
197.02213	2.4
208.86401	1.4
279.47867	1.3
414.48611	1.4
449.14441	1.3
471.34622	1.6
749.44849	100.0
750.45111	14.4
785.42096	3.5
809.42401	1.4
885.48151	1.7
947.48267	24.1
948.47839	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	947.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	2.7
72.76559	0.6
72.99276	0.7
73.02901	0.5
85.02885	2.3
89.02406	1.0
98.20661	1.9
101.02464	3.3
102.35973	0.5
131.03531	2.6
131.45891	0.5
191.05574	0.7
197.02255	3.5
205.82317	0.6
229.59837	0.7
352.44818	0.6
453.33411	1.7
535.09454	0.5
703.44043	1.1
705.44238	0.8
731.44238	0.9
749.44843	100.0
750.45166	13.6
785.42419	2.4
947.47876	33.5
948.47772	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	947.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40448	3.3
69.40874	3.1
71.01388	12.8
72.99323	1.2
73.02936	2.5
83.01362	2.2
85.02956	6.6
87.00903	1.5
89.02447	5.6
93.03495	1.6
96.96033	3.7
98.37788	0.9
99.00916	1.1
101.02448	7.1
104.27482	0.7
109.02966	0.7
113.02445	4.0
119.03519	1.8
119.04991	0.8
131.03487	1.4
135.04539	0.7
145.71147	0.7
150.03241	0.8
165.01773	1.0
191.05614	2.4
195.06694	1.0
211.09804	0.8
471.34793	19.9
472.35266	1.4
486.33011	0.8
540.05725	0.8
585.37921	4.7
603.39233	7.0
640.78735	0.9
749.44757	21.2
750.44659	4.1
765.44733	2.0
766.44507	2.0
911.50061	50.5
912.50671	5.8
947.47699	100.0
948.48083	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	946.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49467	31.2
69.49879	91.9
71.01383	57.2
73.32047	16.3
78.95927	27.2
79.55951	15.9
80.96530	24.1
85.09961	14.1
89.02444	39.3
96.95972	20.5
97.02955	19.7
98.20664	29.9
101.02458	44.0
109.06610	58.5
110.06945	18.5
113.02436	27.3
130.93869	16.3
162.05067	17.4
163.11330	21.3
164.11656	15.1
171.71925	17.5
207.10295	73.6
208.10657	60.7
209.11954	100.0
210.12115	19.5
225.11293	32.5
226.11731	28.7
235.07979	18.0
277.21661	91.7
278.22037	56.3
279.22052	18.2
397.13565	46.8
398.13889	38.9
399.13837	19.7
424.19855	18.8
885.46655	21.0
886.47217	92.3
934.22961	18.7
945.54340	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	947.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84494	2.3
71.01390	6.2
73.02937	2.2
83.01379	1.7
85.02950	5.4
89.02457	2.2
98.51759	1.3
99.00902	1.0
101.02484	5.4
110.02312	1.0
113.02442	3.1
130.59807	1.0
131.03479	1.8
148.82185	1.1
193.58128	0.9
300.11908	1.3
327.82385	1.1
453.33807	2.3
458.32343	1.2
471.34760	3.9
585.37726	1.3
603.39594	2.6
716.07416	1.1
749.44788	9.9
909.48535	3.3
911.50043	42.3
912.50867	6.0
927.55438	1.2
947.47650	100.0
948.47827	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	947.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12794	1.0
71.01395	6.2
73.02950	1.1
83.01385	1.5
85.02945	3.2
89.02451	2.1
99.00864	1.6
101.02442	4.8
101.03093	0.9
113.02479	2.0
214.06752	1.1
316.90161	1.2
471.35049	5.1
585.38495	1.6
603.38599	2.5
749.44849	14.8
750.45380	2.2
911.50226	52.1
912.50305	11.3
947.47803	100.0
948.48065	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46021	3.1
69.46430	3.7
71.01393	2.4
85.02948	2.4
86.25637	0.9
98.20724	1.6
101.02480	1.8
131.03511	1.7
195.63817	0.9
197.02299	4.7
284.05182	1.0
421.73425	0.9
453.33325	1.2
457.45657	1.0
731.43915	1.3
749.44824	100.0
750.45087	16.1
785.42914	2.7
910.35168	0.9
947.47870	36.5
948.47778	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	945.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	24.8
71.04175	3.1
72.99309	3.2
73.02978	6.3
83.01391	5.8
85.02960	15.5
86.00097	1.8
89.02453	8.6
93.03416	1.4
95.01382	1.6
96.96031	8.4
99.00835	1.7
99.05605	1.3
99.33026	1.2
101.02454	23.3
113.02491	6.5
119.03478	1.7
127.03945	1.3
131.03511	14.8
135.04562	1.3
191.05643	3.2
245.83382	1.2
309.69455	1.8
329.23428	2.8
529.29584	1.3
685.43097	15.6
703.44586	1.8
747.42426	2.8
847.48419	42.9
848.49097	6.6
909.48566	17.9
910.48102	3.3
945.46191	100.0
946.46478	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	946.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42722	11.7
69.35346	100.0
71.01405	18.6
73.33096	13.3
80.96508	14.0
83.20586	10.8
87.00872	17.0
89.02457	27.1
101.02441	18.4
106.86142	10.6
109.06591	17.2
113.02472	15.6
116.92894	15.7
153.21872	13.0
163.11174	12.3
207.10281	51.5
208.10606	27.8
209.11942	33.6
210.11940	12.7
212.20592	12.3
225.11421	24.7
234.92044	13.5
246.18576	11.7
277.21729	47.2
278.21988	30.2
284.69778	13.5
358.49823	13.6
397.13467	23.1
398.13956	14.7
451.32050	43.3
453.33850	94.6
454.34201	42.9
471.34930	27.9
472.34961	17.6
485.36725	57.1
486.36426	35.5
740.75201	15.3
886.47968	49.9
946.48370	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	943.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38309	5.8
71.01390	21.4
72.99313	3.7
73.02951	6.3
74.74589	0.7
83.01385	4.6
85.02956	16.5
86.00076	1.3
87.00883	1.3
89.02455	8.4
95.01398	1.8
96.96036	1.8
99.00932	1.3
101.02460	21.2
103.04031	2.0
106.49746	0.7
113.02459	8.9
119.03488	1.6
131.03510	18.5
160.76476	0.7
161.04510	1.4
161.34885	0.8
179.05664	0.9
191.05495	0.9
326.71484	0.8
471.34683	2.5
545.38452	3.1
589.37402	0.9
709.99896	0.8
721.45404	23.3
722.46088	3.2
737.44501	2.0
881.51971	0.8
882.48938	0.8
883.50635	100.0
884.34076	1.0
884.50958	15.5
928.23224	1.0
943.45831	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	945.464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01040	1.5
71.01391	18.4
73.02929	4.2
83.01383	4.5
85.02953	12.8
85.71346	1.6
89.02419	6.5
96.95991	3.6
97.88442	1.9
99.00866	2.0
101.02467	17.6
113.02434	6.2
131.03537	11.4
191.05556	2.6
201.01117	1.7
484.79388	2.2
497.58160	2.0
747.43274	11.1
794.28351	2.1
795.44867	4.3
796.45740	6.1
797.46613	3.2
833.42969	2.6
893.49738	2.3
894.49164	2.4
909.48694	36.2
910.48816	5.4
945.45856	100.0
946.46661	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	945.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	18.3
71.03127	1.8
72.99311	2.2
73.02953	4.8
75.00858	1.0
83.01393	3.9
85.02958	10.2
87.00887	1.6
89.02459	6.3
95.01438	1.4
96.96040	4.2
99.00882	1.3
100.48946	0.8
101.02457	14.2
103.04016	1.5
103.30020	0.8
109.02965	0.8
112.01652	0.8
113.02460	6.8
114.65846	0.8
119.03524	1.7
119.05014	2.4
131.03528	7.3
135.04497	1.1
161.04575	1.3
163.04019	1.9
163.25568	0.9
191.05685	2.1
213.11626	0.9
257.43991	0.7
310.35446	1.1
364.34033	0.9
469.33289	3.6
601.37299	1.0
685.43945	1.4
747.43378	11.6
781.43744	2.0
803.42004	1.5
817.40936	1.4
818.41174	1.0
847.48364	1.2
865.49426	2.5
885.50946	3.4
907.47662	1.8
909.48541	59.9
910.49170	10.8
945.46161	100.0
946.46454	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	943.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	10.7
72.99310	0.8
73.02927	2.8
83.01384	1.4
85.02959	7.8
86.00069	0.6
89.02445	3.4
95.01381	0.9
98.20764	1.0
99.00883	0.8
101.02447	9.2
103.04015	0.8
108.74943	0.6
111.14018	0.5
113.02450	3.8
119.03498	0.8
131.03513	5.9
159.03133	0.6
161.04509	0.8
192.31602	0.6
200.54213	0.5
214.51797	0.5
230.11472	0.9
329.24887	2.3
342.15442	0.6
405.31793	0.8
423.32819	3.1
437.30551	0.6
464.16989	0.6
550.67651	0.5
638.36749	0.6
701.42004	0.7
745.41876	7.4
907.47009	38.8
908.46906	6.2
926.18445	0.6
943.44647	100.0
944.44885	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	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30052	0.8
71.01389	11.5
71.05012	0.2
72.01688	0.2
72.99301	0.8
73.02947	2.5
83.01385	1.6
85.02961	4.9
87.00864	0.9
89.02454	5.6
93.03471	0.3
95.01394	1.1
96.96024	3.3
99.00892	0.8
101.01802	0.4
101.02453	6.7
109.02966	0.2
113.02464	3.3
119.03503	1.0
131.03528	1.8
148.05322	6.7
149.04558	0.4
149.05586	0.9
150.03239	0.2
159.02975	0.4
161.04550	1.0
163.07671	6.6
164.08002	1.2
165.01930	0.2
173.04561	0.2
191.05614	0.6
218.10742	0.2
218.12943	0.2
225.07654	0.2
393.31824	0.3
421.30988	0.3
427.32040	0.3
437.30887	0.3
439.32098	1.2
447.22244	0.7
469.33145	0.9
470.33334	0.3
487.34387	4.5
488.34607	0.3
501.41589	0.2
535.92987	0.2
583.36353	0.3
601.37396	3.1
602.37622	0.5
619.38586	11.0
620.39209	1.3
665.38391	0.2
700.99609	0.2
781.43854	100.0
781.93164	3.3
782.44128	17.4
823.44489	0.5
943.48834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5149
Annotation	Carnosifloside III
Peak:m/z	Relative Intensity
69.03439	0.4
71.01386	10.0
71.55830	0.3
72.99313	1.1
73.02958	3.5
75.00887	0.6
83.01389	2.1
84.74794	0.2
85.02956	6.7
86.00100	0.5
87.00871	1.5
87.04522	0.4
88.98852	0.4
89.02441	1.4
93.03468	0.4
95.01405	1.2
96.95995	0.4
97.02975	0.4
99.00876	1.0
101.02447	7.0
103.04009	0.6
111.00925	0.6
113.02460	4.9
113.03245	0.3
115.03947	0.3
119.03509	0.3
119.05055	0.4
121.45152	0.2
124.36311	0.2
125.02425	0.7
131.03497	0.8
143.03539	0.8
159.02975	0.5
161.04517	0.7
163.03987	0.4
165.05669	0.3
173.04579	0.3
179.70518	0.3
191.05699	0.6
191.34100	0.3
224.58459	0.3
225.08969	0.2
384.01776	0.3
407.32986	0.3
446.52866	0.3
453.33786	1.6
454.33713	0.3
471.34586	1.2
586.78326	0.2
633.40369	0.7
647.38354	0.5
648.37500	0.3
728.60535	0.2
735.46332	0.4
749.45172	0.6
761.44897	0.7
765.44507	0.6
779.45898	100.0
780.46301	15.6
780.57538	0.2
821.46582	0.7
911.50415	0.6
941.48688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.513
Annotation	Carnosifloside III
Peak:m/z	Relative Intensity
66.25947	0.2
69.03471	0.2
70.87568	0.5
71.01390	7.6
71.05040	0.2
72.99306	0.6
73.02950	3.2
75.00887	0.5
79.49047	0.2
83.01401	1.6
85.02959	5.8
85.03473	0.4
85.61727	0.2
86.00096	0.3
87.00883	0.9
89.02448	1.4
93.03427	0.3
93.14439	0.2
95.01408	1.0
96.96017	0.7
97.02938	0.4
99.00898	1.1
99.17214	0.2
101.02455	5.5
103.04015	0.6
111.00848	0.2
111.31935	0.2
112.73570	0.2
113.02460	3.9
125.02451	0.4
131.03532	0.5
133.89000	0.2
136.28909	0.2
143.03462	0.7
145.04897	0.2
161.04579	0.9
173.04555	0.2
178.03008	0.2
179.03548	0.2
191.05591	1.0
213.96812	0.2
449.14206	0.3
453.33765	1.7
454.35269	0.2
471.34738	1.3
559.50000	0.2
615.39063	0.3
633.39941	0.7
761.44763	0.7
779.45905	100.0
780.46240	15.3
793.43195	0.3
805.90717	0.3
821.46680	1.3
941.50305	2.3
942.50000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	17.1
71.01781	0.8
71.05034	2.5
72.99305	2.5
73.02950	5.0
77.03343	0.4
83.01402	3.1
85.02963	11.5
86.00127	0.8
86.03236	0.5
87.00879	1.8
88.98820	0.5
89.02457	7.8
90.95949	0.4
95.01373	2.1
97.02983	0.6
98.20655	1.5
99.00895	0.8
101.02450	14.0
103.04008	1.4
112.01665	0.6
113.02463	7.6
119.03514	2.4
125.02444	0.5
127.04003	0.6
131.03528	4.1
135.04645	0.4
143.03473	0.5
161.04521	1.4
165.12392	0.4
179.05519	0.8
191.05507	0.7
195.06558	0.5
221.58893	0.5
241.84496	0.5
302.12787	0.5
339.23279	0.9
341.24924	5.2
357.27939	0.9
369.27817	1.0
423.28436	0.6
423.33334	0.8
425.30417	3.0
441.33740	36.0
442.33994	3.5
495.34924	0.6
527.31909	0.5
537.35760	0.8
555.36853	3.4
573.38019	16.3
574.38623	2.2
658.06775	0.5
719.43823	34.6
720.44061	4.2
735.43079	3.2
736.43121	0.8
779.45770	7.4
780.45325	1.0
881.49030	100.0
882.49323	16.2
897.48151	0.7
911.50177	0.5
912.52789	0.5
941.46930	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	941.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15317	1.0
70.94977	1.4
71.01009	2.2
71.01391	33.6
71.05012	1.9
72.99314	3.3
73.02965	9.2
75.00871	2.8
83.01395	5.9
85.02963	23.1
87.00867	5.1
88.98830	1.1
89.02459	10.6
92.03712	1.3
95.01413	3.8
96.96040	6.1
97.02969	2.2
99.00879	4.8
99.04520	2.2
101.02451	24.7
113.02450	13.1
119.03492	3.2
119.05035	2.4
121.15460	1.2
125.02477	1.9
127.04004	3.7
131.03514	3.3
135.04489	1.2
143.03572	2.1
159.02968	2.0
161.04562	8.0
163.04005	1.8
173.04520	1.9
191.05542	1.3
221.06601	2.8
390.69916	1.1
471.34888	15.3
615.38910	2.4
617.24042	1.4
633.40228	3.9
719.43744	3.2
761.45050	2.7
779.45453	4.2
864.06122	1.3
881.49878	7.1
941.51196	100.0
942.51691	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	941.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62847	1.0
69.46529	6.8
71.01388	10.5
72.99300	2.3
73.02959	2.7
83.01440	1.6
85.02953	8.0
85.18680	0.8
87.00904	1.3
89.02454	3.5
93.26958	0.9
95.01414	2.1
96.95995	5.4
101.02460	9.2
103.03992	1.4
112.01717	1.3
113.02470	3.2
131.03490	6.0
135.04524	1.7
191.05603	1.7
214.42511	1.0
313.05423	1.0
416.60971	1.1
471.34787	6.4
603.39044	2.0
719.44641	1.6
749.44818	35.7
749.58325	2.0
750.44794	6.0
881.49078	100.0
882.49408	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	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	19.9
71.05028	2.4
71.53997	1.4
72.99295	2.4
73.02952	5.1
73.67850	1.3
83.01388	5.6
85.02950	12.9
87.00861	1.4
89.02464	6.1
96.96029	1.8
99.00847	1.7
101.02450	19.7
103.04031	1.9
113.02462	8.8
118.46474	1.2
119.03472	1.9
131.03514	11.5
132.80652	1.1
161.04677	1.6
191.05640	3.2
201.08104	1.2
282.50647	1.1
466.58118	1.3
502.16260	1.2
543.36871	1.7
719.32104	2.2
719.43878	25.7
720.44403	3.7
735.42773	3.7
881.48987	100.0
882.49390	14.6
906.64398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62721	0.9
69.03435	1.6
69.17939	10.8
71.01385	38.8
71.05030	1.3
72.99313	4.2
73.02945	8.7
75.00880	4.0
81.03465	1.4
83.01410	7.3
85.02957	21.2
86.00081	1.3
87.00885	6.1
89.02457	10.8
95.01386	3.5
96.96010	3.8
97.02942	1.4
98.19826	2.3
99.00896	4.3
99.04498	2.3
100.27186	1.0
101.02454	27.2
109.02956	1.3
111.00896	1.8
113.02460	14.1
119.03513	3.1
119.83072	1.0
125.02460	1.2
127.04032	2.7
131.03477	4.0
135.04512	1.3
136.45801	0.9
143.03488	2.2
159.02953	1.9
161.04565	6.0
163.03987	1.2
271.95587	1.0
471.34763	13.2
472.35052	1.3
584.61652	1.1
615.38965	2.2
633.40082	4.4
719.43829	5.3
749.44641	1.2
761.44305	1.9
779.46234	4.1
781.45105	1.2
809.43549	1.4
881.49030	20.3
882.49524	3.7
941.51208	100.0
942.51526	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	941.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18403	2.1
71.01390	30.4
73.02946	6.7
83.01377	4.5
85.02959	17.9
87.00868	6.9
89.02461	11.4
95.01398	3.7
96.96014	2.9
97.02951	2.3
101.02469	24.7
102.24879	2.1
111.61286	2.1
113.02469	7.6
119.03551	3.2
119.05036	15.6
127.04019	3.8
131.03522	3.3
145.02922	2.6
159.03018	4.1
161.04553	10.1
163.04053	12.9
191.05701	4.7
453.34189	3.8
471.34821	4.6
528.33801	2.6
549.22498	2.7
615.38611	3.2
617.38922	3.7
633.40613	3.5
651.96234	2.4
663.37152	2.7
779.44946	5.9
881.48657	9.1
941.51154	100.0
942.51270	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	939.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28421	2.2
69.28820	8.8
71.01389	63.6
72.99312	2.3
73.02949	21.2
75.00887	1.2
83.01386	9.2
84.40405	1.1
85.02956	36.3
87.00867	2.2
88.24775	1.0
89.02433	5.1
91.93456	1.1
93.03423	1.5
95.01385	4.8
96.96005	2.0
97.02949	2.0
99.00919	10.2
101.02455	46.5
111.00854	1.9
113.01740	1.6
113.02477	25.4
123.79388	1.1
125.02444	2.3
129.01877	2.6
143.03477	3.5
149.04553	1.1
159.02972	7.3
161.04567	32.4
173.04419	1.1
191.05667	5.4
229.17981	1.9
313.16583	2.8
331.17645	74.0
332.17953	4.3
373.18686	100.0
374.19220	6.2
391.23706	2.8
404.81873	1.3
417.17480	5.6
511.69095	1.6
521.33319	71.8
522.33429	6.5
658.27057	1.3
802.07446	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.0
71.01392	29.5
71.55169	1.3
72.99320	8.6
73.02951	7.9
75.00880	35.9
79.45738	0.9
83.01421	4.8
85.02960	25.2
87.00903	4.8
89.02461	6.9
93.03457	1.2
95.01390	3.5
96.56983	1.0
96.96014	1.8
97.02956	1.2
99.00874	7.2
101.02455	16.3
111.00883	2.8
112.85800	1.0
113.02462	11.9
115.00407	1.4
117.01928	1.5
121.44983	1.0
125.02450	2.3
131.03493	3.7
143.03519	1.6
161.04581	2.6
173.04526	1.7
173.39014	1.2
191.05669	3.7
216.96956	1.0
246.27641	0.9
268.37717	1.1
303.11813	1.2
367.82654	1.1
521.33203	1.4
621.83698	1.2
648.49286	1.1
794.76025	1.2
939.42609	100.0
940.42688	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	13.4
69.39249	15.8
71.01407	2.9
73.05405	2.2
83.01391	8.8
85.02890	1.7
89.02448	2.8
93.03451	2.1
93.55047	2.1
95.01386	2.9
96.96014	4.1
107.01406	21.3
109.02951	2.7
116.99265	1.7
117.14185	2.1
121.02960	2.3
123.00838	2.7
124.01636	8.8
125.02422	6.6
148.01651	2.2
151.00381	90.8
152.01176	30.6
153.01993	4.0
163.00345	4.3
165.01912	2.1
169.01392	7.2
175.00333	5.6
175.03944	2.9
178.99878	85.3
180.00171	2.0
186.53571	1.9
191.05623	4.7
192.00665	6.4
192.16348	1.9
193.01411	12.7
203.03488	4.5
211.03845	1.7
213.01993	2.5
215.03433	2.7
226.02711	6.4
227.03427	9.4
228.04167	2.9
229.01512	2.2
237.02000	3.4
239.03571	2.7
241.05278	2.3
242.02216	4.1
253.01451	6.4
254.02132	16.9
255.03053	11.5
256.03873	2.6
267.02966	4.7
269.00873	3.8
270.01804	2.7
271.02634	4.8
281.00964	4.4
282.01663	2.3
283.02368	2.0
285.04242	2.3
293.04471	2.3
293.82587	2.1
295.02698	3.1
299.01822	2.3
317.04919	2.3
346.04987	2.3
381.68881	1.9
389.03061	13.2
404.05411	2.2
406.03137	4.0
407.03854	9.9
416.01416	2.2
417.06778	2.1
419.07678	7.6
420.05133	2.5
423.06970	2.4
433.01611	4.1
435.07022	6.0
447.03375	3.1
461.94318	2.0
481.80627	2.2
569.08820	3.0
597.06677	8.1
615.08124	11.3
691.56726	2.0
777.13184	67.2
778.13916	10.6
939.18359	100.0
940.18268	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	937.466
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	35.8
72.99326	2.4
73.02969	0.6
75.28087	0.5
77.46641	0.6
83.01395	1.5
83.05045	2.2
85.02966	7.5
87.00875	2.9
89.02453	49.3
95.01429	2.2
96.35637	0.6
99.42065	0.6
101.02454	21.0
102.29179	0.6
111.34382	0.6
113.02461	16.2
119.03516	20.4
119.04347	1.3
121.06676	0.6
123.08195	0.6
131.03531	2.5
135.04456	1.1
135.11826	1.0
143.03526	6.8
149.04572	2.3
159.11826	0.9
161.04573	8.5
161.13373	88.4
162.13705	3.6
173.04639	0.9
176.40512	0.5
179.05630	42.0
180.06053	0.6
191.05666	2.5
194.22464	0.6
205.12349	100.0
206.12680	3.9
229.30322	0.7
230.45085	0.6
249.11342	20.5
250.11745	1.4
429.17636	42.5
430.17975	2.9
446.34381	0.6
494.55765	0.6
516.73114	0.6
545.52777	0.6
695.76813	0.7
816.24957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53311	2.3
70.78423	4.7
71.01386	53.8
72.99330	4.3
73.02962	4.1
81.03457	2.9
83.01385	3.6
83.05050	5.2
85.02951	7.2
86.57543	2.5
87.00896	5.3
89.02459	26.0
95.01388	3.6
96.96010	7.6
97.02953	12.7
99.00923	2.9
101.02448	18.0
108.27892	2.3
109.06593	30.3
113.02465	13.2
119.03490	6.4
125.02459	7.9
135.08160	4.8
136.16528	2.3
139.34659	2.8
143.03505	3.2
161.04515	5.5
163.11292	19.9
171.10289	8.9
179.05600	10.0
181.12363	4.6
189.09140	2.6
191.05693	2.4
191.46866	2.3
201.11295	4.2
207.10281	100.0
208.10625	4.3
209.11893	8.6
221.06685	2.9
225.11346	57.2
235.08183	6.2
241.03271	2.5
276.16458	3.0
277.21729	71.8
305.08838	4.3
379.12720	5.4
395.85321	3.4
397.13565	55.9
415.14743	13.8
605.24530	7.7
623.25677	20.3
789.04327	3.2
883.47076	46.3
884.46960	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	937.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18423	0.4
67.87315	0.4
71.01393	2.9
71.57122	0.6
73.02943	0.8
83.01405	0.7
85.02943	1.1
85.49313	0.4
101.02454	1.7
113.02454	1.2
125.02505	0.6
135.04555	0.5
142.11794	0.4
151.00360	1.6
151.01456	0.4
161.04553	1.1
177.02097	0.4
178.99794	0.5
191.05609	1.1
194.89360	0.4
199.03976	1.3
201.01910	0.4
215.03491	1.2
227.03549	1.3
242.02170	3.7
243.02994	19.9
244.03404	0.9
255.02965	1.0
257.04581	5.9
270.01727	4.2
271.02496	20.2
272.02872	1.5
272.89111	0.4
285.04092	11.9
286.04861	3.7
299.02026	6.2
300.02823	3.2
314.04358	44.1
315.05017	9.4
316.05380	0.6
357.06143	1.1
373.22324	2.4
415.23389	1.4
477.10400	100.0
478.10703	8.6
752.92749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	14.9
89.02420	7.0
96.14057	3.2
96.96043	4.1
101.02470	10.6
106.71915	3.3
113.02486	5.9
116.94529	3.6
119.03523	4.2
121.90737	2.7
125.02407	5.4
127.31807	3.2
158.09631	3.0
179.05664	4.3
209.11830	63.2
227.12881	17.2
293.17941	6.2
293.21234	100.0
397.13550	44.2
415.14639	15.1
607.25531	6.1
673.34973	4.7
691.35950	7.9
768.36731	3.7
877.45099	4.8
937.45746	32.1
938.46863	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	935.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	13.3
71.55083	16.9
78.95907	21.5
87.00890	14.9
89.02456	17.4
96.96001	18.2
101.02420	14.3
106.34650	10.9
109.06583	14.1
116.92830	10.7
174.25426	9.1
175.96136	11.2
207.10332	47.9
211.13464	10.6
225.11296	38.4
253.58533	10.3
293.21194	100.0
397.13321	44.1
415.14523	28.2
469.47992	12.1
487.49045	11.1
771.31854	11.6
875.47327	11.7
899.46460	92.7
933.31970	12.1
935.44794	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	935.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.8
71.01391	9.5
72.99294	0.6
73.02956	4.9
83.01376	1.3
83.05036	1.0
85.02961	4.1
87.00893	1.3
89.02451	1.1
93.03465	2.4
96.96008	0.8
97.44685	0.6
99.00888	1.2
99.04536	1.8
101.02475	5.2
109.02943	0.9
109.06571	0.6
111.04519	0.8
113.02498	3.2
113.06104	5.9
119.05009	0.6
123.08170	1.2
125.02455	1.2
133.51675	0.7
134.03743	0.7
137.06143	1.5
137.09756	5.8
139.07718	0.7
143.03461	1.1
149.06097	0.9
151.07645	2.6
151.11273	0.6
153.09235	16.2
155.42923	0.6
161.04572	2.5
161.09726	0.8
162.03316	0.7
163.11288	3.4
165.09218	17.2
166.09645	0.8
173.04562	2.2
175.07697	1.1
187.11299	4.1
191.05618	11.1
192.05969	1.4
193.12363	1.5
203.05612	5.2
205.12344	12.3
208.11017	2.0
223.13409	100.0
224.13791	4.5
229.59453	0.6
271.02515	1.5
300.02737	2.3
301.03491	0.9
328.84329	0.7
331.17688	1.1
367.17792	2.0
379.60968	0.7
427.19620	1.7
463.08658	3.0
463.21875	11.8
471.18420	1.0
483.15469	1.8
498.08270	0.6
718.82831	0.8
958.32782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93751	3.8
65.39195	4.0
70.56583	8.0
70.56944	9.0
71.01398	64.3
73.02966	4.1
81.03460	4.5
85.02948	7.8
87.00876	7.4
89.02454	27.0
91.27639	3.9
96.96015	8.9
97.02948	8.0
98.20571	5.4
99.00888	7.1
101.02455	31.8
113.02442	17.1
119.03467	8.8
125.02471	11.1
125.09743	6.2
161.04660	6.6
166.84286	6.1
171.10289	39.4
179.05626	9.0
181.12337	6.5
199.09816	32.9
201.11374	48.6
207.10281	26.7
221.06714	7.1
225.11328	31.4
235.08284	6.7
255.23323	100.0
256.23648	9.5
379.12341	13.9
397.13571	75.2
398.13879	6.8
415.15076	21.4
434.91260	4.9
564.52954	4.3
653.37543	10.1
730.94116	4.9
835.47369	29.2
843.44458	6.6
861.48492	34.8
879.49261	12.6
895.29919	6.1
897.50409	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75957	3.7
89.78727	0.6
92.03515	0.6
93.99110	0.8
96.96005	0.7
98.20628	1.2
157.87047	0.6
163.07620	1.2
192.49283	0.7
228.20422	0.6
281.61679	0.7
407.33185	1.2
455.35330	100.0
456.35715	9.7
490.66043	0.7
696.19672	0.7
933.69629	82.0
934.69977	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	933.6963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33264	7.9
72.13535	0.8
89.02448	0.9
96.96025	2.6
99.84854	0.9
209.11853	6.3
209.13513	1.0
227.12810	2.7
255.23315	3.4
336.05551	1.1
379.12537	1.3
389.42056	1.0
397.13617	4.7
455.35333	96.0
456.35669	11.2
653.37695	1.0
738.54218	1.1
933.52271	4.1
933.69574	100.0
934.69855	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	931.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	6.3
71.55027	1.2
73.02974	1.0
83.01394	1.3
85.02966	4.0
89.02477	2.3
101.02428	5.6
113.02457	2.6
119.03468	1.0
131.03511	2.0
135.16583	0.8
192.26445	0.9
236.73590	1.0
455.35297	21.3
456.35519	3.0
569.38550	5.1
587.39899	5.8
733.45282	10.4
734.45538	1.7
843.18591	1.0
895.50690	49.6
896.51172	7.8
931.48322	100.0
932.48669	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63768	4.0
71.01393	9.9
73.02921	1.8
73.40797	1.4
85.02934	6.3
87.00872	1.3
89.02444	3.4
101.02440	7.1
113.02459	2.5
117.59783	1.2
119.03481	1.7
121.70500	1.1
131.03488	3.4
143.03511	2.0
191.05687	1.7
250.07747	1.2
262.87866	1.3
326.02957	1.2
331.40393	1.2
453.33725	3.9
455.35220	16.4
456.35748	2.1
569.38470	2.3
587.39667	4.2
731.44305	2.6
733.45557	8.7
749.44916	14.3
750.45526	4.9
751.45465	4.8
893.49286	10.5
894.49805	1.9
895.50531	51.8
896.50751	7.0
931.47858	100.0
932.48157	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	931.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64931	4.7
70.95883	10.4
70.96231	7.1
71.01395	11.3
74.02924	4.0
77.85725	3.9
89.02462	13.0
92.92837	8.2
93.72701	4.8
96.04272	5.0
101.02433	14.0
108.90166	6.8
119.30779	4.0
121.03022	6.4
125.02517	4.8
163.72632	4.6
209.04590	5.7
209.11830	100.0
215.31261	5.0
227.12936	22.8
235.08340	7.6
255.23346	45.3
260.95496	5.4
379.12555	23.9
397.13620	61.2
415.14578	9.0
455.35388	48.5
456.35468	17.7
474.36441	6.2
547.85858	5.6
589.24615	6.7
607.26312	8.4
635.36371	11.7
653.37939	13.0
845.49353	8.3
931.50195	55.3
932.50824	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	931.419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03497	0.6
69.54326	4.6
69.54659	1.1
71.01388	41.5
72.99317	3.6
73.02960	1.6
83.01394	1.7
83.05050	2.3
85.02952	7.3
87.00862	3.4
89.02454	53.4
93.03476	2.9
95.01409	2.3
96.96030	6.0
98.19897	1.2
100.77762	0.6
101.02451	21.4
107.03506	0.8
113.02462	18.6
118.98682	0.7
119.03519	21.7
123.08221	1.4
131.03545	3.9
133.02997	1.5
135.04514	1.2
135.11754	1.1
137.02509	0.8
143.03520	6.6
149.04616	3.7
161.04596	8.9
161.13374	89.0
162.13689	3.6
173.04576	3.0
179.05621	36.5
179.10721	0.9
179.14479	0.8
191.05602	6.2
205.12346	100.0
206.12663	4.4
223.13530	0.8
249.11348	25.6
250.11710	0.9
272.30847	0.9
330.72452	0.8
351.07169	0.7
353.08563	1.0
393.36472	0.8
408.20361	0.8
429.17661	46.1
430.17999	3.1
467.15387	1.6
931.28986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88138	5.1
71.01389	25.4
73.02938	7.7
78.95926	7.3
79.85122	5.6
83.01375	7.6
85.02959	14.1
89.02424	10.1
90.66257	5.7
96.96061	11.7
101.02451	23.7
104.11829	5.8
115.52381	6.2
131.03542	16.9
191.05585	17.3
271.93466	6.0
328.78555	6.3
373.13879	6.1
656.47028	6.5
706.47162	8.4
707.45923	11.6
708.46576	12.8
868.51874	11.9
869.51691	21.5
870.52246	100.0
919.69574	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	931.419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03497	0.6
69.54326	4.6
69.54659	1.1
71.01388	41.5
72.99317	3.6
73.02960	1.6
83.01394	1.7
83.05050	2.3
85.02952	7.3
87.00862	3.4
89.02454	53.4
93.03476	2.9
95.01409	2.3
96.96030	6.0
98.19897	1.2
100.77762	0.6
101.02451	21.4
107.03506	0.8
113.02462	18.6
118.98682	0.7
119.03519	21.7
123.08221	1.4
131.03545	3.9
133.02997	1.5
135.04514	1.2
135.11754	1.1
137.02509	0.8
143.03520	6.6
149.04616	3.7
161.04596	8.9
161.13374	89.0
162.13689	3.6
173.04576	3.0
179.05621	36.5
179.10721	0.9
179.14479	0.8
191.05602	6.2
205.12346	100.0
206.12663	4.4
223.13530	0.8
249.11348	25.6
250.11710	0.9
272.30847	0.9
330.72452	0.8
351.07169	0.7
353.08563	1.0
393.36472	0.8
408.20361	0.8
429.17661	46.1
430.17999	3.1
467.15387	1.6
931.28986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	12.9
71.16581	1.7
73.02953	2.2
77.91348	1.9
82.37739	1.7
83.01414	2.2
85.02971	9.9
85.08089	2.0
87.00856	1.7
89.02457	6.3
96.96018	7.9
99.08234	2.3
101.02469	10.9
113.02457	4.6
128.42384	1.8
131.03520	2.5
143.03494	2.2
150.99176	1.8
160.10799	1.9
191.05602	3.8
209.11784	4.4
273.38489	2.0
288.81100	2.1
293.21347	2.4
453.33746	12.5
534.70642	2.1
731.42969	9.4
749.44580	19.7
750.44714	2.4
893.49091	56.7
894.49664	9.5
929.46954	100.0
930.47528	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	929.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86017	1.9
70.86351	2.4
71.01389	5.1
73.02945	2.1
85.02955	3.9
89.02459	2.9
96.96009	1.1
101.02450	4.6
103.04086	1.0
113.02461	2.7
131.03564	1.8
453.33728	5.0
480.18188	1.2
731.43903	9.8
732.44312	1.4
893.31140	1.3
893.49042	44.4
894.49231	8.3
929.46790	100.0
930.47021	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	929.294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92915	0.3
70.91808	0.3
71.01012	0.6
71.01393	10.2
71.56648	0.4
72.54915	0.3
72.99310	0.8
73.02956	0.6
81.03480	0.5
81.18082	0.3
83.01392	0.8
85.02964	2.3
87.00872	0.4
89.02457	9.0
89.03012	0.5
89.03962	1.6
95.01395	1.1
95.05026	0.3
99.04517	0.4
101.02460	7.1
105.03490	1.9
109.02971	0.7
111.04520	0.7
113.02470	3.3
119.03542	3.2
119.05033	1.9
121.06590	1.1
123.08193	1.9
129.53221	0.4
133.02977	8.3
148.05333	0.3
149.02397	0.7
163.04065	1.6
171.11816	2.2
177.01949	100.0
178.02283	3.0
179.05609	0.5
181.05183	0.5
181.55759	0.3
187.11430	0.4
189.12888	4.2
191.05669	0.7
211.31248	0.3
215.10765	0.8
216.35831	0.3
233.11844	1.1
236.58423	0.3
277.10858	2.5
457.17227	85.7
458.17569	6.7
471.11475	16.2
472.11444	1.4
526.90179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95622	17.7
71.01391	15.0
86.52332	3.4
89.02461	12.8
97.02949	4.2
98.20002	4.0
99.95397	3.3
101.02454	9.1
113.02464	8.6
119.03490	5.2
125.02456	6.7
137.69670	3.6
147.62836	3.7
159.44087	3.9
167.39214	3.6
209.11839	100.0
210.12230	4.9
212.20068	3.3
227.12993	29.3
235.08315	4.1
236.30139	3.9
283.26434	65.2
305.08871	5.7
323.09979	4.1
379.12698	25.5
397.13507	77.1
415.14658	18.9
524.49072	4.3
568.27985	3.7
589.25537	4.6
607.26062	9.5
663.39691	8.3
681.41199	8.8
927.51245	50.8
928.51947	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	927.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.3
71.01389	21.1
72.01730	0.4
72.99315	3.8
73.02956	6.1
75.61755	0.3
81.03445	0.4
83.01386	7.0
85.02959	15.7
85.98992	0.4
86.00089	1.1
87.00883	1.5
89.02454	7.6
95.01403	2.0
95.01934	0.4
96.96023	1.0
97.02961	0.6
98.20699	1.1
98.71189	0.4
99.00896	2.3
101.02454	23.3
103.04006	1.8
103.85719	0.4
112.01707	0.4
113.02463	8.0
119.03529	2.7
128.96071	0.3
131.03514	16.1
132.03960	0.4
137.51309	0.4
138.60240	0.4
143.03453	0.8
159.02966	0.4
161.04538	1.7
179.05615	0.5
191.05600	0.6
212.85098	0.4
229.49181	0.4
268.17657	0.5
559.40100	1.8
705.45844	29.2
706.46661	3.2
721.45831	1.9
739.39417	0.4
832.71716	0.5
867.51141	100.0
868.51483	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	927.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91415	1.1
71.01389	86.2
71.33042	1.6
71.33370	1.4
72.01733	1.9
72.99296	5.1
73.02943	2.0
74.03551	1.5
78.95918	1.4
83.01398	1.9
85.02953	13.5
85.68427	1.2
87.00892	5.8
89.02453	100.0
95.01375	5.3
96.96011	5.4
98.51314	1.3
99.00882	1.4
101.02458	38.4
107.03487	1.6
113.01733	2.4
113.02460	34.9
119.02665	2.3
119.03512	41.0
128.19885	1.1
131.03491	5.5
143.03525	12.7
149.02440	4.2
149.04561	4.1
161.04567	16.7
166.06293	2.3
179.05620	76.6
181.08702	2.2
191.05566	6.6
224.60039	1.2
225.14903	1.9
329.13989	3.8
359.14896	5.9
387.20117	4.2
446.70483	1.5
729.68610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4968
Annotation	Ilekudinoside E
Peak:m/z	Relative Intensity
67.01891	0.3
68.99802	0.3
71.01389	9.4
71.05026	0.4
71.57713	0.4
72.99309	1.4
73.02962	1.9
83.01382	1.3
86.00099	0.8
87.00877	1.1
87.04531	0.5
89.02454	3.6
89.76923	0.3
93.03463	1.5
95.01389	0.7
96.71165	0.4
96.96020	3.4
98.95599	0.5
99.00887	0.8
101.02444	7.8
103.04012	0.9
111.04543	0.4
113.02469	2.6
116.92866	1.3
119.03512	0.9
125.02437	0.4
131.03522	5.0
134.03703	0.5
135.04546	0.5
137.07976	0.3
137.95613	0.3
143.03557	0.4
161.02460	0.3
161.04538	0.7
173.04536	1.2
179.03580	0.4
179.05626	0.5
191.05629	2.1
251.12874	0.4
275.09433	0.3
403.30096	0.9
405.31732	2.1
409.31039	0.7
439.32126	1.0
449.14450	1.3
469.33286	1.2
471.34711	0.5
585.38422	0.4
601.37445	0.7
603.39246	1.6
635.39404	0.4
685.42944	0.7
747.43353	10.5
748.43188	1.7
765.44336	100.0
766.44629	18.0
807.45483	0.5
846.96570	0.5
865.49011	0.8
909.49298	0.7
912.49780	0.4
927.31879	0.4
927.49237	5.8
928.49835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56396	48.4
86.08490	29.0
96.31566	28.0
97.12609	28.6
209.11838	100.0
210.12126	36.1
282.25357	27.7
397.13150	50.9
439.32281	84.6
770.22156	33.1
826.92780	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76048	10.3
68.48488	9.4
69.49014	10.5
71.01392	21.4
71.56504	12.3
81.54499	8.4
81.97610	8.5
89.02483	9.9
101.02441	24.4
102.17976	9.5
106.64181	8.9
109.06580	21.8
207.10269	75.3
225.11325	37.8
283.26456	70.3
379.12491	27.3
397.13583	90.6
415.14316	15.6
605.24579	22.6
681.40381	18.7
889.51807	100.0
890.51550	20.0
925.49200	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13326	0.6
67.01881	0.6
69.35914	4.0
69.72603	0.5
71.01392	19.7
71.05016	1.0
72.99326	3.1
72.99679	0.5
73.02956	5.6
76.48431	0.6
83.01395	6.6
85.02456	1.0
85.02959	15.3
86.00085	0.8
87.00899	0.9
89.02457	7.7
95.01385	2.1
96.96014	0.6
99.00861	1.2
101.02456	21.5
103.04028	1.4
112.98730	0.6
113.02469	6.3
115.76502	0.6
119.03496	2.6
122.82047	0.6
125.67889	0.5
131.02548	1.0
131.03505	14.9
131.04478	1.0
136.53168	0.6
143.03503	0.9
161.04468	1.1
191.05537	0.7
234.25931	0.6
311.18073	0.6
442.75308	0.6
471.34833	0.9
557.38580	1.5
613.93311	0.6
703.44305	31.5
704.44897	3.9
719.44006	2.0
745.51288	0.7
865.49597	100.0
866.50067	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	923.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.5
69.75843	17.1
71.01390	18.6
72.78461	3.2
78.95938	4.9
83.05028	6.9
85.02959	3.9
89.02477	12.0
89.11650	3.6
96.96025	22.3
98.19940	3.9
101.02455	15.5
106.99433	4.0
161.04558	4.0
163.11293	4.4
209.11859	100.0
227.12910	13.2
235.08188	4.4
246.41669	4.2
255.23326	48.5
281.08890	4.0
295.47110	4.5
379.12598	12.7
392.17404	4.6
397.13611	31.4
399.02350	4.2
538.51709	4.3
540.56042	4.1
706.44611	4.5
838.00073	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	924.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48753	35.1
69.03174	40.4
93.74666	41.5
93.84567	34.7
98.19857	81.4
123.23438	43.5
160.94136	40.3
207.10307	49.0
229.68826	46.1
455.35269	100.0
737.19330	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86817	1.5
71.01389	16.6
72.99310	2.9
73.02943	5.0
82.66783	1.4
83.01382	6.7
85.02969	15.6
89.02437	6.6
96.96000	4.7
98.19836	2.8
100.95849	1.7
101.02459	19.9
103.03986	1.8
113.02487	8.1
119.03526	2.3
119.55912	1.4
120.55954	1.4
125.13721	1.4
131.02682	1.8
131.03526	17.1
244.05318	1.6
263.71021	1.5
426.88242	1.7
695.78339	1.5
701.42719	17.6
702.42908	2.0
717.41589	2.0
749.44806	2.3
784.23102	1.9
863.47980	100.0
864.47876	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01870	1.1
71.01393	24.1
71.56285	1.5
72.99313	2.3
73.02949	6.6
83.01402	8.4
85.02955	15.3
85.29211	1.0
86.00098	1.8
87.00858	1.2
89.02461	6.5
90.56741	0.9
91.51907	0.9
94.95609	1.0
95.01418	1.7
96.96032	2.3
99.00887	1.2
101.02457	22.2
111.00909	6.9
113.02476	8.0
119.03539	1.6
131.03516	17.0
161.04565	1.2
179.38496	0.9
320.23471	1.1
356.97324	1.1
555.36621	1.4
701.42725	25.5
702.42767	3.2
717.42200	1.6
863.48029	100.0
864.48401	20.2
923.48462	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	921.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	22.4
72.99315	2.3
73.02965	6.5
78.95939	1.2
83.01398	5.5
85.02957	14.6
87.00896	1.8
89.02458	8.5
95.01386	1.8
96.96040	1.7
101.02454	21.4
113.02451	7.3
119.03560	2.2
131.03532	16.1
149.24261	1.2
179.05611	1.5
191.05640	4.0
242.35844	1.2
282.89032	1.2
336.60742	1.2
421.31027	9.8
699.41156	31.6
700.41284	4.3
851.55841	1.4
861.46436	100.0
862.46619	15.3
883.48523	1.4
921.46960	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	921.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71683	1.9
67.94541	1.4
69.03478	1.6
70.29977	6.2
71.01396	21.2
72.99303	1.8
73.02948	3.4
75.09653	1.5
80.02675	1.8
81.03446	1.8
82.95432	2.7
83.01395	3.2
83.05026	2.5
85.02959	5.7
87.00880	5.4
89.02459	18.7
96.96024	3.8
97.02960	10.8
98.19931	1.8
99.00872	6.0
99.92592	1.8
101.02454	17.4
109.06597	35.9
110.03752	2.5
113.02453	9.6
116.92886	19.3
119.03532	4.0
121.02898	1.4
121.06646	2.4
125.02444	6.6
135.08154	3.3
136.05368	1.7
142.02748	2.8
143.03502	2.9
161.04530	4.7
161.09770	2.7
163.10016	2.4
163.11298	21.5
179.05632	4.9
181.12334	5.6
189.09206	2.2
199.13318	1.4
207.10280	100.0
208.10617	5.2
209.11804	4.1
221.06705	1.9
225.11343	47.2
226.11658	2.8
235.08244	6.0
243.12372	4.5
255.23314	70.7
256.23663	4.7
287.07849	2.2
379.12524	9.1
386.67642	1.6
397.13522	44.9
415.14587	8.7
587.23395	4.0
605.24823	10.3
623.26001	9.8
653.37683	2.3
777.26434	2.0
861.48541	87.1
862.49457	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99573	15.6
69.65632	15.0
71.01389	22.4
73.02968	4.8
85.02969	3.9
87.00887	6.9
89.02462	20.4
91.28777	2.4
96.96059	3.6
97.02977	4.0
97.81304	2.3
98.20634	4.7
101.02457	19.0
112.98595	15.2
113.02448	12.5
116.92892	11.8
119.03537	4.2
121.38862	2.4
125.02438	6.1
143.03500	3.4
161.04533	3.0
167.10764	4.7
179.05602	6.5
179.14519	4.1
195.13882	10.9
202.23058	2.4
205.12323	10.6
223.13412	100.0
223.15639	4.9
224.13672	5.8
235.08159	8.4
245.51102	2.6
255.20680	4.7
255.23312	78.9
256.23672	3.2
379.12717	13.3
391.03549	2.6
397.13504	63.5
398.13712	3.8
415.14597	9.5
603.26501	16.8
621.27655	6.1
635.35699	4.0
653.37756	10.8
800.45392	3.4
859.50116	12.1
867.59558	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	919.492
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55339	1.5
69.03443	2.3
70.65091	1.9
71.01389	100.0
71.47062	2.4
72.99326	2.9
73.02966	3.9
85.02959	6.2
87.00891	6.7
89.02457	15.3
89.82030	1.8
95.01389	2.7
96.96011	2.9
97.02955	4.3
99.00906	3.6
101.02457	15.7
109.06611	6.9
111.04579	1.7
113.02460	9.2
119.03543	4.5
121.02956	2.5
123.28633	2.0
125.02454	5.8
125.09749	2.2
127.11371	2.1
137.09697	1.8
143.03511	4.2
149.73445	1.7
161.04579	4.8
163.11356	3.9
168.38705	1.7
171.10278	51.5
179.05663	3.6
181.12387	2.0
191.05644	3.7
199.09785	13.5
199.13432	2.6
201.11353	11.7
207.10272	18.5
225.11360	15.2
235.08273	5.3
243.12395	2.4
277.21744	63.4
278.22153	4.4
379.12500	4.6
397.13480	39.3
398.14078	2.3
415.14581	10.5
605.23682	3.2
623.26044	3.3
698.33270	2.3
883.46564	9.7
901.47839	2.7
919.49133	12.8
920.49908	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	919.4842
Annotation	Astaxanthin diglucoside/ Astaxanthin beta-D-diglucoside
Peak:m/z	Relative Intensity
67.44064	1.5
67.94830	1.8
71.01382	7.2
71.55305	1.9
74.51575	2.1
85.02951	7.0
89.02469	4.0
96.96009	9.3
101.02467	9.7
108.62386	1.8
113.02454	3.0
116.92839	2.2
129.53607	2.1
130.92430	1.7
131.03506	5.6
154.53668	1.7
160.04309	1.9
165.78539	1.7
201.11331	6.9
209.11815	7.7
210.11935	1.8
293.21262	8.3
309.27206	1.9
397.13528	4.0
399.39459	2.0
415.14688	2.2
721.45093	7.4
763.77899	1.9
841.07239	2.0
883.50806	31.3
884.51263	7.6
898.62646	2.2
919.48163	100.0
920.49109	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	917.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	22.3
78.95930	7.0
79.95728	7.8
87.00906	7.7
88.50642	5.5
89.02466	21.6
94.92531	7.9
94.98103	7.1
96.96039	29.2
98.19863	11.4
99.70707	4.9
101.02448	16.6
113.02509	11.7
120.76037	4.9
125.02448	14.7
171.10234	7.1
179.05609	10.9
183.76721	4.8
198.24562	5.7
199.13383	18.8
201.11339	94.7
209.11855	88.0
210.12216	5.5
227.12894	21.7
235.08131	7.2
255.23314	73.8
277.21774	7.9
323.10120	7.4
369.17090	5.1
379.12543	26.8
388.46106	5.3
397.13519	100.0
398.13919	7.3
415.14569	13.7
472.35596	5.3
581.24689	12.0
589.24921	20.5
607.25592	10.2
635.36237	12.9
653.37439	38.9
654.38867	5.4
837.48395	26.7
838.47296	6.5
863.49176	7.6
917.48291	71.7
918.48822	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	917.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01936	2.4
71.01393	52.7
71.43655	2.8
71.55715	3.2
73.02943	4.9
82.40121	2.9
83.01375	4.9
83.05075	3.7
84.91381	2.7
85.02964	12.3
87.00873	5.0
88.12057	2.4
89.02439	23.2
95.01349	3.0
96.75226	2.9
96.96058	2.9
97.02950	7.2
101.02454	17.7
102.54941	2.6
103.24614	3.8
109.06584	8.2
113.02445	11.2
119.03542	5.2
121.02898	2.9
125.02439	6.7
127.11404	2.4
143.03505	3.5
161.04561	5.7
163.11305	6.0
171.10301	30.7
179.05602	3.2
195.13925	5.9
201.11324	24.7
207.10252	16.6
209.11929	23.6
215.12938	3.0
223.13351	4.2
225.11339	33.2
226.11433	3.0
235.08228	3.7
243.12358	3.7
275.20190	5.8
291.19592	13.7
293.21271	100.0
294.21384	4.4
379.12607	4.9
397.13596	40.1
415.14600	9.9
719.43634	4.5
881.49408	15.6
899.45673	6.6
917.46832	50.2
918.46539	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	917.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	11.1
71.55984	1.6
73.02955	2.3
74.24018	2.2
75.00895	1.9
77.80708	1.7
83.01392	3.3
85.02957	7.9
89.02434	8.1
93.41254	1.7
96.96017	5.4
101.02461	10.9
106.17528	1.9
113.02431	5.4
121.02966	2.9
125.02395	2.9
131.03488	8.5
181.12627	2.0
197.11852	5.7
201.11296	2.7
209.11897	17.5
225.11301	2.8
230.63655	1.8
250.05884	2.6
287.08524	2.4
291.19638	6.9
293.21213	5.5
309.20724	11.7
397.13501	8.7
415.14563	3.9
525.60999	2.0
603.26788	2.2
647.37494	2.9
737.28845	2.2
749.45166	12.9
881.49310	44.7
882.49158	5.8
917.46655	100.0
918.47064	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.0
69.50175	7.9
71.01392	82.9
72.99320	3.8
73.02956	77.2
75.00874	2.5
83.01398	25.1
85.02963	24.7
85.03464	1.6
87.00887	3.2
89.02456	28.6
93.03510	1.7
94.28255	1.2
95.01368	6.8
96.96027	2.7
97.02950	2.7
99.00888	3.7
101.02456	100.0
106.91283	1.2
113.02464	53.1
115.92820	1.2
119.03520	13.3
120.03794	1.5
121.06623	2.0
125.02464	3.5
131.03525	11.3
137.09729	17.8
143.03508	14.8
147.02986	1.8
149.04572	24.4
155.03514	2.1
161.04570	49.3
179.05614	2.4
189.12912	6.8
191.05617	2.0
203.05646	5.8
207.14130	1.4
221.06717	17.4
233.06548	2.0
252.78728	1.3
293.08734	5.8
295.22647	1.2
375.23907	14.9
387.07129	1.4
396.75912	1.2
411.20239	8.9
417.24945	21.3
419.08237	1.6
455.15430	2.2
532.17053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95963	1.8
69.03448	2.5
69.23193	17.8
69.23604	4.3
71.01390	100.0
71.26784	2.2
72.99305	2.4
73.02952	35.6
83.01394	14.0
85.02959	44.0
87.00874	4.4
89.02446	17.5
95.01416	7.7
97.03000	2.5
99.00887	10.7
101.02451	65.5
103.22157	2.0
103.41379	2.3
113.00146	2.0
113.02468	38.7
119.03508	7.5
125.02453	5.3
127.98144	2.1
143.03520	5.6
148.46750	2.0
149.04575	11.8
159.03052	5.7
161.04575	43.9
171.92871	2.1
179.05626	5.8
191.05608	3.7
203.05588	12.7
209.15460	4.8
211.17047	3.9
211.88451	1.9
221.06712	5.2
246.65527	2.3
354.28662	2.2
362.91373	2.2
371.20795	18.4
373.22321	40.2
374.22537	2.2
413.21854	41.4
414.22174	3.2
415.23434	56.2
416.23645	3.5
435.52557	2.2
627.65643	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	915.425
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19147	0.3
71.01381	0.6
72.63744	0.3
79.55618	0.3
79.76941	0.4
81.80035	0.3
83.01394	0.7
85.02968	0.3
93.03466	1.0
96.96022	0.6
98.19871	0.8
107.01430	1.1
109.02953	0.7
121.02950	0.4
125.02484	0.5
125.34338	0.4
135.04462	0.3
151.00381	3.3
163.00385	1.2
169.01518	0.5
173.04575	0.5
175.03961	0.5
178.99852	2.5
190.02605	0.5
191.05643	3.1
199.03989	0.7
216.04245	0.8
226.02744	3.2
227.03535	1.9
243.02988	9.7
244.03532	0.7
254.02182	4.0
255.03004	3.4
257.44791	0.3
271.02484	40.1
272.03003	3.7
273.03400	0.3
299.01691	0.5
300.02759	48.9
301.03445	11.6
301.06927	0.8
302.03735	0.9
343.04776	0.7
449.14526	0.4
450.15204	0.5
462.08472	0.4
463.08835	100.0
464.09161	8.6
583.95868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43066	1.1
69.03449	4.2
71.01389	89.7
71.05619	2.1
72.01732	1.6
72.99309	3.3
73.02956	100.0
75.00885	3.6
78.95915	11.3
79.95740	3.2
83.00921	2.3
83.01395	36.3
85.02966	16.5
87.00877	3.6
88.98793	1.8
89.02458	17.4
93.03466	5.9
95.01392	5.9
96.96023	82.2
96.96991	4.8
97.02972	2.9
99.00906	2.0
101.02453	91.9
102.02798	2.6
105.01971	1.3
111.40614	1.3
113.02467	39.9
116.92804	1.4
119.03516	14.2
125.02415	4.4
131.03546	12.1
135.04575	2.5
143.03494	11.7
149.04559	21.3
155.03520	6.1
161.03273	1.9
161.04575	36.4
162.04849	1.2
173.04549	4.8
175.28444	1.3
191.05612	11.3
203.05673	6.0
207.13904	3.9
221.06671	11.3
244.13860	1.4
249.40323	1.2
275.09137	2.6
371.20572	1.7
390.26508	1.2
413.21719	3.8
433.34274	1.4
444.19705	5.7
449.14514	2.8
481.17047	1.3
691.44641	1.3
786.28015	1.6
817.42383	1.7
915.45282	2.7
915.93811	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	911.7139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83564	0.8
69.83987	1.1
79.43270	0.3
87.42107	0.3
93.49019	0.4
257.12350	0.3
407.33157	0.5
455.35336	100.0
456.35684	10.8
522.05939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27000	3.3
69.27422	1.5
71.01388	6.3
85.02952	1.8
89.02448	4.8
91.46902	0.5
93.03475	1.2
99.04532	2.8
101.02468	3.0
107.01371	0.6
113.02454	1.7
119.03547	1.4
131.51120	0.5
151.00424	3.0
163.00397	0.8
165.12822	1.7
173.04550	1.0
178.99850	1.7
191.05644	3.8
207.13947	4.7
209.11848	11.6
225.14995	4.3
227.03447	0.7
238.39334	0.5
243.02892	2.4
251.12869	1.5
252.13278	0.5
255.02959	6.8
256.03445	0.7
257.08255	1.3
269.13959	27.8
270.14148	1.0
271.02502	14.3
272.02921	1.2
275.09277	0.8
283.02316	0.6
299.02115	0.6
300.02771	29.6
301.03503	14.4
449.20297	100.0
450.20685	8.1
463.08826	29.0
464.09155	2.2
647.40192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89085	10.4
71.01365	7.8
74.10494	1.8
85.02955	4.4
87.05870	1.7
87.98952	1.8
89.02455	3.1
96.96015	6.0
101.02438	3.4
113.02471	2.6
116.92825	4.5
117.03486	8.4
119.05040	81.8
120.05419	2.0
132.05807	5.9
133.02968	10.6
135.04515	2.0
145.02969	7.4
146.69243	1.7
153.04675	2.1
161.02469	25.9
163.04027	75.0
309.72473	2.4
323.47498	2.0
370.74371	1.9
437.29739	2.1
585.37939	2.8
622.40100	2.1
717.06921	2.4
749.44928	9.0
911.48181	100.0
912.48218	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5019
Annotation	Tomentoside B
Peak:m/z	Relative Intensity
63.71629	0.2
66.07882	0.2
71.01388	3.1
72.99298	0.6
73.02940	0.8
83.01372	0.5
85.02951	2.1
86.00087	0.4
87.00859	0.6
89.02426	0.7
93.03463	0.4
95.01405	0.2
96.96020	1.2
99.00873	0.3
101.02463	2.3
103.03994	0.2
113.02449	0.9
131.03510	0.9
135.04576	0.3
143.03542	0.2
150.03185	0.2
173.04504	0.4
179.03664	0.2
191.05569	1.0
278.23804	0.2
471.34857	3.6
472.35538	0.3
485.36588	0.3
557.77631	0.2
585.38452	0.8
603.38910	1.4
749.44812	100.0
750.45178	17.1
791.45581	1.5
792.46741	0.2
829.96997	0.2
911.49847	1.8
912.50232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5383
Annotation	Ritterazine K
Peak:m/z	Relative Intensity
69.03464	1.5
69.27561	3.6
69.27979	1.0
70.51599	0.5
71.01387	52.9
71.05001	0.8
72.01685	1.0
72.99321	3.4
73.02952	16.8
75.00874	1.9
79.22037	0.5
80.75031	0.5
81.03490	0.5
83.01394	10.8
83.05035	0.5
85.02956	32.5
85.90549	0.4
86.00089	2.1
86.03284	0.6
87.00873	4.3
87.04501	1.0
89.02451	8.4
95.01403	4.3
96.96011	2.3
97.02960	2.2
99.00884	6.9
99.04513	0.6
101.02451	35.2
102.02783	0.8
102.52779	0.5
103.04012	1.9
111.00909	1.2
113.02461	20.9
115.04026	1.0
119.03492	1.8
119.05022	0.6
125.02451	1.6
127.03989	1.1
128.90179	1.2
129.01962	3.3
131.03511	3.3
143.03519	3.2
145.05072	1.0
159.02992	3.3
161.04553	9.1
163.03934	0.6
163.06149	1.0
191.05614	1.1
314.80252	0.6
331.43762	0.5
337.25491	0.7
397.30936	0.9
455.35330	2.7
459.31552	1.1
471.34598	1.0
479.32745	0.6
521.53143	0.6
569.38654	0.9
587.39594	13.8
588.40039	2.4
603.42987	3.7
604.42163	0.6
705.45447	1.4
747.45148	0.6
749.44757	50.2
750.45074	10.0
765.47931	7.9
766.48358	1.9
781.43982	2.0
829.97308	1.3
830.46783	1.8
830.97693	0.9
867.50372	2.4
881.49896	0.7
909.48566	1.1
910.49182	1.4
911.53571	100.0
912.53888	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	911.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	2.8
71.01390	72.1
71.32494	1.3
72.99328	3.2
73.02955	100.0
74.03273	1.1
75.00880	1.6
81.03447	1.8
82.15075	0.7
83.01395	27.6
85.02953	11.1
87.00877	2.0
89.02455	13.8
95.01384	3.1
95.16294	0.6
96.96049	1.0
97.02967	1.8
99.00887	1.5
101.02454	84.9
102.02802	1.5
113.02461	30.8
114.02726	0.7
116.15974	0.6
119.03514	9.3
125.02452	4.0
131.03519	9.7
143.03516	10.3
147.03021	1.2
149.04570	18.4
155.03490	2.8
161.04572	29.9
168.06108	0.7
173.09714	1.8
177.18549	0.6
184.80885	0.6
189.12868	27.5
190.13211	1.5
191.05598	1.9
203.05675	4.8
221.06689	9.2
296.51074	0.6
329.07480	0.7
382.25607	0.6
447.08804	1.0
471.34741	2.4
603.39124	1.2
749.45233	1.4
792.29883	0.7
911.50226	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	911.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45067	2.2
67.01884	4.1
67.29695	2.2
69.03455	6.0
71.01392	96.0
71.01788	5.3
72.99316	5.1
73.02956	72.9
78.68729	1.9
81.03455	2.2
83.01396	22.5
83.05003	2.1
85.02965	27.0
87.00890	12.0
89.02455	32.4
93.02936	3.5
93.03461	31.3
95.01394	9.1
96.96027	37.4
96.96967	4.4
98.20696	3.8
99.00898	2.7
101.02456	100.0
105.03426	2.3
108.73670	2.3
111.04501	5.1
113.02459	61.1
117.35606	2.2
119.03522	16.5
125.02459	6.3
131.03563	10.5
133.02945	8.2
134.03793	20.9
135.04559	5.9
137.02460	3.4
137.09727	20.4
143.03500	15.1
149.04590	22.1
155.03513	4.9
161.02505	3.7
161.04587	52.4
162.03244	9.2
165.05612	2.7
173.04553	24.8
179.05621	3.6
182.63336	2.3
189.12889	2.9
191.05637	24.7
203.05586	6.5
221.06657	16.1
226.99840	3.0
231.10309	20.2
240.96278	2.5
275.09274	71.8
276.09647	3.8
287.05502	2.4
352.39767	2.4
356.51740	2.7
375.23889	7.3
411.20331	6.7
417.24985	15.8
443.32382	2.3
449.09274	3.5
449.14694	51.5
449.27582	6.8
450.15002	5.3
534.80170	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	903.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92230	0.9
71.01369	4.1
73.02943	1.5
75.00874	14.8
78.41856	0.8
81.70713	0.8
85.02953	11.9
87.00887	1.6
95.01385	1.7
96.96056	1.8
99.00902	1.0
101.02466	2.1
113.02472	7.4
123.25423	1.0
131.03476	1.3
157.01459	0.9
166.47643	0.9
172.70363	0.8
191.05635	1.5
209.11815	3.3
209.19179	1.5
253.18050	2.0
271.19229	6.2
295.22757	3.0
455.35126	4.8
510.16776	0.9
555.36993	3.1
631.38544	100.0
632.38922	15.0
632.48962	1.6
772.84320	1.0
867.50970	6.5
868.51514	1.2
903.48767	12.7
904.48511	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	908.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28521	47.9
71.01395	25.1
72.99326	8.1
73.02941	8.5
85.02970	12.8
89.02463	11.4
101.02464	26.2
111.12142	6.4
120.72446	7.2
120.93298	5.7
131.03531	16.2
136.35475	7.1
154.22055	7.0
163.52745	6.3
197.10191	5.9
201.11308	13.1
209.11763	14.8
237.56253	7.9
281.24945	11.0
516.83130	6.6
684.41589	15.6
685.42462	17.8
686.42279	22.7
791.24170	6.5
846.47205	13.8
847.47784	30.4
848.47723	100.0
908.45978	6.8
926.95905	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	903.489
Annotation	C21217
Peak:m/z	Relative Intensity
69.45757	5.0
71.01387	8.5
72.99322	1.5
73.02951	2.5
83.01420	2.2
85.02961	5.9
87.00872	1.0
89.02463	3.8
90.60757	0.7
96.96038	1.2
99.00913	1.0
100.23975	0.7
101.02453	9.2
113.02443	3.3
131.03523	6.7
132.72273	0.7
161.04579	0.8
209.11900	1.0
252.51793	0.7
269.37463	0.7
365.20407	0.9
705.45905	11.4
706.45392	1.5
721.44043	0.9
867.51166	46.5
868.51575	10.0
903.48853	100.0
904.49060	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25699	16.0
69.26117	8.0
71.01402	20.5
73.02975	4.0
81.03490	5.4
83.05050	5.2
85.02964	11.4
87.00886	7.6
89.02453	19.5
91.01623	2.7
91.39703	2.6
96.96017	3.5
97.03002	3.4
99.00859	3.6
101.02438	15.1
113.02477	10.5
116.92897	10.5
118.76823	3.0
119.03527	4.8
125.02465	8.0
125.09787	3.6
127.11273	2.8
136.82156	2.7
143.03494	4.0
145.60358	2.8
151.00403	4.1
161.04576	5.7
163.11310	3.5
171.10278	6.0
179.05638	4.5
191.05595	27.2
201.11343	77.7
201.36121	3.1
202.11684	5.4
209.11861	100.0
210.12248	3.3
221.06561	4.6
225.11432	3.5
226.11606	3.0
227.12859	9.7
235.08252	8.2
277.18887	6.3
277.21762	77.6
278.22089	6.5
379.12564	6.3
397.13565	53.9
398.13803	5.7
415.14539	19.3
431.31631	3.2
471.34628	6.3
512.85602	3.0
581.24554	5.1
648.74176	2.9
675.36176	4.6
903.48047	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	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.6
71.01012	1.0
71.01392	14.9
71.55580	1.2
72.99308	1.4
73.02960	1.6
80.02663	1.6
81.03447	2.0
83.01384	1.4
83.05032	4.6
84.02168	1.0
85.02949	3.5
87.00883	4.1
89.02456	10.4
95.01390	1.0
95.05010	0.6
96.96009	2.7
97.02946	2.9
99.00938	0.8
101.02442	10.3
109.06583	1.2
111.04544	0.7
112.01930	0.7
113.02469	5.4
114.64520	0.6
119.03508	2.4
125.02473	5.4
125.03279	0.9
127.58043	0.6
131.03519	0.6
133.02208	0.6
135.08177	0.9
139.04001	0.8
143.03517	1.8
161.04550	2.6
162.88313	0.6
163.11308	4.4
165.12831	2.9
179.05621	2.5
179.14371	0.7
181.12383	0.8
183.13864	1.1
191.10783	1.7
195.13922	5.4
209.11838	96.4
210.12198	4.3
211.13385	1.0
221.06718	1.1
223.13365	5.2
227.12888	12.6
228.13420	0.8
235.08246	3.8
235.17049	0.6
253.09427	1.6
256.13110	0.7
275.20215	5.4
287.07590	1.1
293.21246	100.0
294.21573	5.7
305.08804	0.9
323.09546	0.8
379.12521	2.8
397.13516	38.8
398.13715	1.5
415.14621	12.3
607.26147	2.8
613.33923	0.9
643.55713	0.7
691.34723	1.0
774.06921	0.7
832.42108	0.8
901.45386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	100.0
73.02940	3.2
78.95924	2.8
83.01386	2.0
85.02951	5.3
87.00876	3.2
89.02450	10.2
96.96001	1.7
97.02952	4.3
99.00899	1.8
101.02446	10.1
109.06584	4.4
113.02444	6.3
113.76633	1.4
119.03489	3.3
125.02441	5.8
131.90314	1.2
135.08109	1.3
161.04514	2.3
163.11288	3.4
171.10283	24.1
181.12320	2.0
185.11829	1.4
185.64058	1.7
196.20538	1.3
197.11858	2.4
201.11333	16.6
207.10275	12.8
207.97655	1.4
215.12967	2.2
216.65562	1.7
221.06580	2.0
225.11351	22.3
235.08049	1.6
242.99013	1.4
243.12364	2.2
267.32794	1.4
277.18896	2.3
277.21722	29.8
278.22049	2.8
305.08771	1.5
379.12418	3.4
397.13501	23.0
415.14423	6.1
605.24609	1.9
623.25568	4.3
655.55695	1.6
883.47235	8.6
901.47620	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	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	100.0
71.55715	0.9
72.01730	1.5
72.99313	1.2
73.02951	3.4
78.95906	1.5
80.96513	1.5
83.01430	1.1
83.05023	0.9
85.02953	4.6
87.00873	3.0
89.02453	8.1
95.01432	0.9
95.05002	1.2
96.96036	1.6
97.02966	3.7
99.00894	1.5
101.02453	7.9
109.06589	4.0
111.00922	0.8
113.02442	4.8
119.03489	2.3
125.02465	3.8
125.09764	1.3
127.11268	1.0
141.02032	1.0
143.03522	1.9
155.10831	1.0
161.04549	2.6
163.11299	3.2
165.09236	1.0
171.10291	22.1
172.10574	1.0
179.05605	2.8
179.10854	1.2
181.12378	2.7
185.11884	1.1
191.05530	1.0
197.11861	1.3
201.11346	17.1
207.10269	15.7
207.35185	0.8
209.11748	1.0
215.12903	1.8
217.07060	1.0
221.06593	2.1
225.11356	20.7
226.11757	1.0
235.08279	2.3
243.12349	3.0
253.09254	1.2
259.38858	0.9
277.21762	28.2
278.22092	2.1
379.12576	3.2
397.13538	16.1
415.14462	3.8
439.14505	1.5
551.23358	1.1
605.25079	1.8
623.25385	4.2
883.46362	5.1
884.47870	1.7
901.47571	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	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.0
69.75603	4.4
71.01388	14.5
72.99332	1.1
73.02962	2.0
80.02702	1.0
81.03477	2.4
83.05016	3.8
84.02172	0.9
84.67091	0.7
85.02966	2.5
87.00893	3.2
89.02449	13.2
95.01407	1.8
96.96010	5.8
97.02951	1.8
99.00895	1.6
101.02452	8.4
113.02462	7.0
119.03526	3.3
125.02470	4.7
135.08266	1.1
143.03522	1.7
154.49461	0.8
161.04588	2.3
163.11324	4.6
165.12866	3.5
171.10262	3.8
179.05621	3.0
181.12384	1.1
195.13913	6.1
209.11844	93.6
210.12242	4.5
221.06729	1.3
223.13403	4.7
227.12926	13.1
228.13426	1.3
235.08215	5.0
253.02646	0.9
253.09222	1.3
256.13327	1.3
275.20184	7.7
287.07886	1.4
293.21262	100.0
294.21558	9.1
298.92657	0.7
305.08881	1.3
379.12448	3.3
397.13538	30.6
398.13815	2.6
415.14667	14.1
508.50775	0.8
522.11755	0.8
533.35974	0.8
589.24615	0.8
607.26062	1.6
691.35779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.473
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	9.7
72.99292	2.0
73.02939	3.1
78.95914	1.2
79.95734	1.2
83.01409	2.0
85.02955	7.3
87.00880	1.2
89.02434	5.8
91.66029	0.9
96.96027	6.5
99.00943	1.5
101.02441	11.0
113.02431	4.5
114.12587	1.1
131.03503	7.4
171.10320	1.4
176.14580	1.0
183.33282	1.1
191.05598	2.2
191.95909	1.0
201.11247	1.1
207.10246	1.4
209.11781	2.2
225.11287	2.3
235.08194	1.2
277.21585	3.0
293.21283	1.2
295.22818	1.3
397.13623	1.8
429.30035	1.6
471.34375	5.1
703.44403	16.7
704.43964	2.6
837.36609	1.3
865.49622	60.1
866.50336	11.4
877.04193	1.1
901.47180	100.0
902.47699	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	899.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30262	1.1
67.83137	1.2
69.46011	8.1
71.01391	8.0
72.58438	1.2
73.02952	2.1
75.00890	2.5
78.95905	2.1
83.05021	2.2
85.02935	2.2
87.00880	2.7
89.02446	10.9
94.15668	1.7
95.01320	1.4
101.02464	7.5
113.02438	5.3
119.03490	3.4
125.02416	4.7
137.18198	1.0
143.03496	1.6
161.04564	4.4
163.11293	2.7
179.05664	6.5
185.86423	1.3
209.11839	100.0
210.12273	2.3
217.07112	1.8
227.12901	23.0
228.13251	1.2
235.08171	4.6
255.23297	36.9
256.23813	1.6
259.08136	1.4
305.08737	2.5
323.09683	3.4
379.12451	17.3
397.13525	56.2
398.13846	3.5
415.14584	11.0
515.50848	1.3
589.25165	7.1
590.25348	1.6
607.26166	9.6
635.36536	5.6
653.37683	6.3
844.90509	1.4
845.49237	1.8
899.47559	32.9
899.63312	2.1
900.48761	6.5
909.69562	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	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64644	0.9
69.03468	4.3
71.01072	1.1
71.01394	13.2
71.04996	1.2
71.54118	1.1
72.91022	0.9
72.99296	1.7
73.02943	2.0
77.71346	0.8
78.95946	0.9
80.05780	0.8
81.03441	1.1
83.01392	2.2
83.04981	0.9
83.51601	0.9
84.69244	0.9
85.02955	3.6
87.00871	2.7
89.02456	9.2
92.63142	1.0
93.16472	0.8
95.01419	0.9
96.96006	1.1
97.02968	2.3
99.00895	1.1
101.02450	7.1
113.02451	4.0
113.27863	0.9
119.03513	1.9
123.08215	1.3
125.02431	2.2
125.09709	1.9
151.11357	2.4
161.09744	2.6
179.10803	4.9
189.43163	0.9
191.05597	1.4
197.11841	34.1
198.12170	1.8
235.07985	1.5
241.10831	2.2
277.21765	28.6
278.21951	2.5
392.12546	1.0
397.13474	2.7
452.77618	1.1
863.89221	1.1
899.46497	100.0
900.46759	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	3.8
69.82710	1.5
69.83112	3.3
71.01392	13.9
71.05029	1.2
72.99311	2.0
73.02929	1.3
78.95878	1.2
83.01392	2.4
85.02939	3.8
87.00881	2.6
89.02453	9.8
96.96017	1.0
97.02962	1.8
101.02461	8.3
113.00306	0.8
113.02452	3.7
119.03519	3.0
123.08152	1.1
125.02454	2.2
125.09722	1.2
135.72574	0.8
149.52461	0.7
149.53629	0.8
151.11235	1.8
161.04558	0.8
161.09744	1.9
179.10796	4.7
197.11847	54.3
198.12088	1.8
221.06683	1.8
223.09760	1.8
235.08241	0.9
241.10898	4.0
277.21756	19.6
278.22202	1.5
397.13504	2.9
469.32913	1.8
639.24689	1.4
640.79633	1.0
655.41913	0.9
855.47565	0.9
899.46527	100.0
900.46747	20.6
900.74066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	1.6
69.03469	2.9
71.01387	21.9
71.02168	2.9
71.02498	2.4
72.99315	3.2
73.02946	2.8
79.40771	1.8
81.03461	4.6
83.01420	2.9
83.05003	3.5
85.02941	6.8
87.00872	4.9
89.02451	20.0
95.01437	1.9
95.04926	1.8
95.15150	1.6
96.96006	5.3
97.02962	12.6
99.00882	2.9
101.02451	18.1
109.02964	1.9
109.06598	36.8
113.02435	9.6
119.03529	5.0
123.04489	3.8
125.02436	6.0
135.08165	3.6
136.05295	2.6
141.01942	2.4
142.02695	3.8
143.03517	2.0
161.04555	5.0
163.11279	18.3
179.05609	4.1
181.12344	5.6
189.09261	2.3
191.05598	3.2
195.13884	7.4
205.12318	2.1
207.10271	96.9
208.10637	3.4
209.11829	15.3
221.06659	1.7
223.13405	6.9
225.09250	3.6
225.11343	50.2
226.11565	2.5
235.08200	4.0
243.12326	2.4
257.41516	2.0
275.20187	6.7
280.70078	1.7
287.07565	2.1
291.19638	8.1
293.21225	100.0
294.21469	9.5
314.17545	1.7
379.12390	3.0
397.13583	39.4
398.13611	2.9
415.14554	18.2
605.24420	9.4
623.25580	11.4
691.35321	2.4
881.44177	2.2
899.46454	62.5
900.46362	10.9
905.51959	2.0
916.72272	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	899.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45152	3.6
71.01397	5.7
72.99315	0.6
85.02938	0.9
89.02462	5.0
99.04531	3.4
101.02454	3.7
113.02460	2.7
119.03537	1.9
151.22624	0.4
153.68510	0.5
165.12880	2.1
189.12816	0.6
191.05640	1.1
207.13898	4.7
209.11859	11.7
210.33110	0.7
225.14981	4.1
251.12971	2.7
269.13962	28.0
270.14343	1.4
449.20309	100.0
450.20718	7.1
465.06088	0.5
501.27533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.458
Annotation	Tunicyclin D
Peak:m/z	Relative Intensity
68.18679	2.4
70.58791	2.3
71.01409	12.0
71.55659	2.6
72.99324	3.3
73.02924	3.8
83.01378	4.0
83.56928	3.1
85.02953	6.7
89.02431	8.1
96.96010	8.2
97.16837	2.3
101.02451	10.4
113.02444	4.7
117.90860	2.4
131.03508	6.8
149.04614	3.1
209.11838	15.8
247.08539	2.3
291.19748	11.6
397.13550	7.5
419.57339	2.4
596.20569	2.6
694.65027	2.4
701.42786	8.0
715.96216	2.6
746.59729	2.4
749.45483	5.0
751.46289	2.7
863.48102	45.7
864.48242	9.2
899.45795	100.0
900.46631	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	897.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87141	1.7
69.03477	3.7
69.82119	3.7
69.82527	6.9
71.01387	100.0
72.99309	2.0
73.02950	4.9
78.95888	3.6
80.45141	1.7
81.03469	2.3
83.01443	2.4
85.02959	7.1
87.00879	6.9
89.02445	21.2
95.01406	2.0
97.02955	7.6
99.00896	2.8
101.02459	17.9
109.06570	5.3
113.02475	9.8
119.03531	3.2
125.02449	7.0
125.09725	2.9
127.11298	1.8
141.01724	11.8
143.03516	3.9
161.04515	2.4
163.11307	6.1
171.10284	46.0
171.78857	1.7
179.05707	4.8
181.12352	2.6
199.09746	12.2
201.11351	12.9
207.10281	22.1
209.11978	2.3
221.06546	3.0
225.11394	16.9
235.08269	5.0
243.12511	2.7
255.23309	76.0
256.23630	4.1
277.21649	4.2
287.07547	2.2
305.08942	2.1
379.12463	7.1
397.13550	47.4
397.18555	3.5
398.13708	3.1
415.14731	11.0
623.26044	2.0
653.36865	2.2
835.46820	3.1
845.47888	2.3
861.48944	14.7
862.48492	2.6
879.50806	3.5
897.50067	17.7
898.50641	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	897.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48182	0.9
69.03452	1.9
69.41499	8.7
70.19376	0.9
71.01390	100.0
71.03773	1.2
72.01729	1.3
72.99311	1.4
73.02952	4.8
75.00886	1.5
78.95966	1.3
80.27523	1.0
81.03491	1.7
83.01404	2.8
83.05032	1.7
85.02966	6.2
87.00882	4.5
89.02454	17.0
95.01420	1.9
97.02962	5.0
99.00917	3.5
101.02449	14.7
109.06628	5.3
110.03755	1.4
113.02461	9.3
119.03543	5.6
125.02477	7.6
125.09739	2.4
127.11325	1.8
141.01984	1.7
143.03484	2.9
161.04555	4.1
163.11285	3.5
169.05153	1.1
171.10284	52.8
172.10612	1.7
179.05629	3.7
181.12349	2.3
191.05629	1.1
199.09784	8.9
199.59988	1.1
201.11334	12.7
207.10300	18.9
209.11670	1.5
221.06772	3.3
221.11824	4.6
225.11351	11.1
235.08250	5.5
239.12944	1.7
243.12404	2.0
255.23309	70.8
256.23682	4.7
274.77057	1.0
277.21729	3.1
287.07755	1.4
305.08755	1.8
379.12570	7.5
397.13531	43.1
398.13840	2.4
405.20349	1.2
415.14621	10.8
520.49048	1.2
623.25220	1.2
653.37238	1.1
659.92999	1.1
835.46710	3.1
861.48352	11.9
861.63776	1.7
862.48962	2.4
879.49847	2.4
897.50995	13.9
898.50183	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	897.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50379	3.0
70.50706	6.7
71.01385	28.9
72.99277	3.8
73.02933	4.3
77.73633	2.5
78.95888	3.5
83.01373	6.5
85.02957	13.5
86.33984	2.7
87.52975	3.0
89.02431	8.8
96.96010	5.7
101.02458	21.6
113.02412	7.4
131.03421	10.0
136.51241	2.6
191.05408	5.9
209.01868	3.0
236.97607	2.8
248.42741	2.6
421.30710	5.8
434.71274	3.6
456.35413	4.0
627.41260	3.7
699.40491	17.6
861.46466	63.6
862.46295	15.7
897.43359	100.0
898.44299	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	897.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01412	11.4
71.54317	6.8
73.72871	4.2
78.95922	10.0
89.02442	9.0
101.02456	7.5
101.81532	5.6
109.06583	6.0
119.03508	6.8
152.99600	10.6
161.04617	6.3
163.11328	7.4
176.11246	5.1
179.05652	9.0
207.10295	50.0
209.11902	4.9
225.11359	39.4
243.12126	6.0
255.23306	38.5
379.12271	6.9
397.13400	40.2
415.14554	11.6
428.82739	6.0
605.24554	21.6
623.25488	5.4
653.37793	5.6
738.71313	5.8
861.48322	100.0
862.49268	17.7
897.46704	99.9
898.47382	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	897.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01527	0.5
67.01894	10.2
69.03455	3.3
69.61786	0.4
71.01389	7.9
71.57365	0.8
72.99310	0.5
73.02956	1.1
78.95911	1.1
81.03456	1.7
83.01379	0.5
83.05040	1.6
85.02966	3.1
87.00888	15.0
89.02454	1.5
93.03467	78.0
94.03792	1.6
96.96024	10.2
96.96984	0.8
97.06589	0.6
99.00879	1.4
99.04532	1.0
100.22272	0.4
101.02453	2.4
101.10652	0.5
103.95840	0.6
105.03438	0.6
109.02966	1.0
111.00891	0.7
111.04531	11.8
113.02450	2.7
115.04035	0.8
117.90869	0.4
122.03770	0.5
122.82415	0.5
125.02424	1.1
127.04028	0.7
129.01962	1.9
131.03505	0.9
133.02966	1.8
134.03743	8.2
135.04553	5.1
137.01439	0.4
137.02480	0.7
139.04056	0.5
143.03494	0.5
145.02946	0.7
148.05270	1.0
149.02515	0.6
149.04575	0.5
150.03142	0.7
151.03996	0.6
155.03491	1.9
158.27393	0.4
161.02463	1.5
162.03249	4.8
163.07655	2.3
172.05489	0.5
173.04561	37.8
174.04852	1.0
175.04230	0.6
177.02071	0.5
179.03481	0.7
183.14096	0.5
186.78075	0.5
190.90965	0.4
191.05624	9.8
201.34181	0.4
216.61810	0.5
225.99420	0.4
231.10242	2.6
275.09268	13.0
276.09680	0.8
308.09097	0.6
315.18106	0.6
331.08148	0.6
351.07266	0.9
352.07867	0.9
412.31668	0.5
447.22400	3.4
448.22885	3.9
449.14560	100.0
450.14880	10.1
529.26770	0.8
626.76416	0.5
679.23627	0.6
897.46790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	5.0
69.03453	1.3
71.01393	4.4
71.56776	0.5
71.72121	0.3
73.02955	0.5
78.95931	0.4
81.03486	1.5
83.01421	0.5
83.05035	1.1
85.02950	7.5
87.00881	7.9
89.02451	0.8
89.04015	0.7
93.03469	39.9
94.03799	0.9
96.96031	6.3
97.02966	0.4
97.30507	0.3
99.00903	0.8
99.04517	0.8
101.02454	0.7
107.04996	0.5
108.02163	0.6
109.02958	1.1
111.04529	5.4
112.98605	0.4
113.02433	0.8
116.92882	1.1
117.03476	1.0
121.02911	0.6
124.01680	0.7
125.02476	0.5
126.03215	0.5
127.04054	2.3
129.01990	0.5
131.03481	0.5
132.02196	2.5
133.02972	2.8
134.03764	7.3
135.04541	20.3
137.02441	1.4
143.03468	0.6
147.04495	0.5
150.03195	1.2
151.04042	2.3
155.03458	1.5
160.01686	7.6
161.02411	1.6
162.03242	1.5
171.02936	0.6
173.04558	20.4
174.03310	0.4
174.04855	0.4
175.03972	0.7
177.01958	1.1
178.02710	1.9
179.03500	4.2
187.07692	1.2
191.05626	100.0
192.05920	2.5
209.11656	0.4
213.09259	0.5
215.07167	1.2
219.02931	1.6
229.08676	0.4
231.10295	1.0
231.61041	0.4
257.08212	5.2
275.09280	8.4
307.08331	1.0
308.08954	3.3
351.07309	4.6
352.08011	7.3
353.08420	1.0
414.82944	0.4
449.14560	58.5
450.14880	5.9
463.10818	0.7
487.17688	0.8
505.18350	0.5
608.15002	0.7
649.21301	0.4
679.24017	0.7
705.22137	1.1
735.42590	2.0
897.28479	1.1
897.48645	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	895.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	16.7
78.95906	33.6
79.95705	17.1
80.96525	41.7
84.36370	10.5
86.09113	12.9
88.98808	57.1
89.02444	53.5
90.02790	13.2
98.19886	42.4
101.02415	19.2
115.69230	15.1
223.13417	77.2
229.55513	15.4
255.23370	87.7
314.07376	13.7
367.98969	13.9
379.12668	21.1
397.13382	53.5
563.14874	12.9
603.26569	14.2
742.07257	15.7
795.24261	15.5
859.50323	40.9
895.48804	100.0
896.48273	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	895.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39162	0.1
71.01384	1.5
72.99310	0.3
73.02953	0.5
75.04350	0.2
85.02948	1.1
86.00053	0.2
87.00893	0.3
89.02453	0.4
95.01386	0.2
96.96017	1.3
98.95580	0.3
101.02448	1.2
103.04005	0.2
103.55055	0.2
113.02467	0.7
116.92892	0.8
129.01970	0.2
130.24242	0.1
131.03477	0.6
143.03358	0.2
173.04437	0.2
191.05630	0.2
219.46951	0.2
223.20813	0.2
455.35416	4.7
456.35651	0.7
469.36340	0.2
569.38690	1.4
570.38635	0.3
587.39752	1.6
588.40375	0.3
733.45361	100.0
734.45703	19.3
775.46375	0.7
895.48187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.4
71.74265	0.2
72.99323	0.3
73.02951	0.8
83.01389	0.4
85.02958	2.0
86.00108	0.2
88.98798	0.3
89.02449	0.6
95.01395	0.4
96.89026	0.2
96.96021	4.0
98.20660	0.4
98.95597	0.9
101.02451	1.9
107.66402	0.2
109.43037	0.2
113.02462	2.2
116.92835	0.5
118.01325	0.2
119.03517	0.4
131.03519	1.0
139.75385	0.2
145.10690	0.2
161.04514	0.4
183.02069	0.2
191.05603	0.3
192.06337	0.2
209.62048	0.2
248.43405	0.2
276.74695	0.2
315.65927	0.2
318.48532	0.2
453.33643	0.3
467.35394	0.7
687.44708	1.5
731.43781	100.0
732.44080	18.4
745.45721	0.2
773.44824	2.7
774.45239	0.6
893.49097	2.3
894.49512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.6663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84238	0.5
64.83920	0.5
71.56425	0.8
97.06618	0.6
103.68954	0.5
105.98331	0.5
152.24829	0.5
153.44969	0.6
171.74164	0.6
228.77451	0.6
349.94031	0.6
437.30649	100.0
438.30942	11.6
455.35440	19.8
455.41779	1.1
456.35757	3.3
587.68506	0.6
768.94958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65530	0.8
71.01387	36.0
71.57603	1.0
72.99310	3.8
73.02946	1.4
74.82700	0.7
75.08847	0.7
83.01390	2.2
83.05041	2.2
85.02962	6.3
85.04305	0.6
87.00874	2.8
89.02454	45.8
93.03484	1.1
95.01398	3.1
96.96031	5.0
101.02457	19.9
113.01741	1.1
113.02473	14.8
119.03517	19.8
125.02450	1.8
131.03500	3.1
143.03540	6.6
149.04550	2.3
151.03999	0.9
161.04549	9.5
161.13376	82.7
162.13715	3.1
163.36784	0.7
166.29277	0.7
173.04463	1.0
179.05627	40.7
180.05893	1.2
191.05682	4.1
205.12346	100.0
206.12737	5.2
211.13431	0.9
223.13551	0.7
249.11324	22.0
250.11621	1.1
300.30795	0.7
329.14243	0.9
353.08450	0.8
385.18570	0.7
400.38083	0.8
429.17694	33.1
430.18112	3.5
458.24695	0.8
463.21912	2.5
892.26593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	1.1
70.23893	0.6
71.01385	15.4
71.55525	1.0
72.99305	1.3
73.02943	2.7
80.02686	1.3
81.03448	2.4
83.00611	0.6
83.01365	1.5
83.05039	5.2
85.02960	3.0
87.00900	4.2
89.01932	1.0
89.02454	12.0
95.01416	1.1
97.02943	3.0
98.23531	0.6
99.00854	0.7
101.02458	11.6
113.02465	7.4
119.03507	3.3
125.02434	5.1
131.03461	1.3
135.08188	0.7
135.65886	0.6
143.03523	1.8
161.04604	3.0
163.11343	3.5
165.12859	1.5
179.05623	2.9
191.74063	0.6
209.11844	100.0
210.12126	5.0
217.07021	0.9
221.06671	1.0
227.12914	10.9
235.08249	5.2
253.09218	0.9
259.08035	0.6
283.26456	57.7
284.26862	4.0
287.07819	2.4
305.08881	1.2
323.09845	1.5
379.12534	7.2
397.13538	41.3
398.13882	2.7
415.14636	9.0
465.14255	0.7
597.87427	0.8
607.26599	0.9
629.75287	0.8
681.40265	1.3
694.29956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.6515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39436	1.4
67.18808	1.5
67.81927	1.4
79.08060	1.4
98.19923	5.6
107.63326	1.6
129.59595	1.6
157.49698	1.5
177.61346	1.5
191.14427	6.0
229.45030	1.8
231.13890	4.4
250.70399	1.7
303.03693	1.7
389.28470	28.7
390.28839	3.2
405.28000	15.1
423.29065	100.0
424.29559	8.5
449.26837	5.7
455.35379	31.1
456.35788	4.1
467.27982	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	891.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.1
71.01374	0.3
72.99304	0.1
73.17609	0.1
75.65129	0.1
76.08248	0.1
78.95909	0.2
79.95744	3.6
85.02959	0.3
85.17853	0.1
96.96019	100.0
97.95944	0.2
98.19946	0.3
99.00896	0.2
113.02452	0.1
113.48879	0.1
116.92876	0.2
121.28555	0.1
127.19192	0.1
129.05624	0.1
187.30551	0.1
191.05647	0.2
237.67088	0.1
290.57300	0.1
325.21399	0.1
371.17639	0.1
468.85376	0.1
542.13586	0.1
549.99976	0.1
793.43988	1.4
794.44592	0.3
891.42871	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	891.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.4
71.01376	0.3
71.03526	0.3
71.03880	0.1
72.80366	0.2
75.00893	0.2
78.95914	3.4
79.95749	3.7
85.02945	0.4
89.02460	0.2
96.96022	100.0
96.96907	3.9
97.95963	0.2
101.02433	0.2
113.02452	0.2
121.02885	0.1
148.46869	0.1
156.25194	0.2
173.04622	0.1
175.95091	0.1
180.38858	0.1
191.05620	0.3
209.11870	0.2
235.23145	0.1
745.47656	0.2
891.42242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69057	0.1
68.99582	0.1
69.03482	0.1
71.01400	0.5
77.95457	0.1
78.95894	0.1
79.95747	3.7
79.96214	0.2
85.02955	0.2
89.02453	0.3
95.01375	0.1
96.96021	100.0
97.95961	0.3
98.20689	0.2
101.02449	0.2
112.98561	0.1
113.02447	0.2
119.03494	0.1
161.41425	0.1
180.48686	0.1
210.99258	0.1
258.03458	0.1
569.38397	0.2
613.37506	0.3
793.43774	1.3
794.44244	0.3
795.99475	0.1
831.39514	0.1
891.40338	0.6
892.41058	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	889.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.6
64.30778	0.5
71.01388	11.9
72.99290	1.3
73.02950	0.7
83.01393	0.7
85.02945	3.5
89.01939	0.8
89.02459	10.7
93.03474	1.1
95.01404	1.1
96.96020	2.4
99.03918	1.0
99.04528	14.5
101.02459	6.5
111.04510	1.0
113.02454	4.5
115.09389	0.5
119.03519	3.4
121.30725	0.6
146.29048	0.6
153.94785	0.7
158.32321	0.5
161.04544	0.8
166.16859	0.5
173.04530	0.8
179.05598	0.7
189.12886	5.0
191.05592	1.8
192.82442	0.5
200.03630	0.5
200.05919	0.5
201.12718	0.5
207.13907	21.1
208.14337	1.0
251.12898	40.1
252.13185	2.3
269.13947	0.6
322.27069	0.6
413.22003	0.9
431.19226	100.0
432.19510	9.5
770.54639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.7
69.28236	2.7
71.01411	0.5
75.08873	0.3
82.87032	0.3
83.05056	0.3
87.94906	0.3
89.03985	0.3
91.01904	2.6
96.99326	3.4
98.20677	0.5
108.02195	0.7
109.02945	2.2
111.00867	0.4
117.03465	1.5
121.02987	0.8
123.04538	4.6
128.32843	0.2
133.02960	0.4
134.03754	13.6
134.25685	0.3
135.04424	0.4
137.02432	0.6
145.02962	2.1
146.03758	5.0
147.04526	2.5
148.01746	0.6
148.05246	0.4
149.06131	1.8
153.05612	0.4
158.03754	4.8
158.13979	0.3
159.04530	9.0
160.01671	0.4
160.05029	0.3
161.02499	0.4
161.06087	2.1
163.04066	1.4
173.06075	3.6
174.03300	0.6
174.06422	0.3
175.03992	1.1
178.02675	1.6
179.03503	0.6
187.04008	0.8
191.05605	0.7
193.05057	6.0
194.05524	0.3
224.04503	0.3
231.67381	0.3
239.07034	0.6
241.04997	0.7
249.05403	0.5
250.06308	0.5
256.07382	0.8
265.05258	0.3
265.08624	0.4
266.05872	2.6
267.06631	2.8
268.07318	1.1
269.08096	0.6
271.09720	1.5
277.05090	0.6
280.07458	1.0
281.08206	5.7
281.11353	0.3
282.08926	2.7
283.09705	1.9
284.10654	2.0
294.05304	0.7
295.06119	6.6
296.06375	0.4
297.11356	0.7
309.07663	1.0
310.08472	8.5
311.08597	0.4
325.10828	5.2
326.10950	0.6
339.05200	0.5
343.11963	0.8
354.07480	1.7
355.07904	0.3
364.94244	0.3
369.09802	2.4
387.10873	100.0
388.11209	8.0
616.35175	0.3
746.63434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.3
67.56841	0.9
69.03452	1.6
71.01389	45.8
71.55376	1.7
72.01717	0.8
72.99321	2.4
73.02954	42.0
83.01396	12.5
85.02963	6.2
87.00890	1.5
88.98799	1.7
89.01930	1.8
89.02452	17.6
93.03474	2.0
95.01388	1.9
96.96013	5.5
99.00886	1.3
99.04510	9.0
101.02456	40.9
113.02466	15.5
113.03252	1.0
119.03525	6.6
125.02464	2.9
131.03503	3.1
134.03745	1.4
135.04532	2.2
136.01666	1.8
137.02448	2.4
143.03511	3.7
149.02466	1.0
149.04550	6.3
151.04047	2.5
155.03473	1.7
161.04564	10.5
163.14943	1.0
165.01904	3.0
173.04549	2.7
175.00426	1.1
179.05641	2.0
180.04210	0.9
181.05045	2.0
189.12897	11.7
190.02737	2.7
191.05644	6.6
195.06715	1.7
203.05742	1.6
204.76393	0.9
205.05101	1.7
207.13933	13.9
207.38286	0.8
209.04655	0.9
209.08025	1.0
221.04771	1.1
221.06639	4.2
251.12903	47.9
251.68315	0.9
252.13306	3.3
257.09540	0.9
299.85629	1.1
313.07062	1.4
367.10214	1.6
431.19226	100.0
431.85876	0.9
432.19617	9.7
467.15347	1.1
725.24194	3.9
726.24921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26902	0.2
69.03448	1.0
71.01387	16.1
72.99318	1.5
73.02956	2.6
74.84158	0.2
75.00874	0.3
80.02679	1.1
81.03457	2.2
83.01401	2.0
83.05032	5.4
84.02167	1.1
85.02954	3.3
87.00885	4.3
89.02451	13.0
90.16428	0.2
93.03474	0.6
95.01398	1.2
95.05038	0.8
97.02959	2.9
99.00895	0.9
99.04516	0.3
101.02446	12.0
102.02777	0.3
109.06617	0.2
111.00894	0.3
111.04497	0.6
113.02457	6.9
113.06120	0.3
115.03978	0.3
119.03503	3.4
123.04483	0.2
124.01733	0.2
125.02454	5.2
125.06108	0.6
131.03523	0.6
133.05034	0.4
135.08127	0.6
139.04039	0.6
141.01918	0.4
141.09268	0.2
143.03510	2.5
145.05086	0.3
149.04529	0.2
161.04553	3.3
163.11295	4.4
165.12872	2.7
167.03539	0.4
179.05641	3.7
181.05060	0.2
181.12332	0.6
182.12833	0.2
191.10812	1.0
199.06226	0.3
209.11832	100.0
210.12181	4.3
217.07222	0.8
221.06651	1.6
227.12892	11.9
228.13141	0.4
235.08240	5.6
245.06450	0.3
251.12909	0.4
253.09303	0.7
259.08203	0.3
259.20651	0.4
263.07742	0.5
277.21729	50.9
278.22064	3.6
287.07703	1.8
291.23267	0.4
305.08859	2.0
319.22501	0.2
323.09811	0.7
379.12454	6.3
380.12488	0.5
397.13507	37.5
398.13947	2.3
415.08969	0.5
415.14624	9.7
416.14828	0.6
433.84729	0.2
515.05011	0.2
589.24957	0.4
607.26233	0.9
641.70087	0.2
675.36053	0.7
740.62970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.2
69.03464	0.7
71.01389	13.5
71.05006	0.2
72.99316	1.2
73.02953	2.0
75.00887	0.3
78.95907	0.2
80.02682	1.3
81.03460	1.8
83.01395	1.7
83.05031	5.7
84.02171	0.7
85.02956	3.4
86.00117	0.1
87.00435	0.1
87.00882	3.3
89.02454	10.1
90.99882	0.1
91.04026	0.2
93.03465	0.3
94.84951	0.1
95.01392	1.2
95.05036	0.8
96.96001	0.2
97.02956	2.3
97.06590	0.3
98.39081	0.1
99.00864	0.7
99.04549	0.2
101.02448	10.0
101.63699	0.1
102.02802	0.2
103.04002	0.2
107.04984	0.1
109.02962	0.3
109.06577	0.5
111.04527	0.5
111.08095	0.2
112.98001	0.2
113.02460	6.0
113.06091	0.2
115.04014	0.3
119.03510	2.9
121.02949	0.3
123.00911	0.2
124.01670	0.2
125.02458	5.0
125.06102	0.7
126.02837	0.2
127.04002	0.2
131.03479	0.7
131.47202	0.2
133.05072	0.3
135.04501	0.2
135.08192	0.7
137.02403	0.2
139.04036	0.2
141.01981	0.2
143.03517	2.2
145.05078	0.2
149.04556	0.4
161.04553	2.8
163.11301	4.4
164.11618	0.2
165.12857	2.5
167.03494	0.3
179.03432	0.2
179.03777	0.2
179.05627	3.6
181.12305	0.6
185.04594	0.3
191.10796	1.3
199.06091	0.6
203.05667	0.2
207.10231	0.2
209.11833	100.0
210.12170	4.9
217.07077	0.7
219.05107	0.2
221.06676	1.2
223.13477	0.2
225.11353	0.2
227.12894	10.8
228.13190	0.4
233.11789	0.2
233.22812	0.2
235.08234	4.2
245.06648	0.2
251.12918	0.8
253.09262	0.7
259.08231	0.3
259.20761	0.1
263.07724	0.5
277.21729	41.0
278.22089	2.7
287.07687	1.5
291.23346	0.2
300.01907	0.2
305.08780	1.6
323.09839	1.0
379.12460	5.4
380.12695	0.3
395.88193	0.2
397.13510	28.5
398.13834	1.9
415.14590	7.6
416.14951	0.6
427.20102	0.1
589.24738	0.6
607.26123	1.2
675.35968	0.4
885.47211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55141	1.3
71.01386	8.4
71.01782	0.4
71.05013	0.2
72.99315	0.9
73.02948	0.5
76.98790	0.2
83.01388	0.9
85.02955	1.8
86.37852	0.2
87.00866	0.6
89.02451	7.3
89.94557	0.2
93.03443	0.4
95.01405	0.8
95.54863	0.2
96.96015	0.4
99.00860	0.2
101.01801	0.4
101.02447	5.8
101.75919	0.2
109.03049	0.2
113.02457	3.4
119.03510	3.2
121.93418	0.2
125.02467	0.4
127.11292	1.8
131.03517	0.4
139.11269	0.3
143.03500	0.3
149.04536	0.2
155.10782	0.8
157.12344	9.5
158.12640	0.3
171.13901	0.7
173.04520	0.4
179.05629	0.3
185.11801	1.4
187.13399	0.8
191.05615	1.1
199.13394	1.3
201.15088	0.2
203.12886	30.6
204.13217	1.1
245.13962	1.0
264.04440	0.3
302.53311	0.2
307.05997	0.2
365.18158	100.0
366.18500	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	883.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	2.5
69.03459	1.9
69.40354	3.9
71.01389	28.3
72.92258	0.4
72.99312	2.0
73.02953	4.6
73.62629	0.5
75.00877	1.0
80.02706	1.1
81.03465	4.7
83.01398	3.6
83.05038	3.1
85.02959	8.0
87.00883	5.6
89.02457	21.1
91.04002	0.9
93.03489	0.9
95.01403	2.3
95.05053	1.1
97.02959	13.9
99.00892	3.3
101.02455	20.3
103.74688	0.5
106.65334	0.5
107.05064	1.0
109.06602	30.6
110.03730	1.2
110.06947	0.9
111.00910	1.0
111.04511	1.1
113.02460	10.5
119.03509	5.1
121.06606	2.2
123.04544	1.3
124.01668	0.5
125.02457	7.9
125.09747	0.5
129.02007	0.7
135.08177	4.5
136.05324	2.7
139.04065	0.8
141.01930	1.8
142.02742	2.5
143.03481	3.2
145.10246	1.3
158.31956	0.5
158.36606	0.5
161.04582	5.0
161.09740	1.8
163.11304	19.0
164.11630	1.0
167.03564	0.5
179.05618	4.5
179.10794	1.4
181.12291	3.2
189.09261	2.7
201.11313	1.8
207.10274	100.0
208.10596	4.3
209.11864	4.7
210.12175	1.5
217.07190	1.0
221.06683	2.4
225.11333	39.1
226.11696	1.5
227.12860	0.6
235.08247	6.9
243.12392	1.7
251.12743	0.6
253.09384	1.3
255.23283	1.0
256.23611	1.1
259.08200	0.6
263.07800	1.1
273.12469	0.5
275.20184	0.6
277.21741	73.7
278.22119	5.0
281.14041	0.8
287.07761	2.0
299.14905	1.6
305.08755	2.0
323.09790	1.1
379.12555	5.4
397.13538	55.7
398.13782	3.9
399.14200	0.8
415.14615	13.0
416.14807	0.9
560.33710	0.6
587.23639	1.0
605.24591	7.3
623.25635	3.8
624.26410	0.6
675.35956	1.7
703.40283	0.8
865.45947	1.7
883.47015	53.0
884.47296	9.8
902.71423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.5
68.99789	0.3
69.03136	0.4
69.03463	2.1
70.66454	0.4
70.66785	0.8
71.01388	22.7
72.01742	0.4
72.99317	2.3
73.02956	3.5
75.00887	0.8
80.02675	0.8
81.03469	4.3
83.01393	3.1
83.05032	3.2
85.02953	5.9
87.00877	5.2
89.02454	19.0
91.04046	0.4
93.03476	0.8
94.02161	0.4
94.03846	0.4
95.01411	1.7
95.05041	1.1
97.02959	10.6
97.06565	0.4
99.00877	3.3
99.04539	0.3
101.02449	16.7
106.04282	0.5
107.05047	1.7
109.02958	0.6
109.06600	33.9
110.03738	1.7
110.06956	1.1
111.00905	0.6
111.04542	0.8
113.02464	9.5
116.96762	0.3
119.03507	4.5
121.02926	0.5
121.06594	2.4
123.00913	0.4
123.04551	1.0
123.08181	0.5
125.02464	6.7
125.09743	0.8
129.76544	0.4
131.03528	1.0
133.05058	0.4
133.06587	0.6
135.08176	4.0
136.05313	1.7
139.04041	0.6
141.01942	1.8
142.02751	2.6
143.03510	2.9
145.10306	0.6
149.04581	0.4
151.07689	0.4
152.08122	0.3
161.04556	4.8
161.09727	1.9
163.11305	18.6
164.11639	1.1
167.03448	0.5
179.05617	5.4
179.10739	1.1
181.12334	5.4
189.09227	3.0
191.05635	0.4
191.10791	0.5
199.06140	0.5
201.11392	2.1
202.11638	0.5
207.10271	100.0
208.10608	5.4
209.11847	4.2
210.12132	1.2
217.07187	1.1
221.06676	2.7
225.11330	44.4
226.11711	2.6
235.08260	5.4
243.12430	2.3
253.09200	0.9
255.23280	1.5
256.23547	0.8
259.08151	0.4
263.07697	0.9
277.21729	52.4
278.22043	4.0
281.13950	0.9
287.07602	1.9
299.14957	1.3
305.08862	1.9
321.08444	0.4
323.09857	0.8
379.12427	6.8
380.12796	0.5
397.13522	38.8
398.13977	3.3
399.13583	0.4
415.14587	12.0
416.14886	1.1
441.33746	0.7
443.19370	0.9
461.20047	0.5
485.32941	0.4
587.23444	1.1
605.24615	7.9
606.25140	1.2
623.25598	9.4
624.25745	1.1
657.34296	0.5
696.54865	0.3
721.40723	0.3
865.46185	1.4
883.46985	52.8
884.47339	11.9
884.64716	0.5
890.59509	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	881.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	3.0
70.71483	2.3
70.71815	2.0
71.01392	23.6
73.02965	4.1
80.02676	1.6
81.03476	2.4
83.01394	3.1
83.05043	5.4
85.02970	6.2
87.00874	7.2
89.02452	18.0
96.96049	2.6
97.02979	4.8
99.00854	2.5
101.02452	19.3
103.64881	1.5
113.02425	7.9
119.03516	5.6
125.02455	6.5
125.09752	2.7
127.11266	3.5
135.08250	1.4
143.03520	4.5
161.04564	4.7
163.11389	2.3
165.09328	1.4
165.12907	2.7
171.10297	4.3
177.91922	1.7
179.05605	4.7
191.05597	1.9
199.09827	1.7
201.11346	77.2
202.11716	3.2
209.11861	100.0
210.12228	5.6
227.12943	13.6
235.08182	5.3
253.09171	2.6
255.23322	78.8
256.23627	6.4
269.24976	2.0
287.07623	2.2
293.21286	2.6
305.08881	2.8
315.93079	1.6
379.12473	13.7
397.13541	64.2
398.13876	4.1
405.51416	1.5
415.14581	12.5
461.85684	1.4
490.82098	1.6
550.33020	1.4
562.06049	1.5
581.24609	2.2
589.25214	2.5
599.25519	3.0
635.35974	2.4
653.37207	7.4
671.67084	1.7
881.45630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17019	0.9
61.98828	5.3
64.83385	0.8
67.01902	1.3
68.59544	0.7
68.78745	0.8
71.01390	35.6
71.05032	6.0
71.55213	1.0
72.99315	5.1
73.02965	6.9
83.01387	5.1
85.02959	19.9
87.00882	2.9
89.02455	17.9
95.01393	1.9
96.96004	0.8
97.02951	1.8
99.00878	1.5
101.02449	20.6
103.04005	3.3
104.00997	0.8
112.01691	1.5
113.02462	11.6
119.03533	5.7
131.03526	5.8
143.03491	1.4
150.03210	1.1
161.04546	2.3
179.05634	2.6
191.05624	2.8
209.11786	2.3
339.23151	1.8
341.24869	8.1
357.28012	2.8
369.28088	1.0
381.27780	1.2
401.60007	1.0
413.22061	1.2
423.33258	1.6
425.30649	6.3
439.32391	1.1
441.33762	62.1
442.34247	7.0
445.04532	0.9
495.34811	1.2
537.35980	1.7
555.37036	4.5
556.36749	1.5
573.38000	30.4
574.38507	3.6
613.25403	1.0
660.42908	0.9
719.43799	96.9
720.33466	0.7
720.44135	18.8
735.43451	7.5
736.43079	1.0
779.42261	1.1
881.49097	100.0
882.49298	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.8
63.96218	2.4
70.61696	3.0
71.01391	11.2
73.02944	2.2
78.95923	1.6
78.98593	6.8
79.95747	29.8
80.96526	100.0
81.03404	1.5
85.02943	4.4
86.91782	1.0
87.00888	3.0
94.98093	22.3
96.96011	1.9
97.02969	1.9
98.20612	1.4
101.02453	3.0
106.98113	3.6
120.29960	1.1
122.97615	6.7
125.02452	4.7
134.97592	8.3
136.99220	2.0
148.99150	11.8
152.98643	7.8
164.98630	14.8
192.40343	1.1
206.99664	2.8
225.00761	29.2
255.23346	5.9
341.05829	1.7
537.27405	2.1
709.37848	2.2
735.40063	1.7
753.39880	1.3
764.57928	1.3
833.43689	2.0
861.47577	1.7
879.51385	99.3
880.51642	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96232	1.6
69.03460	1.1
70.86215	1.3
71.01388	9.5
73.02953	1.8
78.95901	2.1
78.98598	7.9
79.95741	24.8
80.96525	91.2
81.03465	0.7
85.02962	3.4
87.00886	3.7
94.98093	22.5
96.96020	1.4
96.96978	0.6
97.02966	1.2
100.50772	0.6
101.02446	2.7
106.98080	3.7
118.13979	0.6
122.97625	5.0
125.02421	3.3
127.04034	1.1
134.97604	7.2
136.99155	2.1
148.99158	7.7
152.98631	7.6
164.98627	14.9
167.00191	1.4
179.00150	0.9
181.39081	0.6
206.99663	3.3
225.00758	23.7
226.00909	1.0
241.01076	0.9
242.73288	0.8
255.23256	3.1
283.04861	0.7
328.17407	0.7
341.05386	0.8
425.14685	0.8
537.27417	2.3
623.28040	1.7
709.38751	1.1
777.41351	1.1
779.42926	0.6
833.44763	1.3
861.47040	1.0
879.51324	100.0
880.51550	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	879.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.6
63.96261	1.4
69.03459	1.5
70.87052	1.5
71.01391	7.0
73.02945	1.7
78.98601	6.4
79.95372	0.3
79.95743	22.2
80.96525	85.9
81.03467	0.7
85.02946	2.7
87.00874	2.9
94.98096	21.2
96.96010	2.1
97.02944	1.5
99.00867	1.2
99.04546	0.8
101.02469	3.0
106.98116	2.9
116.43407	0.5
121.64764	0.5
122.97618	4.3
125.02450	3.8
127.04042	0.7
129.01924	0.6
134.97591	6.9
136.99139	1.3
148.99153	6.8
152.98654	6.4
164.98643	14.0
168.53178	0.6
206.99670	3.5
213.58429	0.7
225.00751	21.7
226.01215	0.6
244.72298	0.6
255.23328	2.2
283.04999	1.0
300.79291	0.5
346.61499	0.6
537.26990	1.4
623.27576	1.6
709.38696	2.9
879.51416	100.0
880.51770	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	879.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.3
67.02157	1.5
69.45603	10.5
71.01389	100.0
73.02946	3.6
78.95903	4.5
85.02964	3.5
87.00872	2.9
89.02464	8.2
96.96043	1.8
97.02985	3.7
98.20718	2.6
101.02476	8.8
109.06602	3.6
110.03670	1.4
113.02451	6.7
119.03561	2.6
125.02428	5.1
125.09731	1.3
127.11259	1.4
161.04543	2.6
163.11243	4.8
171.10278	16.5
179.05658	1.9
181.12344	2.7
185.11723	1.7
199.09686	2.2
201.11336	13.9
207.10274	15.6
215.12881	1.6
225.11327	19.0
235.08229	5.6
243.12350	2.3
255.23308	37.8
277.21802	2.4
287.07645	1.6
287.16565	1.9
305.08929	1.5
342.69144	1.8
379.12524	3.3
397.13626	20.6
415.14511	4.1
522.25427	1.4
623.25861	1.7
721.51685	1.7
861.48712	6.5
879.49243	7.3
880.49628	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	879.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.8
71.01391	0.2
78.95911	3.5
79.95747	3.8
85.02962	0.2
88.98779	0.1
89.02499	0.1
96.23233	0.1
96.96023	100.0
96.96904	4.2
97.95970	0.3
98.19950	0.2
98.95589	0.4
101.02460	0.2
177.37813	0.1
326.40845	0.1
494.38052	0.1
699.31750	0.1
717.43311	0.1
781.43842	0.1
879.43280	0.3
879.60840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.5
68.99581	0.1
70.85989	0.2
70.86354	0.1
71.01400	0.2
75.00878	0.1
78.95911	3.4
79.95746	3.4
82.95418	1.0
85.02962	0.1
89.02433	0.1
94.98083	0.2
95.97679	0.1
96.96022	100.0
96.96901	3.7
97.95962	0.2
101.02444	0.1
101.60441	0.1
109.86240	0.1
112.98561	0.1
113.02493	0.1
173.04605	0.1
177.44763	0.1
179.20439	0.1
191.05617	0.2
592.55621	0.1
631.38666	0.2
673.39185	0.1
781.44232	0.1
795.45789	0.1
796.46307	0.1
862.42889	0.1
879.41791	0.1
880.41180	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	875.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	12.0
71.01380	11.8
72.35262	7.7
75.82504	8.6
80.31950	9.0
96.96028	19.1
101.02431	11.4
171.10297	15.0
173.04561	9.5
191.05646	26.5
197.67036	8.4
201.21172	7.6
209.11908	9.4
235.08307	14.3
253.09264	61.2
293.21216	100.0
327.21838	79.1
405.69345	8.7
431.31592	9.5
443.31335	10.5
529.30212	21.5
563.30658	15.6
606.45154	10.5
839.51306	13.1
875.48853	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	877.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53926	0.5
67.01911	0.6
69.03466	4.4
70.52568	1.2
71.01015	0.9
71.01389	13.0
71.05036	1.1
71.76498	0.5
72.99313	0.8
73.02948	2.1
78.60564	0.6
81.03487	0.6
83.01391	1.7
85.02958	3.2
87.00855	2.5
87.25939	0.5
89.02451	8.3
92.75454	0.5
95.01387	1.0
96.18145	0.5
96.96017	1.1
97.02986	2.4
97.06593	1.0
99.00895	0.9
101.02462	8.3
111.04527	0.6
113.02464	3.3
116.92875	0.6
119.03550	2.3
123.08175	1.2
125.02462	2.5
125.09712	1.6
143.03511	1.2
151.11311	2.6
153.12840	1.0
157.89133	0.5
161.04515	0.7
161.09705	3.9
172.12144	0.5
179.05644	0.7
179.10800	6.5
194.62251	0.5
197.11847	33.3
198.12128	1.5
209.11807	2.3
212.94189	0.5
221.06696	1.5
235.08206	0.7
241.10767	1.7
253.09378	0.6
255.23315	45.5
256.23672	2.8
269.24908	0.8
397.13376	2.2
462.62204	0.6
500.05630	0.6
877.48053	100.0
878.48303	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	875.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.0
71.39122	0.4
72.99323	0.6
73.02918	0.4
75.00874	0.8
78.95917	0.5
79.95737	3.1
83.01401	0.6
85.02943	4.0
87.00873	0.7
89.02455	4.4
95.01384	1.7
96.96018	100.0
99.00881	0.4
101.02458	2.4
102.05130	0.4
112.01743	0.9
113.02463	4.7
116.92858	1.7
119.03509	1.6
125.02449	0.6
132.93045	0.4
140.25058	0.4
156.27077	0.4
191.05528	0.4
453.33755	0.5
455.35397	1.8
497.36420	0.8
509.36533	1.6
569.38470	3.6
570.38477	0.7
613.37390	4.2
614.37317	0.6
635.35614	0.9
651.39001	0.5
653.36658	0.8
722.94446	0.5
777.44775	1.1
793.43805	11.0
794.44519	2.1
815.41907	11.8
815.56934	0.7
816.42273	2.6
859.41034	4.5
860.42023	1.0
875.43964	4.6
876.43195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18673	0.4
71.01377	1.2
72.99286	0.1
75.00864	0.2
78.95892	0.2
79.95742	3.7
80.91688	0.1
85.02958	0.7
87.00880	0.1
89.02469	0.9
95.01382	0.1
95.64882	0.1
95.97623	0.1
96.96018	100.0
97.02975	0.2
97.95966	0.4
98.20550	0.2
99.00864	0.2
100.85135	0.1
101.00955	0.1
101.02458	0.5
103.01632	0.1
112.01684	0.1
113.02467	0.9
116.92854	0.5
119.03514	0.4
125.02364	0.1
138.82985	0.1
143.47295	0.1
196.66756	0.1
269.78619	0.1
349.06052	0.1
350.98206	0.1
430.62439	0.1
455.35522	0.2
509.36920	0.2
569.38739	0.7
570.39081	0.1
613.37555	0.6
635.35638	0.2
749.44623	0.1
777.44238	1.0
778.45123	0.3
793.43921	1.7
794.44312	0.4
815.41962	1.9
816.42517	0.4
859.40955	0.7
875.43671	1.0
876.44043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.6
69.03468	2.6
70.55533	1.8
71.01389	81.5
72.99315	2.9
73.02955	100.0
74.03281	0.8
75.00867	1.6
79.05259	0.8
81.03461	0.8
83.01398	27.1
85.02961	15.3
87.00889	2.6
89.02456	17.4
90.30637	0.9
95.01403	4.3
96.96016	1.4
97.02948	2.5
99.00893	2.9
101.02455	96.3
102.02785	2.0
113.02463	33.6
114.22404	0.8
119.03520	10.2
125.02446	3.6
131.03525	11.3
135.04536	1.2
143.03506	9.5
145.95392	0.8
147.02986	0.8
149.04561	19.8
155.03540	3.5
161.04572	39.8
162.04846	0.9
173.04488	0.9
173.09711	2.0
189.12866	24.8
190.13208	1.2
191.05611	4.5
203.05623	3.7
221.06659	9.5
277.80112	0.9
331.17731	12.8
373.18692	11.3
513.48297	0.8
722.65936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	29.5
62.87595	14.7
80.96519	15.6
87.57323	12.4
112.05383	13.7
132.39540	15.9
158.06270	16.9
253.09210	17.0
277.21829	100.0
341.23413	70.6
351.84091	14.2
515.46460	16.6
631.01385	15.6
827.21881	17.5
873.50250	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.589
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99324	13.5
61.98834	6.2
69.32904	17.1
76.45642	2.3
84.14748	2.1
92.09296	2.1
95.71041	2.1
96.96017	2.0
102.71706	1.9
125.97230	2.1
185.91968	2.1
187.52292	2.1
191.14455	11.8
209.11626	3.5
231.13770	2.6
237.52429	2.2
271.17059	5.3
277.21909	2.8
376.32791	2.3
389.28519	49.3
390.28897	5.3
395.89713	2.3
405.27979	15.9
423.29083	100.0
424.29361	9.1
441.30023	3.1
449.26910	6.5
467.27911	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	871.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	10.3
69.04416	0.8
71.01389	23.5
71.55902	1.1
72.99309	2.4
73.02957	8.3
78.95924	1.1
79.95738	1.0
83.01396	5.1
85.02967	11.6
87.00885	2.8
88.98809	3.8
89.02446	10.7
93.03477	1.5
95.01407	2.4
96.96008	7.3
97.02940	1.5
99.00900	3.0
101.02453	19.9
111.00891	1.4
111.04503	0.9
113.02464	8.4
113.83507	0.9
116.92831	1.1
119.03519	4.2
125.02419	1.7
129.01993	1.1
130.57573	0.8
135.04544	1.2
143.03549	1.9
151.04115	0.9
161.04550	3.1
173.04456	1.3
179.03326	1.0
179.05540	2.0
191.05644	5.7
197.01355	0.9
201.57225	0.8
209.11832	3.9
221.06865	1.3
267.91888	1.2
444.73474	1.1
487.34348	16.8
488.34811	2.5
631.38763	1.1
649.39587	5.6
767.46094	7.0
768.46771	1.0
789.44843	1.1
789.95227	3.3
790.45764	1.2
793.43793	6.1
811.44885	100.0
812.45197	24.0
835.45007	1.1
871.40747	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	871.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99324	4.0
61.98840	13.9
63.44755	0.8
67.01897	10.9
69.03465	3.2
69.28469	1.4
69.28870	6.2
71.01401	10.8
72.95494	0.8
72.99297	1.5
73.02950	2.7
81.03466	2.2
83.01373	1.5
83.05037	2.0
85.02968	6.8
87.00877	15.8
88.98838	1.8
89.02452	3.4
89.03971	2.1
93.03468	73.2
94.03798	1.5
96.96034	5.9
98.20673	1.7
99.00888	2.2
99.04503	1.0
101.02435	5.5
105.03484	1.0
109.02968	1.3
111.00895	0.9
111.04533	10.1
113.02472	2.6
117.03491	6.0
125.02468	1.1
129.01933	2.5
133.02980	4.8
134.03758	15.8
135.04552	11.5
137.02444	3.6
139.04066	1.2
143.03552	1.3
149.02341	1.0
150.03120	1.3
151.04051	1.1
155.03506	2.6
161.02441	3.0
161.04518	1.3
162.03247	8.0
170.83313	0.8
173.04561	40.5
174.04965	1.0
177.01878	2.0
178.02731	4.1
179.03505	2.2
191.05626	16.7
195.06529	1.2
223.06282	1.0
231.10300	2.9
254.49026	0.9
257.08173	1.2
275.09271	33.7
276.09641	2.7
351.07224	2.1
352.08026	2.5
387.92593	0.9
411.36697	0.8
422.23630	0.8
449.14563	100.0
450.14856	10.5
456.56287	0.9
631.38617	3.3
649.39600	49.5
650.39777	8.7
691.41046	2.2
749.43152	1.1
797.09039	1.2
811.44299	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	869.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43287	0.6
60.99292	0.9
61.98841	5.9
62.01048	0.7
68.99850	0.8
69.03465	1.6
71.01387	40.8
72.01719	0.8
72.99299	2.6
73.02953	15.1
74.15823	0.6
75.00853	0.8
77.19892	0.5
80.84837	0.6
81.03471	0.8
83.01398	7.6
85.02956	28.4
86.00123	0.7
87.00882	5.3
87.04518	1.2
88.98804	4.4
89.02453	9.1
93.03452	2.2
95.01394	3.8
96.96026	2.9
97.02926	1.3
99.00900	5.0
101.02451	32.4
102.33419	0.6
103.04003	2.6
103.05145	0.6
113.02454	18.8
115.04030	1.7
119.03514	1.0
125.02462	1.5
129.01913	1.1
130.98381	0.6
131.03487	2.3
135.04535	1.3
137.02460	0.6
141.05479	0.7
143.03552	3.7
159.02982	3.1
161.04564	7.4
162.04652	0.7
165.01976	0.7
173.04538	1.0
191.05641	3.2
191.71844	0.8
193.05107	0.7
205.07050	0.8
439.32413	0.7
452.87827	0.7
585.34479	0.8
601.37463	3.5
608.70166	0.7
647.26416	1.7
663.37616	4.2
664.37860	0.8
747.43353	22.3
748.43738	3.1
765.44373	1.2
809.43317	100.0
810.43597	22.5
869.43164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99324	4.0
61.98840	13.9
63.44755	0.8
67.01897	10.9
69.03465	3.2
69.28469	1.4
69.28870	6.2
71.01401	10.8
72.95494	0.8
72.99297	1.5
73.02950	2.7
81.03466	2.2
83.01373	1.5
83.05037	2.0
85.02968	6.8
87.00877	15.8
88.98838	1.8
89.02452	3.4
89.03971	2.1
93.03468	73.2
94.03798	1.5
96.96034	5.9
98.20673	1.7
99.00888	2.2
99.04503	1.0
101.02435	5.5
105.03484	1.0
109.02968	1.3
111.00895	0.9
111.04533	10.1
113.02472	2.6
117.03491	6.0
125.02468	1.1
129.01933	2.5
133.02980	4.8
134.03758	15.8
135.04552	11.5
137.02444	3.6
139.04066	1.2
143.03552	1.3
149.02341	1.0
150.03120	1.3
151.04051	1.1
155.03506	2.6
161.02441	3.0
161.04518	1.3
162.03247	8.0
170.83313	0.8
173.04561	40.5
174.04965	1.0
177.01878	2.0
178.02731	4.1
179.03505	2.2
191.05626	16.7
195.06529	1.2
223.06282	1.0
231.10300	2.9
254.49026	0.9
257.08173	1.2
275.09271	33.7
276.09641	2.7
351.07224	2.1
352.08026	2.5
387.92593	0.9
411.36697	0.8
422.23630	0.8
449.14563	100.0
450.14856	10.5
456.56287	0.9
631.38617	3.3
649.39600	49.5
650.39777	8.7
691.41046	2.2
749.43152	1.1
797.09039	1.2
811.44299	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	869.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.3
64.43528	2.1
69.35159	17.5
71.01390	39.2
72.99310	3.1
73.02972	10.7
83.01387	6.5
85.02946	18.2
89.02449	10.5
95.01381	3.2
99.00923	2.6
101.02451	30.9
111.77979	2.1
113.02490	14.7
119.03489	4.2
131.03488	3.1
150.03252	3.7
150.88535	2.5
161.04541	6.0
165.05566	3.1
173.04556	3.3
179.03583	2.5
191.05647	6.9
195.06624	4.0
209.11719	2.8
212.98413	2.2
215.84978	2.2
222.86002	2.5
223.14574	2.3
585.37811	3.2
610.27289	2.3
647.37921	2.2
649.61938	2.1
791.42639	3.7
809.43335	100.0
810.43652	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99334	1.6
61.98837	5.6
69.03438	1.1
69.26843	8.3
71.01389	60.6
72.99303	4.0
73.02958	18.7
78.95866	1.1
80.03001	1.1
80.03572	1.1
83.01404	10.3
85.02960	34.9
86.00094	1.3
87.00901	7.5
89.02454	11.7
93.03465	3.0
95.01384	4.3
96.96024	8.2
97.02946	1.7
99.00874	7.5
101.01800	2.5
101.02455	42.4
103.04020	3.2
111.00897	1.3
111.04538	1.5
113.02458	23.5
115.03983	1.5
119.03454	1.7
125.02502	2.1
131.03473	2.2
135.04536	1.7
143.03496	3.3
149.02451	1.4
150.03284	1.5
159.02986	3.7
161.04591	8.6
162.14825	1.2
173.04546	2.4
179.03494	1.8
179.05690	1.3
191.05658	7.4
195.06705	1.4
267.34134	1.2
385.20193	1.2
385.26614	1.2
407.29868	1.2
421.31039	4.3
424.67706	1.4
454.71954	1.1
459.78925	1.3
532.35938	1.3
583.36322	2.5
601.37323	2.3
663.35840	1.4
711.40997	3.6
729.42291	32.5
730.42700	8.6
747.43457	18.2
748.43005	5.9
765.44952	1.9
781.44098	7.7
782.44635	2.2
788.43640	4.7
788.93750	3.2
789.42834	2.9
795.41193	3.3
797.44281	1.5
809.43365	100.0
810.43726	24.6
827.44965	1.6
869.44153	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	869.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.8
69.03422	3.1
71.01010	5.0
71.01387	77.9
72.99333	3.4
73.02947	28.8
75.93985	2.8
79.61355	2.6
83.01395	13.7
85.02957	38.8
89.02449	25.0
93.03484	3.6
96.96016	5.5
99.00883	12.5
101.02457	58.1
106.91695	2.5
113.02465	23.0
119.03497	6.1
128.08684	3.1
131.30119	3.1
135.04539	3.6
137.99316	2.7
149.04520	6.2
159.02989	6.2
161.04593	17.2
165.01924	2.8
173.04626	4.9
177.59286	3.0
179.05615	3.1
191.05627	10.0
195.06509	3.9
215.91650	3.3
275.14972	7.0
294.03214	2.8
375.23880	48.5
376.23834	3.6
407.19238	55.3
407.57263	3.1
408.19464	4.1
417.24994	100.0
418.25162	11.6
419.22784	6.4
479.72522	3.3
544.27075	4.4
628.12683	3.3
783.39001	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	869.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46455	1.4
69.03461	2.4
69.49312	3.1
69.49725	8.2
71.01387	100.0
72.99310	2.8
73.02956	33.1
83.01391	14.2
85.02962	47.5
87.00923	3.5
89.02460	16.7
95.01405	9.8
97.02962	4.5
99.00307	2.1
99.00871	12.5
101.02453	67.2
105.37822	1.5
113.02465	40.5
119.03523	2.5
125.02449	3.4
129.01949	2.4
133.02974	3.8
135.04561	2.3
143.03506	2.2
159.03029	7.5
161.04591	27.8
180.13858	1.4
191.05701	1.9
211.17065	6.3
263.15002	19.7
273.95471	1.6
275.76523	1.6
351.07285	1.9
355.21344	3.0
373.22324	82.8
374.22592	5.7
409.20789	40.9
410.21268	2.6
415.23401	83.9
416.23886	8.7
575.16418	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	869.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	28.4
71.57001	2.2
71.57349	2.4
72.99306	1.9
73.02945	8.4
83.01395	4.9
85.02972	15.7
87.00893	3.5
89.02437	15.4
93.03469	5.1
95.01398	1.9
97.03014	2.1
99.00873	4.5
101.02443	27.5
103.91531	1.7
113.02452	13.9
116.68940	1.7
117.37184	1.7
119.03526	4.3
121.03024	2.0
123.04592	2.4
126.76562	1.6
133.02982	18.9
135.04536	10.9
143.03662	2.1
160.55444	1.9
161.02376	2.2
161.04549	7.8
173.04559	7.8
177.01930	8.1
191.05602	13.9
215.05435	2.1
224.37642	1.9
263.14902	4.9
325.01794	2.1
329.62936	2.0
330.01651	1.9
351.06952	8.8
369.19171	6.9
387.20322	21.8
395.19110	19.5
429.21298	100.0
430.21585	8.6
869.30536	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	869.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	5.8
61.98834	89.5
67.01891	2.2
67.81612	1.7
71.01387	7.0
73.02937	2.3
78.95915	1.9
80.05084	2.3
83.05048	2.2
85.02951	5.8
87.00886	3.1
88.98811	27.5
89.02436	4.0
93.03473	5.8
96.96036	11.4
98.10210	1.9
101.02452	5.5
106.06634	6.4
108.02190	1.7
108.04578	2.7
109.02955	2.0
113.02423	3.6
118.67230	1.6
119.03550	2.2
133.02948	3.0
134.03787	1.7
135.04538	5.7
136.01671	2.4
137.02457	10.1
148.04070	6.5
150.03265	3.9
151.00420	2.1
151.04019	4.5
154.26167	1.8
155.61188	1.7
160.01791	1.6
164.01132	2.7
165.01947	66.6
165.05547	2.6
173.04581	4.0
179.03514	33.2
180.04298	50.3
181.05084	23.7
181.55614	1.9
182.05797	10.5
183.39450	1.6
191.05582	14.3
194.05849	8.5
195.04829	3.4
195.06631	69.0
196.07375	30.9
197.08226	23.3
209.08394	1.6
210.05362	12.8
211.09750	31.3
225.07698	81.6
225.09837	2.8
226.08031	3.5
227.11880	4.6
231.11301	2.0
243.11407	2.0
252.08969	2.4
253.09860	9.3
267.11368	3.9
273.12473	5.2
295.10773	4.9
295.22058	1.7
308.63184	1.8
313.12021	3.3
341.10516	3.4
357.13443	4.3
387.14417	5.8
421.18512	5.4
435.16611	3.9
471.34467	2.3
569.20050	4.3
584.22577	2.6
599.24969	100.0
600.25446	12.3
631.24603	3.5
647.26990	38.8
648.27466	6.2
665.38202	3.3
837.28577	2.2
852.23755	1.8
868.58362	4.3
869.30359	2.8
869.58490	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	869.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	5.8
61.98834	89.5
67.01891	2.2
67.81612	1.7
71.01387	7.0
73.02937	2.3
78.95915	1.9
80.05084	2.3
83.05048	2.2
85.02951	5.8
87.00886	3.1
88.98811	27.5
89.02436	4.0
93.03473	5.8
96.96036	11.4
98.10210	1.9
101.02452	5.5
106.06634	6.4
108.02190	1.7
108.04578	2.7
109.02955	2.0
113.02423	3.6
118.67230	1.6
119.03550	2.2
133.02948	3.0
134.03787	1.7
135.04538	5.7
136.01671	2.4
137.02457	10.1
148.04070	6.5
150.03265	3.9
151.00420	2.1
151.04019	4.5
154.26167	1.8
155.61188	1.7
160.01791	1.6
164.01132	2.7
165.01947	66.6
165.05547	2.6
173.04581	4.0
179.03514	33.2
180.04298	50.3
181.05084	23.7
181.55614	1.9
182.05797	10.5
183.39450	1.6
191.05582	14.3
194.05849	8.5
195.04829	3.4
195.06631	69.0
196.07375	30.9
197.08226	23.3
209.08394	1.6
210.05362	12.8
211.09750	31.3
225.07698	81.6
225.09837	2.8
226.08031	3.5
227.11880	4.6
231.11301	2.0
243.11407	2.0
252.08969	2.4
253.09860	9.3
267.11368	3.9
273.12473	5.2
295.10773	4.9
295.22058	1.7
308.63184	1.8
313.12021	3.3
341.10516	3.4
357.13443	4.3
387.14417	5.8
421.18512	5.4
435.16611	3.9
471.34467	2.3
569.20050	4.3
584.22577	2.6
599.24969	100.0
600.25446	12.3
631.24603	3.5
647.26990	38.8
648.27466	6.2
665.38202	3.3
837.28577	2.2
852.23755	1.8
868.58362	4.3
869.30359	2.8
869.58490	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	869.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.3
71.01381	0.6
71.03369	0.2
73.02924	0.1
81.03463	0.2
83.05045	0.1
85.02957	6.2
87.00890	1.4
93.03465	2.6
93.30183	0.1
99.04531	0.2
101.02528	0.1
103.18725	0.1
107.05007	0.2
108.02209	0.1
109.02967	0.7
111.04523	0.8
119.05062	0.7
127.04020	1.8
129.01930	0.1
133.02966	0.8
134.03735	0.2
135.04546	1.9
137.02449	0.2
145.91841	0.1
155.03505	0.2
161.02460	1.6
163.04031	1.0
171.03021	0.6
173.04573	2.2
177.01917	0.1
179.03493	1.5
189.04050	0.2
191.05623	100.0
192.05969	3.2
215.05621	0.1
337.08987	0.1
351.06998	0.2
352.07870	0.2
353.08777	15.8
354.09149	1.2
506.78204	0.1
544.70428	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	868.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62848	0.2
61.98833	100.0
64.32878	0.2
68.98433	0.2
69.52254	1.4
96.63848	0.2
98.20688	0.4
118.03914	0.2
123.39383	0.2
132.79245	0.2
133.78590	0.2
178.21762	0.3
310.40750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.2
68.05753	0.3
68.99572	0.7
73.02953	3.7
75.00848	0.3
80.97610	0.3
87.00916	0.3
89.78392	0.3
94.92508	0.4
96.96032	3.2
99.00890	1.3
99.92592	12.0
112.98599	0.4
114.93405	0.5
116.92871	100.0
117.01948	6.8
117.92887	4.4
193.92911	0.3
246.25801	0.3
249.64294	0.3
252.46037	0.3
426.74719	0.4
443.55573	0.3
501.67233	0.3
552.09052	0.3
749.44916	0.6
867.40759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.6513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	2.3
69.32944	1.6
69.33351	0.6
78.95882	0.3
80.52367	0.3
108.89171	0.3
171.10243	0.3
172.54478	0.3
289.48706	0.3
391.29901	0.4
429.33786	3.5
430.34198	0.4
437.30634	100.0
438.30963	11.9
597.64862	0.3
622.35999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35448	0.8
61.86657	0.7
61.98835	4.5
63.96229	2.2
69.03469	1.1
70.96161	1.7
70.96504	0.9
71.01392	9.5
73.02952	1.5
76.69093	0.7
78.98601	8.5
79.94749	0.8
79.95287	1.2
79.95743	22.4
80.96524	95.2
82.96098	0.9
85.02951	3.4
87.00904	4.4
94.98098	17.9
95.01392	1.0
96.96005	2.5
97.02963	1.9
99.00890	1.1
101.02434	2.6
103.21921	0.8
106.98103	4.9
122.97567	4.2
125.02470	4.0
127.03994	1.3
134.97606	6.8
136.99171	2.0
148.99156	7.2
152.98660	8.3
153.36777	0.7
164.97330	1.2
164.98636	15.3
200.87340	0.8
206.99648	3.3
225.00768	25.7
226.00890	1.1
249.99745	0.8
255.23357	1.8
265.07388	0.8
277.21780	0.9
283.05121	1.1
327.83899	0.7
537.27496	2.1
549.10229	0.9
609.26361	1.4
802.48108	0.9
865.49854	100.0
866.50189	22.8
871.91632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32760	0.9
71.01380	2.7
81.03469	1.2
85.02960	3.5
87.00894	1.9
89.02451	2.3
93.03457	2.0
99.04517	2.2
100.33015	0.9
101.02477	1.1
107.18890	0.9
108.65157	1.0
112.92574	0.9
115.17114	0.9
133.04820	1.0
135.08200	1.3
149.06079	2.6
150.06886	31.3
151.07291	1.3
161.09729	1.1
162.06924	5.4
163.07666	17.0
164.08417	7.2
165.09146	0.9
173.04532	3.0
175.26332	1.2
176.08487	1.8
177.09245	2.8
178.09952	1.2
179.10794	18.6
191.05675	5.1
192.35088	1.0
207.57544	0.9
337.03482	1.5
341.23447	1.4
343.21188	2.2
359.24680	1.5
361.22498	1.9
462.29596	1.1
477.32440	1.3
478.33023	1.1
480.30856	1.4
494.32452	4.1
495.33069	6.2
522.32141	7.3
523.32703	16.4
524.33154	1.1
539.32159	2.8
540.32880	4.8
541.33728	10.4
542.34784	1.2
685.37738	4.2
703.39276	5.7
704.39716	1.9
847.44934	1.1
865.44507	100.0
866.44690	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	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40092	0.3
64.71319	0.3
69.03452	1.3
69.58264	2.0
71.01387	16.2
72.99306	1.2
73.02951	2.6
75.00889	0.3
75.60154	0.3
80.02697	1.2
81.03452	2.1
83.01395	2.0
83.05032	4.1
84.02163	0.5
85.02950	4.1
87.00879	5.0
87.04510	0.4
89.02451	14.7
95.01404	1.3
95.05013	0.7
97.02959	2.7
98.20647	0.7
99.00893	1.0
101.01799	0.7
101.02449	11.8
109.02956	0.3
111.00880	0.4
113.02451	8.2
119.03503	4.2
123.00862	0.3
125.02465	7.1
125.06102	0.5
127.04060	0.5
128.38954	0.3
131.03487	0.5
133.05075	0.5
135.08189	0.4
137.06003	0.3
139.04007	0.7
141.01903	0.3
143.03520	2.6
145.05052	0.3
149.04523	0.6
161.04576	3.9
163.11313	3.9
165.12849	2.4
167.03578	0.4
179.05618	3.4
181.12354	0.6
191.10794	1.1
199.06088	0.6
203.05721	0.4
209.11842	100.0
210.12198	4.5
217.07156	0.7
221.06715	1.0
227.12901	11.3
228.13277	0.6
235.08258	4.5
251.12885	0.5
253.09232	0.9
255.23309	56.3
256.23615	3.8
259.08240	0.4
263.07767	0.6
269.24744	0.5
287.07739	1.8
297.24228	0.5
305.08853	2.0
323.09863	0.9
379.12482	7.5
380.12744	0.6
397.13522	39.8
398.13843	3.5
415.14575	9.3
416.15167	0.5
459.30075	0.4
589.25488	0.8
607.25818	1.0
635.36310	0.4
653.37750	1.3
654.48212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96240	1.6
66.02357	1.5
71.01392	7.9
73.02969	1.6
78.95915	2.3
78.98604	6.3
79.95748	21.3
80.96525	79.6
82.96115	3.4
85.02937	3.7
87.00907	2.5
93.93396	1.4
94.98093	19.2
96.96019	1.7
96.97618	1.4
97.02971	1.5
98.20642	4.0
101.02481	2.6
106.98103	2.9
114.20078	1.3
122.97593	3.2
124.38093	1.3
125.02427	2.7
127.04065	1.6
134.97577	6.6
136.99196	2.6
140.97128	1.4
148.99142	6.9
152.98624	6.0
164.72089	1.3
164.98624	12.2
171.66652	1.3
179.60631	1.2
206.99704	3.1
225.00771	19.9
226.01176	1.9
255.23323	2.4
400.15704	1.5
537.27234	1.4
863.48181	100.0
864.48584	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	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09261	0.2
61.98833	0.4
69.03475	0.7
70.21112	0.2
71.01389	13.7
72.99315	1.3
73.02949	2.1
75.00874	0.4
78.95888	0.5
80.02692	1.3
81.03465	2.1
83.01400	1.3
83.05036	5.1
84.02177	0.7
85.02957	3.1
87.00889	3.3
89.02452	11.3
90.02795	0.3
93.03506	0.4
95.01373	1.1
95.05022	0.7
97.02959	2.1
99.00877	0.5
99.04536	0.3
101.02453	9.7
101.28972	0.2
106.56449	0.2
107.05013	0.2
109.06586	0.4
111.00870	0.4
111.04536	0.6
113.02458	7.2
114.02791	0.3
119.03513	3.0
121.02936	0.3
125.02460	5.3
125.06094	0.7
131.03545	0.7
133.05128	0.3
135.08188	0.8
139.04024	0.6
141.01889	0.5
143.03513	2.0
147.11832	0.2
147.99873	0.3
149.04585	0.4
161.04587	2.5
163.11307	4.1
165.12889	2.4
167.03458	0.4
169.43462	0.2
179.05614	3.5
181.12418	0.3
191.10777	0.9
199.06131	0.6
203.05708	0.2
209.11838	100.0
210.12175	5.6
217.07195	0.8
221.06662	1.1
227.12892	10.0
228.13339	0.3
235.08255	4.4
243.41396	0.2
251.12962	0.4
253.09256	0.6
255.23311	40.2
256.23660	3.3
259.08179	0.5
263.07742	0.4
269.24857	0.4
287.07794	1.7
305.08853	1.6
323.09952	0.7
379.12457	6.7
380.12683	0.3
397.13525	28.3
398.13858	2.0
415.14600	7.1
416.14963	0.5
589.25018	0.6
607.26239	1.4
635.36615	0.2
653.37762	0.8
863.49139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23238	2.7
69.23639	10.1
71.01405	5.4
75.38764	1.2
83.09558	1.2
85.02978	2.7
87.00870	2.0
89.02422	2.6
93.03449	2.9
96.96014	3.3
98.20644	2.8
99.04490	1.2
101.02434	1.8
108.65831	1.4
113.02439	1.7
113.38120	1.2
121.03026	1.1
123.08165	3.0
135.04489	1.9
135.08148	1.6
136.05298	7.7
137.05984	1.5
137.09720	2.2
139.04007	1.2
149.06065	3.8
150.06880	15.8
155.10762	2.0
162.06877	52.9
163.07678	8.9
164.08429	3.7
165.09184	4.2
171.10307	1.3
173.04556	3.6
173.06001	1.6
175.07605	4.9
176.08429	26.0
177.09216	26.0
179.10864	5.5
179.47847	1.1
181.17957	1.2
190.06602	1.3
191.05559	8.4
287.45551	1.1
343.21271	24.6
344.21555	2.1
403.11426	1.3
422.17770	1.2
463.30341	1.7
475.30511	1.6
492.30896	2.0
493.31061	1.4
502.29572	2.5
503.30203	12.6
509.31088	6.7
510.32120	1.7
521.31122	6.3
522.31342	1.3
598.27155	1.2
634.39191	1.2
641.39301	2.0
671.36139	2.2
683.36871	4.5
701.37463	15.3
702.38214	3.9
825.43005	3.2
827.42194	2.0
863.42853	100.0
864.27399	1.2
864.42926	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.7
68.99580	0.4
71.01387	0.2
71.53873	0.2
78.95910	3.3
79.95284	0.3
79.95744	3.4
85.02938	0.2
88.98813	0.3
90.40726	0.2
94.92490	0.2
96.96021	100.0
96.96898	3.4
97.95938	0.2
98.95616	0.5
112.98574	0.3
191.05652	0.3
196.53711	0.2
360.98199	0.1
473.26743	0.2
610.53326	0.2
803.41693	0.2
804.41809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41140	0.7
61.15889	0.8
61.63424	0.8
67.25447	0.7
67.63805	0.7
68.40258	0.9
69.18409	4.3
69.18833	3.8
71.01376	2.8
78.95895	1.6
79.95752	0.8
85.02961	3.3
86.18568	0.8
87.00864	1.9
89.02479	1.7
93.03471	2.0
96.96023	17.6
96.96973	1.4
99.04519	1.4
101.02426	1.9
103.00412	1.4
107.31960	0.8
109.02952	0.9
109.06580	0.9
111.04511	1.4
113.02440	1.2
113.73473	0.7
123.08173	1.4
133.02988	1.0
133.56456	0.8
135.04529	3.1
135.08112	1.1
136.05257	1.5
137.02454	1.7
137.06013	1.0
137.09705	1.0
149.06047	1.6
150.06874	32.1
151.07263	1.4
153.09192	1.1
162.06870	7.9
163.07680	13.0
164.04782	1.0
164.08400	6.9
165.09160	1.2
173.04536	2.4
173.08221	1.0
176.08363	1.6
177.05615	1.1
177.09180	4.4
178.09926	1.5
179.03490	2.1
179.10783	17.1
180.11205	1.1
187.09785	1.3
191.05614	9.2
192.05981	1.1
193.08635	0.8
273.13275	0.9
306.18295	1.4
315.17972	0.8
315.21729	0.8
321.20749	1.4
329.19650	3.0
335.02008	2.2
350.20950	1.1
351.21555	0.9
357.22852	2.0
359.20737	1.9
387.10791	3.1
412.24756	0.8
434.17166	0.9
445.29446	1.1
451.68478	0.9
492.31085	4.5
493.31729	7.9
494.32242	2.4
495.33243	1.3
508.30368	1.4
509.31143	5.9
510.18817	1.2
521.31165	1.8
537.30707	3.5
538.31348	4.8
539.32245	10.4
540.32367	0.9
653.22632	1.4
655.37659	1.0
657.39154	2.0
701.37646	8.4
702.36890	1.0
795.32764	0.9
819.43646	3.0
827.46747	1.2
863.42847	100.0
864.28650	1.3
864.43164	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.2
69.03453	3.2
70.01246	2.8
71.01393	29.8
72.99311	3.0
73.02951	4.3
75.00861	1.2
76.87209	0.9
78.95915	1.1
80.02694	1.2
81.03458	3.9
83.01390	3.3
83.05044	4.6
85.02968	6.5
87.00908	7.3
89.02455	25.0
92.04587	0.9
93.03474	0.9
95.01417	2.3
95.05000	1.3
97.02963	10.9
99.00902	4.0
101.02449	18.9
107.05026	1.4
109.06606	29.3
110.03754	1.6
110.06944	1.3
113.02468	10.0
119.03517	4.9
121.06598	3.1
125.02445	7.8
125.09723	1.2
131.03506	1.4
133.06596	1.1
135.08168	3.8
136.05312	2.7
141.01903	2.3
142.02705	3.1
143.03502	3.4
161.04636	4.9
161.05757	0.8
161.09727	1.8
163.10049	1.6
163.11307	16.9
179.05531	4.8
179.10773	1.2
181.12354	4.2
182.45357	0.9
189.09180	2.9
199.06067	0.9
207.10277	100.0
208.10623	4.6
209.11852	2.3
214.73967	1.0
221.06694	1.6
225.11343	38.5
226.11728	3.5
235.08235	8.0
243.12442	2.0
250.21092	1.0
253.09361	1.4
255.23317	86.1
256.23605	6.0
277.21799	3.2
279.22449	1.0
284.92123	0.9
287.07742	2.5
299.15009	1.4
303.30746	1.0
305.08817	1.6
309.20764	0.9
323.09476	1.1
327.21829	1.5
329.43237	0.9
379.12366	7.7
397.13550	57.9
398.13895	4.0
415.14529	10.4
457.26215	1.1
605.24445	4.3
606.24768	1.1
623.25598	4.3
624.26593	1.3
635.36682	1.1
653.37451	3.8
654.39117	1.2
845.75861	1.2
861.48511	56.9
862.48804	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.6
69.03463	2.3
70.93863	0.9
71.01393	21.8
71.04998	1.0
71.38280	2.0
72.99308	2.5
73.02950	4.1
75.00845	1.0
81.03458	3.4
83.01383	3.7
83.05029	2.7
85.02963	6.5
87.00867	5.0
89.02448	17.9
95.04988	1.4
96.96036	1.2
97.02960	12.0
99.00881	6.3
101.02458	14.7
106.07264	1.2
106.27834	0.9
109.06602	31.8
110.03739	1.0
110.06932	2.3
111.04519	1.0
113.02467	9.1
119.03507	4.8
121.06627	2.3
125.02481	7.7
125.09695	1.2
131.03511	1.0
135.08168	4.1
136.05247	1.9
141.01888	1.6
142.02725	3.3
143.03555	1.6
161.04564	5.2
161.09753	3.0
163.11313	23.0
179.05624	5.6
179.10735	1.8
181.12352	5.5
189.09189	2.5
207.10275	100.0
208.10620	4.8
209.11909	2.8
221.06667	3.1
221.11899	1.1
225.11336	49.5
226.11678	3.1
235.08270	5.5
243.12329	4.5
253.09201	1.1
255.23317	64.8
256.23581	5.6
287.07657	1.7
302.65140	1.1
305.08844	2.3
323.09857	1.4
359.48465	1.0
379.12277	6.9
397.13516	39.0
398.13629	2.1
415.14581	11.0
416.15274	1.3
513.78259	1.0
587.23413	2.1
605.24884	8.2
623.25586	6.6
653.38043	1.3
843.47406	2.0
861.48529	65.4
862.48810	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	861.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.4
69.03459	2.3
69.50758	3.3
69.51181	4.2
71.01005	1.9
71.01387	27.7
72.99308	2.4
73.02937	4.7
77.01127	1.1
81.03455	3.5
83.01382	2.7
83.05041	1.6
85.02953	6.0
87.00879	6.3
89.01932	1.8
89.02455	23.0
95.01387	1.3
95.91293	1.0
96.95992	1.4
97.02950	11.7
99.00881	3.2
101.02467	18.0
107.05009	1.1
109.06598	31.7
113.02467	8.1
119.03500	4.2
121.02998	1.3
121.06596	2.6
125.02464	6.7
133.97527	1.2
135.08127	4.6
136.05251	1.5
139.83778	1.1
141.01918	1.8
142.02744	2.2
143.03455	3.1
161.04553	5.0
161.09724	2.1
163.11313	18.1
179.05571	5.1
181.12335	3.9
189.09219	2.5
199.06052	1.1
207.10274	100.0
208.10577	4.7
209.11761	3.3
212.99942	1.2
221.06604	1.3
225.11330	33.4
226.11699	1.5
235.08278	7.9
241.26476	1.3
243.12244	1.4
255.23302	70.6
256.23648	5.3
281.13904	1.4
287.07449	2.2
305.08743	2.9
323.09793	2.7
379.12576	6.8
383.31995	1.2
397.13528	57.2
398.13809	2.4
415.14590	11.9
416.15018	2.0
605.24335	3.4
623.25391	3.7
653.37054	1.9
861.48553	57.7
862.48871	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	861.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96246	1.8
64.39313	1.4
66.54045	1.3
71.01064	1.3
71.01390	9.7
71.55696	1.7
73.02959	2.4
78.95901	4.6
78.98588	6.9
79.95744	24.3
80.96526	87.8
81.03495	1.5
85.02979	2.4
87.00871	2.1
94.98100	18.6
96.96018	2.6
101.02444	3.5
106.98103	5.6
122.97598	4.2
125.02425	2.9
134.97643	7.1
136.99139	1.6
148.29413	1.5
148.99178	4.2
152.98653	7.5
164.98637	14.7
206.99696	3.8
213.45024	1.7
225.00769	23.4
241.01100	2.7
255.23279	4.4
277.21780	3.3
287.71411	1.5
293.21320	3.2
388.45303	1.4
438.87872	1.5
605.21808	1.9
763.40027	1.8
843.45166	1.9
861.46912	100.0
862.47211	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.1
69.37309	6.4
69.37735	6.7
71.01399	4.7
72.99291	1.5
85.02944	5.0
87.00883	5.0
89.02434	2.5
96.96018	6.7
101.02484	2.4
113.02463	4.0
121.06612	21.6
123.08178	3.7
135.04535	4.0
136.05312	42.8
137.02452	2.0
137.09735	3.4
149.06088	15.2
150.06914	3.7
151.03975	2.7
155.10814	2.5
162.06854	2.8
163.07687	3.2
164.04810	91.2
164.08403	4.5
165.05341	5.8
165.09230	24.3
173.04674	2.0
173.06090	6.0
175.07584	5.3
177.05588	32.2
178.06116	2.9
181.05023	2.8
185.07098	1.6
191.05569	8.0
191.07141	3.7
193.08693	7.1
201.32605	1.7
273.11539	1.6
307.19131	2.9
327.74896	1.6
343.21265	16.1
344.21729	2.3
348.70654	1.7
417.15598	4.7
463.30536	9.4
476.74774	2.1
490.29376	3.9
491.30200	54.3
492.30551	6.3
501.28607	2.1
508.30042	2.2
509.31039	23.9
510.31735	3.6
519.29773	5.5
536.29718	5.6
537.30731	54.6
538.30981	11.3
578.30176	2.2
579.31641	6.7
681.34949	20.8
682.35480	2.0
699.35925	96.9
700.36127	15.1
797.97681	2.0
825.43390	9.1
826.44232	2.1
861.41339	100.0
862.41541	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	861.412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	6.3
70.89140	7.2
71.01391	49.4
71.07355	2.5
71.24788	2.7
73.02957	19.4
76.36968	3.4
83.01399	6.9
83.05019	5.6
85.02504	2.7
85.02954	18.3
87.00871	3.5
89.02451	13.6
95.01404	3.6
96.96008	10.4
99.00874	3.2
101.02440	26.8
106.21626	3.3
108.02169	4.0
113.02472	19.9
117.63611	2.7
119.03518	6.5
123.08182	22.5
131.03479	3.3
135.04541	4.7
137.09723	8.3
138.06850	8.2
143.03488	4.9
149.04556	3.4
153.09232	15.9
159.02991	3.8
161.04536	22.4
163.11282	22.8
167.03476	8.0
171.64757	2.6
173.04544	3.8
179.05652	3.1
189.12875	43.4
191.05547	15.4
195.06635	3.8
207.13911	57.4
210.08954	4.4
225.11429	7.5
225.14934	32.1
248.16414	3.1
267.39462	2.7
365.18253	3.1
387.20273	29.7
429.21283	100.0
430.21518	12.4
649.70880	3.6
699.19427	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	861.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62836	1.1
61.98830	2.7
68.39739	1.1
71.01391	6.6
71.55132	1.4
71.55526	1.6
75.00869	1.3
83.01408	1.2
83.04993	1.3
85.02961	4.8
87.00864	3.9
89.02437	3.5
93.03452	2.0
96.96019	8.4
97.06583	1.4
101.02429	3.0
106.89431	1.3
107.05035	1.2
113.02446	3.4
121.02912	1.3
121.06606	23.0
123.04524	1.6
133.02982	1.6
135.04546	3.4
135.08154	1.6
136.05312	46.3
137.02446	1.6
137.06075	1.3
137.09718	3.2
148.05280	2.2
149.06087	14.6
150.06830	5.2
151.00395	1.3
151.03955	1.7
155.10782	1.4
162.06885	2.5
163.07668	3.7
164.04810	100.0
164.08452	2.5
165.01971	1.5
165.05406	5.2
165.09215	25.5
166.02667	1.7
166.09454	1.4
173.04608	2.3
173.06070	5.8
175.07635	4.3
176.08127	1.0
177.05579	29.7
177.09021	1.1
181.05048	3.2
191.05617	8.6
191.07094	1.7
193.08693	6.6
261.18701	1.5
292.16666	1.8
307.19101	3.4
335.18860	1.1
341.08862	1.5
341.23447	1.2
343.21240	14.6
344.21429	1.6
417.15558	3.7
421.31412	1.5
441.18823	1.3
463.30698	7.7
473.29138	1.6
490.29166	4.5
491.30188	51.7
492.30338	6.3
501.28851	1.3
508.30438	1.4
509.31201	22.7
510.31284	3.1
517.27570	1.4
519.29529	5.0
536.29956	4.5
537.30670	52.2
538.31067	9.4
561.30365	1.7
578.31189	1.4
579.31934	4.2
653.35468	1.8
681.35028	20.1
682.35022	1.4
699.35870	90.2
700.36346	17.0
825.42657	4.4
826.42920	1.5
861.41254	99.3
862.41718	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	39.4
69.58093	58.0
71.01394	16.5
78.95919	12.1
96.96012	27.1
98.19916	18.9
103.00318	10.7
116.92847	58.9
117.92852	21.5
118.92702	14.3
151.00433	11.3
171.10243	10.2
207.10323	10.8
229.14275	13.2
253.09338	32.2
260.92227	9.4
277.21780	77.5
286.47922	9.6
309.20682	35.5
327.21793	100.0
397.13205	15.5
502.17416	12.0
513.82642	9.7
545.29663	33.7
563.30414	20.6
645.58551	10.2
859.48737	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	9.1
69.58309	23.5
71.01396	5.3
78.21548	3.3
78.95907	6.2
85.02994	5.6
89.02459	3.7
96.96031	8.3
101.02477	4.0
104.72819	4.4
107.19214	3.5
116.34144	3.4
116.92878	6.9
125.70137	4.0
171.10262	13.3
182.95998	3.4
183.13857	5.1
229.14485	4.1
235.08226	31.5
236.91571	3.8
253.09309	36.5
274.80948	3.9
277.21738	95.4
278.21851	4.6
309.20749	15.7
327.21765	100.0
328.21976	5.8
435.98270	3.8
513.31232	6.7
545.29645	9.5
563.30640	11.0
823.51300	5.3
859.49640	31.0
860.50195	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	857.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.1
71.01413	6.4
71.56313	4.7
71.56698	6.8
78.95896	7.6
83.13095	4.8
85.26582	5.2
98.69764	5.4
101.02424	6.5
111.94434	4.5
134.89497	100.0
148.31261	4.8
171.93741	5.0
177.00049	4.4
180.20555	4.9
209.12041	6.6
253.09190	17.2
277.21689	14.3
291.19684	80.3
292.20233	6.7
293.21286	86.4
294.21506	5.7
455.35306	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	858.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.75360	0.2
71.01402	0.7
71.56207	0.3
75.00893	0.4
84.43290	0.2
85.02972	0.5
87.00900	0.3
101.02470	0.8
113.02473	0.3
116.27053	0.2
135.04578	0.3
168.63748	0.2
178.18779	0.2
191.05710	0.5
202.07971	0.2
229.59015	0.2
663.37885	0.8
798.46265	2.3
859.44659	0.3
893.49500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93023	1.3
61.98835	13.7
62.75219	1.2
68.99834	1.5
69.26069	1.2
70.85742	1.3
71.01388	19.9
72.99316	2.4
73.02953	3.6
73.04517	1.5
75.00898	1.9
83.01418	5.1
85.02959	9.5
87.00875	1.6
89.02453	11.8
93.03453	3.0
95.01329	1.6
96.96015	11.1
98.20670	4.4
99.00908	2.6
101.02467	14.4
112.04130	1.6
113.02428	6.9
125.02507	1.8
127.44627	1.6
131.03485	3.3
135.04546	2.8
137.02437	2.1
149.02475	2.6
150.03264	2.4
161.04666	1.9
165.01935	10.1
165.05553	3.7
166.02451	1.4
166.06296	1.9
173.04533	2.5
177.01848	2.4
179.03494	4.3
180.04324	2.1
181.05048	5.0
189.00960	1.6
191.03854	1.8
191.05632	12.2
192.04282	1.8
193.05003	1.8
195.06639	7.1
207.06754	2.4
208.03839	2.0
223.06027	4.9
225.07710	3.9
259.48950	1.5
261.07675	3.0
449.14557	3.4
609.32385	2.0
635.38043	9.5
681.75220	2.0
696.64691	1.9
709.73566	1.5
717.42450	1.9
779.41907	3.4
797.43365	100.0
798.43433	20.0
857.35516	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	856.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	99.1
71.01389	22.6
71.25729	2.3
72.99300	2.0
75.74529	1.4
78.95914	2.0
82.95410	3.2
85.02958	7.8
87.00889	1.6
87.85439	1.3
89.02447	18.9
95.01388	5.2
96.96019	31.9
97.02957	3.1
97.95328	1.2
98.95560	3.4
101.02474	12.0
112.01669	3.7
113.02426	8.8
119.03499	7.9
143.03447	2.3
179.05594	3.1
191.05664	1.9
268.41440	1.4
269.75092	1.7
309.20676	4.1
310.20969	1.7
327.21704	2.9
328.22079	2.1
389.85025	1.7
423.79718	1.7
455.35226	2.8
497.36325	2.4
509.36313	7.2
510.36429	1.9
537.92456	1.4
557.24097	1.5
569.38501	15.4
570.39136	3.4
613.37463	35.3
614.38086	5.0
793.43829	100.0
794.44073	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.27596	0.2
69.27998	0.7
69.84870	0.1
71.01401	0.5
71.41795	0.1
75.00881	1.9
85.02961	1.2
87.00916	0.1
88.98825	0.1
89.02496	0.1
95.01398	0.2
101.02496	0.2
113.02450	0.5
116.92882	0.1
181.27415	0.1
194.37759	0.1
246.16624	0.1
455.35651	0.2
569.38678	0.4
570.39099	0.1
581.82233	0.1
631.38721	0.3
793.43878	6.0
794.44244	1.2
796.45636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.55500	0.1
65.61711	0.1
71.01393	2.3
72.01749	0.3
72.95805	0.1
72.99326	0.2
73.02961	0.7
83.01394	0.4
85.02972	1.2
88.98823	0.4
89.02444	0.3
96.96031	0.3
99.00938	0.2
101.02453	1.4
103.04014	0.2
111.23158	0.1
113.02486	0.7
119.03507	0.2
131.03540	0.1
147.60489	0.2
161.04559	0.2
179.06723	0.2
191.05661	0.3
226.10286	0.1
593.49664	0.2
634.39801	0.2
734.44183	0.2
749.45111	0.5
794.43921	0.3
795.44531	1.1
796.44727	5.5
797.45813	0.5
856.43982	0.4
857.44141	0.3
881.72284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81501	0.1
61.98837	100.0
71.01394	0.3
71.03792	0.3
72.99325	0.2
73.66578	0.2
74.70894	0.1
75.00881	1.9
76.08225	0.1
78.91922	0.2
80.91702	0.2
85.02955	1.2
88.98820	0.4
99.00931	0.2
113.02448	0.6
126.82114	0.1
251.19525	0.1
455.35745	0.2
569.38507	0.4
631.38928	0.5
793.43854	8.2
794.44312	1.7
883.95227	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	856.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.03449	0.3
70.86294	0.3
70.86624	0.4
71.01385	2.8
71.05037	0.4
72.99308	0.5
73.02956	0.7
75.00883	2.5
82.95401	0.6
83.01398	0.3
85.02969	2.8
88.98849	0.5
89.02439	0.4
95.01381	0.6
96.96016	0.6
99.00896	3.5
101.02437	0.6
113.02460	1.5
157.01418	0.3
191.05556	0.5
392.34308	0.3
435.56915	0.2
471.35013	0.6
629.37079	0.5
659.41876	0.4
731.44031	1.2
749.45392	0.3
793.43854	41.6
794.44238	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	853.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29367	2.7
71.01389	33.2
72.01687	0.8
72.99312	2.0
73.02947	14.5
75.00864	0.9
77.71227	0.7
83.01404	6.3
85.02958	23.2
85.03475	1.6
85.58557	0.6
86.00104	1.2
87.00890	4.3
89.02453	4.7
91.83022	0.7
95.01396	2.3
97.02976	1.3
97.11415	0.7
98.20607	0.7
99.00866	4.8
101.02454	27.3
103.04017	1.6
113.02456	14.6
115.03983	0.7
125.02469	1.5
131.03519	1.5
134.08096	0.8
143.03473	2.6
151.43114	0.7
152.33975	0.7
159.03000	2.4
161.04575	6.5
244.75128	1.0
246.35995	0.8
397.27466	2.1
411.38345	0.8
585.37909	4.3
647.37781	4.1
731.43903	4.6
749.44983	2.4
750.45209	2.1
775.43140	2.3
793.43835	100.0
794.44128	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	855.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01712	0.7
61.98844	3.4
70.22531	1.6
70.22910	1.2
71.01388	19.3
72.01738	0.8
72.38239	0.6
72.99322	2.9
73.02961	6.3
83.01385	3.8
85.02955	10.7
86.00069	0.6
86.03328	0.9
87.00874	2.5
88.98827	1.0
89.02449	5.6
95.01420	1.4
98.19975	0.8
99.00890	1.4
101.02455	11.5
103.04010	1.3
113.02467	6.4
119.03475	1.7
131.03502	3.1
137.51231	0.6
143.03467	1.4
154.05298	0.5
161.04637	0.6
169.94475	0.6
174.09584	0.5
209.11855	0.9
397.13562	0.7
405.31171	0.6
469.33386	2.4
487.34369	13.2
488.34656	2.7
535.97504	0.6
549.36487	0.6
619.38715	1.2
620.39807	1.0
621.39386	0.9
631.38538	2.2
632.38953	0.7
649.39569	8.0
650.39709	1.2
773.94403	1.1
781.43707	3.5
782.44458	4.5
783.44250	6.0
784.44574	2.1
795.45410	100.0
796.45697	21.2
854.95770	2.7
855.47729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	14.5
71.01019	1.0
71.01392	15.0
72.99311	0.9
73.02950	5.1
75.00883	4.5
77.59874	0.6
78.95905	0.7
83.01379	2.6
85.02957	9.6
87.00880	2.4
89.02467	3.0
95.01367	1.1
95.14687	0.7
96.95985	0.7
98.20744	1.4
99.00895	0.8
101.02444	8.8
103.04042	0.7
105.01969	0.6
113.02473	4.4
116.92930	0.9
119.03486	0.6
123.92868	0.8
125.02444	0.6
128.31679	0.8
128.39992	0.7
129.01991	0.7
129.26717	0.6
131.03537	1.3
143.03503	1.5
150.94830	0.7
155.00954	0.6
205.07213	0.6
230.39711	0.9
238.21851	0.7
266.38571	0.6
295.88165	0.6
443.35400	0.8
469.33423	3.6
487.34290	13.6
488.34650	2.2
613.37128	0.6
631.38531	2.5
649.39612	9.5
650.39941	1.4
795.45386	100.0
796.45685	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23104	0.1
69.18524	0.3
69.18925	1.3
71.01382	0.4
81.03457	0.3
83.05029	0.6
85.02954	0.6
87.00895	0.3
93.03465	2.7
98.19846	0.3
111.04522	2.1
117.03474	0.3
119.05036	48.5
120.05383	2.0
121.02979	0.2
127.04039	0.4
129.01917	0.2
135.04552	0.5
137.02469	0.6
155.03502	2.1
163.04018	100.0
164.04362	4.3
173.04568	3.7
179.03520	0.2
191.05623	9.3
192.05966	0.2
199.50340	0.2
222.64040	0.2
337.09296	34.4
338.09579	2.2
353.08759	0.3
390.49271	0.2
620.37274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63351	0.6
60.01704	0.9
61.98832	5.6
68.66232	0.5
69.03453	0.6
71.00058	0.5
71.01386	6.4
71.55231	0.9
73.02943	1.3
73.30672	0.5
75.00841	0.7
75.11135	0.4
83.01392	1.2
83.05029	0.9
85.02947	3.2
88.98830	0.6
89.02463	3.4
95.01420	1.2
96.96019	6.0
97.02925	0.7
101.02438	3.2
111.04485	0.5
113.02501	2.8
119.03496	0.8
125.02492	1.0
128.11926	0.4
135.04596	0.7
137.02408	0.9
151.03993	1.7
153.05579	1.1
161.02487	1.0
161.04562	1.2
173.04567	1.4
179.03485	1.5
179.05612	1.2
181.05081	45.4
182.05745	3.8
191.05615	3.4
194.05765	1.6
195.06590	0.6
196.07416	55.4
197.08177	17.8
198.08528	0.8
201.11334	3.8
209.08214	12.5
209.11835	9.6
210.08621	0.6
210.12212	0.6
211.09772	100.0
212.10081	5.4
227.12895	1.6
363.59186	0.6
397.13550	2.1
419.17203	3.0
421.18695	49.1
422.18912	4.8
456.58606	0.5
629.37201	0.9
631.27667	31.5
632.27966	6.1
647.34314	0.7
792.43127	0.8
793.41443	3.9
794.41168	0.7
853.42108	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	853.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	25.8
64.89672	3.1
71.01389	28.5
71.21064	3.3
71.56613	3.4
72.99300	5.5
73.02938	9.7
82.85629	3.5
83.01355	4.9
85.02979	21.4
87.00871	8.3
89.02449	13.4
93.03455	10.3
95.01399	3.9
96.96013	46.1
97.02869	4.0
101.02419	12.3
109.13776	2.7
113.02447	13.4
119.03485	3.6
130.50082	3.2
133.02985	5.8
135.04541	6.1
150.03255	5.5
151.03917	4.0
151.18047	3.9
154.17136	3.3
161.04552	6.4
165.05621	4.7
171.04541	4.4
172.05316	65.5
173.04504	4.3
173.05859	3.5
179.05528	4.1
181.05060	36.4
184.05258	12.7
185.06047	32.2
191.05618	20.3
194.06015	3.3
195.06435	3.7
196.07411	33.4
197.08092	10.8
198.06975	3.5
199.07652	9.1
201.11292	9.5
209.08174	11.9
209.11885	29.7
211.09772	69.6
212.10086	4.8
217.84538	3.4
227.12828	7.7
234.96793	3.4
264.14017	3.0
283.19196	3.1
325.23932	7.2
327.21707	9.1
397.13623	4.7
421.18723	32.0
422.18439	4.7
449.14575	4.7
468.28812	4.0
482.30441	7.1
483.30991	8.1
493.35031	3.6
501.84833	3.8
509.28564	6.2
510.29587	11.7
527.30835	4.2
528.31030	26.3
529.31708	33.9
530.31866	4.9
631.27435	18.5
632.28064	3.6
673.36078	9.6
691.36938	53.4
692.37616	7.9
746.59625	3.2
793.40649	32.1
794.41437	3.7
853.42108	100.0
854.42743	16.2
870.21906	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	849.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
69.26162	7.8
69.26562	2.0
71.01384	3.2
80.77100	0.8
85.02946	2.7
87.00885	1.2
89.02458	1.8
90.54312	0.9
93.03425	1.4
98.63918	0.8
99.04525	2.8
101.02471	2.3
113.02440	1.2
123.82263	0.8
135.04472	1.0
135.08177	1.6
140.13438	0.9
148.05295	1.1
149.06073	3.1
150.06882	40.7
151.07312	1.8
161.04150	1.0
162.06876	5.4
163.07674	19.5
164.08441	8.2
176.08505	1.3
177.09204	2.8
178.09987	2.1
179.10796	14.8
191.05635	4.0
236.40167	1.0
343.24915	1.8
343.81732	1.0
345.22769	3.7
353.08633	1.0
387.10660	2.8
387.90414	1.1
446.30191	1.8
461.32767	2.2
464.31293	4.1
478.33029	6.7
479.33780	9.8
480.34415	1.3
489.32312	1.0
506.32407	8.7
507.33298	12.2
508.33801	1.6
523.32898	2.1
524.33624	7.0
525.34283	14.2
526.34674	2.1
669.38257	2.4
687.39233	5.8
688.40442	1.8
849.44922	100.0
850.45215	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	849.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.4
63.27316	1.0
69.71690	3.2
69.72095	2.2
71.01419	1.4
85.02939	2.1
87.00849	1.0
95.52283	1.1
113.45126	1.0
135.08151	1.5
142.31795	1.1
149.06056	4.1
149.09810	1.1
150.06877	46.0
155.10834	1.1
162.06880	6.0
163.07654	19.1
164.08469	7.7
176.08434	1.6
177.09175	3.6
178.09906	2.0
179.10774	19.8
180.11136	1.6
198.15398	1.1
198.94125	1.0
227.79689	1.0
267.69781	1.1
302.99374	1.2
343.24966	1.8
345.22845	4.9
434.24289	1.0
446.30609	1.3
462.33023	1.5
463.34067	1.1
464.31476	5.4
478.32816	7.5
479.33774	13.7
480.34012	2.2
506.32715	5.1
507.33179	2.5
523.32648	2.0
524.33533	10.0
525.34320	21.8
526.34521	3.1
669.38953	1.2
687.39679	10.7
688.40289	1.9
725.50983	1.3
785.63599	1.1
849.44885	100.0
850.45203	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.45
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.6
61.98830	1.8
69.23026	2.8
69.23441	5.9
71.01392	10.6
72.99303	1.8
73.02924	1.2
78.95919	2.4
85.02962	4.5
87.00861	2.7
89.02461	5.7
92.13661	0.9
93.03468	2.1
95.01400	1.1
96.96024	6.8
99.04500	1.3
101.02457	4.4
109.02939	1.2
111.04510	1.3
113.02455	3.2
116.92819	1.0
119.03506	2.3
124.01638	4.1
127.11275	1.4
134.03874	1.0
135.04541	1.8
136.05345	8.2
137.02414	1.4
139.04013	7.1
147.08125	1.2
149.04373	1.0
149.06059	3.2
150.06897	11.3
155.10764	1.8
155.85466	0.9
161.02414	1.2
161.06073	1.2
162.06882	55.9
163.07690	10.8
164.04761	2.1
164.08394	1.7
165.01881	2.0
165.09201	2.9
171.10217	2.1
173.04547	1.3
173.06070	1.3
175.07683	4.3
176.06900	1.5
176.08440	29.7
177.09229	35.3
178.09570	1.6
180.04198	1.0
191.05635	8.7
207.02843	1.0
265.21689	2.1
283.22812	2.6
303.08591	2.1
329.23370	23.9
330.23749	2.0
331.08240	8.4
428.29318	1.4
443.32022	1.9
445.33255	1.2
449.32727	3.0
461.32498	1.6
462.33136	1.3
470.30658	1.3
478.33148	2.2
479.33792	1.9
488.31403	2.5
489.32230	16.3
490.32489	3.1
495.33292	7.5
507.33334	5.6
669.39142	4.7
670.38855	1.1
687.39655	15.8
688.39685	2.9
811.45001	12.1
812.45093	3.8
813.45569	6.9
849.44922	100.0
850.45013	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	849.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.8
61.98822	3.8
63.49656	0.9
69.03456	4.5
69.37715	0.9
71.01019	1.0
71.01389	17.4
71.04993	1.4
72.99301	2.0
73.02939	2.4
80.02644	1.1
81.03462	2.1
83.01378	2.2
83.05052	4.4
83.05435	0.8
84.02148	1.4
85.02955	5.1
87.00876	4.8
89.02449	8.9
93.03447	2.9
95.01376	1.6
95.05005	1.4
96.96004	3.5
97.02942	2.4
97.06580	1.3
99.00889	1.4
101.02454	11.0
109.06582	1.1
111.04501	1.2
113.02419	3.8
119.03475	2.4
123.04582	1.1
123.08142	1.8
125.02394	2.8
125.09730	2.3
131.03477	1.0
135.04541	1.6
135.08174	1.2
143.03531	1.3
149.04573	1.1
149.05939	1.0
151.11243	1.8
153.12793	1.6
161.02484	1.0
161.04521	1.4
161.09714	3.4
163.11275	3.2
165.12897	1.5
179.05629	1.3
179.10764	4.7
191.05647	7.0
197.11841	53.4
198.12137	1.9
207.10114	1.8
209.11833	48.2
210.12215	2.0
223.09639	1.2
225.11288	1.7
227.12817	2.4
229.72066	1.4
241.10834	3.0
248.47189	0.9
276.93079	0.9
279.03998	0.8
397.13171	2.3
465.35599	2.4
813.46124	1.3
831.37341	1.2
849.37555	100.0
850.37952	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	849.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.6
59.01384	25.4
59.20537	0.9
59.82381	1.4
60.13798	1.2
70.30018	3.9
71.01391	12.4
73.02939	3.8
78.15910	1.0
83.01376	2.1
83.04995	1.0
85.02962	5.8
87.00890	1.9
89.02453	9.3
93.03452	2.6
93.47279	1.0
96.96037	6.3
99.04502	2.9
101.02453	8.8
113.02451	5.0
119.03514	2.2
131.03473	1.2
135.04568	1.4
135.08170	2.4
145.92163	1.4
149.04518	1.1
149.06078	3.1
150.03163	1.9
150.06882	37.3
151.07266	2.7
161.04541	1.8
162.06870	7.1
163.07668	18.2
164.08377	4.5
165.05568	1.7
165.24103	1.1
173.04549	4.0
176.08365	3.0
177.09210	4.2
178.09998	2.0
179.03572	1.6
179.10817	14.0
187.09715	1.4
191.05655	10.9
201.11246	1.3
207.04984	1.4
207.13940	1.7
251.12856	5.1
301.20038	1.3
313.23938	1.4
315.21713	3.1
343.24948	2.1
345.22833	2.2
431.19257	8.0
432.19690	1.5
434.30450	1.4
449.32639	2.4
464.31485	2.4
477.32269	1.3
478.32785	8.7
479.33807	10.8
480.34216	2.6
491.34073	1.5
495.33176	7.2
523.32983	3.0
524.33282	5.8
525.34515	11.9
544.27148	3.0
544.77539	2.0
549.29144	3.4
673.04474	1.2
687.39587	7.4
688.40533	2.0
695.38196	1.2
849.44916	100.0
850.45129	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.1
62.71223	0.1
70.80685	0.3
78.95914	5.2
79.06522	0.1
79.95745	3.8
96.96024	100.0
96.96915	6.4
97.95964	0.2
114.54532	0.1
155.86600	0.1
191.05643	0.1
191.92120	0.1
379.54080	0.1
381.18707	0.1
418.55963	0.1
459.54153	0.1
483.90402	0.1
488.93918	0.1
538.34009	0.1
749.44824	0.4
847.43085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.1
61.73191	0.1
61.98829	0.2
70.59139	0.1
70.59541	0.1
78.95910	4.8
79.95744	3.9
88.02486	0.1
94.98080	0.1
96.96019	100.0
96.96905	5.1
97.95957	0.2
209.58209	0.1
271.64755	0.1
398.32184	0.1
419.06091	0.1
647.38690	0.1
749.44769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
69.26048	0.7
69.26614	6.9
69.26974	1.2
71.01378	3.0
71.05000	1.1
74.90601	0.8
83.05009	0.9
85.02962	3.1
87.00881	3.8
89.02457	2.2
93.03489	1.4
94.93684	1.0
96.96037	1.8
99.04514	3.1
101.02433	2.0
111.04549	1.0
111.08122	0.8
113.02407	1.1
123.08161	3.0
127.07633	1.9
135.04483	1.7
135.08209	1.8
136.05258	1.2
142.43860	0.8
145.05092	1.0
149.06076	2.3
150.06879	40.6
151.07204	1.7
155.10832	2.0
160.13298	0.7
162.06888	6.5
163.07671	19.0
163.11317	1.1
164.08446	6.5
173.04536	2.1
173.08197	4.2
176.08401	2.2
177.09186	2.5
178.09947	2.4
179.03520	1.0
179.10774	16.3
179.12256	1.5
187.09787	0.9
191.05605	3.7
193.01584	0.8
201.08476	0.8
201.11351	2.5
236.74649	0.9
238.46710	0.8
299.18634	1.1
325.20151	1.5
341.23434	1.2
343.21237	3.1
353.08646	0.9
370.28168	0.9
413.30542	0.8
459.31097	2.5
460.02545	0.8
460.31531	0.9
462.29785	3.2
476.31390	5.4
477.31958	6.0
487.30557	1.0
504.30994	6.4
505.31793	16.0
506.31836	1.9
521.31183	2.3
522.31848	7.3
523.32825	13.2
524.33301	1.7
667.36890	5.6
685.37988	5.6
686.38293	1.6
829.42804	1.2
847.43378	100.0
848.43701	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	847.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
59.51226	0.7
69.28085	1.1
69.28493	4.2
70.27335	0.7
71.01381	1.9
71.66663	0.7
85.02952	2.1
87.00893	1.5
96.96017	0.9
97.06571	1.2
109.06600	0.8
109.97953	0.6
111.08136	1.1
111.97729	0.6
113.02410	0.8
123.08184	1.8
135.08122	0.7
135.87321	0.6
137.09708	1.2
149.06088	1.8
150.06880	34.6
151.07362	0.7
152.23125	0.7
155.10681	0.9
157.08736	1.2
161.09834	0.9
162.06882	4.2
163.07658	14.1
164.08418	7.1
176.08479	1.1
177.09196	2.3
178.09940	2.1
179.10794	20.0
191.05589	1.1
216.30756	0.6
229.10858	1.3
256.44864	0.7
299.18759	0.7
306.18164	1.0
317.10117	0.7
320.19727	0.9
321.20923	0.9
341.23285	2.4
343.21320	6.1
364.22427	1.7
441.30002	1.5
459.31284	1.6
462.29831	1.5
476.31726	3.9
477.32166	11.6
478.32611	1.8
503.30081	1.3
504.30841	2.5
505.31689	2.9
521.31274	3.2
522.31921	6.2
523.32758	23.3
524.33209	3.3
553.02728	0.8
667.36462	0.9
685.38123	11.8
686.38196	1.3
691.86591	0.8
777.53296	0.7
804.20807	0.7
847.43359	100.0
848.43646	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	847.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
68.41780	0.8
69.40646	5.3
71.01398	1.2
75.48255	0.7
85.02944	1.8
87.00877	1.7
96.96022	1.0
113.06124	0.7
123.08181	1.3
136.96767	0.9
137.09683	1.8
147.32468	0.8
149.06068	1.1
150.06880	33.3
151.07323	1.7
157.87828	0.7
162.06886	3.7
163.07655	11.3
164.08420	5.9
171.10214	1.2
177.09233	2.5
178.10068	1.0
179.10800	19.7
180.11124	0.8
306.18307	1.3
320.19495	0.8
341.23407	1.9
343.21240	6.0
428.50739	0.7
459.30649	0.9
462.29672	2.0
476.31577	5.5
477.32224	11.2
478.32626	1.5
503.29922	1.6
504.30902	2.8
505.31540	1.5
521.31165	2.3
522.31970	7.6
523.25360	1.6
523.32751	21.5
524.33124	4.2
629.26837	1.0
667.36987	1.1
685.38196	9.9
686.38458	1.5
768.68475	0.8
847.43341	100.0
848.43762	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	73.6
60.01710	0.8
61.98839	1.6
65.16273	0.8
67.11917	0.7
68.99844	0.8
69.03461	1.1
71.01391	51.2
71.54193	1.2
72.99306	5.1
73.02562	1.0
73.02956	14.9
74.22539	0.7
75.00871	1.0
78.95897	0.9
79.79625	0.9
83.01394	14.8
85.02959	33.4
86.00108	3.1
87.00877	2.8
89.01936	1.3
89.02454	16.6
95.01387	3.4
96.96001	1.9
97.02955	1.7
99.00877	3.6
101.02453	44.6
103.04018	3.0
112.01670	1.4
113.02464	14.4
116.92873	0.9
119.03509	6.4
131.03513	27.9
132.03786	0.8
143.03513	0.9
161.04602	6.3
163.06085	1.0
166.91193	0.9
171.01791	0.8
179.05605	3.4
209.11810	3.3
255.23228	1.8
445.31329	0.9
537.36121	4.5
538.35931	1.4
581.34760	0.9
615.91510	0.8
639.19604	0.8
674.05579	0.9
683.41687	89.8
684.41901	15.9
699.41071	6.6
700.41553	1.0
717.82770	1.0
845.46924	100.0
846.47296	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	845.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
61.98829	12.0
70.08501	1.1
71.01389	12.3
71.55874	1.9
73.02954	2.8
78.95954	1.1
83.01390	2.2
85.02960	7.6
87.00843	1.9
89.02435	3.8
93.03470	2.3
95.01336	1.5
96.96019	14.1
98.95599	1.8
99.00922	1.3
101.02429	6.0
109.03005	1.3
113.02445	3.6
121.02902	1.6
121.06599	9.8
131.81700	1.3
135.04518	3.4
136.05307	25.3
137.02444	1.3
149.06087	7.2
150.06844	3.8
162.06851	3.2
163.07703	3.2
164.04802	39.6
164.08379	2.3
165.05310	2.0
165.09233	9.3
173.04559	2.6
173.06032	2.8
175.07642	3.3
177.05589	15.6
179.10887	1.6
182.02248	1.7
191.05684	10.7
191.07240	1.9
193.08664	2.9
197.04590	1.7
207.45213	1.5
223.06131	2.4
281.21222	1.7
306.62527	1.2
326.03214	1.4
327.21875	6.5
357.13605	1.5
432.28845	2.1
447.31177	3.6
474.29739	1.9
475.30692	22.7
476.30725	3.3
493.31696	12.4
503.30289	2.2
520.30341	2.7
521.31213	28.5
522.31329	3.9
563.31885	3.6
645.25470	2.3
665.35632	9.1
683.26752	0.8
683.36346	50.9
684.36853	8.6
749.44623	5.5
809.42731	7.1
845.41241	100.0
846.41693	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.98836	100.0
62.65864	0.1
62.98537	0.1
70.08476	0.4
71.01391	0.7
83.01401	0.1
85.02966	0.3
89.02448	0.2
96.96033	0.4
98.61333	0.1
101.02477	0.4
104.65254	0.1
106.01614	0.1
113.02472	0.1
131.03482	0.1
136.80763	0.1
151.60072	0.1
194.54724	0.1
225.36035	0.1
323.35214	0.1
534.32050	0.1
538.33459	0.1
690.93640	0.2
783.29413	0.1
783.45758	0.5
784.44873	1.1
844.97858	0.1
845.40912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.64059	0.1
61.98835	100.0
69.32474	1.0
71.01392	0.7
73.02937	0.2
75.00887	0.2
83.01381	0.2
85.02970	0.5
89.02465	0.2
101.02470	0.4
110.68288	0.1
113.02473	0.4
131.52289	0.1
165.85487	0.1
209.11974	0.1
455.36081	0.2
493.52460	0.1
631.38916	0.6
632.39020	0.3
688.45721	0.1
781.44580	0.2
782.45020	0.1
783.45477	0.3
784.44476	1.0
785.44885	0.2
850.49194	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.75097	0.7
61.98823	2.5
66.04108	0.7
71.01380	2.2
71.69699	0.7
71.75299	0.8
73.02942	0.9
79.95748	3.9
80.96523	1.2
82.93749	0.7
85.02966	0.9
87.40340	0.8
92.35967	0.8
95.95290	1.8
96.96020	88.3
101.02415	1.2
106.52802	0.7
152.15668	1.0
257.85498	0.8
314.51617	0.9
351.11188	4.5
393.02332	0.9
433.18845	2.6
626.74030	0.9
639.36371	1.7
683.34760	19.7
684.35333	2.8
718.59918	0.9
765.44043	2.1
845.40015	100.0
846.40417	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	845.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
61.98825	1.5
66.30157	0.5
71.01390	1.1
73.02962	0.6
74.37348	0.5
79.95733	3.8
80.96523	1.4
85.02956	1.0
95.95255	1.2
96.96021	78.9
99.17824	0.6
101.02439	1.0
103.41775	0.4
130.70479	0.5
229.19994	0.7
267.60184	0.5
302.19504	0.6
351.11154	3.7
419.17700	0.7
433.19043	1.8
513.25360	0.8
569.24579	1.7
639.35699	0.9
683.34698	20.8
684.35150	4.3
785.50415	0.8
809.43964	0.6
845.39990	100.0
846.40363	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	842.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.01799	0.2
61.98836	100.0
71.01392	2.0
72.01741	0.2
72.99311	0.4
73.01825	0.1
73.02968	0.4
74.67883	0.1
75.00874	0.2
83.01407	0.4
84.30424	0.1
85.02970	1.0
86.03334	0.1
87.00892	0.2
88.98811	0.2
89.02460	0.5
93.03484	0.1
95.01402	0.2
96.96034	0.6
98.19833	0.3
99.00887	0.3
101.02453	1.2
103.02901	0.1
113.02460	0.5
114.02778	0.2
121.98431	0.1
131.03522	0.4
135.04507	0.1
149.05986	0.1
161.04546	0.2
164.52957	0.1
191.05617	0.3
221.63156	0.1
261.21375	0.1
320.28470	0.1
427.34506	0.2
556.37854	0.2
619.38025	0.2
620.38379	0.3
621.37195	0.2
780.42419	0.3
781.42468	0.7
782.43256	3.5
783.45270	0.5
842.42938	0.3
843.39758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98835	100.0
62.98562	0.2
69.68943	0.1
71.01393	0.4
73.49337	0.1
76.94237	0.1
85.02970	0.3
91.35902	0.2
96.96015	0.3
98.20667	0.4
101.02436	0.2
109.76868	0.1
113.02468	0.2
209.11719	0.2
353.93417	0.1
409.80899	0.2
429.51913	0.1
530.70465	0.2
543.67499	0.1
782.47430	0.5
783.49127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.98835	100.0
71.01375	0.7
71.54940	0.2
72.99330	0.2
73.02946	0.3
75.00891	0.6
83.01420	0.2
85.02959	0.4
89.02467	0.3
96.96043	0.4
101.02470	0.4
113.02476	0.3
133.99893	0.2
152.67900	0.1
163.07718	0.2
167.49916	0.1
191.05612	0.4
203.69203	0.1
259.09653	0.1
274.50705	0.1
391.41046	0.1
551.12378	0.2
586.47528	0.2
780.29138	0.2
782.46234	1.0
783.49030	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	843.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.7
60.97593	0.4
64.82967	0.6
67.01900	0.8
71.01404	1.3
71.54549	0.8
73.64167	0.5
83.05025	1.0
85.02964	1.4
85.07500	0.5
87.00947	0.5
89.02473	0.8
89.03976	1.1
93.03460	4.6
96.96026	1.8
107.05063	0.6
109.02978	2.9
109.06597	1.3
111.04517	2.2
117.03481	8.7
119.05048	2.7
119.65418	0.5
121.02983	1.8
121.29713	0.5
126.11577	0.5
126.42680	0.4
133.02916	0.8
134.03757	87.7
135.04482	3.6
137.02467	1.0
137.06093	9.7
145.70985	0.5
149.02478	0.7
149.06085	7.3
155.03548	2.6
164.04800	0.7
166.44106	0.5
173.04553	7.3
178.02806	0.5
179.03542	1.0
181.05083	32.1
182.05409	1.7
191.05629	11.1
192.05948	1.0
193.05067	100.0
194.05421	4.0
203.03299	1.8
204.03568	0.9
223.06187	1.5
275.15067	0.5
293.08932	1.0
320.28931	0.6
353.08740	2.0
367.10358	43.2
368.10730	4.0
400.94290	0.6
471.44269	0.6
475.14603	39.7
476.14886	4.3
499.14047	0.6
604.96857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.7
69.18697	6.0
69.66486	16.6
69.66892	21.6
71.01383	9.5
78.95905	8.0
79.15466	5.1
80.52001	5.4
80.96519	21.2
114.20564	6.5
134.39366	6.5
171.38289	5.6
191.05666	8.8
194.10564	5.7
196.89438	18.1
223.15514	6.8
225.00536	7.1
237.30086	5.6
253.09343	9.8
277.21732	89.3
278.21991	7.6
290.75058	5.6
291.19678	100.0
356.43417	5.6
471.84097	5.9
652.80322	6.4
768.36322	6.5
841.50122	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	841.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42817	2.9
61.98830	13.2
68.99571	3.1
70.78363	4.1
70.78669	6.8
80.96528	7.3
96.96006	6.7
99.92597	12.8
100.92613	6.5
114.93394	4.7
116.92875	100.0
117.92890	45.1
118.92614	22.2
118.93427	5.5
129.81349	3.7
173.04576	3.3
253.09364	7.3
279.23276	5.4
293.21213	32.6
301.75375	3.4
408.09573	3.5
841.49988	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	841.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18472	18.0
61.98818	32.9
75.40289	16.7
80.18578	17.8
80.96521	35.1
81.75482	19.2
146.92352	17.8
253.09325	18.8
277.21646	100.0
279.23300	49.4
291.19778	23.0
309.20636	74.0
481.00116	20.9
841.50586	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	20.3
68.99583	15.3
70.66845	7.9
70.67233	7.9
71.01394	10.4
78.98594	10.0
79.95747	24.4
80.96519	100.0
83.14930	5.0
85.52547	3.8
88.69210	3.9
94.98098	18.2
105.51362	3.9
106.98096	3.9
111.61781	4.6
112.89735	4.2
112.98565	9.6
122.97591	9.5
125.02394	5.0
134.97552	8.0
148.99123	8.7
152.98625	8.8
164.98656	12.4
168.82245	4.4
179.66055	4.4
206.99629	4.1
225.00732	14.5
226.02708	4.5
229.99355	4.0
230.01685	4.1
234.90640	4.1
312.69214	4.3
390.43405	4.8
409.64902	4.6
479.66376	4.7
480.61322	4.6
758.89783	5.4
841.51471	84.1
842.51410	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.4
59.01390	20.3
61.98838	7.9
71.01389	16.5
72.99313	1.2
73.02962	4.4
83.01405	2.3
85.02971	7.7
87.00842	1.2
89.02457	8.7
95.01418	0.8
96.96011	1.2
99.00875	1.1
101.02453	10.8
113.02474	5.8
119.03530	1.1
131.03493	2.8
149.04567	1.0
174.67186	1.0
229.74103	1.3
298.65836	1.0
314.31046	1.0
376.61557	1.0
439.32117	1.9
469.33405	2.4
487.34232	9.0
488.34708	1.6
601.37378	2.5
619.38214	13.5
620.39301	1.6
781.43823	100.0
782.44244	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	841.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.3
61.98840	25.0
64.97118	2.1
69.23331	10.2
69.23763	8.7
71.01387	21.5
72.99309	3.2
73.02956	3.0
75.00882	5.0
78.95919	3.0
83.01376	2.5
85.02956	12.6
87.00889	3.2
89.02460	13.5
93.03446	4.9
95.01394	2.3
96.96018	45.8
101.02457	14.9
113.02432	8.1
119.03504	1.9
125.02480	2.6
129.41315	1.8
131.03528	3.1
133.02980	3.1
135.04482	5.7
150.03249	4.9
150.70995	2.1
155.03490	2.3
165.05565	5.4
173.04550	5.7
181.05127	3.0
183.00575	2.3
191.05609	16.8
193.05064	3.1
195.06581	2.8
225.07596	1.9
276.74673	2.1
439.31491	2.4
487.34357	7.3
601.37494	7.4
619.38525	19.3
620.38263	4.0
661.36621	2.2
763.43311	2.8
781.43872	100.0
782.44189	25.7
840.37671	2.1
841.41406	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	841.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.3
61.98834	3.1
63.47309	0.4
69.94918	0.6
69.95314	1.1
71.01391	5.2
72.99327	0.6
73.02937	0.4
78.49841	0.3
83.01360	0.5
85.02962	1.7
85.26817	0.3
87.00893	0.7
89.02458	3.5
93.03474	0.5
96.96030	2.0
99.00858	0.5
101.02449	3.2
113.02495	1.7
131.03493	1.9
160.47162	0.3
161.04602	0.8
165.01932	0.5
173.04459	0.6
181.05055	0.7
191.05638	1.4
195.06551	0.4
225.07724	0.4
327.66092	0.4
591.00854	0.4
601.37390	6.2
602.37921	1.3
619.38550	100.0
620.38898	18.5
643.37476	0.5
661.39618	3.0
662.39758	0.8
689.36932	0.4
781.44330	2.5
841.46356	0.6
860.15472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.6
59.01382	17.5
61.98809	1.6
70.04732	1.1
71.01391	16.1
71.84871	1.3
73.02953	2.7
76.69772	1.2
80.99322	1.2
83.01423	2.3
85.02974	7.6
89.02473	7.3
93.57701	1.2
96.96055	1.5
97.07326	1.2
98.19847	2.5
101.02467	8.9
104.59978	1.3
113.02459	2.6
119.53786	1.2
184.28777	1.3
201.65411	1.4
223.28427	1.4
282.54117	1.5
487.34344	7.2
619.38965	9.2
620.38733	2.7
781.43872	100.0
782.44165	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.0
61.98819	1.4
65.35735	0.8
69.03478	1.0
69.53748	4.8
71.01014	1.3
71.01389	19.9
71.05020	2.7
72.99306	4.9
73.02937	1.5
75.00481	1.3
75.00878	21.3
83.01382	1.2
84.02147	1.0
85.02960	28.0
87.00897	5.5
89.02459	9.0
93.03450	2.2
95.01379	3.3
96.96014	2.8
97.39316	0.9
99.00883	5.0
101.02452	8.5
109.02998	1.0
111.04499	1.0
113.02455	14.7
115.00335	1.5
116.01137	1.8
119.03487	2.4
125.09712	1.0
129.04405	0.8
131.32860	0.9
133.02957	1.2
135.04561	1.6
137.02455	1.7
140.60489	0.8
144.20969	0.9
151.00366	1.3
152.14864	0.8
157.01379	1.3
166.02681	1.2
173.04535	2.8
175.02428	1.6
181.04951	1.2
182.92633	0.7
187.09894	1.1
191.05611	8.3
210.01123	1.0
261.13406	1.1
357.13712	1.1
417.15506	2.2
661.35840	1.4
841.42279	100.0
842.42627	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	841.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	48.6
61.98833	24.4
65.02987	1.4
69.03438	1.9
71.01389	39.1
72.99318	2.5
73.02955	13.4
73.60777	1.6
75.00880	1.9
78.95908	1.8
83.01398	6.0
85.02959	23.0
87.00883	5.5
89.02465	7.1
93.03485	2.9
96.96036	14.0
99.00896	4.5
101.02449	27.5
103.04025	3.4
113.02464	17.0
131.03529	3.6
134.89488	4.8
135.04538	2.6
137.02341	1.5
143.03481	2.0
155.68509	1.6
159.03021	3.3
161.04562	6.7
171.10210	2.1
173.04608	3.3
179.36093	1.6
191.05583	5.4
209.11771	4.4
229.11395	2.2
301.07333	2.1
331.24915	1.9
357.27896	3.7
362.34430	1.7
541.96057	1.8
589.37384	4.5
619.41937	6.2
635.40955	3.2
751.42950	4.7
781.46082	100.0
782.45801	23.7
841.38080	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	841.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.0
61.98819	1.4
65.35735	0.8
69.03478	1.0
69.53748	4.8
71.01014	1.3
71.01389	19.9
71.05020	2.7
72.99306	4.9
73.02937	1.5
75.00481	1.3
75.00878	21.3
83.01382	1.2
84.02147	1.0
85.02960	28.0
87.00897	5.5
89.02459	9.0
93.03450	2.2
95.01379	3.3
96.96014	2.8
97.39316	0.9
99.00883	5.0
101.02452	8.5
109.02998	1.0
111.04499	1.0
113.02455	14.7
115.00335	1.5
116.01137	1.8
119.03487	2.4
125.09712	1.0
129.04405	0.8
131.32860	0.9
133.02957	1.2
135.04561	1.6
137.02455	1.7
140.60489	0.8
144.20969	0.9
151.00366	1.3
152.14864	0.8
157.01379	1.3
166.02681	1.2
173.04535	2.8
175.02428	1.6
181.04951	1.2
182.92633	0.7
187.09894	1.1
191.05611	8.3
210.01123	1.0
261.13406	1.1
357.13712	1.1
417.15506	2.2
661.35840	1.4
841.42279	100.0
842.42627	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	841.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.0
61.98819	1.4
65.35735	0.8
69.03478	1.0
69.53748	4.8
71.01014	1.3
71.01389	19.9
71.05020	2.7
72.99306	4.9
73.02937	1.5
75.00481	1.3
75.00878	21.3
83.01382	1.2
84.02147	1.0
85.02960	28.0
87.00897	5.5
89.02459	9.0
93.03450	2.2
95.01379	3.3
96.96014	2.8
97.39316	0.9
99.00883	5.0
101.02452	8.5
109.02998	1.0
111.04499	1.0
113.02455	14.7
115.00335	1.5
116.01137	1.8
119.03487	2.4
125.09712	1.0
129.04405	0.8
131.32860	0.9
133.02957	1.2
135.04561	1.6
137.02455	1.7
140.60489	0.8
144.20969	0.9
151.00366	1.3
152.14864	0.8
157.01379	1.3
166.02681	1.2
173.04535	2.8
175.02428	1.6
181.04951	1.2
182.92633	0.7
187.09894	1.1
191.05611	8.3
210.01123	1.0
261.13406	1.1
357.13712	1.1
417.15506	2.2
661.35840	1.4
841.42279	100.0
842.42627	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	841.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
65.41788	0.5
67.01890	3.8
68.31255	0.5
69.03477	1.3
69.04095	0.5
71.01399	4.5
73.02947	0.7
81.03463	0.6
83.05042	1.0
85.02968	6.9
87.00896	1.8
93.03469	29.4
96.96001	1.1
101.02449	0.6
109.02972	2.1
111.00902	1.4
111.04535	5.6
117.26073	0.5
119.05096	0.5
127.04042	2.9
133.02966	2.5
134.03769	4.3
135.04541	64.8
136.04872	2.2
137.02457	5.2
137.03412	0.7
155.03479	4.7
161.02495	2.8
173.04565	100.0
174.04909	3.3
177.01949	0.7
179.03516	60.8
180.03856	2.1
191.05630	52.8
192.06023	1.5
193.05008	0.8
203.03311	3.5
207.05142	7.9
221.38434	0.6
223.06073	0.8
265.74219	0.6
353.08792	78.9
354.09140	6.7
497.12903	1.2
745.19031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.99295	0.2
66.34003	0.1
67.01908	0.3
69.03490	0.1
71.01365	0.7
71.38596	0.1
75.33026	0.1
81.03455	0.3
83.05059	0.2
85.02956	6.2
86.03296	0.2
87.00884	1.1
89.96151	0.1
93.03468	2.8
96.96036	0.2
99.04562	0.3
105.03445	0.2
108.38593	0.1
109.02966	0.8
111.04516	0.8
119.05049	0.3
121.02975	0.2
127.04029	1.6
127.29913	0.1
133.02963	1.1
135.04538	1.2
152.91638	0.2
155.03471	0.1
161.02441	1.8
171.03012	0.5
173.04578	1.4
177.01968	1.7
178.22656	0.2
179.03522	0.8
191.05626	100.0
192.05957	3.7
193.01425	0.2
235.06209	0.2
263.09232	0.2
273.38895	0.1
347.17441	0.1
351.07343	0.4
353.08765	11.1
354.09143	0.8
355.36462	0.1
367.17545	0.2
414.52118	0.2
416.79269	0.1
455.10550	0.2
471.11639	0.8
471.86899	0.1
489.14334	0.2
567.77167	0.2
618.25470	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	840.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98835	100.0
68.99820	0.6
69.03436	0.5
69.98683	2.8
71.01379	4.1
73.02969	0.9
75.00883	3.1
80.96526	0.9
82.95423	1.5
83.01424	0.7
85.02950	4.0
88.98777	0.7
89.02457	0.9
95.01373	0.9
96.96025	1.9
98.19978	0.7
99.00903	3.2
113.02470	2.0
115.44199	0.6
127.04112	0.6
191.05664	0.8
194.92940	0.6
209.11874	1.8
293.21323	2.3
455.35345	2.8
504.72238	0.5
569.38818	2.2
613.38220	1.6
680.51392	0.6
737.76190	0.7
777.44366	46.8
778.44684	10.3
778.57587	0.7
841.51904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	23.8
61.98826	2.3
63.38210	0.8
69.97121	4.8
71.01389	13.6
72.99330	2.3
73.02949	4.7
78.00166	0.9
83.01388	2.8
85.02969	7.7
87.00932	1.1
88.98827	1.4
89.02459	4.0
95.01415	1.7
96.96029	2.6
97.02997	1.2
98.19899	1.8
99.00883	1.2
101.02451	10.1
103.04044	1.4
113.02467	4.2
114.02052	0.8
131.03586	1.5
143.03500	1.5
153.61328	0.9
161.04613	2.2
161.77304	1.0
353.22595	1.0
453.33731	1.8
471.34848	3.7
615.39471	1.3
633.40057	4.0
634.39490	1.3
647.81683	1.0
765.44482	1.1
767.49548	3.2
768.50964	1.8
779.45886	100.0
780.46136	24.5
838.98749	1.8
839.97821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.3
60.99301	0.9
61.98811	1.4
71.01385	41.3
72.98869	0.5
72.99279	1.4
73.02950	11.6
75.00862	0.7
83.01392	8.1
85.02956	22.6
87.00879	1.8
88.98801	1.6
89.02457	8.8
95.01413	3.0
96.96010	0.9
97.02959	1.3
99.00898	4.6
99.56918	0.5
101.02450	32.7
111.54720	0.6
113.02454	14.0
119.03517	2.9
125.02415	0.8
125.36867	0.6
129.01982	1.0
131.03508	11.1
143.03496	1.6
159.03032	1.6
161.04561	6.6
172.80647	0.6
179.05620	1.6
375.70654	0.5
397.27762	2.8
480.37354	0.6
529.31641	3.0
537.36658	0.6
555.37000	6.5
587.35870	1.9
599.35901	2.5
617.36981	12.5
618.37036	2.1
632.59253	0.6
717.42261	4.3
718.42322	1.4
732.14545	0.6
761.40973	1.3
779.42273	100.0
780.42584	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	839.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44296	0.7
59.01385	27.5
61.98826	4.3
63.29837	0.7
65.60963	0.7
71.01385	35.2
71.56627	1.1
71.57010	0.9
72.99300	3.2
73.02958	7.4
78.44315	0.8
83.01392	7.8
85.02956	18.1
87.00877	1.7
89.02448	9.7
92.29832	0.8
93.03481	1.0
95.01397	3.5
96.96016	4.3
97.02943	0.9
99.00856	3.9
101.02453	29.6
111.00941	1.0
113.02460	14.1
116.92835	1.6
119.03493	2.4
125.02470	1.5
131.03500	8.0
133.02933	0.9
143.03552	1.1
159.02928	1.1
161.02502	0.9
161.04544	3.0
173.04475	1.1
179.05627	1.0
191.05640	2.9
200.16638	0.8
241.02303	0.8
327.21722	2.8
328.22287	1.0
397.27414	2.5
529.31592	1.6
555.36798	1.3
594.06598	0.8
599.36444	1.2
617.37164	1.4
717.42261	2.8
718.41235	1.0
749.44543	1.6
750.45361	2.2
751.45605	1.1
761.41113	1.8
762.40955	1.2
765.43964	1.3
779.42285	100.0
780.42560	20.6
839.41663	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	839.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
60.99313	17.0
61.98829	0.5
71.01382	0.5
87.00912	0.6
88.00400	1.5
88.98814	100.0
89.02454	5.3
89.99152	0.7
96.96020	1.1
119.46355	0.3
121.02922	0.3
135.80592	0.3
153.98039	0.4
167.80627	0.3
191.05647	1.8
236.45779	0.3
444.72836	0.3
647.38184	0.6
749.45020	0.8
760.92163	0.3
779.45544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.4
61.98825	7.7
68.10666	1.2
70.11240	1.4
71.01386	19.1
72.99309	4.4
73.02946	8.2
81.42056	1.4
83.01397	4.5
85.02958	14.5
86.00066	1.3
87.00856	3.0
89.02463	7.2
93.03489	2.0
95.01385	2.1
96.96021	8.8
99.00937	1.4
99.04534	1.8
101.02460	16.9
103.04018	1.7
106.32903	1.2
107.82625	1.2
111.00832	1.5
113.02504	4.6
114.46771	1.3
119.03455	1.7
125.02439	2.2
131.03513	16.3
133.01469	2.2
135.04524	3.5
151.03917	1.8
165.05531	1.5
166.02643	1.5
173.04503	1.9
179.03502	1.6
191.05615	7.7
258.21741	1.4
329.14099	2.2
471.34647	3.7
615.01990	2.1
649.37329	2.1
717.42230	14.7
718.42590	5.0
761.87988	1.4
779.42346	100.0
780.42883	19.7
839.41254	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	839.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
60.99314	19.2
61.98834	0.7
71.55552	0.4
82.00404	0.3
87.00887	0.9
88.00412	1.9
88.26343	0.3
88.98814	100.0
89.02449	8.1
89.99129	0.7
96.96036	0.6
164.47726	0.3
166.75330	0.4
212.63181	0.3
269.24930	0.3
426.29599	0.3
491.50861	0.3
611.55798	0.3
721.70618	0.4
749.44818	1.3
750.45996	0.4
779.42126	0.4
809.43060	0.4
854.00110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	64.4
61.98846	8.1
65.38580	1.6
67.01888	2.5
67.21275	1.6
67.90150	1.9
69.03471	4.2
71.01389	98.7
71.55808	1.9
72.04150	1.7
72.99317	5.1
73.02954	29.3
75.00869	2.6
83.01394	14.8
85.02959	47.2
87.00877	7.0
89.02457	28.2
93.03449	9.2
95.01408	6.7
96.96047	9.7
97.02975	3.5
99.00906	11.4
101.02454	63.0
109.02866	1.8
111.00893	11.0
113.02451	34.4
114.02822	2.1
115.03988	1.8
115.15239	1.8
116.43658	1.7
123.00882	1.9
125.02453	7.7
129.01932	2.3
131.03506	16.1
132.03806	2.0
133.02951	4.0
135.04533	6.1
137.02412	2.6
143.03520	4.8
149.04546	5.2
149.06184	2.1
155.03526	1.9
159.03020	4.4
161.02446	7.2
161.04550	29.8
165.01888	2.4
173.04561	15.6
179.03387	2.1
191.03984	2.6
191.05617	18.2
223.13469	2.0
251.01292	1.6
352.35205	1.9
359.72937	1.9
441.17545	4.7
441.30057	3.2
442.18124	2.5
464.72400	2.0
517.40973	2.1
585.34363	5.3
617.35596	5.2
647.34485	46.4
648.34711	8.1
691.33069	26.7
692.33960	5.4
717.38977	2.9
779.38574	100.0
780.39105	24.9
811.12958	1.8
839.41992	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	839.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	82.3
61.98820	5.1
67.01871	1.3
69.03471	1.9
69.39307	4.1
69.39725	7.2
71.01385	100.0
72.01734	2.2
72.99310	6.8
73.02950	16.7
83.01382	11.3
85.02958	31.2
87.00876	6.0
89.02448	66.4
95.01373	6.2
96.95983	3.6
97.02966	3.3
99.00910	7.8
101.02451	54.0
109.03014	1.4
110.09541	1.3
110.87049	1.3
111.00890	6.5
113.02457	29.7
119.03504	17.3
125.02447	4.6
131.03517	12.3
143.03497	5.7
149.04572	3.3
154.54747	1.2
159.03065	2.7
161.04564	17.5
165.05499	1.8
173.04555	1.6
179.05647	16.0
191.05577	5.2
196.07402	1.8
204.36871	1.3
233.06610	1.7
296.79553	1.4
315.47861	1.4
423.27551	1.2
423.34769	1.3
569.24060	4.4
647.24268	2.7
647.34424	41.0
648.34735	8.9
664.38782	1.5
691.33344	12.3
692.33978	3.1
779.38574	79.4
780.38824	20.5
839.40448	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	839.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98835	0.5
72.24239	0.3
73.02959	2.0
78.95911	0.4
96.96033	0.7
96.96637	0.2
99.00902	0.6
99.92599	11.5
100.92601	0.4
114.93431	0.5
114.96288	0.3
116.92876	100.0
116.97270	2.4
117.01955	4.2
117.92885	5.0
143.85004	0.2
147.54355	0.3
191.05598	0.3
209.11891	0.3
249.14975	0.4
277.21704	1.4
278.22171	0.4
279.23209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.3
61.98837	39.1
69.71022	5.1
71.01388	7.7
72.99329	1.8
73.02950	1.6
73.85921	0.8
85.02959	4.1
87.00896	1.0
89.02454	6.3
93.03472	4.4
94.07791	0.8
96.96017	4.2
101.02473	3.9
106.77862	0.8
108.92192	0.9
109.02943	1.4
111.04563	1.0
113.02442	3.2
119.03511	2.1
121.02976	3.1
122.03748	7.5
123.04505	0.9
124.01673	0.9
125.02456	0.8
133.02974	3.2
134.03799	1.4
135.04544	5.5
136.01659	1.0
137.02464	2.3
143.93010	0.8
149.02446	13.1
150.03241	64.1
151.03786	1.9
161.02481	1.0
164.04814	2.8
165.05582	73.8
166.05852	3.0
173.04546	2.4
179.03491	2.7
179.05597	1.7
180.04277	5.3
181.05078	11.3
182.05853	2.0
191.05646	8.7
192.05814	1.1
194.05806	1.1
195.06639	100.0
196.07326	10.3
197.08165	5.7
203.07301	0.8
209.08223	7.3
211.09772	17.3
353.08463	1.7
358.42719	0.8
405.15323	4.7
421.18585	5.7
569.23773	13.4
570.24042	1.9
610.63190	0.9
617.26117	7.9
618.26410	1.2
839.42041	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	839.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	35.3
61.98837	39.1
69.71022	5.1
71.01388	7.7
72.99329	1.8
73.02950	1.6
73.85921	0.8
85.02959	4.1
87.00896	1.0
89.02454	6.3
93.03472	4.4
94.07791	0.8
96.96017	4.2
101.02473	3.9
106.77862	0.8
108.92192	0.9
109.02943	1.4
111.04563	1.0
113.02442	3.2
119.03511	2.1
121.02976	3.1
122.03748	7.5
123.04505	0.9
124.01673	0.9
125.02456	0.8
133.02974	3.2
134.03799	1.4
135.04544	5.5
136.01659	1.0
137.02464	2.3
143.93010	0.8
149.02446	13.1
150.03241	64.1
151.03786	1.9
161.02481	1.0
164.04814	2.8
165.05582	73.8
166.05852	3.0
173.04546	2.4
179.03491	2.7
179.05597	1.7
180.04277	5.3
181.05078	11.3
182.05853	2.0
191.05646	8.7
192.05814	1.1
194.05806	1.1
195.06639	100.0
196.07326	10.3
197.08165	5.7
203.07301	0.8
209.08223	7.3
211.09772	17.3
353.08463	1.7
358.42719	0.8
405.15323	4.7
421.18585	5.7
569.23773	13.4
570.24042	1.9
610.63190	0.9
617.26117	7.9
618.26410	1.2
839.42041	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	837.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	19.1
61.98833	88.0
71.55487	17.0
73.64172	16.5
75.95717	18.5
78.95929	23.4
90.60697	18.6
113.43722	20.8
128.72397	20.6
135.60005	19.1
207.48521	21.8
235.08292	46.7
253.09271	39.9
255.23238	100.0
327.21790	83.6
340.01227	22.2
491.32333	27.1
503.31049	21.5
545.29315	26.0
685.35559	21.3
793.52124	23.8
837.51740	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.9
59.90220	2.7
61.98802	3.7
69.03448	2.8
70.10530	11.9
71.01389	17.0
71.01729	2.4
72.99291	2.6
78.91898	3.1
78.95899	6.7
79.95734	6.5
83.05026	3.5
85.02979	5.0
87.00879	4.3
89.02460	9.3
96.96024	95.6
97.06570	4.4
97.96025	2.8
98.95618	4.8
99.92594	4.1
101.02444	12.1
111.04549	2.7
111.08182	13.1
113.02432	4.9
113.06075	3.9
125.09721	10.0
125.74487	2.9
129.01955	3.0
137.09644	2.5
161.04614	4.6
164.03447	2.5
165.12953	3.8
168.82880	2.6
171.10246	7.6
185.11798	10.7
191.05594	3.4
191.14441	5.4
195.13855	16.7
197.11821	34.0
201.11340	22.2
209.11877	23.2
211.13449	9.4
223.13332	7.5
227.13007	4.4
235.08229	4.4
245.19052	10.2
253.09270	27.8
255.23183	7.2
263.20148	3.1
265.14465	4.0
275.20111	9.0
277.21762	22.9
289.18182	29.6
290.18332	4.9
291.19678	77.7
292.19992	9.1
293.21265	100.0
294.21582	9.1
305.17938	3.0
307.19281	26.6
308.19449	4.0
309.20767	28.5
310.21173	6.8
341.19882	3.0
379.45804	2.8
397.13495	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	836.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98539	0.1
77.89239	0.1
78.10671	0.1
78.95928	0.1
79.95747	0.2
80.96536	0.5
162.94852	0.1
182.39497	0.1
198.91275	0.1
200.59123	0.1
277.21756	0.2
278.22241	0.2
299.59869	0.1
325.93137	0.1
529.57288	0.1
837.47980	1.0
841.20532	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	835.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.0
61.98805	1.7
69.38922	10.0
71.01373	11.7
73.02957	3.3
77.92060	1.4
79.81737	1.4
79.91688	1.3
83.01370	1.9
85.02959	7.7
87.00888	2.2
88.02000	1.7
89.02444	7.7
93.03461	4.9
96.96037	3.9
101.02455	6.6
113.02435	3.2
116.92818	2.8
121.06606	2.5
125.02466	1.6
131.03539	1.4
135.04541	4.8
136.05310	42.1
137.02467	2.0
137.05775	2.5
148.05321	4.4
149.06073	11.8
150.03233	3.8
150.06848	5.2
151.00351	3.8
161.04634	2.2
162.06853	2.6
163.07655	8.6
164.08490	2.8
165.05588	2.3
165.09230	28.7
173.04526	4.2
179.10744	2.0
191.05624	23.3
195.06602	3.3
207.04887	1.7
251.94476	1.8
289.24710	1.7
297.37009	1.6
313.11047	1.8
315.21704	2.6
323.86536	1.8
345.22714	2.7
363.36826	1.7
372.53833	1.7
373.22147	4.4
378.42917	1.5
415.23569	5.7
435.31158	2.4
464.31552	2.6
465.32315	18.2
466.33279	2.1
481.31842	7.6
485.75638	1.7
509.30319	2.0
510.31628	4.5
511.32053	10.5
512.64520	1.7
643.37054	2.0
673.38953	7.1
835.43335	100.0
836.43500	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	835.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01384	23.3
61.98841	2.6
67.34094	0.4
67.98251	0.5
69.03413	0.5
69.80846	0.4
71.01389	33.4
71.03615	0.7
71.03972	1.1
72.01709	0.5
72.99310	1.6
73.02954	14.0
75.00893	0.6
76.22588	0.4
80.96554	0.5
83.01404	4.8
85.02959	21.4
86.00098	1.0
86.03298	0.6
87.00877	3.0
87.04492	0.7
89.02447	5.0
94.35675	0.6
95.01390	2.4
97.02977	1.2
98.45654	0.5
99.00887	4.8
101.02456	21.5
102.02869	0.6
103.04002	1.6
111.00930	0.8
113.02460	13.1
113.72313	0.5
115.04063	0.7
119.03496	1.0
125.02454	1.0
131.03520	1.7
143.03506	2.2
145.04984	0.5
159.03004	2.9
161.04573	6.3
163.06119	0.9
268.00156	0.5
329.24677	3.0
407.29443	0.8
423.32681	4.4
424.32837	0.6
455.35797	1.1
468.84204	0.6
629.37054	5.1
630.36578	0.9
731.43866	1.7
733.45544	1.4
775.42798	100.0
776.43121	27.7
776.58008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
69.90961	2.4
71.01376	2.2
85.02962	1.8
93.03390	0.9
99.82492	0.8
111.04512	1.1
114.50248	0.7
121.06607	2.4
122.03756	1.5
123.08167	1.5
135.04533	2.8
136.05316	42.7
137.05688	1.7
139.20766	0.8
147.08134	0.9
148.05286	3.8
149.06094	11.7
150.06906	5.1
162.06862	2.3
163.07704	5.1
164.08440	4.2
165.09222	36.4
167.10750	0.8
191.05638	2.6
333.19800	1.0
345.22845	7.3
447.31152	1.1
464.31601	4.4
465.32138	22.6
466.32382	1.7
492.30688	2.5
493.31729	3.2
510.31583	5.0
511.32712	27.8
512.33057	3.1
655.36682	1.3
673.37878	11.9
674.38391	2.0
835.43402	100.0
836.43719	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	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.6
59.01385	9.3
61.98829	0.4
67.01914	0.2
69.03458	0.7
71.01388	7.9
71.04422	0.5
72.01758	0.2
72.99302	0.6
73.02953	1.3
73.21980	0.2
75.00872	0.5
80.02673	1.4
81.03466	1.6
83.01393	0.9
83.05030	5.4
84.02180	0.8
85.02960	1.9
87.00889	2.1
89.02449	7.2
93.03460	0.5
93.74503	0.2
95.01385	0.7
95.05034	0.9
96.96001	0.4
97.02930	1.1
97.06578	0.5
97.95613	0.2
99.00108	0.2
99.00890	0.6
101.02457	6.2
109.06593	0.5
111.00872	0.3
111.08169	0.3
113.02457	4.0
119.03503	1.9
125.02460	2.7
125.06099	0.5
125.09709	0.4
131.03473	0.6
133.05054	0.3
135.08177	0.7
137.02461	0.2
141.01959	0.3
143.03552	1.3
149.04572	0.2
161.04607	1.4
163.11295	4.5
164.11606	0.3
165.12868	2.7
171.10255	1.1
173.04597	0.2
179.03340	0.2
179.05640	2.3
181.12366	0.8
185.04488	0.3
191.05643	0.6
191.10849	1.4
209.11838	100.0
210.12181	6.5
217.07213	0.3
220.34221	0.2
221.06680	0.8
221.08643	0.2
227.12897	15.0
228.13229	0.8
235.08202	2.3
245.06664	0.2
247.13396	0.8
251.12895	0.3
253.09326	0.8
259.08224	0.2
263.07806	0.3
265.14468	0.4
265.25085	0.2
287.07675	0.9
290.78513	0.2
305.08835	0.9
323.09933	0.6
379.12482	2.6
397.13522	18.2
398.13904	2.0
401.23105	0.3
413.17926	0.2
415.14584	5.6
416.14746	0.5
563.27972	0.2
589.24414	0.4
607.26111	0.8
608.26202	0.2
618.05090	0.2
723.39752	0.2
799.38300	0.4
805.31354	0.3
817.38452	0.3
835.39893	0.9
836.41528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.5
61.89845	0.3
61.98838	1.5
63.00184	0.3
70.83851	0.4
70.84202	0.7
71.01385	0.9
80.96535	0.5
87.00894	0.3
89.02438	0.9
101.02441	1.1
103.96957	0.3
113.02434	0.8
125.41535	0.3
145.05063	0.3
155.15416	0.3
161.04633	0.5
235.08177	2.0
253.09273	4.6
277.21725	100.0
278.22073	8.3
305.03802	0.3
513.30920	0.7
579.60522	0.4
833.49622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98835	100.0
66.59861	0.2
66.61017	0.2
71.01404	0.2
71.55348	0.3
78.95912	1.6
80.96540	0.4
96.96020	1.5
99.70798	0.2
107.36506	0.2
152.99594	0.5
166.16652	0.2
191.05652	0.7
241.01187	0.4
255.23265	0.4
279.23227	0.3
280.23639	0.3
302.05878	0.2
303.45752	0.2
329.23578	0.3
381.15363	0.2
834.52631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
62.63925	0.9
67.17493	1.2
69.74850	2.1
69.75227	2.5
71.01387	2.5
85.02957	2.3
87.00890	1.2
89.02468	1.2
89.27982	1.0
98.19907	1.8
99.04491	1.2
113.02435	1.5
120.72419	0.9
149.06094	4.4
150.06879	46.0
162.06902	5.9
163.07657	17.8
164.08357	3.7
173.04588	1.1
176.08415	2.4
177.09152	3.4
178.10020	2.8
179.10806	10.9
191.05580	2.4
265.21667	1.2
269.47043	1.0
327.25516	2.5
329.23401	6.1
349.13080	1.0
410.42767	1.0
446.33978	1.2
448.32086	9.5
462.33450	7.6
463.34308	17.8
464.34299	2.2
489.32217	1.8
490.32718	5.2
491.33704	3.3
507.33368	1.7
508.34177	9.4
509.34790	26.1
510.35272	2.9
653.39258	1.9
671.40320	10.9
672.40717	3.1
833.45508	100.0
834.45782	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	833.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29210	1.9
59.01376	13.6
59.15571	1.6
61.16100	1.9
61.98852	8.3
68.01353	1.6
71.01384	11.6
71.56943	1.9
72.99323	2.2
73.02956	3.8
75.00861	2.1
75.65361	1.6
81.99132	1.7
83.05042	2.7
84.98899	2.0
85.02972	5.7
87.00885	3.6
88.67454	1.6
89.02470	7.1
93.03480	3.3
96.60356	1.7
96.96026	13.1
97.02929	2.1
99.00916	2.2
101.02464	9.4
109.06618	4.1
109.50923	1.8
110.39152	1.8
113.02473	4.8
125.02475	3.2
135.04591	3.5
135.08057	1.9
137.06116	2.4
149.06100	2.1
150.06891	38.1
151.07480	1.7
161.04631	1.8
162.06880	7.1
163.07645	17.0
163.11302	2.3
164.08398	4.1
173.04532	2.9
176.08492	3.2
177.09161	3.9
178.10030	3.5
179.10822	10.3
191.05620	7.0
207.10335	9.7
209.11891	16.3
225.11366	8.0
255.23792	1.7
299.22333	2.3
329.23404	3.0
397.13354	2.3
415.14746	2.2
433.33008	3.0
462.33545	6.3
463.34320	19.8
478.32910	3.1
479.33807	6.5
507.33160	2.6
508.34113	6.4
509.34918	13.0
623.25928	2.2
671.40161	8.8
755.42841	3.7
833.45728	100.0
834.46185	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	833.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.1
61.98839	7.6
65.73872	1.3
71.01385	14.3
71.05024	2.7
72.99311	1.8
73.02950	3.7
78.95895	2.0
85.02960	10.8
85.05738	1.7
87.00879	4.9
88.98837	1.6
89.02441	9.7
92.78661	1.3
93.03489	4.9
93.16645	1.5
96.05375	1.5
96.96014	8.5
99.04533	2.3
101.02464	11.1
111.04504	1.7
113.02467	4.5
116.92846	2.7
119.03515	1.3
135.04556	3.7
137.06067	2.2
149.06104	4.8
150.03172	2.4
150.06874	49.3
151.04057	1.7
151.07346	2.5
155.10747	1.9
161.02469	1.7
161.09763	2.6
162.06885	7.3
163.07661	25.5
164.08432	4.7
173.04562	5.2
174.58762	1.6
176.08485	3.7
177.01958	2.1
177.09135	3.9
178.09999	3.5
179.03500	1.9
179.10788	15.0
181.36064	1.5
191.05612	15.1
195.06468	2.3
209.11839	3.4
213.45789	1.6
229.36812	1.7
253.25377	1.5
264.51068	1.3
264.85931	1.4
267.07135	1.2
327.25555	1.7
329.23395	4.6
337.73477	1.4
339.43344	1.6
354.10388	1.3
369.28436	1.5
396.56427	1.6
448.32028	5.3
449.32410	2.7
462.33545	6.0
463.34344	16.5
464.34448	3.1
490.32837	9.4
491.33844	7.4
492.34418	1.6
508.34390	11.8
509.34814	20.6
510.35529	2.8
634.58838	1.5
671.40375	12.3
727.01123	1.5
795.42291	5.2
797.42609	4.2
833.45544	100.0
834.45905	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	833.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52867	0.8
59.01378	2.7
69.20806	10.9
71.01404	2.7
78.34585	1.0
85.02950	2.3
87.00880	1.7
89.02489	1.0
93.03491	2.5
97.06584	1.9
111.04464	0.9
113.02481	1.4
116.38059	0.9
121.06600	1.6
122.03761	1.2
123.08130	2.1
135.04546	1.9
136.05309	25.6
141.09239	1.1
148.05289	2.6
149.06129	5.6
150.06885	9.9
151.07556	1.2
162.06880	2.1
163.07672	5.7
164.08398	4.0
165.09221	19.6
166.09416	1.4
170.77745	1.2
173.04532	3.7
179.10887	5.0
191.05652	4.8
222.23392	1.0
229.10875	1.9
238.13402	1.1
321.20752	2.8
329.19699	2.0
331.08118	1.1
343.21292	4.1
348.91522	1.1
350.20944	2.9
353.08875	1.4
427.28577	2.4
445.29434	4.4
462.30045	2.3
463.30508	8.7
464.30966	1.2
490.29568	1.5
491.29361	2.6
508.30215	5.2
509.31079	23.9
510.31384	3.7
653.35358	1.6
671.36615	11.8
672.37451	1.6
753.19531	1.2
833.41833	100.0
834.42120	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	833.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.5
61.98847	4.1
61.99092	0.8
63.34669	0.8
69.03452	1.8
69.42188	5.8
69.42596	2.0
71.01027	1.3
71.01391	24.0
71.05000	1.1
71.46209	0.8
72.99283	3.1
73.02938	3.6
73.54208	0.9
80.02659	3.0
81.03478	6.2
82.36879	0.9
82.95396	1.2
83.01357	3.3
83.05031	9.8
84.02146	1.5
85.02543	0.8
85.02969	6.5
87.00878	6.9
89.02458	19.3
93.03455	3.2
95.01385	1.3
95.05002	2.4
96.96016	8.6
97.02958	10.9
97.06574	2.0
99.00861	2.9
101.02454	17.9
104.08920	0.8
104.69485	0.8
107.05052	1.8
109.06609	27.2
110.03700	1.5
110.06895	1.1
111.04505	2.5
113.02445	8.1
119.03503	6.2
121.02888	1.0
121.06557	2.6
123.08103	1.1
124.01591	2.1
125.02457	6.3
125.09697	3.4
126.90337	1.5
131.03462	1.7
135.08179	4.7
136.05281	2.8
139.03979	2.3
142.02676	2.8
143.03435	2.3
149.06108	1.3
161.04521	3.6
161.09708	1.4
162.06819	1.0
162.35202	0.9
163.11310	23.0
164.11571	1.1
165.12791	3.4
165.13992	0.8
167.03394	1.0
171.10214	3.9
179.05629	5.4
179.10646	1.1
181.12306	4.9
185.11795	2.0
189.09132	2.0
191.05519	2.1
191.10713	1.3
193.01373	1.2
201.11378	1.0
207.10277	80.7
208.10556	4.1
209.11841	100.0
210.12189	5.8
217.12241	1.8
221.06563	2.6
225.11343	37.6
226.11588	2.5
227.12907	14.9
228.13153	1.2
231.10129	1.0
235.08270	4.2
235.13260	1.3
243.12291	2.0
247.13329	1.1
249.11472	1.4
251.12900	1.2
253.09352	1.8
263.12811	2.1
287.07581	1.3
305.08780	1.0
331.08182	3.3
371.15002	0.8
379.12238	2.2
395.28754	1.0
397.13568	27.1
398.13751	2.7
399.21628	3.6
415.14557	8.9
417.22928	5.7
435.23557	1.4
605.24335	4.0
623.25647	8.8
787.36871	1.2
789.32782	1.0
797.35950	13.5
798.35919	2.8
815.22375	1.6
815.37048	18.4
816.37189	2.6
833.38184	36.1
834.38446	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	831.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.2
59.01114	2.0
59.01387	24.3
60.66208	1.6
61.98835	29.2
69.80190	8.1
71.01395	8.3
72.99309	3.0
73.02950	4.1
78.91885	7.1
80.91688	62.2
83.01431	1.7
85.02953	9.0
89.02460	2.6
95.01447	1.5
96.95991	3.1
98.19930	1.7
101.02461	9.1
103.04023	1.9
131.03476	4.5
162.06850	6.6
177.09201	3.0
316.74747	1.5
427.88779	1.7
453.33762	3.8
593.35126	2.1
749.44800	40.9
750.45135	12.0
771.42126	3.7
831.45215	100.0
832.45502	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	16.0
61.98832	4.8
63.91103	1.6
70.42086	2.1
70.42435	5.3
71.01396	10.5
73.02952	6.6
73.67957	1.5
76.34741	1.5
78.95897	1.7
83.01411	2.5
84.65529	1.7
85.02942	8.5
87.00907	2.3
89.02445	5.0
93.03469	4.9
96.96024	7.2
97.06602	2.1
100.56789	1.7
101.02442	9.4
108.02169	1.8
111.95702	1.6
113.02474	4.4
119.03522	2.4
125.02414	2.2
135.04584	2.3
137.06123	2.2
149.06081	3.7
150.06882	54.7
152.01135	3.0
161.04556	2.2
162.06889	5.2
163.07639	24.8
164.08463	17.5
167.03468	9.8
173.04634	3.6
177.09238	3.7
179.10783	30.5
180.11229	2.5
185.11839	5.8
191.05573	15.5
221.11890	2.7
293.79178	1.9
327.21756	23.9
489.32336	7.6
506.32559	24.6
507.33188	43.8
508.33664	5.9
521.34766	4.4
635.71509	1.7
651.37579	2.3
669.38690	32.5
670.38934	6.5
831.43951	100.0
832.44153	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	831.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
69.23678	4.0
71.01392	2.6
73.02950	0.7
85.02962	2.6
85.03403	0.5
87.00870	1.3
89.02451	1.0
96.95975	0.4
98.03339	0.5
99.04499	0.6
101.02442	1.3
111.04518	0.6
111.08165	0.8
113.02438	0.8
113.06106	0.6
119.03446	0.5
125.02605	0.5
135.08188	1.4
136.05336	1.0
148.03333	0.5
149.06082	4.9
150.06874	52.1
151.07288	2.4
153.09248	1.5
155.10774	1.3
157.08696	1.8
162.06866	6.4
163.07663	23.2
164.08438	7.4
169.12314	1.1
171.10263	1.0
176.08441	3.1
177.09227	2.9
178.10023	4.0
179.10789	14.1
180.11035	0.9
189.09192	0.6
191.05658	0.6
193.08598	0.5
200.47307	0.5
263.20169	1.4
279.23254	1.6
281.21204	1.8
283.19150	1.2
323.54755	0.5
325.23880	2.3
327.21777	6.8
328.22241	0.5
415.28558	0.8
428.29517	1.2
444.32159	1.2
445.33325	0.7
446.30328	10.0
447.30466	1.2
460.31982	9.7
461.32739	20.5
462.33057	2.1
487.30917	1.1
488.31366	5.8
489.32114	3.0
505.31714	1.4
506.32495	10.5
507.33246	28.9
508.33701	4.8
536.27356	0.7
651.37543	2.0
669.38562	13.3
670.38818	2.4
687.33167	0.5
831.43866	100.0
832.44257	23.4
847.04205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	1.6
59.01380	17.9
61.98832	13.8
71.01389	15.3
73.02948	6.2
75.00882	3.6
80.91714	3.2
83.01378	3.0
83.05039	1.7
85.02955	13.8
87.00912	2.6
89.02445	5.5
92.54046	1.3
95.01340	2.0
96.96017	3.8
99.00849	2.1
101.02453	11.2
112.39646	1.2
113.02444	6.6
124.64328	1.3
125.02451	2.5
131.03566	2.3
133.02948	1.3
161.04517	2.1
162.06847	2.5
179.03569	1.7
191.05507	2.1
209.11816	3.0
230.45387	1.4
275.97153	1.7
327.21881	3.2
425.53937	1.7
447.34750	8.3
469.33066	4.3
487.34430	7.9
649.39294	4.0
749.44385	8.8
750.45251	6.1
793.43481	7.3
795.45343	92.2
796.45453	17.7
831.43164	100.0
832.43433	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	829.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	0.9
61.17661	0.3
63.32288	0.3
67.10467	0.3
71.01385	8.1
72.99353	0.4
73.02953	2.0
83.01386	0.6
85.02954	3.7
85.03405	0.4
89.02444	3.2
91.70643	0.3
93.03474	0.4
95.01402	0.4
96.96027	0.8
98.19898	1.1
99.00900	1.0
99.45090	0.4
101.02458	5.1
103.80247	0.3
112.16717	0.3
113.02469	2.6
119.03537	1.1
119.05592	0.3
125.02473	0.6
137.02496	0.3
143.03517	0.5
159.03040	0.3
161.04536	2.7
179.05612	0.5
182.23196	0.3
191.05711	1.1
202.82672	0.3
229.56955	0.4
286.63080	0.4
295.59207	0.3
302.35748	0.3
321.68277	0.3
373.22293	5.2
374.22705	0.6
398.98615	0.3
403.65921	0.3
415.23373	4.8
416.23630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.3
61.98841	10.9
62.61781	1.6
66.91051	2.0
70.10127	3.1
70.10525	3.6
71.01053	1.7
71.01393	15.2
73.02936	4.6
75.00895	1.4
78.95879	4.4
80.51112	1.7
83.01379	2.3
85.02967	9.5
87.00879	3.4
89.02433	4.3
96.95959	2.1
96.96989	1.9
99.86487	1.4
101.02442	10.2
103.04001	1.9
113.02435	5.1
125.02447	1.7
131.03482	2.5
133.51355	1.5
145.38611	1.9
148.81569	1.7
277.21671	2.5
313.20932	1.7
316.65411	1.9
469.33545	4.1
487.34293	6.8
631.37592	1.9
649.39429	5.5
795.45441	100.0
796.45868	23.9
831.42993	83.0
832.43127	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	829.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
61.98833	19.7
68.99816	0.9
71.01392	7.4
72.99326	2.3
73.02954	1.1
75.00879	36.7
80.80836	0.8
83.01352	2.0
85.02957	20.1
87.00896	1.7
89.02451	1.1
93.30321	0.9
95.01408	2.1
99.00912	2.2
101.02456	1.7
113.02443	7.3
115.00317	1.5
123.16789	0.9
129.01956	1.1
149.06107	0.9
155.10344	0.9
157.01482	1.2
198.46103	0.9
387.03342	0.9
392.43549	1.0
455.35294	5.2
569.38580	9.4
587.39972	1.2
613.36914	1.3
631.38226	8.1
632.38647	1.3
793.43805	100.0
794.44159	24.9
829.42572	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	829.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
61.98835	25.6
71.01393	15.3
73.02947	4.2
74.59971	1.4
75.00875	4.7
85.02956	7.7
89.02471	2.0
91.48279	1.8
98.20757	3.0
101.02439	7.6
104.42405	1.7
113.02434	5.2
139.33713	1.7
149.06020	2.0
176.73763	1.8
182.29745	1.7
229.70064	2.6
253.15794	1.6
256.46326	1.7
280.06430	1.7
311.46768	1.8
600.20239	1.7
606.79950	1.6
731.42963	1.9
749.44574	5.3
750.45197	4.5
793.43817	23.3
794.43927	5.5
829.41541	100.0
830.41937	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.8
61.98834	16.0
69.50938	2.1
69.51342	9.3
69.61897	1.6
71.01393	13.9
73.02930	2.7
76.44351	1.5
83.01351	3.3
85.02958	7.1
87.00893	1.9
88.83067	1.6
89.02452	8.5
96.96002	6.4
101.02453	10.0
102.02774	1.8
113.02461	7.1
119.03487	2.0
123.44078	1.3
131.03471	1.8
137.02434	1.6
152.03496	1.7
154.09550	1.8
155.62080	1.5
166.02756	3.7
181.05092	5.4
187.11200	1.8
203.41249	1.8
207.10217	3.2
209.11832	3.1
249.75394	1.6
417.15540	2.7
499.66211	1.9
585.37683	2.1
647.37640	2.1
649.38074	2.2
665.15576	1.6
680.44403	1.5
749.44629	9.7
793.44409	12.8
794.42609	2.6
829.41931	100.0
830.42181	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	829.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.9
66.36639	0.8
67.01891	4.3
69.03446	1.2
69.93855	3.6
71.01384	4.1
76.72863	0.8
81.03454	1.8
85.02959	7.3
87.00906	2.0
89.02448	1.8
93.03464	23.5
93.57533	0.7
94.03796	0.9
95.05030	1.2
96.96021	1.9
105.74719	0.7
107.05026	1.3
109.02954	6.8
109.06605	2.6
111.04510	4.9
117.03468	0.8
119.05035	4.4
121.02959	4.8
127.04039	1.9
129.01903	0.8
133.02971	1.9
134.03748	3.9
135.04538	64.8
136.04877	1.7
137.02461	4.9
137.06090	24.9
155.03528	4.2
159.22769	0.8
161.02470	3.4
163.03955	1.4
173.04553	76.1
174.04868	3.7
179.03506	47.9
180.03761	1.7
181.05074	71.1
182.05370	2.6
191.05621	46.3
192.05975	2.1
193.05095	0.8
207.05074	6.2
213.00319	0.8
293.08768	2.0
297.68161	0.9
353.08789	56.0
354.08978	5.0
475.14566	100.0
476.14865	8.7
545.09338	0.8
830.21307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.13245	0.1
61.98833	100.0
62.98525	0.1
69.03468	0.1
71.01392	0.9
73.02946	0.3
75.00878	0.3
78.63699	0.1
78.95924	0.1
83.01420	0.1
85.02964	0.6
89.02499	0.1
96.96021	1.9
96.96968	0.1
99.00916	0.2
101.02454	0.4
113.02462	0.2
131.03593	0.2
411.14682	0.1
439.83072	0.1
667.35504	0.5
703.44830	0.3
767.47717	0.3
768.49200	1.4
793.43677	1.0
828.40967	0.5
829.40460	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	829.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.4
64.30628	1.1
67.01883	3.1
69.55766	3.6
69.56200	3.2
71.01380	5.2
81.03468	1.7
83.04984	1.2
85.02955	6.2
87.00879	2.7
89.02453	1.4
93.02872	1.7
93.03460	28.5
96.96004	2.0
99.00903	1.2
101.02470	1.4
107.05032	1.3
109.02963	6.3
109.06577	3.6
111.04540	5.1
119.05011	3.3
121.02966	4.4
125.02417	1.1
127.04005	2.4
133.02974	2.1
134.03745	2.8
135.04536	67.8
136.04861	3.5
137.02444	4.4
137.05119	2.0
137.06093	22.0
143.03508	1.0
149.02446	1.0
155.03481	4.5
161.02414	3.0
163.03976	1.6
164.08363	1.5
173.04558	77.6
174.04875	3.4
179.03508	51.2
180.03818	1.8
181.05074	71.9
182.05367	2.5
191.05632	44.5
191.67746	1.0
192.06015	1.9
193.05045	1.3
207.05116	9.0
223.05995	1.9
293.08621	2.0
310.49725	1.2
353.08768	56.9
354.09061	4.2
423.89478	1.1
475.14612	100.0
476.14972	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	828.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	0.2
59.01389	1.4
61.98834	100.0
62.98539	0.3
63.99264	0.4
65.24464	0.1
71.01388	1.9
72.01731	0.2
73.02948	0.7
78.95918	0.3
83.01392	0.4
85.02953	1.2
87.00909	0.2
89.02441	0.3
91.65517	0.1
96.96015	2.4
97.02968	0.2
99.00885	0.2
101.02453	1.2
102.02867	0.1
109.06606	0.3
113.02460	0.7
125.02444	0.2
143.03571	0.2
150.16812	0.1
159.02986	0.1
161.04558	0.4
163.07616	0.2
173.04610	0.2
207.10255	0.7
209.11876	0.2
214.83458	0.1
223.13467	0.4
224.94196	0.2
225.11374	0.4
241.83948	0.1
265.80490	0.2
360.67642	0.1
366.15933	0.1
397.13617	0.3
476.02814	0.2
603.18689	0.1
605.39734	0.2
622.44257	0.3
624.42664	0.2
667.35748	0.9
749.45032	0.2
765.45514	0.3
767.49030	0.5
768.49860	4.3
769.50726	0.5
811.39252	0.3
828.42297	0.2
829.40198	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	827.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.7
59.01386	14.1
61.98836	100.0
69.03461	0.5
69.36583	0.4
70.33157	0.4
71.01389	19.7
72.99333	1.3
73.02956	6.8
74.87926	0.4
75.00878	0.9
83.01413	3.2
85.02961	12.3
86.00117	0.8
87.00906	1.3
87.04530	0.5
89.02450	2.8
93.03516	0.5
95.01408	1.9
96.96014	2.9
97.02929	0.6
99.00900	2.6
101.02448	12.3
101.35219	0.5
103.03992	1.0
113.02457	7.4
119.03472	0.7
125.02512	0.6
129.02055	0.5
131.03516	1.1
143.03532	1.0
159.03009	1.1
161.04579	2.8
163.06268	0.7
163.07619	4.3
209.11800	0.5
238.89606	0.5
317.66589	0.5
359.29575	0.5
604.38495	0.4
605.40112	2.1
621.43622	3.4
622.44092	0.6
623.41730	3.0
665.43262	1.0
765.45123	0.9
766.45563	2.0
767.49512	53.4
768.49817	12.6
827.40259	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	827.517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.3
59.01385	20.1
61.98838	58.7
69.03447	1.1
69.68787	2.7
69.69198	1.3
71.01392	30.5
72.99314	2.2
73.02959	10.7
73.55439	0.7
83.01401	5.8
85.02959	18.4
86.00117	1.1
86.55168	0.6
87.00886	3.1
89.02445	4.4
95.01381	2.9
96.96020	3.2
97.02958	1.6
99.00897	4.8
101.02457	21.6
103.03989	1.7
113.02466	13.2
115.03988	0.7
123.62943	0.6
125.02414	1.2
129.01991	1.1
131.03523	1.3
139.83310	0.6
142.00912	0.6
143.03526	1.9
159.03008	2.2
161.04568	5.1
184.04382	0.8
191.05627	0.8
518.69507	0.8
621.43842	7.2
622.44153	1.0
767.49512	100.0
768.49963	24.5
827.39288	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	827.445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	5.0
59.01386	85.1
60.01733	1.0
61.98831	1.8
71.01390	70.6
71.05030	7.0
71.55290	1.3
72.99316	6.6
73.02961	6.3
75.00864	2.0
76.13540	0.9
78.95921	1.7
83.01401	4.8
85.02962	18.5
87.00864	4.3
89.02454	63.1
93.03465	3.6
95.01387	5.0
96.96030	4.6
97.06586	1.2
97.90756	0.9
99.00890	2.8
101.02458	44.6
111.07699	0.9
111.58066	1.0
113.01726	1.8
113.02466	26.6
119.03518	26.8
125.02456	2.1
131.03513	3.3
133.02959	1.3
135.04506	2.1
137.02469	2.0
143.03590	4.3
143.04491	0.8
149.04558	2.4
150.03215	2.1
150.06841	1.2
151.00331	1.0
159.03046	1.2
161.02483	0.9
161.04559	9.0
163.07759	1.3
165.01860	1.0
165.05563	2.6
166.02716	1.1
173.04536	3.3
174.21059	0.8
177.02017	0.8
179.03777	1.6
179.05623	17.7
186.02022	0.9
191.05609	8.9
195.06691	1.8
218.04472	1.3
223.06133	1.4
229.01500	1.0
317.92099	1.0
324.97684	0.9
353.08914	1.4
432.14392	5.1
449.14642	1.2
531.33325	16.0
532.33923	1.8
544.27502	1.3
544.76624	1.1
603.39368	2.4
629.22528	3.1
647.38098	30.3
648.06879	0.9
648.38055	4.6
791.26331	1.1
809.29205	2.0
827.44379	100.0
828.44672	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	827.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98835	12.5
69.39648	0.9
70.67239	2.5
71.01392	4.2
72.99295	3.5
75.00878	22.7
83.01421	1.4
85.02956	16.4
87.00869	1.0
95.01408	3.2
96.96010	5.2
99.00806	1.0
106.05814	1.0
107.31935	1.1
112.01674	1.1
113.02461	9.2
115.00359	0.9
120.28838	1.1
157.01460	1.3
162.71783	1.1
163.07622	1.2
171.10036	1.1
209.11821	2.1
290.25797	1.1
326.00488	1.2
471.34900	1.8
525.35718	1.7
647.38037	100.0
648.38495	20.2
767.45813	3.2
848.61359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77060	0.7
59.01383	7.3
60.99305	0.8
61.98835	6.4
65.59633	0.7
67.01885	5.1
69.03470	1.3
71.01392	9.1
72.99319	0.9
73.02949	0.7
80.45481	0.8
81.03426	1.2
83.01379	1.3
83.05029	1.5
85.02953	4.1
87.00880	1.6
87.30390	0.8
89.02448	2.0
93.03468	36.0
94.03801	0.9
95.01422	0.8
96.95998	3.4
98.19913	2.7
99.04527	0.8
99.08163	1.1
101.02441	3.1
109.02943	1.4
111.00897	1.8
111.04534	8.0
113.02438	2.2
113.68630	0.7
117.92606	0.6
119.03519	0.7
125.02396	0.9
127.11307	0.8
129.01892	0.7
133.02980	1.4
135.04512	2.7
136.01651	0.7
137.02444	7.8
143.10785	1.7
143.86082	0.8
150.03218	1.6
155.03505	6.7
161.02432	0.9
165.05638	1.4
171.10298	5.1
173.04561	69.3
174.04912	1.8
179.03484	0.8
183.13867	1.0
191.05655	5.6
195.06667	1.0
209.08397	0.9
209.11847	2.0
211.13399	9.1
229.14447	18.3
229.73138	0.9
230.14716	0.9
247.84579	0.8
293.21292	1.8
311.22244	2.9
313.23773	1.8
320.33139	0.8
329.23349	13.9
330.23685	1.0
336.40732	0.7
391.19855	3.6
449.14484	1.5
491.28568	23.0
492.28839	2.8
502.62228	0.9
555.77130	0.8
603.25519	0.9
665.33917	100.0
666.34296	16.0
767.44904	1.6
827.40173	2.2
828.36542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98821	1.4
63.64808	0.5
71.01382	0.8
78.95903	0.5
85.02944	1.4
89.02436	0.7
93.03432	1.1
96.96052	2.2
98.20701	0.8
101.02475	1.0
105.84311	0.4
109.02938	1.6
113.02474	0.5
118.58810	0.4
123.00896	0.7
125.02454	0.7
125.14933	0.4
133.02924	0.5
137.02441	6.4
138.63516	0.6
149.02380	0.8
150.03259	0.8
151.00383	11.6
151.03992	1.8
152.01144	0.6
152.04745	0.9
154.46579	0.5
165.01910	1.2
166.02725	37.5
167.03470	3.5
173.04536	0.6
174.96805	0.4
175.03989	0.8
177.01932	2.2
179.03467	0.6
181.05077	58.9
182.05400	1.9
184.03751	0.6
187.97946	0.4
190.06316	1.2
191.04088	0.4
191.05626	3.1
192.04306	1.0
195.15933	0.4
205.04976	0.8
205.08804	0.7
207.06689	0.8
307.13858	0.6
359.11288	1.5
371.14877	0.8
373.21631	0.7
387.10837	7.6
388.11398	0.8
402.13177	8.7
403.13321	1.1
417.15546	100.0
418.15897	10.9
427.85498	0.5
561.19678	0.9
647.26959	0.5
653.47131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.493
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55299	31.1
78.95898	85.0
79.95751	19.1
80.45980	23.0
80.49435	20.8
80.96514	86.6
164.98627	32.9
170.25945	20.5
187.70062	19.7
196.89529	66.5
197.89575	26.4
253.09988	23.6
277.21750	58.2
293.21262	42.3
409.53113	22.4
436.26648	20.2
443.25241	22.8
449.11700	20.2
772.19733	27.7
825.45880	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	825.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95108	12.5
69.44431	100.0
69.44845	33.9
78.95914	41.1
80.96520	31.1
98.20715	31.3
103.00305	17.8
132.35947	13.8
173.36746	15.8
180.32368	16.9
196.89461	28.6
268.60861	15.9
272.02759	13.8
277.21613	23.1
293.21259	23.4
308.50766	14.8
651.48859	20.4
756.61676	19.1
825.44519	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69968	1.3
59.01386	50.5
59.01694	2.6
61.98819	5.0
62.17416	1.2
62.82251	1.6
66.02125	1.2
70.96173	1.2
71.01389	5.0
71.55515	1.1
83.01424	1.9
85.02961	4.8
89.02442	2.6
96.96016	4.4
101.02455	5.6
113.02450	3.7
116.90141	1.4
131.03535	3.3
145.74860	1.3
161.04636	1.5
164.06110	1.4
177.01906	1.5
191.05600	2.7
209.11794	1.4
213.73315	1.4
243.48615	1.3
347.61615	1.3
585.37958	4.4
603.39063	100.0
604.39545	19.5
642.65533	1.6
765.45099	11.6
766.44336	2.3
825.42596	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	825.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.3
60.01719	1.5
61.98838	20.8
65.71592	1.8
71.01385	21.3
72.99317	3.0
73.02942	4.8
75.00877	8.8
78.95913	2.0
83.01388	3.0
87.00913	1.8
88.98829	2.5
89.02465	9.5
91.27927	1.7
92.16639	1.7
95.01417	2.8
96.96019	7.7
101.02459	15.5
111.89419	1.4
113.02457	7.9
119.03444	1.8
131.03561	2.8
131.85143	1.5
161.04590	2.4
191.05621	3.7
201.11444	2.4
209.11763	3.2
253.09181	1.6
265.65668	1.4
270.58533	1.7
423.32764	6.3
471.34894	17.8
472.35193	2.5
585.38495	3.0
603.39063	25.9
604.39404	4.5
765.44379	100.0
766.44714	23.9
789.42603	2.0
825.41901	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	825.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.2
61.98828	3.6
71.01391	16.9
71.02672	2.8
73.02950	5.2
80.64333	1.2
81.74782	1.2
83.01389	4.2
85.46118	1.1
89.02450	4.2
96.96033	2.7
100.71257	1.2
101.02467	11.2
113.02469	5.2
114.79222	1.3
116.36739	1.2
121.16431	1.2
128.92465	1.1
131.03488	1.5
161.04515	2.1
190.34807	1.2
209.11874	1.4
471.34476	2.6
585.38000	2.5
603.39294	10.1
604.38916	2.2
765.44379	100.0
766.44714	25.3
825.39471	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	825.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.5
58.78208	0.9
59.01385	32.7
59.42718	0.8
61.98836	47.5
70.80377	1.6
70.80697	1.2
71.01385	25.5
71.05020	0.8
72.99307	3.3
73.02952	3.3
82.81864	0.8
83.01398	1.8
85.02960	13.6
87.00882	1.4
89.02451	14.2
95.01402	2.2
96.96031	5.9
101.02464	11.2
103.00795	1.1
113.02455	8.1
115.04071	1.0
116.92875	1.4
119.03502	2.6
123.08227	1.0
125.02478	1.3
131.03510	3.0
131.28603	1.0
136.89131	1.4
143.03506	1.5
144.86356	0.9
149.06096	1.1
191.05620	3.0
207.10460	1.1
209.11804	1.8
216.68590	1.0
244.51994	0.9
277.85956	0.9
386.31271	0.9
439.32114	1.9
487.34451	6.6
601.37878	4.7
619.38232	2.4
645.36523	6.9
646.36639	1.7
663.38141	1.2
677.41284	1.1
765.44318	100.0
766.44757	21.2
825.42889	16.9
826.43372	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	825.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.2
59.01384	51.4
60.01723	0.9
61.98838	11.8
69.36762	4.4
71.01389	7.8
72.99329	0.9
73.02945	1.9
83.01406	1.2
85.02969	4.2
86.00110	0.6
86.81734	0.5
87.00871	0.9
88.98822	1.5
89.02443	3.6
93.03449	0.7
95.01411	1.0
96.96011	3.6
99.00877	0.9
101.02444	7.3
105.95084	0.6
113.02461	3.7
116.92879	1.8
119.03490	1.1
121.02945	0.7
123.14324	0.6
124.93417	0.6
131.03514	2.3
135.04529	0.9
161.04556	0.9
179.05690	0.6
189.01167	0.6
191.05606	3.4
209.11737	0.7
265.54871	0.8
301.03113	0.6
471.34644	0.8
501.32043	0.9
585.38141	5.5
586.38342	1.4
603.39063	100.0
604.39459	18.3
645.36774	2.5
710.36725	0.6
765.44574	10.2
766.45819	1.8
825.43469	6.3
826.43567	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	825.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69199	0.9
59.01384	16.1
59.48403	0.8
61.98545	0.9
61.98840	9.3
68.83789	0.9
70.22214	0.8
71.01391	15.0
72.99312	1.3
73.02957	3.6
82.42262	0.8
83.01394	2.2
87.00863	1.0
89.02465	5.3
91.78681	0.8
95.01398	1.8
96.95969	1.3
101.02448	9.7
113.02448	6.1
116.92844	0.9
128.51691	1.0
131.03546	2.0
168.49402	0.8
209.11896	1.7
229.23656	0.9
276.16217	0.8
291.26617	0.8
471.35095	1.3
479.02658	0.9
585.38116	2.8
603.39087	6.3
759.90771	0.9
765.44366	100.0
766.44611	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13501	0.4
59.01115	0.7
59.01387	9.3
61.98825	1.5
62.98895	0.4
67.01884	1.0
68.99807	1.1
69.03436	0.5
70.28447	0.5
71.01013	0.8
71.01386	14.2
71.05003	0.6
72.99316	4.0
73.02956	0.9
75.00878	28.1
75.04296	0.4
78.85091	0.4
80.91104	0.4
83.01349	1.0
84.02169	0.6
85.02959	26.6
87.00871	4.7
89.02470	3.1
91.58024	0.4
93.03441	0.7
95.01394	3.0
95.01924	0.4
95.30723	0.4
96.65809	0.5
96.96008	1.8
99.00885	4.0
101.02471	2.1
109.02898	0.5
111.00861	0.6
112.01676	0.8
113.02457	16.0
114.02774	0.6
115.00352	1.4
116.01163	0.8
117.01906	0.8
119.03493	0.7
129.01941	0.7
133.03000	0.5
135.04477	1.1
137.02379	0.5
157.01430	0.8
161.02438	0.8
165.05481	0.5
172.80865	0.4
173.04564	1.5
175.02539	0.8
179.03464	0.5
179.05670	0.4
180.04298	0.6
191.05623	2.8
196.57294	0.4
225.07477	0.5
284.78146	0.5
353.08749	0.5
387.04910	0.4
469.33310	0.8
487.34158	1.1
601.36914	0.6
630.36066	0.5
645.36810	0.8
663.37817	2.1
664.37622	0.6
798.46423	0.5
825.42859	100.0
826.43170	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	825.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	25.7
60.99284	1.0
61.98832	3.6
65.17113	0.9
65.77253	0.9
67.01907	1.6
67.15633	0.8
69.84590	0.9
71.01391	24.2
72.99317	5.1
73.02963	3.3
75.00882	22.4
83.01412	1.7
84.02171	1.2
85.02962	27.2
85.63811	0.9
87.00890	6.5
89.02464	10.8
93.03481	2.7
95.01411	3.5
96.96017	8.6
99.00887	6.2
101.02451	10.3
113.02474	15.8
117.01965	1.2
119.03490	3.8
124.82938	1.0
125.02457	1.9
133.02957	2.6
133.58952	0.9
135.04469	1.2
137.99452	0.9
138.46832	1.1
151.00356	1.3
157.01343	1.6
168.18536	0.9
173.04565	3.2
177.01945	2.2
179.03526	1.9
179.05748	1.1
191.05612	7.2
303.21756	2.5
343.60614	1.1
471.05313	1.0
497.67786	1.0
519.25018	1.1
825.42865	100.0
826.43042	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	825.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.4
59.01384	6.6
61.98833	0.6
67.01899	0.7
68.99818	0.9
69.03454	0.5
69.35803	0.6
69.36207	2.1
71.01389	10.0
72.99313	3.2
73.02941	1.5
75.00877	20.2
76.01220	0.5
83.01392	1.3
84.02203	0.6
85.02956	29.5
86.03280	0.7
87.00884	4.5
89.02452	1.8
93.03431	0.9
94.56989	0.4
95.01409	3.0
96.96021	1.2
99.00885	4.1
99.59854	0.3
101.02437	1.0
112.01676	0.9
113.02457	20.8
114.02821	0.5
115.00378	2.3
116.01156	1.8
117.01949	1.2
123.34472	0.3
129.01926	1.2
134.00647	0.3
143.06758	0.4
150.03236	0.5
157.01413	1.8
173.04552	2.1
175.02470	1.1
191.05632	0.4
210.28806	0.4
229.14621	0.4
369.66702	0.5
388.81577	0.3
409.27368	0.7
425.30881	0.4
439.32028	1.2
455.31635	5.7
456.32086	1.0
457.83652	0.3
467.31476	1.0
469.33408	1.2
485.32788	4.0
486.33173	0.8
487.34311	7.8
488.34622	1.3
489.27148	0.5
619.38519	1.0
663.36389	1.5
825.42841	100.0
826.43109	22.9
826.59106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	3.5
59.01387	73.5
61.98837	6.0
68.16573	1.2
70.24348	3.2
71.01393	41.5
72.99306	4.7
73.02953	1.3
75.00893	2.1
77.31918	1.2
83.01385	3.0
85.02959	40.8
86.03337	1.1
87.00895	3.7
89.02460	33.4
93.03487	2.0
95.01395	5.0
96.96022	10.2
98.20599	1.2
101.02464	19.7
113.02462	33.4
116.92807	1.1
117.47077	1.2
119.03511	8.9
121.02950	1.5
122.03745	2.2
129.01927	1.8
134.03728	0.9
135.04538	3.8
139.00378	1.5
143.03485	2.0
147.46049	1.1
149.02454	2.8
150.03242	12.7
151.00371	2.2
151.07565	1.8
157.01418	4.8
161.04549	1.3
162.25964	1.0
165.05605	11.9
166.02670	3.2
173.04597	1.6
177.01971	1.3
177.36464	1.0
179.03503	4.7
179.05598	3.5
181.05083	6.8
191.03499	1.7
191.05606	3.2
195.06662	5.5
197.08261	1.9
203.03529	2.4
211.09747	2.1
219.95633	1.2
236.06895	2.1
246.38350	1.3
251.09332	3.3
311.24448	1.2
373.13153	1.8
401.12418	1.5
403.14050	3.0
433.14984	1.4
487.34314	6.7
529.35382	2.3
601.37500	28.4
602.38007	4.7
603.39050	23.9
603.48706	1.2
604.39728	4.6
629.22498	12.7
630.22601	2.9
645.36487	48.3
646.37030	7.5
668.96301	1.3
825.42865	100.0
826.43402	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.4
59.01380	7.3
61.98819	1.8
63.86464	0.4
67.01880	0.7
68.99813	0.8
69.67226	1.3
69.67649	1.6
71.01388	11.3
72.34083	0.4
72.99317	3.6
73.02944	0.9
75.00880	33.9
83.01373	1.2
83.14420	0.4
85.02959	30.7
86.03352	0.5
87.00879	4.5
89.02483	1.0
95.01389	2.5
96.96020	0.7
98.19934	0.5
99.00879	4.8
101.02431	0.9
111.00858	0.5
112.01671	0.7
113.02462	17.1
115.00370	1.6
116.01170	0.9
117.01942	1.0
129.01956	0.9
133.02957	0.5
157.01482	0.9
175.02484	1.0
179.64827	0.4
191.05571	0.8
193.69600	0.4
282.51627	0.4
455.31653	0.6
469.33301	1.7
485.32245	1.0
487.34381	2.4
601.38110	0.9
645.36353	0.7
653.78436	0.5
663.37561	3.3
825.42822	100.0
826.43073	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.9
59.01383	11.9
61.98840	0.8
67.01897	0.9
68.99810	1.3
71.01383	10.3
71.05030	1.9
72.99325	4.0
73.02947	1.8
75.00880	47.8
76.56006	0.5
77.87747	0.5
83.01389	2.3
85.02964	34.0
85.68383	0.5
86.03299	1.2
87.00398	0.5
87.00877	2.4
89.02457	3.1
93.03436	1.0
95.01393	4.4
96.96006	1.0
99.00899	4.2
101.02454	4.9
103.20462	0.5
109.83594	0.6
111.00891	1.0
112.01694	1.5
113.02463	16.6
113.03257	0.8
115.00368	1.5
116.01155	1.3
117.01965	1.6
129.01950	1.5
133.68620	0.5
157.01414	1.6
161.04660	0.7
165.01868	0.8
173.04576	0.9
175.02553	0.7
191.05595	2.1
195.06566	0.6
225.07724	1.7
263.15063	3.5
389.64294	0.6
391.19507	0.6
409.20773	5.8
410.21371	0.6
423.32864	1.2
429.17590	0.7
537.36090	1.2
601.37421	1.6
624.20203	0.6
645.36469	1.8
663.37543	12.5
664.37878	1.7
705.38733	1.6
825.42853	100.0
826.43182	24.3
826.56830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.6
59.01384	63.3
60.01722	0.6
61.98837	2.0
67.01914	0.7
69.28970	0.4
71.01387	39.2
72.01731	0.7
72.99319	3.5
73.02969	1.1
75.00884	0.6
83.01378	2.2
84.02175	0.5
85.02958	34.7
85.62891	0.4
86.03288	0.6
87.00878	3.8
89.02452	27.3
90.06238	0.5
95.01398	4.8
96.96031	0.8
101.02449	17.1
101.20109	0.4
112.01655	0.8
113.02460	32.9
114.02831	1.0
119.03507	7.7
121.91377	0.4
129.01961	2.3
131.03566	1.2
143.03523	0.7
157.01416	3.6
161.04581	0.7
179.05647	2.5
229.40967	0.7
294.97589	0.5
396.36908	0.5
439.32178	0.6
455.31747	0.5
469.33496	0.6
485.32953	0.6
487.34537	3.0
501.32156	2.8
502.32556	0.6
583.36176	3.6
590.99799	0.5
601.37482	10.5
602.37708	2.5
645.36456	40.0
646.36823	8.3
663.37036	0.8
825.42847	100.0
826.43134	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	825.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	3.0
59.01386	58.4
61.98833	3.6
65.05983	0.5
67.01889	0.9
69.03459	0.6
71.01389	42.4
72.01710	0.6
72.99315	5.0
73.02946	1.8
75.00896	3.5
79.19443	0.7
79.32995	0.5
81.05198	0.5
82.92973	0.5
83.01391	3.3
84.02172	0.7
85.02959	40.8
86.03306	0.9
87.00876	3.6
89.02451	31.5
95.01407	4.4
96.96002	1.6
97.02982	0.6
98.20647	2.5
101.02460	18.3
113.02458	37.0
114.02808	0.7
119.03513	9.7
129.01950	2.8
131.03476	1.6
143.03476	1.2
149.04605	0.7
150.03003	0.6
157.01456	5.1
161.04521	0.7
171.64488	0.6
179.05606	2.6
190.31104	0.5
191.05690	1.2
196.52386	0.6
209.11716	0.8
230.26540	0.6
396.70612	0.6
437.30499	0.6
455.31699	0.6
469.33096	1.4
487.34448	2.6
583.36285	2.9
584.36633	1.4
601.37518	15.9
602.37970	2.5
603.38660	3.3
645.36499	45.1
646.36951	8.5
749.44647	0.7
765.44318	2.9
779.42279	2.0
825.42865	100.0
826.43079	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
69.66793	1.4
69.67204	0.4
74.84534	0.3
77.48927	0.3
85.02955	3.0
87.00906	0.4
89.03975	1.4
93.03459	1.5
96.96030	0.3
104.02671	0.3
105.03470	2.4
111.04556	0.5
114.00082	0.3
119.05074	0.6
126.81710	0.3
127.04029	0.8
133.02971	8.9
134.03345	0.3
135.04564	1.6
148.01672	0.4
149.02448	0.9
161.02428	0.8
163.04025	1.5
173.04556	1.7
176.01160	1.2
177.01941	100.0
178.02278	5.6
179.03549	0.9
191.05624	39.4
192.06006	1.2
207.05145	0.3
232.70518	0.4
266.85065	0.3
267.67737	0.3
337.09515	0.4
351.07285	0.4
353.08795	5.9
354.09189	0.5
471.11472	44.2
472.11789	5.5
769.84058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03794	0.5
59.01386	2.8
61.98837	1.1
62.67434	0.4
69.56638	1.3
69.57048	2.0
71.01394	2.8
71.05978	0.4
73.02946	0.5
76.00373	0.4
81.03461	1.5
83.01384	0.6
85.02963	1.7
89.02463	0.8
93.03464	1.6
96.96013	2.2
98.20650	0.6
99.04529	9.5
100.24263	0.4
101.02466	7.2
105.03555	0.6
108.02158	0.9
113.02451	1.0
121.02969	2.7
122.03754	1.9
125.02458	11.2
133.02948	2.0
134.03749	1.3
135.04553	0.8
136.01672	55.1
137.02115	1.8
143.03508	0.6
149.06134	0.7
150.03136	0.7
151.04022	89.0
152.04358	3.9
159.04448	1.0
160.05307	1.9
160.91812	0.4
161.04535	2.2
162.03256	0.5
173.04565	1.9
175.07643	1.7
177.01904	0.8
177.05580	0.8
178.02599	0.9
179.03516	0.9
191.05632	3.6
311.12820	0.8
331.19507	0.6
339.08701	0.7
342.11157	4.4
343.11459	0.7
357.13440	100.0
358.13812	8.9
501.17776	2.3
519.18762	13.8
520.18854	2.3
561.19202	3.0
567.76990	0.6
615.21808	0.5
686.11823	0.5
771.68372	0.6
825.27490	6.3
826.27954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.5
59.01383	7.7
59.44183	0.4
61.98844	1.1
67.39188	0.5
69.03456	1.7
71.01381	7.7
71.55212	0.5
72.11798	0.4
72.57136	0.4
72.99313	0.6
73.02969	2.3
78.95899	0.6
80.96513	1.0
82.95426	0.8
83.01397	1.3
83.05036	1.1
85.02954	7.6
87.00896	2.0
89.02450	4.5
89.52164	0.5
93.03442	0.7
95.01432	0.6
95.05053	0.5
96.96027	1.1
97.02959	1.6
97.06586	3.4
99.00879	0.9
101.02444	7.4
109.06642	0.5
111.08237	0.4
113.02469	3.5
119.03517	2.2
123.08116	0.4
125.02530	0.5
125.06112	0.5
125.09725	1.5
127.11305	1.0
133.05060	0.9
137.09717	1.9
143.03494	1.4
145.05055	1.2
155.10780	1.0
161.04588	2.6
165.12912	0.9
167.14476	0.6
171.10283	16.8
177.12804	0.6
179.05615	0.8
183.13885	5.0
186.53635	0.5
191.05638	3.4
192.98779	0.5
193.12305	0.8
197.11847	0.5
201.11365	0.6
209.11842	1.5
211.13403	11.8
212.13652	0.7
221.11864	1.7
227.12958	0.7
229.14427	7.8
235.08224	13.5
236.08704	0.6
239.12901	0.9
247.20547	0.6
251.16508	1.0
253.09286	31.0
254.09518	1.0
255.23427	0.7
259.20660	0.7
277.21722	100.0
278.22095	7.7
291.19653	7.2
292.20135	0.9
293.21274	1.4
295.22751	1.3
309.20712	15.8
310.21017	1.5
311.22226	1.5
327.21753	83.8
328.22092	7.2
462.62488	0.6
513.23633	0.6
513.30664	0.9
545.29419	2.0
546.30292	0.6
563.30743	4.5
564.30762	0.6
587.43042	2.0
712.36157	0.5
733.37769	0.6
823.46875	1.1
856.90100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.1
59.01384	11.8
61.98825	1.9
69.03492	0.7
69.16290	0.7
71.01388	15.8
72.99321	1.5
73.02961	5.4
75.00878	0.8
78.95927	1.1
83.01382	2.2
85.02960	10.4
86.00131	0.9
87.00884	1.8
89.02469	2.6
95.01417	1.9
96.96014	3.4
97.02900	0.8
98.20723	1.3
99.00905	2.0
99.57597	0.7
101.02444	10.0
103.04015	1.0
107.75386	0.8
111.00880	1.4
112.29831	0.8
113.02459	4.9
131.03485	1.2
143.03479	0.9
161.04608	1.1
171.10321	1.1
191.05585	0.8
196.99510	0.7
201.89067	0.8
207.10229	2.9
209.11879	1.3
223.09601	1.1
225.11446	1.1
229.63019	0.9
291.19662	1.2
353.87033	0.9
455.35336	43.8
456.35733	7.8
599.39594	3.7
617.40698	6.0
618.41492	1.0
639.05560	0.9
653.13184	0.8
763.46436	100.0
764.46802	23.9
823.41193	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	823.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	2.9
59.01383	46.7
61.98829	3.0
62.24234	2.5
71.01381	18.2
73.02954	10.6
83.01365	4.8
85.02947	17.9
89.02463	7.4
92.31705	2.5
95.12440	2.6
99.00903	3.2
101.02454	28.8
110.08997	2.2
113.02464	2.9
131.03511	25.0
142.79712	2.8
209.11757	4.2
336.48654	2.9
444.83081	3.6
522.20825	2.8
701.42578	37.3
702.42773	5.2
719.43695	10.9
763.42743	100.0
764.42865	21.9
781.44537	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	823.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.8
59.01386	38.6
60.01711	0.7
61.98826	2.9
62.26332	0.8
68.44901	0.8
71.01389	63.2
71.03393	1.7
72.01727	0.9
72.99320	4.9
73.02953	15.8
77.85903	0.8
83.01400	10.4
85.02959	31.2
87.00893	4.1
89.02462	13.4
95.01383	5.3
96.96019	3.7
97.02947	1.1
99.00898	6.0
101.02458	47.1
111.00933	1.1
113.02460	27.2
119.03518	2.7
125.02386	1.2
129.02008	0.9
131.03511	9.7
143.03508	3.3
149.04536	2.7
159.03006	4.7
161.04575	19.2
179.01646	0.9
179.05612	2.4
182.52846	0.8
191.05626	1.4
205.74425	0.8
206.72481	0.8
209.11790	3.2
223.40810	0.9
248.03415	0.8
253.09244	1.1
341.23315	2.9
469.32953	4.3
520.49261	0.8
524.97125	0.9
601.37390	15.2
602.37964	3.5
615.48199	1.0
617.40417	1.1
645.35962	1.2
690.48151	0.9
763.42920	100.0
764.21838	0.9
764.43286	21.0
765.04248	0.9
823.41144	4.5
824.42194	1.2
838.44470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
59.60354	1.0
71.01390	27.6
71.55241	2.0
71.55613	1.4
71.77296	1.1
72.99319	6.0
73.02937	5.7
75.00877	35.6
77.33173	1.3
83.01397	4.7
85.02462	1.9
85.02957	32.0
87.00882	7.3
89.02451	4.3
93.03461	3.1
95.01401	3.0
96.96037	5.5
97.23412	1.1
99.00864	6.0
101.02441	8.4
105.03443	2.5
109.02970	1.3
111.00896	1.2
111.04532	1.5
113.02460	22.2
115.00356	2.7
116.01155	4.2
116.92876	10.4
123.04537	1.4
129.01962	1.5
133.02974	18.9
134.03781	1.3
135.04544	6.4
138.03185	1.1
150.03191	1.4
151.00423	1.5
170.08963	1.2
173.04552	6.8
173.11830	7.0
174.12119	2.4
175.02411	1.5
177.01944	11.5
179.03493	1.9
180.04326	1.5
181.05072	2.4
191.05635	8.6
193.04938	1.5
195.06575	1.7
204.61836	0.9
207.06647	1.2
208.03778	1.6
223.06158	2.9
225.07568	1.9
227.42256	1.2
247.40434	1.1
325.63181	1.2
351.07257	9.2
432.14676	1.3
467.27869	1.3
502.88940	1.2
560.67340	1.2
659.07733	1.2
823.37756	100.0
824.38141	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	823.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.0
59.01386	55.6
61.98836	1.5
71.01006	1.7
71.01389	23.2
71.56350	0.9
71.56772	1.1
72.99300	3.9
73.02957	9.2
82.82739	1.0
83.01416	4.3
85.02959	19.8
86.00106	1.7
87.00907	1.6
89.02460	8.5
95.01415	1.7
96.96033	1.3
99.00902	2.1
101.02455	25.0
103.04025	2.9
105.94711	0.9
113.02467	5.6
119.03496	2.5
131.03517	26.4
188.25539	0.9
259.47195	0.8
309.63480	0.9
397.27469	6.8
529.31952	1.4
545.14600	1.1
555.36713	2.3
599.36505	1.0
617.36829	1.9
643.34845	2.7
644.35138	1.4
675.37677	1.6
701.42767	19.1
702.42847	4.2
745.41998	5.5
763.42792	100.0
764.43164	20.1
823.41473	10.7
824.41583	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	823.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.9
61.98826	1.9
64.21461	0.8
65.36474	0.8
67.01885	1.1
68.99802	1.7
69.03448	2.4
69.37079	6.5
71.01016	1.5
71.01393	27.3
72.25415	0.9
72.99313	8.0
73.02962	8.3
75.00475	1.6
75.00885	29.6
78.43888	0.8
83.01398	3.5
85.02456	1.7
85.02960	26.8
85.72014	0.8
86.27236	0.8
87.00887	13.4
89.02443	4.3
93.03435	1.1
95.01393	3.7
96.96001	3.6
97.02945	3.3
99.00883	10.4
99.65391	0.9
101.02452	9.6
103.00368	3.1
111.00904	2.5
112.01683	1.6
113.02470	19.4
115.00420	5.0
116.92880	4.4
117.01927	3.5
125.02499	1.3
129.01999	1.6
133.03004	3.4
135.04527	5.2
137.02452	1.4
159.02956	1.8
161.04440	1.0
173.04597	1.9
175.02438	1.6
177.01894	1.8
178.02640	1.1
181.05132	1.3
191.05641	6.0
215.05759	0.9
216.77629	0.9
322.89560	1.0
351.07071	1.7
823.37701	100.0
824.37952	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	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01384	6.8
60.88389	0.7
61.98834	43.2
69.03456	1.2
71.01376	5.1
73.02950	1.0
78.91891	0.7
78.95921	1.3
79.67838	0.6
80.91684	1.7
80.96513	1.9
83.01398	0.7
85.02954	2.0
87.00882	1.2
89.02447	3.6
93.57554	0.7
94.98110	1.1
96.96017	4.4
97.02950	1.7
101.02465	5.0
111.08185	5.7
111.71555	0.7
113.02439	2.5
113.18807	0.6
119.03534	1.2
127.07644	0.8
130.98811	0.7
143.03473	0.8
151.11331	0.7
161.04552	2.3
163.11296	1.2
165.12856	2.1
167.42969	0.7
169.12392	2.2
171.10312	3.8
179.05612	1.3
179.10655	0.7
181.12408	1.5
183.13933	1.2
195.13907	9.1
197.11847	33.4
198.12167	1.2
199.13466	1.4
205.12259	0.8
211.13432	6.4
223.13385	5.9
227.12930	2.0
228.13643	0.9
229.19704	0.9
229.61497	1.1
235.08290	2.6
247.20714	1.5
249.14946	0.7
253.09312	28.4
254.09760	1.0
256.13269	0.9
256.44077	0.8
263.20084	0.9
265.18146	1.3
273.18683	1.1
274.11533	0.7
275.20135	7.7
276.20535	1.1
285.90613	0.8
291.19681	24.1
292.20035	2.5
293.21249	100.0
294.21640	9.0
309.20731	64.1
310.21136	5.7
312.51154	0.7
416.34647	0.8
441.75726	0.9
529.30243	1.7
545.29449	1.6
585.41766	2.6
671.73987	0.8
732.37506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32598	0.2
61.98832	0.2
68.78710	0.1
69.49519	0.3
69.49919	0.9
71.01362	0.2
78.95914	4.9
79.95745	4.1
80.96530	0.4
81.07430	0.1
89.02485	0.2
94.92457	0.1
96.96022	100.0
96.96910	4.3
97.95975	0.3
101.02450	0.2
106.04227	0.2
122.97543	0.1
129.51343	0.2
148.51025	0.1
171.10225	0.3
196.65556	0.2
207.74052	0.1
209.11871	0.2
253.09377	0.2
265.07458	0.2
277.21680	1.5
279.23602	0.2
289.18137	0.5
291.19260	0.2
307.19189	0.2
309.20279	0.1
493.66235	0.2
584.27191	0.2
821.41095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.2
58.00596	0.9
59.01384	30.9
60.01706	1.0
69.03480	0.8
69.16310	2.9
69.16738	5.2
71.01389	47.3
72.01721	0.9
72.99309	2.0
73.02955	16.0
74.70605	0.8
83.01390	7.2
85.02956	25.1
87.00893	1.6
89.02450	7.7
95.01403	4.6
96.96021	1.4
97.02970	0.8
98.20674	1.4
99.00888	5.4
101.02455	32.9
113.02457	18.9
119.03514	2.6
125.02448	1.4
131.03511	7.2
143.03551	3.5
154.25079	0.8
159.03017	3.9
161.04567	21.2
179.05638	2.7
242.28302	0.7
329.24911	2.1
423.32986	3.5
461.29169	1.2
555.36505	1.6
587.35608	1.4
599.35815	7.4
600.36725	1.7
602.77759	0.8
643.35828	1.3
717.42230	5.9
718.43079	1.1
761.41241	100.0
762.41681	24.2
813.11035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98836	1.4
66.01707	0.1
67.62588	0.1
69.41811	0.8
69.42219	0.3
71.01384	0.4
75.08684	0.2
76.43861	0.1
78.95914	4.6
79.95748	3.5
80.96526	0.4
85.02972	0.2
89.02483	0.2
94.10300	0.1
94.92506	0.2
95.97604	0.2
96.96021	100.0
96.96907	4.9
97.95978	0.3
101.02455	0.3
111.08178	0.5
114.80634	0.1
135.89288	0.2
161.07762	0.1
171.10228	0.3
195.13925	0.3
196.09268	0.2
197.11844	1.3
209.11862	0.5
211.13412	0.3
232.08226	0.2
235.08212	0.2
253.09320	1.4
275.20395	0.3
277.21832	1.1
289.18295	0.8
291.19724	0.9
292.20074	0.5
293.21262	4.4
294.21692	0.4
309.20728	2.1
310.21124	0.3
346.73245	0.1
556.47028	0.2
602.59625	0.1
731.36584	0.2
736.48999	0.2
823.07031	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	821.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
62.53868	0.4
63.02375	0.4
65.00336	0.6
67.01894	0.7
69.30290	2.6
69.30709	0.8
71.01387	0.8
78.50844	0.4
83.01393	0.4
85.02936	0.8
87.00886	0.8
91.01898	1.8
93.03465	7.8
96.96021	1.0
96.99326	2.5
98.19753	0.7
107.01376	0.9
108.02185	0.9
109.02941	1.1
111.00951	0.5
111.04539	0.5
117.03467	1.1
119.04261	0.7
119.05042	8.2
121.02946	1.4
123.04531	5.1
125.02442	0.4
128.79443	0.4
131.05013	1.1
133.02951	1.7
134.03746	8.3
135.04494	1.6
136.05290	1.8
137.02499	0.5
143.05048	6.8
145.02962	2.7
146.03767	2.5
147.04514	1.6
148.01567	0.5
148.05299	0.8
149.06085	1.7
150.03238	0.4
151.00348	3.0
155.03438	0.5
158.03755	1.9
159.04529	4.0
161.06082	1.2
163.00394	0.8
163.03999	5.3
165.09215	2.1
171.04497	0.7
173.04552	7.5
173.06071	1.9
174.03246	0.8
175.03996	0.5
178.02718	0.9
178.98364	0.4
178.99831	1.9
179.03351	0.5
187.04132	0.6
191.05602	4.2
193.05055	3.0
221.52989	0.5
226.06299	2.1
235.07698	1.2
241.08786	2.0
243.02968	2.6
244.32855	0.4
250.06407	0.7
251.07152	10.2
252.07921	3.8
253.08784	3.4
254.02327	0.9
254.09534	2.0
255.02963	6.6
265.08456	0.5
267.10284	1.5
271.02475	13.5
272.02911	1.5
279.06555	2.7
280.07388	10.0
281.07748	1.2
295.09772	7.6
296.10040	0.8
300.02759	27.3
301.03488	14.0
302.03815	0.7
313.10797	1.6
324.06314	1.8
331.21451	0.6
339.08780	3.4
357.09805	100.0
357.15234	5.4
358.10150	9.3
463.08841	40.2
464.09076	5.0
497.30426	0.8
659.39459	0.7
821.26868	0.7
821.41864	5.6
822.42798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.6
68.99802	1.1
69.58031	3.7
69.58443	1.4
71.01384	4.0
72.99334	1.2
73.85081	0.8
80.03183	1.1
83.01386	1.4
83.44447	0.8
85.02950	2.7
87.00877	1.7
89.02457	1.7
91.11854	0.9
93.03458	3.4
95.01393	3.4
96.96037	6.3
101.02466	2.4
109.02981	1.8
111.00921	1.2
113.02452	2.2
116.08134	0.8
121.02966	1.8
123.00890	5.7
124.01665	2.6
125.02412	1.4
127.00376	1.6
135.04520	2.2
137.02446	9.3
138.03270	4.4
139.00392	5.4
139.03992	2.8
145.02959	1.8
147.04553	2.7
149.02469	1.0
151.00378	10.1
151.03998	1.3
153.01979	6.2
153.05565	3.5
159.04520	2.6
161.02457	2.0
162.03210	2.7
163.03998	3.1
165.01949	20.7
166.02733	25.7
167.03305	1.4
168.04242	1.2
172.68028	0.9
173.04539	2.5
174.03061	1.1
175.03984	2.5
176.01125	2.5
177.01924	5.5
177.05550	3.5
178.02690	2.9
179.03502	4.8
180.04294	14.7
181.05089	34.1
182.05420	1.3
185.83931	0.9
188.01154	1.0
188.04672	1.2
189.01894	1.3
189.05611	1.7
190.02745	2.0
191.03488	7.2
191.05606	12.5
192.04308	11.4
192.05901	1.6
193.05017	3.2
194.05754	1.1
195.06645	17.2
203.03554	11.5
204.04120	2.8
205.05092	3.2
207.06616	8.7
210.05336	3.5
211.05977	1.8
211.07800	1.4
218.05876	10.8
219.06496	3.4
220.03754	1.1
221.04550	3.8
223.06094	3.0
225.07693	4.7
227.16447	1.1
233.08249	11.5
234.05362	1.4
234.08304	1.0
235.06038	2.4
236.06885	13.0
237.07475	1.3
249.07635	1.4
251.09247	23.2
343.08035	1.8
355.08023	1.4
357.09753	2.9
358.10471	4.1
359.11154	1.0
370.10458	1.1
372.12390	1.1
373.13019	10.2
385.13028	1.3
387.10599	1.1
403.09830	1.1
403.14368	1.6
417.11935	3.0
418.12573	1.8
431.13504	1.7
432.14243	14.7
433.14981	11.5
434.15143	1.6
611.21124	2.7
641.22504	2.9
659.23480	100.0
660.23865	20.4
821.28723	9.2
821.42529	1.2
822.27991	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	821.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.1
64.65990	0.5
65.00323	1.5
69.21658	1.1
69.22066	4.1
83.01400	1.2
91.01899	1.8
93.03477	4.7
96.96007	1.7
96.99314	2.6
107.01352	1.4
108.02174	1.6
109.02962	0.7
117.03478	0.9
119.05042	6.6
121.02955	1.7
123.04528	5.8
129.04025	0.6
131.05077	1.2
133.03038	1.3
134.03740	6.3
137.02423	1.2
143.05026	6.2
145.02966	1.2
146.03732	2.1
147.04590	0.9
148.01701	0.9
149.06050	1.4
151.00398	7.1
158.03746	2.4
159.04536	3.7
161.06047	1.3
163.00369	1.6
163.04022	5.1
164.01089	0.6
173.04524	2.2
173.05968	1.2
178.99890	4.2
180.16646	0.6
187.04051	1.0
191.05615	2.1
193.05054	2.4
199.66653	0.6
226.02603	0.9
226.06371	1.1
227.03412	1.4
241.08755	2.2
243.02924	6.3
244.03532	0.8
245.04578	0.7
250.06372	0.8
251.07162	10.5
252.07875	4.4
253.08755	3.0
254.02238	1.6
254.09399	2.3
255.03008	16.5
256.03320	0.8
265.08810	0.7
267.10498	0.6
271.02484	32.4
272.03134	2.7
279.06671	2.6
280.07376	7.3
281.07697	0.7
283.02142	0.7
295.09814	7.2
299.02002	0.7
300.02765	65.8
301.03482	31.5
302.03821	1.8
311.50247	0.6
324.06360	2.0
339.08649	3.1
357.09802	92.0
358.10214	7.0
456.95575	0.6
463.08844	100.0
464.09082	11.2
659.40735	0.8
788.99219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.9
60.07408	1.7
61.98823	7.7
71.01385	20.4
71.15549	1.9
72.99316	2.1
73.02950	7.7
78.95894	2.2
83.01396	5.2
85.02942	14.6
89.02453	4.9
95.01374	3.3
96.96046	10.4
99.00877	3.4
101.02446	20.1
113.02483	13.1
121.36562	1.9
161.04507	3.6
191.05659	3.7
209.11855	2.7
212.75259	1.8
265.25525	1.9
273.17053	2.1
551.89240	2.2
709.35938	2.1
750.14948	2.4
781.47211	7.3
783.49121	100.0
784.49341	29.5
787.39911	3.0
819.46735	70.9
820.47485	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	820.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76666	0.2
59.01390	0.5
61.98837	100.0
71.01415	0.3
71.56673	0.4
78.23576	0.2
78.95919	0.5
79.95771	0.3
80.96532	1.2
94.98092	0.4
96.96024	0.8
104.82309	0.2
118.89209	0.2
130.49762	0.2
135.95142	0.2
211.13533	0.4
225.00815	0.5
265.10739	0.7
293.21295	0.4
344.51404	0.2
395.96475	0.3
481.13043	0.2
586.01154	0.3
694.49408	0.2
706.44073	0.3
731.37274	0.8
785.01105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01358	2.6
71.01360	2.6
85.02950	5.3
87.00866	1.0
93.03461	4.3
96.96020	1.0
99.04508	1.3
101.02467	1.3
111.04514	1.5
121.06579	2.2
122.03683	1.1
123.17072	0.7
135.04510	3.3
136.05310	47.4
137.05948	0.8
147.08148	0.9
148.05338	4.2
149.06081	16.6
150.06870	4.3
155.10724	0.9
162.06885	3.9
163.07684	4.2
164.08408	5.2
165.09212	23.1
171.10239	1.4
173.04547	3.8
176.87973	0.7
179.03410	1.7
179.07301	0.7
191.04005	1.3
191.05634	21.5
192.05975	1.6
267.06604	1.3
294.05417	1.7
295.05887	0.9
312.06302	1.5
329.23288	7.7
352.10190	0.8
397.12210	0.9
409.12808	2.1
431.31711	1.6
434.30368	5.6
448.31882	5.1
449.32718	31.8
450.33020	4.9
476.31503	1.1
477.32205	3.5
494.32364	7.2
495.33246	34.7
496.33701	3.7
545.05829	0.9
583.18115	1.2
601.19281	1.8
609.15955	2.2
627.17163	1.6
657.38440	11.2
658.39233	2.4
801.22693	2.4
802.21936	1.2
819.43860	100.0
820.44116	20.5
820.55951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
61.98835	11.3
66.66862	0.5
69.36367	2.6
69.36780	0.9
78.95914	1.6
80.96521	1.0
82.95405	1.6
86.12882	0.4
96.18593	0.4
181.03348	0.4
191.05579	1.0
203.63454	0.5
217.00305	0.5
222.13414	0.4
235.20889	0.7
237.22246	40.3
238.22600	3.2
241.30289	0.4
255.23338	0.9
279.23267	3.0
279.44351	0.4
281.21237	23.6
282.21497	1.7
291.19769	0.6
299.22284	100.0
300.22626	7.7
321.20422	0.6
420.21100	0.4
463.61328	0.4
504.31137	2.4
505.31354	0.6
766.94781	0.5
849.76575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03704	0.1
61.98836	100.0
70.55359	0.4
70.55739	0.1
71.01372	0.2
78.95930	0.4
80.91715	0.2
80.96545	0.3
96.96028	0.3
145.67836	0.2
149.40831	0.2
209.11853	0.2
221.59082	0.1
230.67006	0.2
241.01161	0.1
253.09579	0.2
298.32013	0.2
307.19150	0.4
367.91849	0.2
419.83719	0.2
818.51001	0.2
819.38654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
59.83282	0.2
61.98837	100.0
71.01412	0.5
71.55460	0.3
79.95727	0.2
80.96530	0.8
82.95445	0.3
94.98093	0.2
96.96037	0.6
97.44734	0.2
191.05560	0.3
194.30811	0.2
200.99181	0.2
225.00772	0.3
229.34348	0.2
332.89401	0.2
423.28900	0.4
819.39050	0.7
840.37958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.42196	1.3
69.76208	0.2
71.01374	0.3
78.95943	0.2
78.98624	0.2
80.96517	1.7
93.64272	0.2
94.98103	0.4
96.96027	0.9
97.00764	0.2
134.97652	0.2
158.77583	0.2
164.03850	0.2
168.29083	0.2
183.78185	0.2
191.05695	0.3
209.11864	0.2
210.12135	0.2
225.00874	0.4
247.12439	0.2
277.21777	0.5
306.49866	0.2
495.90866	0.2
509.63818	0.3
819.41382	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	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98835	100.0
62.98536	0.2
69.78001	0.8
71.01403	0.3
78.95925	0.2
80.96516	1.5
82.96115	0.2
87.00877	0.2
94.98115	0.2
96.96004	0.4
112.20656	0.2
121.22260	0.2
122.09571	0.2
191.05728	0.7
209.11862	0.2
240.77367	0.2
818.51239	0.4
819.38232	0.3
819.52570	0.3
851.62274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42396	0.7
59.01391	3.6
61.98829	2.9
63.14008	0.6
69.72121	2.5
69.72534	1.4
71.01387	2.7
85.02960	3.3
87.00867	2.2
89.02449	1.2
90.43620	0.7
96.96029	1.5
101.02448	2.2
111.04536	0.9
113.02483	1.7
113.06075	0.7
123.17955	0.8
126.90373	3.5
135.08168	1.5
136.05307	1.1
149.06042	4.5
150.06879	48.1
151.07259	1.8
162.06906	5.8
163.07664	22.1
164.08432	5.0
173.04579	0.8
176.08444	4.2
177.09222	3.6
178.10027	3.8
179.10783	9.9
191.05632	2.1
265.25449	1.9
267.23331	3.7
269.21106	1.5
311.25970	3.2
313.23807	6.9
329.23376	2.2
393.32147	0.8
430.34460	1.2
432.32419	10.0
433.32974	1.0
446.34015	8.7
447.34796	20.8
448.35168	3.1
456.32617	0.9
473.32684	2.0
474.33508	8.2
475.34222	3.0
491.33887	1.2
492.34518	10.0
493.35355	32.8
494.35718	4.6
637.39667	2.2
655.40607	14.7
656.40924	3.2
671.37158	1.7
738.99292	0.8
781.43939	0.9
817.45996	100.0
818.46429	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.7
59.01387	3.4
69.55589	1.7
69.56017	3.1
71.01385	2.0
85.02947	2.9
87.00887	0.9
89.02444	1.3
97.24107	0.7
101.02403	1.2
111.04522	1.0
111.08178	1.0
113.02448	1.5
119.03463	0.8
121.06594	2.9
122.03763	2.5
123.04542	0.9
135.04506	3.5
136.05315	59.9
137.05809	2.1
147.08202	0.7
148.05327	3.6
149.06093	17.0
150.06885	6.3
153.09206	1.3
157.08698	1.0
157.46915	0.7
162.06900	5.2
162.32069	0.6
163.07637	3.8
164.08411	6.7
165.09233	27.1
166.09532	1.4
169.12354	1.0
179.07242	1.0
191.05519	1.1
207.10233	0.7
220.77043	0.8
281.21191	1.9
327.21777	8.9
328.54965	0.7
401.26819	1.0
414.27670	1.4
429.30206	2.4
432.28784	5.3
446.30310	5.7
447.31149	32.3
448.31491	4.2
459.15271	0.8
473.29327	1.3
474.29706	1.5
475.30707	2.6
485.43356	0.7
491.30066	0.9
492.30936	6.2
493.31708	30.9
494.31934	4.7
637.35852	1.4
655.36945	13.8
656.37488	2.4
817.42346	100.0
818.42633	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01167	1.2
59.01390	16.3
61.12764	1.4
61.98823	4.8
71.01385	13.3
73.02950	2.2
74.98200	1.3
78.50842	1.2
83.01381	3.2
85.02965	7.3
87.97118	1.5
89.02459	11.5
95.97325	1.2
96.96017	3.1
98.19891	4.0
99.00825	1.2
101.02461	11.7
113.02454	5.7
119.03516	1.8
125.02415	1.7
131.03490	1.9
165.12947	1.8
191.10753	2.9
209.00990	1.2
209.11855	36.7
210.12138	1.9
227.12892	2.4
395.36612	2.0
397.13522	7.4
415.14594	3.3
469.33151	1.9
487.34143	4.4
601.37592	4.0
619.38690	6.6
620.38257	1.9
627.44995	1.7
682.15094	1.5
781.43921	71.5
782.44385	17.1
817.41486	100.0
818.41785	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	1.2
59.01389	14.5
59.24529	1.7
65.01507	1.6
67.47727	1.2
68.99565	1.5
70.84533	1.4
70.84869	3.4
71.01390	13.6
73.02962	2.7
75.00873	4.1
77.63112	1.3
80.96542	1.5
81.43833	1.4
83.01381	1.9
85.02953	7.6
89.02457	6.8
96.96009	4.0
101.02455	7.3
112.98584	1.8
113.02441	4.9
131.03496	3.0
164.29588	1.3
417.86816	1.5
487.34482	2.7
619.38446	7.6
781.43872	71.8
782.44519	16.6
817.41339	100.0
818.41705	23.6
836.48950	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	816.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98834	100.0
69.30528	1.5
69.30929	0.5
76.88300	0.3
96.96030	0.8
123.46947	0.2
155.29295	0.3
179.53769	0.3
191.05598	0.4
263.45868	0.2
431.98541	0.3
640.40466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	84.2
60.01725	0.8
61.98838	100.0
62.98555	0.6
63.99267	0.5
71.01403	2.4
73.02969	0.5
76.99614	0.4
78.95924	1.2
79.79725	0.4
79.95734	1.1
80.96515	5.3
82.96088	0.7
83.01387	0.7
85.02975	0.7
87.00863	1.0
87.37544	0.4
89.02448	1.6
90.74104	0.4
94.98069	0.9
96.96017	1.2
97.02989	0.7
98.20667	1.2
101.02445	1.5
108.33538	0.5
112.79876	0.4
113.02437	1.1
118.32681	0.5
122.43857	0.5
125.02465	1.1
139.77348	0.4
141.01718	45.3
142.01991	1.1
164.98485	0.4
191.05623	1.1
235.08028	0.6
243.04791	0.5
277.21777	4.7
278.22073	0.7
343.15256	0.5
359.22192	3.7
360.22211	0.7
397.13574	10.0
398.13470	0.6
415.14694	2.4
419.11255	1.9
437.12711	3.1
642.08423	0.5
689.08777	0.6
697.33203	2.0
817.50964	4.0
818.49091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
58.29041	0.3
59.01389	2.9
61.98837	0.6
63.96242	2.0
64.37230	0.3
69.03458	1.3
70.25014	0.7
71.01383	10.2
71.10537	0.3
73.02959	2.0
78.58347	0.3
78.95916	0.8
78.98596	8.4
79.95739	17.6
80.96521	97.9
81.03466	0.9
81.52517	0.3
83.01424	0.3
85.02949	4.0
87.00882	3.9
93.97314	0.3
94.98092	21.2
95.01424	0.4
96.96007	1.7
97.02943	2.0
98.20021	0.4
99.00886	0.7
101.02439	2.8
106.98096	4.0
113.02471	0.5
122.97598	5.1
125.02448	3.4
127.04039	1.1
134.97578	7.1
136.99161	1.9
141.01700	2.0
146.97589	0.6
148.99133	7.0
152.98616	8.2
152.99730	0.5
164.98634	14.5
165.98914	0.3
167.00400	0.4
170.10515	0.3
182.99498	0.4
206.99719	2.8
225.00748	19.1
226.01103	0.4
255.23280	1.8
256.23639	0.3
277.19266	0.3
277.21655	1.8
305.02499	0.6
387.02713	0.3
418.06281	0.3
432.14914	0.3
537.27795	1.6
559.25745	2.1
781.65369	0.4
815.49847	100.0
816.50165	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19374	0.5
59.01373	1.2
59.92393	0.5
63.96244	2.7
69.03468	1.1
71.01391	9.6
71.36916	1.0
73.02962	2.2
78.98602	8.2
79.95743	18.4
80.96526	100.0
83.01412	0.9
85.02953	3.5
87.00897	3.5
87.06397	0.5
94.98100	23.6
95.01335	0.5
96.96021	1.1
97.02959	2.1
99.00929	0.9
99.04547	0.5
101.02460	3.0
106.98112	3.7
113.02467	0.7
122.97605	5.2
125.02467	4.5
126.43024	0.6
127.04029	1.3
134.97609	7.0
136.99158	2.3
146.97565	0.6
148.99150	8.4
152.98642	7.2
152.99762	0.8
164.98643	13.7
179.37738	0.6
180.73903	0.5
188.49316	0.5
196.89545	0.6
206.99672	3.2
225.00755	20.3
226.01178	0.7
255.23213	1.6
277.21741	1.4
537.27454	1.5
559.25836	2.1
815.49908	97.3
816.50165	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	815.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.7
61.98838	39.1
71.01385	21.2
73.02950	4.0
78.98606	3.1
79.95748	5.7
80.96529	34.5
81.03441	2.1
83.01375	2.7
85.02983	9.1
87.00890	5.0
89.02448	7.4
94.98089	7.4
95.01406	2.1
96.96029	20.2
96.96967	2.2
97.02975	3.4
99.00835	2.2
101.02464	11.9
103.03993	2.5
109.06574	3.1
113.02446	3.8
119.03555	2.6
125.02456	3.5
134.97597	2.8
135.04572	2.3
148.99118	3.5
161.04553	2.6
162.39113	2.0
164.98660	6.2
181.12483	2.2
191.05586	3.7
207.10349	11.3
209.11815	2.4
215.39598	1.8
225.00772	7.1
225.11310	4.9
229.46120	2.2
335.61813	1.7
636.70630	2.1
745.53693	2.1
779.45929	100.0
780.46301	23.8
797.36017	2.4
815.44128	56.1
816.43311	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	815.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98843	6.5
68.44523	1.1
71.01382	9.6
71.02840	2.6
73.02974	1.6
75.00878	3.3
78.95917	14.3
78.98596	3.8
79.95734	7.9
80.96528	45.2
81.03464	1.9
83.05033	3.2
84.91309	1.1
85.02966	2.6
87.00896	2.6
89.02449	2.3
94.98093	9.9
96.96040	2.5
96.97002	3.2
97.02951	2.6
98.10168	1.1
101.02452	4.4
106.98056	1.6
109.06618	1.8
113.02457	1.4
122.97595	2.9
125.02462	1.9
134.97604	3.6
148.99161	3.8
152.98595	3.0
152.99631	3.1
163.11273	3.7
164.98621	6.0
165.12807	2.2
171.09000	1.4
171.10257	7.5
191.10863	1.2
201.11348	1.7
206.99666	1.8
209.11847	100.0
210.12155	5.5
225.00751	6.7
225.11163	2.4
227.12897	10.3
235.08194	3.3
241.01189	6.8
253.09291	9.2
255.23294	9.0
256.23584	1.9
277.21750	78.0
278.22098	8.6
279.23267	2.2
288.21527	1.3
445.20551	3.1
559.25342	1.3
725.39166	6.5
729.02240	1.2
742.53436	1.3
797.40710	5.1
815.50287	35.2
816.50208	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	815.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.3
61.98830	17.8
67.25671	2.8
71.01397	25.2
71.56099	4.7
72.99299	3.8
73.02958	4.8
73.55322	3.3
78.98598	8.0
79.91961	2.9
79.95744	19.4
80.96523	100.0
85.02952	12.4
87.00884	5.4
89.02431	4.9
94.98101	22.0
96.96023	18.5
101.02436	14.3
106.98087	3.1
113.02458	6.8
120.96090	3.0
125.02435	4.6
131.03497	5.5
134.97560	4.7
148.99118	6.9
152.98616	8.7
164.98624	12.9
165.23663	2.8
191.05574	5.3
215.19260	3.0
225.00789	15.5
228.06584	3.7
231.89647	3.1
431.13022	3.5
733.45551	22.6
733.95532	3.7
734.45844	24.5
735.45734	7.0
779.45880	87.3
780.46191	22.2
797.55115	3.4
815.50745	91.5
816.49261	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	815.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.7
59.26772	1.3
61.98841	10.2
66.98499	1.3
69.24918	5.9
69.25350	6.0
71.01376	5.1
80.96501	2.8
85.02936	4.4
85.26230	1.6
89.02435	1.7
94.04145	1.3
96.95984	3.1
98.20659	3.1
101.02421	4.3
106.38422	1.2
113.02441	2.7
123.14849	1.3
129.03337	1.5
129.61913	1.4
150.06728	1.4
163.07607	2.0
467.55777	1.7
779.41992	7.6
815.39716	100.0
816.40118	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	814.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77721	0.2
59.01379	0.8
61.98836	100.0
70.76395	0.6
71.01402	1.0
73.02955	0.3
80.49228	0.2
80.96530	0.6
85.02988	0.4
89.02467	0.4
101.02438	0.5
102.57601	0.2
113.02450	0.3
116.07221	0.9
131.03490	0.2
191.05652	0.2
232.79044	0.2
308.18863	0.7
466.27301	0.2
753.47998	0.2
754.47632	0.8
815.49994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
58.61821	2.7
59.01385	75.6
60.01698	3.3
61.98829	7.9
65.50291	2.6
71.01389	61.7
72.99310	8.0
73.02950	5.3
78.95921	2.7
83.01390	4.0
83.79375	3.2
85.02962	19.7
87.00882	7.4
89.02454	100.0
90.02798	2.8
93.03458	10.2
95.01431	5.7
96.96022	47.8
96.96962	3.6
97.52242	3.0
101.02451	38.4
107.90614	2.7
108.47474	3.2
110.72580	2.6
113.02455	26.1
119.03516	43.6
131.03496	6.2
135.04584	4.4
136.05276	12.8
137.02452	3.1
143.03508	7.4
146.03795	2.9
148.05289	7.4
149.02473	3.5
149.04576	6.8
149.06061	6.3
150.03325	3.4
150.06824	3.8
151.00375	3.1
159.04509	4.1
161.04550	11.5
162.06854	9.8
163.07687	11.1
166.27049	2.7
173.04515	11.9
177.09105	3.5
179.05647	44.3
179.07159	6.2
181.05034	2.9
191.05634	40.9
192.05992	3.4
195.06619	8.9
196.07327	3.7
203.03493	2.7
229.59132	3.3
233.04521	6.3
237.14922	2.8
239.09279	3.0
261.48477	2.9
327.21738	9.4
446.46814	3.4
449.12524	5.4
473.29236	5.7
569.24219	3.7
623.18042	5.7
635.27594	7.9
653.35870	12.7
814.45911	4.1
815.41357	28.6
816.42114	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	812.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98537	0.1
70.85173	0.3
81.42516	0.1
85.28976	0.1
90.01035	0.1
121.21222	0.1
194.51808	0.1
252.23274	0.1
481.76108	0.1
752.46368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69122	0.2
61.98836	100.0
63.57204	0.1
65.57167	0.1
89.44259	0.1
98.19882	0.4
147.97633	0.1
148.43466	0.1
247.97775	0.1
390.62598	0.1
752.46490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	20.7
61.98840	49.1
71.01376	16.3
71.55946	7.3
80.02663	5.6
80.96526	21.9
81.03452	5.9
83.05031	6.5
84.02191	7.6
85.02959	10.1
89.02421	9.2
93.03473	5.6
96.96022	27.6
97.02956	13.8
101.02440	9.4
106.58029	5.6
109.06608	38.2
113.02451	10.0
135.08095	7.5
148.37325	4.6
163.11279	23.5
167.62259	5.3
169.12259	7.6
191.05643	6.5
197.11845	34.8
207.10266	100.0
208.10547	10.7
209.11871	59.3
211.13416	5.7
225.11421	33.5
227.12964	6.3
235.08217	12.5
253.09235	29.7
263.19916	5.8
266.37042	5.5
272.14188	6.7
289.18036	23.6
291.19757	26.1
307.19052	14.7
309.20764	73.9
310.21304	6.7
361.66684	5.3
400.96033	6.0
461.19858	8.0
752.53076	6.9
753.40594	40.7
754.40692	11.1
813.47968	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	811.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
58.00589	1.1
59.01384	22.2
61.98837	3.6
65.25056	0.6
71.01390	34.5
72.01712	0.6
72.99302	2.0
73.02953	12.7
74.29988	0.6
75.00873	0.7
81.03449	0.7
83.01382	5.3
85.02461	1.1
85.02959	21.4
86.00105	1.0
87.00886	3.5
87.04496	0.8
88.98811	1.6
89.02454	4.5
95.01407	3.1
96.96031	0.9
97.02946	1.5
98.10449	0.7
99.00880	4.8
101.02453	23.0
103.04005	1.6
103.40906	0.7
104.45538	0.6
106.74290	0.6
113.02465	12.8
115.04020	0.9
125.02435	1.4
131.03510	1.8
135.04504	0.7
143.03531	2.3
145.43991	0.6
159.02972	2.2
161.04564	6.8
163.06055	0.8
179.03545	0.7
192.53098	0.7
229.65857	1.0
315.20251	0.7
316.79095	0.7
367.95010	0.7
443.35187	0.8
521.62372	0.7
605.40515	5.9
606.41650	1.0
751.46411	100.0
752.46667	26.1
773.58276	0.7
804.57513	0.6
809.76752	0.7
811.44843	1.2
812.44275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28759	64.3
71.35561	88.4
86.09613	63.5
90.59221	75.6
104.73536	84.1
165.17737	79.3
277.21854	100.0
305.51172	83.9
346.03772	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
57.77464	0.4
58.00594	3.0
59.01385	56.0
60.01706	1.1
61.98817	2.3
69.42580	3.3
71.01386	36.6
72.01736	0.8
72.99318	3.8
73.02957	2.8
75.00879	2.5
83.01409	3.7
84.96655	0.5
85.02960	12.4
86.03289	0.8
87.00882	2.6
89.02450	31.7
93.03455	0.8
95.01406	3.4
96.96023	3.9
97.02930	0.6
99.00875	1.3
101.02445	19.8
102.02774	0.6
113.02457	13.9
114.02789	0.8
119.03513	12.9
125.02428	0.6
131.03458	0.9
135.04503	0.9
137.02423	0.7
143.03503	2.3
149.02528	0.6
149.04549	0.8
150.03212	1.7
153.01880	0.5
161.04544	1.8
165.01872	1.3
165.05544	1.8
166.02753	0.6
173.04544	0.7
177.01846	0.5
177.05571	0.5
179.03526	0.7
179.04002	0.8
179.05600	5.5
180.04233	1.1
181.05058	0.7
191.03964	0.6
191.05533	2.7
195.06635	2.8
196.07019	0.6
225.07668	0.8
227.06963	0.6
283.67511	0.6
380.89804	0.5
387.14368	0.6
458.88794	0.5
544.61334	0.5
547.67297	0.5
565.21155	1.1
603.38885	0.8
613.22632	2.4
614.23474	0.6
631.38617	6.9
632.38678	0.9
749.44672	0.7
767.46057	0.7
809.43518	1.3
810.43787	1.4
811.44812	100.0
812.45203	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	811.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
63.96241	2.5
71.01389	11.0
71.55762	1.6
73.02949	1.7
78.95907	2.7
78.98596	5.8
79.95738	17.6
80.96528	81.8
81.68078	1.6
85.02950	3.1
85.34875	1.3
87.00895	3.4
94.98112	17.3
97.02982	1.5
101.02426	3.2
106.98086	3.6
122.97581	3.5
125.02473	2.9
134.97601	7.2
148.99141	7.2
152.98619	7.0
164.98640	12.7
206.99663	4.6
209.11852	1.6
224.98689	2.3
225.00737	20.4
230.42760	1.4
241.80441	1.4
245.95062	1.5
272.84546	1.4
483.15585	3.7
527.17804	1.6
704.76874	1.7
727.30341	1.5
767.42926	4.1
779.39130	2.1
811.45081	100.0
812.45630	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	809.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.0
70.83450	3.2
70.83803	1.8
71.01365	4.7
73.02965	1.5
78.11575	1.6
78.97446	1.6
85.02948	2.7
95.66575	1.7
101.02441	4.6
123.41509	1.3
131.03496	3.4
158.81520	1.3
201.80090	1.5
202.01254	1.4
248.73242	1.4
335.61984	1.7
360.15253	1.6
453.33661	2.6
471.34811	1.8
749.44836	100.0
750.45184	23.6
809.41003	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	809.47
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.7
61.98834	16.1
67.56309	1.1
70.81171	1.0
71.01047	1.4
71.01391	10.9
71.57015	1.7
73.02937	3.3
74.33303	1.0
75.00864	2.0
83.01360	1.9
84.99619	1.1
85.02966	9.4
89.02443	4.4
90.65744	1.0
95.01392	1.4
96.95987	1.2
101.02425	7.2
113.02432	5.2
116.92841	1.8
117.01958	1.5
131.03464	2.6
134.89490	1.6
191.05589	3.7
263.14053	1.2
469.50647	1.1
471.34891	12.5
472.35303	2.6
585.37775	2.5
603.38855	3.3
645.35187	1.5
749.44818	100.0
750.45270	25.5
793.44196	2.0
809.43878	5.3
810.44208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.3
59.01386	19.2
61.98832	5.8
64.33055	1.3
71.01372	5.7
72.99303	1.5
73.02941	3.1
75.00875	1.5
75.79929	1.1
83.01405	1.8
85.02977	7.2
86.00130	1.4
86.56329	1.0
87.00866	1.3
88.48723	1.0
89.02454	2.2
90.39620	1.0
99.00867	1.3
101.02444	5.2
108.18113	1.1
113.02444	2.8
131.03491	4.3
191.05685	2.7
203.38387	1.1
209.46579	1.1
301.14911	1.0
416.05295	1.4
471.34805	13.7
472.35144	2.1
585.38000	2.3
603.38885	3.1
604.38269	1.4
737.03943	1.3
749.44812	100.0
750.45123	22.1
809.42499	3.1
810.43243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.4
70.42336	1.7
70.42732	1.9
71.01392	4.1
73.02949	1.4
85.02955	4.7
93.12061	1.1
96.96022	1.8
98.20605	1.2
101.02441	3.9
116.29279	1.0
131.03506	3.7
188.04201	1.2
196.28346	1.2
230.01152	1.2
287.10049	1.2
384.27045	1.1
445.64334	1.2
471.34869	1.5
749.44849	100.0
750.45197	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	809.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.04052	0.3
64.86063	0.3
65.00333	0.4
67.01897	0.5
69.26118	3.6
70.88428	0.4
71.01386	1.5
71.38251	0.3
85.02946	0.7
87.00888	0.5
89.02440	0.5
89.03989	0.4
91.01897	1.8
93.03462	7.3
96.96014	1.0
96.99319	3.3
101.02483	0.4
108.02196	1.0
109.02944	0.4
111.00883	0.6
111.04522	0.8
117.03468	0.9
119.05039	7.3
121.02973	0.5
123.00922	0.4
123.04530	5.4
131.05035	1.3
133.02950	1.5
134.03754	6.9
135.04521	2.3
137.02454	1.1
143.05037	7.4
145.02965	1.2
146.03749	3.0
147.04488	1.1
148.01743	0.5
149.06096	0.9
158.03741	2.4
159.04530	4.1
160.01744	0.4
161.02419	0.5
161.06090	1.6
163.04028	6.0
171.04541	0.5
173.04552	9.8
173.06052	2.2
174.03169	0.6
175.03960	0.8
177.01903	0.4
178.02699	1.2
180.04280	0.7
183.10283	1.2
187.04002	0.6
188.02315	0.4
191.05605	2.6
193.05054	3.6
226.06264	1.9
241.08733	1.8
250.06456	0.8
251.07158	9.5
252.07869	4.6
253.08618	3.2
254.09470	1.6
263.07184	0.6
265.08737	1.2
267.10309	1.1
279.06729	3.3
280.07410	8.7
281.07904	0.6
295.09766	8.0
296.10104	0.5
313.10751	1.3
324.06323	1.6
339.08820	2.8
340.09225	0.6
345.11435	0.7
345.15479	1.3
357.09805	100.0
357.15155	4.6
358.10129	9.3
686.26721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
63.96234	3.4
69.42566	8.6
71.01392	10.9
73.02931	2.5
78.95911	3.8
78.98604	9.6
79.95745	26.6
80.96524	100.0
85.02959	2.9
87.00869	3.1
93.02763	1.0
94.98101	21.0
96.96018	1.9
96.97736	1.1
97.02937	1.7
101.02470	3.0
106.98087	2.6
120.89539	1.1
122.97634	6.4
125.02447	2.3
134.97632	7.2
136.99138	2.1
148.99153	7.1
152.98619	7.8
152.99635	1.9
161.04552	1.1
164.98656	12.1
206.99669	3.0
225.00755	21.8
255.23216	3.0
295.71869	1.2
427.38272	1.3
532.85944	1.2
553.19202	1.6
638.53766	1.3
791.42468	3.8
809.43604	82.9
810.43909	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	809.434
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03441	3.4
58.00580	2.2
59.01386	54.0
61.98836	14.7
69.03498	1.3
69.24211	14.2
71.01006	2.8
71.01389	41.4
72.99320	4.9
73.02964	3.7
75.00880	5.1
81.30048	1.4
83.01408	3.6
85.02953	18.5
87.00860	2.4
88.98802	1.9
89.02456	31.0
93.98657	1.4
95.01408	6.2
96.96039	7.2
97.02962	2.0
99.00918	6.7
99.55310	1.3
99.92594	2.9
101.02454	20.6
108.65919	1.5
112.01680	2.8
113.02477	15.8
114.99757	1.3
116.92869	25.7
116.97329	1.6
117.01944	1.5
117.92847	2.7
119.03535	10.0
121.02970	2.0
126.51486	1.5
135.04556	2.0
143.03468	2.4
149.06087	2.3
157.01447	2.4
161.04565	2.0
179.05635	3.1
189.82936	1.6
191.05605	3.4
209.11861	4.1
212.57408	1.4
269.34906	1.7
336.90210	1.9
425.30585	5.4
469.32733	1.8
471.34909	2.2
525.35840	1.7
539.38141	1.8
543.03619	1.5
567.36993	2.7
585.38000	14.0
586.38232	3.2
629.37073	38.8
630.37366	7.4
663.37598	2.3
664.38220	2.4
673.56323	1.5
749.42810	4.5
809.43420	100.0
810.43646	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.00591	1.1
58.19777	0.5
59.01386	17.7
61.98834	3.3
64.47888	0.4
67.01895	1.0
68.99829	1.2
69.03461	0.5
71.01389	24.0
71.05017	0.5
71.44790	0.6
71.55597	0.5
72.33810	0.5
72.99304	1.6
73.02953	3.2
75.00878	10.0
75.29939	0.5
83.01398	2.9
85.02959	12.2
86.00109	0.6
87.00871	2.0
89.02454	7.5
92.02519	0.5
93.03468	0.7
95.01400	4.5
96.96027	2.3
99.00889	14.4
100.01367	0.6
101.01796	0.7
101.02460	9.7
111.00832	0.6
112.01752	0.5
113.02455	8.7
115.00327	0.8
119.03494	2.3
129.01971	0.8
139.00304	0.6
153.27971	0.5
157.01462	1.1
161.04541	0.6
168.32834	0.5
173.04588	0.5
191.05632	1.5
203.10835	0.5
209.11996	0.6
246.06862	0.5
282.41812	0.5
314.58615	0.5
331.08322	0.4
453.34064	0.6
469.33109	1.3
471.34528	1.5
539.37494	2.5
567.37122	0.6
585.37878	2.0
586.39020	0.6
587.39355	0.8
611.35614	0.9
629.37109	3.5
630.37634	0.7
747.42889	1.7
749.45142	4.9
750.44098	1.2
781.42828	0.5
809.43335	100.0
810.43719	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01385	46.4
61.98838	11.1
63.80183	1.8
69.35149	14.4
71.01391	28.3
72.99309	3.9
73.02950	7.4
75.00882	6.3
83.01401	6.9
85.02953	17.3
87.78830	2.0
89.02448	14.2
90.80742	1.9
93.03426	2.6
96.96025	4.9
98.19859	3.8
99.00874	3.3
100.54771	1.8
101.02452	26.1
109.49886	1.9
113.02459	8.4
116.92853	9.9
117.92874	2.5
127.04121	2.3
131.03523	28.1
173.04546	3.7
191.05614	9.2
209.11934	2.2
280.27328	2.1
301.20251	4.0
329.23373	5.2
330.58154	2.2
361.75848	2.2
397.27365	4.8
435.73331	2.1
527.74493	2.5
555.36774	4.1
617.36884	4.6
629.36182	2.2
687.41150	6.0
749.41193	100.0
750.41595	24.2
809.43274	24.5
810.42914	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	809.434
Annotation	Caryocaroside II-7
Peak:m/z	Relative Intensity
57.03204	0.4
57.03454	6.8
58.00586	0.8
59.01379	5.8
61.98823	1.2
67.01883	1.0
68.99821	0.9
69.03472	0.8
70.39261	1.3
71.01389	8.4
71.54469	0.3
72.99318	2.4
73.02956	1.9
73.56919	0.3
75.00878	31.6
76.01196	0.3
83.01388	1.6
84.02160	0.9
84.97699	0.4
85.02956	36.9
86.03311	0.7
87.00880	4.2
88.27660	0.4
89.02442	1.1
95.01395	2.8
96.96001	0.8
98.20612	0.4
99.00874	4.1
101.02469	1.7
103.00333	0.5
107.67448	0.4
111.00913	0.4
112.01673	1.1
113.02460	23.7
114.02784	0.5
115.00397	1.8
116.01170	2.0
117.01920	1.0
129.01944	1.2
135.04556	0.4
144.91776	0.3
157.01463	0.8
167.99648	0.4
175.02422	0.6
191.05588	1.0
238.29601	0.4
251.90202	0.4
325.41873	0.4
358.74985	0.4
453.33740	1.0
469.33252	1.4
471.34808	13.8
472.35153	1.6
507.68091	0.3
571.36578	0.7
585.38385	0.7
603.38733	1.8
604.39685	0.4
621.15295	0.4
631.87451	0.4
647.37854	3.0
648.38031	0.5
749.44458	0.8
809.43347	100.0
810.43695	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	809.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01389	7.0
71.01386	10.7
72.57299	0.8
72.99309	3.0
73.02949	1.3
75.00882	30.2
83.01387	1.2
84.74567	0.8
85.02959	26.2
86.14063	0.8
87.00887	4.3
94.95200	0.7
95.01395	2.1
99.00889	4.1
101.02449	1.6
111.00937	0.6
112.01673	1.1
113.01718	1.6
113.02459	17.5
115.00374	1.4
116.01126	1.3
117.38251	0.7
118.44133	0.7
122.25191	0.8
129.01955	1.5
137.69229	1.0
139.75458	0.8
157.01482	0.9
169.08682	0.9
175.02438	0.9
191.05734	0.9
242.88835	0.8
301.07059	1.1
303.12643	0.8
423.32813	1.1
433.46301	0.8
436.69113	0.9
453.33746	1.4
469.32364	0.9
471.34842	5.8
472.35330	1.1
585.37970	1.9
603.39148	1.1
631.87512	0.9
647.38342	2.8
732.03766	0.8
749.44794	14.5
750.45319	2.6
809.43384	100.0
810.43713	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	809.4352
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03460	6.6
58.00596	3.6
59.01383	56.3
61.98830	19.2
62.14435	1.1
71.01389	42.9
71.56306	2.0
72.99306	5.1
73.02932	1.4
77.07156	1.3
78.95914	1.5
83.01417	2.2
84.02194	1.5
85.02957	37.0
87.00874	2.5
89.02458	33.5
95.01353	4.2
101.02466	19.1
113.02459	33.9
119.03517	10.3
129.01952	3.5
143.03540	1.5
152.38756	1.3
157.01433	6.6
179.05571	2.0
229.98640	1.3
252.90610	1.3
309.20554	1.5
353.84570	1.3
471.34909	7.2
578.49237	1.5
585.38000	26.1
586.38171	5.7
629.36993	46.1
630.37115	10.7
749.44421	2.7
809.43335	100.0
810.43677	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	809.4336
Annotation	Caryocaroside II-7
Peak:m/z	Relative Intensity
57.03452	6.4
58.89812	0.4
59.01385	7.2
60.77000	0.5
61.98838	3.0
67.01887	1.2
68.99827	1.0
69.03448	0.5
71.01390	9.9
72.99313	4.2
73.02959	1.1
75.00881	43.1
83.01394	1.4
85.02957	35.6
86.03310	0.8
87.00883	4.4
88.60500	0.4
89.02454	1.7
91.72694	0.4
93.03469	0.6
95.01400	3.0
96.96024	1.5
98.20671	0.9
99.00893	4.0
101.02444	1.5
111.00893	0.9
113.02464	18.5
114.02769	0.8
115.00390	1.4
116.01179	2.9
116.92860	0.9
117.01951	1.9
119.03457	0.5
129.01913	1.0
157.01477	2.1
169.06798	0.5
173.04523	0.6
175.02518	0.9
191.05594	1.7
233.62120	0.4
242.97910	0.4
327.21747	2.0
348.76920	0.5
423.32410	0.5
471.34836	9.6
472.34885	2.1
485.32861	1.5
513.36023	0.7
585.37946	6.7
586.38080	1.0
593.49261	0.5
603.38947	1.1
629.37146	1.3
647.38098	7.4
648.38599	1.3
749.44525	0.8
788.73181	0.6
809.43341	100.0
810.43701	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.5
59.01113	2.0
59.01389	29.7
59.04240	1.2
60.99298	1.4
61.43001	1.1
61.98840	12.8
67.01893	3.4
68.99841	1.3
71.01010	1.9
71.01391	31.9
71.56847	1.3
72.99338	5.8
73.02946	12.7
74.02887	1.2
75.00879	26.6
81.03461	1.5
83.01387	5.2
85.02959	26.9
87.00880	8.8
89.02451	8.2
93.03470	12.5
95.01399	3.3
96.96024	6.1
99.00900	6.2
101.02454	17.9
103.04053	1.2
108.02176	1.7
109.02943	1.7
111.04518	5.7
113.02470	18.0
116.74046	1.3
116.92853	1.8
119.03509	2.3
122.03707	1.7
125.02417	2.3
131.03505	2.1
133.02948	2.5
134.03735	1.2
135.04552	9.7
137.02448	1.8
141.69618	1.5
143.03462	1.8
150.03139	2.1
151.04048	1.4
155.03499	3.6
161.02432	3.3
161.04578	5.3
165.01944	1.1
165.05548	3.8
173.04605	8.1
175.02693	1.6
177.01888	1.5
179.03494	4.0
179.05704	1.2
186.02010	23.8
187.02708	3.8
191.05626	21.8
195.06580	3.0
199.04189	1.8
201.11302	9.8
209.11931	5.6
218.04590	30.1
219.01794	1.6
219.04977	2.1
257.08298	1.3
265.10477	1.3
269.04712	2.1
297.08652	1.4
309.08777	4.8
327.09906	7.1
353.08987	1.7
355.08395	3.3
358.11758	13.1
359.12393	3.8
379.49933	1.2
397.13547	1.9
397.27356	2.2
449.14664	8.7
450.15164	1.6
565.66760	1.3
601.37610	1.8
602.37866	1.5
611.34106	1.5
647.33893	1.7
663.37451	3.0
705.38788	4.8
712.21387	5.8
747.43353	15.5
748.43585	3.3
749.44910	4.1
791.41437	2.0
809.20343	8.6
809.43256	100.0
810.21460	3.0
810.43536	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	809.4337
Annotation	Ilekudinoside J
Peak:m/z	Relative Intensity
57.03441	1.5
58.00594	3.4
59.01387	84.8
61.98837	35.8
69.68027	1.0
71.01388	53.5
71.05020	1.0
72.99310	5.8
73.02944	2.4
75.00893	2.0
78.95908	1.2
83.01376	3.5
85.02961	18.7
86.00114	1.3
87.00890	3.4
89.02457	44.7
93.03515	0.9
95.01391	8.4
95.07326	1.0
96.96037	1.8
97.02956	3.5
99.00886	2.3
101.02454	25.2
112.01696	4.8
113.02467	21.9
114.89276	1.0
119.03515	15.9
129.01967	1.2
131.03535	1.2
143.03516	2.7
149.04562	1.3
157.01427	3.8
161.04556	2.9
167.67873	1.1
179.05672	8.0
180.16365	0.9
191.05687	1.5
209.11758	1.3
253.09114	1.3
268.19308	1.0
268.22202	1.0
307.18628	1.0
471.05396	0.9
471.34988	2.3
525.35760	9.3
526.36163	1.1
543.37201	2.4
567.36969	5.0
568.37262	1.9
585.38025	32.5
586.38135	5.2
629.37012	76.4
630.37531	15.6
638.95105	1.2
749.45074	3.4
809.43372	100.0
810.43634	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	809.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
58.00587	0.9
59.01385	22.2
61.98833	5.4
67.01891	1.1
68.44162	0.5
68.99824	1.3
69.03426	0.6
71.01389	18.6
71.55177	0.6
72.99316	4.3
73.02959	1.1
75.00881	28.6
83.01387	2.1
83.05070	0.5
85.02959	25.2
86.00078	0.5
86.03277	0.8
87.00872	3.8
89.02449	11.3
93.03458	1.8
95.01394	4.8
96.96015	2.4
99.00901	3.0
101.02451	9.4
101.18116	0.5
109.68482	0.5
112.01698	0.6
113.02466	13.3
115.00368	1.4
116.01125	2.2
116.01859	0.5
116.92890	1.8
117.01993	1.0
119.03514	3.8
124.55598	0.5
125.02434	0.6
131.03453	0.7
135.04539	0.6
137.02412	0.6
142.18643	0.5
149.02441	0.6
149.76227	0.5
150.03223	0.6
155.03445	0.8
157.01378	1.6
165.01923	1.5
165.05586	0.5
173.04512	1.5
175.02441	1.0
179.03462	0.9
179.05525	0.7
180.04240	1.2
181.05077	0.6
186.01985	0.8
191.05568	4.0
195.06580	1.7
196.07341	0.9
211.09781	0.8
218.04509	0.9
225.07549	0.6
355.84976	0.6
373.14935	0.8
425.82187	0.6
449.15070	0.7
629.37042	1.2
809.43329	100.0
810.43695	19.8
811.44843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4332
Annotation	Dianoside A
Peak:m/z	Relative Intensity
57.03452	7.9
58.00581	0.8
59.01385	10.6
60.99322	0.7
61.98838	51.3
67.01900	1.6
68.05213	0.7
68.99832	1.6
69.03466	0.8
71.01386	11.8
71.56714	0.7
72.99316	5.7
73.02959	1.9
75.00881	55.8
76.01211	0.8
83.01395	3.1
83.05019	0.7
85.02961	33.9
86.03308	1.0
87.00872	4.2
89.02462	2.6
93.03454	4.7
95.01402	4.3
96.96019	5.5
97.06612	1.2
99.00886	5.2
99.83750	0.7
100.23970	0.7
101.02474	3.8
101.30241	0.7
111.04521	1.0
113.02456	16.9
115.00401	1.5
116.01199	1.1
116.64196	0.7
117.01952	1.8
129.02002	2.2
134.03712	1.0
135.04536	2.5
137.02403	1.2
150.03294	1.0
155.03566	1.0
155.09624	0.8
157.01422	0.9
160.01740	0.8
161.02489	0.8
161.04596	0.7
165.01974	0.8
173.04591	3.3
175.02451	1.1
179.03584	1.4
181.05067	0.7
186.01947	4.0
187.02727	1.7
187.07684	1.4
191.05658	10.1
191.47842	0.7
199.04271	1.1
218.04546	7.5
219.05106	0.9
231.10159	0.8
251.04274	0.8
257.08182	1.2
269.04953	0.9
275.09268	1.5
309.08939	1.8
327.09857	2.9
355.08423	1.6
358.11728	3.1
359.12442	1.9
414.70398	0.7
449.14627	2.7
450.14346	0.9
471.34769	4.7
513.35876	1.6
585.37903	5.8
586.38861	1.2
603.39240	1.0
629.37006	1.4
647.38245	15.2
648.38135	3.3
679.37195	1.3
712.21570	0.8
809.43311	100.0
810.21564	1.1
810.43640	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	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.1
58.00593	0.8
58.91476	0.5
59.01386	23.9
61.98838	5.5
67.01883	1.8
67.23521	0.4
68.99821	1.3
69.75178	2.0
69.75591	1.1
71.01387	20.7
72.99318	5.5
73.02951	1.5
75.00879	32.2
76.01201	0.5
81.14091	0.6
83.01397	2.7
85.02960	29.1
86.03259	0.5
87.00886	4.1
89.02451	11.5
93.03462	2.0
95.01402	4.5
96.96011	1.8
98.44386	0.5
99.00887	4.3
101.02452	8.6
107.65034	0.4
111.04533	0.8
112.01667	1.5
113.02462	14.7
114.02787	0.9
115.00388	1.4
116.01197	2.6
116.92855	0.9
117.01939	1.1
119.03512	3.8
123.04386	0.5
129.01930	1.2
131.03537	0.5
134.03641	0.5
135.04544	1.1
137.02440	1.0
149.02417	0.7
150.03195	0.8
157.01402	1.4
161.04587	0.6
165.01932	1.5
173.04550	1.4
175.02455	0.8
179.03581	1.0
180.04245	0.9
186.01970	1.5
187.02730	0.6
191.05623	4.9
195.06703	1.3
196.07214	0.6
218.04572	1.1
223.06219	0.5
231.21867	0.5
275.09134	0.8
327.09830	0.7
349.78186	0.5
355.08115	0.6
373.14880	0.7
449.14633	1.4
453.33997	0.6
629.36993	1.1
791.42224	1.0
809.43335	100.0
810.20801	1.1
810.43646	26.7
811.44452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4339
Annotation	Dianoside A
Peak:m/z	Relative Intensity
57.03435	5.5
58.00585	4.2
59.01385	93.1
61.98831	6.9
65.48743	1.3
67.01860	1.3
69.03476	1.5
70.07663	5.4
71.01391	60.0
72.99320	5.9
73.02950	3.5
83.01395	3.5
83.85078	1.2
85.02459	2.4
85.02960	41.3
87.00879	3.6
89.02454	52.6
95.01396	5.4
96.96003	4.7
98.20557	1.6
99.00867	1.5
101.02454	28.4
111.00924	1.7
111.60075	1.2
113.02464	38.1
113.38451	1.3
119.03500	18.4
131.03494	3.3
143.03474	4.8
149.04579	1.5
157.01465	6.4
161.04529	3.0
179.05630	8.1
191.05640	2.3
193.46736	1.5
216.03293	1.3
240.34297	1.2
369.97971	1.2
395.03604	1.5
399.81354	1.3
471.34930	8.0
513.36096	3.0
585.37952	41.1
586.38452	6.4
603.39246	1.9
629.36987	65.7
630.37262	11.7
749.31964	2.6
749.44873	42.0
750.45105	7.1
809.43304	100.0
810.43689	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	809.4336
Annotation	Dianoside A
Peak:m/z	Relative Intensity
57.03455	6.8
58.00588	0.5
59.01388	5.1
61.27650	0.4
62.21367	0.4
62.62613	0.4
67.01893	1.2
68.99802	1.1
70.86359	1.2
71.01385	8.6
71.05022	1.3
72.99314	4.4
73.02950	1.2
75.00880	52.1
76.01203	0.6
83.01385	1.6
83.14524	0.5
84.02184	0.5
85.02960	29.2
86.03288	0.8
87.00876	3.3
89.02444	1.6
93.03478	0.5
95.01391	3.6
96.96013	1.2
99.00909	2.6
101.02428	1.1
111.69690	0.4
112.01656	1.0
113.02465	14.2
115.00385	1.1
116.01122	0.9
117.01955	1.6
129.01974	1.1
134.64429	0.5
137.85976	0.4
150.06880	0.8
157.01398	1.2
163.07626	0.7
175.02475	1.1
191.05615	1.3
269.37088	0.4
398.11993	0.5
440.29886	0.5
453.33652	0.6
471.34842	0.6
535.67029	0.5
567.36920	1.7
585.37921	2.0
627.02344	0.5
629.36835	2.1
647.37958	9.2
648.38031	2.1
689.38312	0.5
809.43329	100.0
810.43689	22.8
829.90350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09702	16.9
59.01382	66.7
61.54654	16.5
61.98821	29.7
71.01376	39.4
71.54961	29.7
75.52530	18.9
96.96031	26.6
101.02422	36.6
101.16934	18.8
109.06602	27.5
116.92872	35.2
119.00282	17.2
133.79091	16.9
163.11273	18.4
187.13225	16.7
191.05768	30.1
207.10248	81.0
209.11891	100.0
223.76483	20.1
225.11331	29.6
227.12863	20.1
235.08299	22.4
253.09251	26.4
309.20880	18.9
314.22897	17.5
325.20126	28.1
327.21851	81.0
363.38840	17.3
380.77951	19.6
406.54440	19.4
494.94589	21.3
682.28754	23.7
701.33649	22.4
753.40631	27.0
771.41364	64.9
807.39978	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83365	17.9
59.01377	25.5
61.98818	54.3
71.56683	27.2
78.88556	17.7
78.95906	71.9
93.56601	18.5
96.96004	67.8
108.00194	17.9
191.05646	49.8
209.11839	100.0
253.09210	22.3
291.19724	34.2
293.21170	59.1
347.01321	19.4
481.11383	23.0
525.87329	19.1
807.42407	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
58.00593	3.7
59.01387	48.1
61.98837	6.0
71.01389	18.0
72.99326	3.4
73.02966	6.4
73.94184	1.4
78.95930	1.5
83.01385	4.2
85.02956	14.5
87.00847	1.5
89.02454	7.0
96.96020	4.0
98.19865	2.8
99.00886	2.0
101.02450	23.8
103.04008	2.6
113.02467	4.2
116.92860	3.8
131.03499	16.4
209.11861	3.5
227.13036	2.1
539.37378	5.8
583.36517	3.5
627.35223	3.5
645.36328	2.9
669.34167	1.8
685.43188	100.0
686.43616	23.1
703.44238	2.1
747.43286	11.7
748.43463	3.0
807.40472	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	807.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.6
58.00577	0.7
59.01385	15.1
61.98835	57.1
67.01886	1.1
68.99819	1.1
69.03443	0.7
69.51977	4.9
71.01387	19.0
71.05006	0.9
72.99316	6.6
73.02959	5.9
75.00877	50.2
78.95882	1.1
83.01385	3.9
85.02460	1.3
85.02956	20.9
87.00872	4.2
89.02435	3.2
93.03455	2.0
95.01389	3.2
96.96017	7.8
97.06567	1.1
99.00874	5.8
101.02451	10.7
103.00375	0.7
111.00851	1.2
112.01652	0.7
113.02456	11.0
115.00386	1.1
116.01154	2.2
116.92861	2.6
117.01955	1.8
125.02441	1.2
129.01933	1.8
135.04515	1.5
137.02475	0.8
138.03192	0.8
157.01430	1.3
173.04483	1.3
175.02493	0.7
176.01152	1.0
177.01851	1.2
181.05099	1.7
191.05617	5.2
193.05067	0.8
195.06650	1.1
207.06725	1.0
208.03824	0.8
212.72299	0.7
223.06105	0.9
225.07677	0.9
313.46469	0.7
362.30676	0.7
469.29730	0.9
733.08881	0.8
757.33215	0.8
765.74188	1.1
807.38214	100.0
808.22772	1.5
808.38422	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	807.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.9
58.00599	5.2
59.01387	100.0
60.01727	1.6
61.98842	3.7
69.33318	2.1
69.33742	3.4
71.01391	71.0
72.01735	1.0
72.99321	7.0
73.02950	1.5
75.00871	1.9
83.01404	2.6
85.02959	14.1
87.00881	5.0
88.98802	1.1
89.02456	90.4
90.02809	1.2
93.03509	0.9
95.01402	6.0
96.96012	1.7
101.02460	29.2
109.02985	0.7
111.84916	0.6
113.02464	26.2
116.92877	0.8
119.03515	30.3
125.02449	1.6
131.03506	4.0
135.04495	0.8
136.41200	0.7
137.02519	0.6
143.03534	8.0
149.02423	2.8
149.04550	2.9
150.03175	2.7
151.04004	1.0
161.04578	8.0
162.03195	1.2
164.04735	1.0
165.05554	2.0
173.04469	1.4
174.03175	1.3
177.03590	0.6
177.05656	1.2
179.05629	31.5
179.07190	1.6
181.05064	0.8
188.07214	0.7
191.05621	4.3
195.06581	1.1
207.06639	0.7
209.08325	0.7
285.11108	1.0
298.12570	0.7
311.84454	0.8
329.10110	1.3
343.15228	1.1
344.12485	0.9
359.14786	2.4
360.15100	1.0
371.15125	3.3
389.15994	0.8
482.35367	0.9
507.20078	2.1
537.13666	0.9
537.21344	16.9
538.21075	2.1
567.21722	2.4
570.49695	0.8
807.39496	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	807.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.1
58.00609	4.4
59.01387	100.0
61.98840	3.3
66.79861	0.8
69.71503	2.6
69.71922	2.7
71.01387	68.9
72.01742	1.0
72.99309	5.8
73.02966	1.3
74.60599	0.8
75.00877	1.1
77.20030	0.7
83.01387	2.5
84.02153	1.0
85.02970	14.4
85.22037	0.7
87.00872	6.5
89.02455	90.5
90.02799	1.2
93.03473	1.6
95.01398	4.6
96.96024	2.3
101.02454	27.5
113.02461	24.0
116.92882	1.3
119.03506	33.6
125.02466	0.9
131.03513	5.0
135.04602	1.0
137.61707	0.8
143.03510	7.8
149.02466	2.9
149.04596	4.3
150.03203	3.1
161.04556	11.3
164.04697	1.0
165.05589	3.1
173.04611	1.5
175.06348	0.9
175.49149	0.8
177.01933	1.1
179.05629	34.7
180.04239	1.0
191.05638	3.0
191.80336	1.0
195.06619	2.7
239.01588	0.8
297.11804	0.9
327.12418	1.0
328.13272	1.0
331.41272	0.9
338.98059	1.3
359.15002	2.8
371.15048	1.6
476.43466	0.9
482.35925	1.2
507.20282	1.3
537.21277	17.1
538.21594	2.6
567.22540	2.9
807.40393	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	805.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39097	0.7
59.01383	3.1
61.98827	2.1
66.95930	3.0
71.01392	2.0
71.55939	0.6
76.18314	0.5
78.91890	1.0
78.95906	1.7
80.91689	1.9
80.96513	1.1
82.95423	70.5
84.00909	1.1
85.02957	0.5
89.02448	2.3
96.96912	0.6
99.53806	0.5
101.02462	2.9
113.02453	0.9
117.42467	0.6
119.03538	0.6
161.04567	1.4
179.14386	0.7
182.34833	0.6
195.13921	8.4
196.14439	0.8
205.12358	0.7
223.13416	5.3
228.13647	0.9
253.09312	13.9
254.09653	0.9
256.13135	1.3
275.20248	5.4
277.21606	1.3
293.21249	100.0
294.21542	9.8
365.89413	0.7
370.27054	0.7
400.86545	0.7
529.30188	1.2
569.42035	1.1
805.40259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.3
61.60440	0.8
61.98818	1.2
64.31348	1.0
67.01885	1.4
71.01385	3.8
77.09740	1.1
85.02960	2.2
89.02441	2.9
93.03480	2.0
95.01409	1.8
96.96011	2.2
101.02444	3.0
109.02957	4.0
113.02434	1.0
116.92851	1.2
121.02985	1.2
123.00894	2.8
123.04523	0.8
125.02488	1.3
135.04538	2.3
136.01625	1.4
136.05292	3.5
137.02443	25.1
138.03198	1.6
139.00391	1.5
139.03989	1.0
139.98840	0.9
149.02455	1.7
149.06038	1.7
150.03224	3.2
151.00375	13.7
151.04022	6.4
152.01109	1.6
152.04788	2.4
153.01932	1.3
153.05600	1.2
157.08746	1.6
161.02505	1.3
164.04784	1.0
165.01936	100.0
165.05551	4.6
165.09221	1.9
166.02730	35.2
167.03426	3.6
175.04088	2.4
177.01932	3.6
177.05562	2.3
179.03500	23.1
179.07069	1.0
180.04294	63.8
181.05077	47.7
181.06372	0.6
182.05406	2.7
184.03763	1.4
187.04001	1.8
190.06367	1.3
191.05661	6.9
192.04306	1.8
193.05017	2.4
194.05826	4.0
195.06630	81.6
196.06941	4.5
203.03371	1.3
204.04193	1.2
205.05072	6.0
207.06555	2.8
209.08151	1.0
209.11812	0.9
210.05360	12.9
211.05658	1.3
218.05815	2.6
219.06587	1.0
220.07454	4.8
221.08159	1.1
225.07692	64.0
226.08067	3.8
227.06985	1.0
233.08215	1.9
251.09091	1.6
322.00189	0.8
327.99210	0.9
359.11270	1.4
364.39804	1.1
367.96201	1.0
371.11441	1.5
372.12115	1.1
384.12064	1.0
387.10284	6.1
387.15350	5.6
402.12964	4.4
403.13925	2.0
416.14685	4.1
417.15546	61.4
418.15955	7.1
480.34930	1.1
481.35431	5.7
482.35715	1.6
565.17670	2.7
595.21881	61.0
596.22516	11.1
613.22754	1.2
625.23077	1.2
643.23987	36.1
643.40692	3.1
644.24390	7.3
693.47003	1.4
702.61743	1.0
805.28662	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	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97981	1.0
57.03447	1.7
59.01390	9.5
61.98838	18.6
67.01881	1.7
71.01388	5.9
72.70222	1.0
72.99316	1.4
73.02946	1.8
85.02950	4.5
87.00843	1.7
88.98756	1.1
89.02459	7.4
92.40382	1.0
92.44569	1.2
93.03458	4.5
95.01388	4.6
96.96025	12.0
97.02960	1.3
101.02443	4.4
109.02943	4.6
110.00100	1.3
111.00893	1.7
113.02434	2.8
116.92897	1.7
119.03506	2.4
119.05003	1.2
121.02942	2.3
123.00886	7.2
124.01598	2.1
124.52589	1.0
125.02437	3.5
127.00347	1.4
135.04517	2.6
136.05324	1.1
137.01479	1.5
137.02461	21.9
137.99591	1.6
138.03186	3.4
139.00360	4.4
139.03999	4.2
145.02988	1.6
147.04465	4.3
149.02475	2.6
149.06044	1.3
150.03238	1.7
151.00381	18.1
151.03975	3.2
153.01984	5.9
153.05574	5.3
155.00894	1.1
159.04550	3.0
160.01521	1.3
161.02422	3.5
162.03180	3.1
163.03958	3.7
164.01169	1.5
165.01945	93.3
165.05547	3.2
166.02734	41.9
167.03424	3.2
168.04298	2.3
173.04582	1.4
174.03203	2.1
175.04005	3.6
176.01097	3.0
176.04782	1.9
177.01961	9.5
177.05594	6.6
178.02766	2.7
179.03529	16.9
179.07030	1.1
180.04298	54.5
181.05077	61.6
182.05466	3.2
189.01932	1.6
190.02730	2.7
191.03502	8.0
191.05598	16.0
192.04320	11.1
192.05943	1.8
193.05013	4.8
194.05803	4.8
195.06642	82.0
196.06993	2.9
201.11081	1.1
203.03500	13.8
205.05132	5.4
207.06624	14.8
208.06819	1.4
209.08336	1.3
210.05363	12.7
218.05824	14.9
219.06477	3.7
220.03781	1.4
221.04518	4.1
223.06177	4.0
225.07698	97.0
226.08133	5.1
233.08171	15.6
234.08583	1.5
235.06166	1.7
236.06921	11.2
249.07751	2.0
251.09259	19.5
252.09674	1.7
325.07178	1.5
343.08301	1.3
357.09808	2.1
358.10291	2.8
372.12027	1.3
373.12958	8.9
374.13083	1.8
385.12848	3.1
387.10736	3.7
387.15073	5.5
402.13254	1.6
403.14386	1.5
416.55850	1.2
417.15781	22.3
418.11844	1.8
418.16483	1.8
431.13406	1.6
433.14981	3.3
481.35471	2.7
595.21796	4.9
613.22748	1.9
643.23975	100.0
644.24298	19.0
787.25330	1.7
805.29028	20.4
805.41779	1.6
806.29956	5.5
813.15009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
61.98837	4.2
65.68753	0.9
68.99580	1.9
71.01404	6.6
73.02949	2.1
75.60131	0.8
78.95925	1.4
85.02968	7.0
87.00874	1.7
87.94415	0.9
89.02473	1.3
96.96021	18.7
98.19875	1.9
99.00901	0.9
101.02451	5.1
111.04542	1.0
112.98589	2.0
113.02454	2.6
121.06609	1.9
122.03742	1.8
123.04523	1.0
126.90474	1.0
128.90179	12.0
129.01968	8.4
131.03540	1.2
135.04524	2.7
136.05319	48.7
137.05676	1.3
147.08173	1.2
148.05321	4.0
149.06099	19.9
150.06850	2.9
162.06879	4.0
163.07687	4.5
164.08450	6.5
165.09216	19.1
191.05626	1.5
209.11775	1.7
213.45157	0.9
267.23358	3.9
268.99051	1.0
313.23840	8.5
415.31955	1.3
416.33020	1.5
418.30862	7.2
432.32355	5.0
433.33240	28.3
434.33377	5.3
459.30838	1.4
460.31854	1.4
461.32675	5.0
477.32391	1.1
478.33063	6.2
479.33792	38.5
480.34229	5.5
556.62012	1.0
623.38007	2.1
635.38043	1.0
639.24579	1.0
641.39001	16.0
642.39325	1.9
803.44397	100.0
804.44781	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61286	3.6
59.01377	16.6
61.98831	11.4
62.00844	3.7
66.90246	3.8
70.54983	4.8
70.55314	9.7
71.01382	16.6
71.07873	3.3
73.02934	6.2
73.39558	3.6
80.21638	3.5
85.02965	7.6
87.00879	4.2
89.02446	5.4
96.96008	28.4
101.02430	11.7
118.83234	3.8
136.44531	4.9
150.84428	3.8
188.10155	3.9
191.05588	13.6
207.10040	4.4
225.11206	6.5
489.45688	4.8
625.97491	4.4
766.44312	5.4
767.49445	48.9
768.49677	7.6
803.47156	100.0
804.47748	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	804.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67236	0.2
61.98835	100.0
65.66859	0.2
70.01616	0.2
71.01393	0.2
78.30163	0.2
78.95918	0.5
80.96526	1.6
94.98112	0.3
100.34827	0.2
209.11964	0.5
225.00775	0.4
229.49344	0.3
238.53345	0.2
283.22855	0.4
311.90656	0.2
313.70175	0.2
804.39905	0.5
805.39978	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	802.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98547	0.1
70.16871	0.1
73.42955	0.1
78.95924	0.2
79.95752	0.5
80.96527	0.4
94.98132	0.1
98.20686	0.2
106.98705	0.1
171.03680	0.1
207.10371	0.2
209.11951	0.3
225.00708	0.2
229.28969	0.2
277.21771	0.7
278.22198	0.2
289.18112	0.2
414.69580	0.2
441.55130	0.1
662.38239	0.2
803.39246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46625	0.1
59.01387	1.1
59.96908	0.1
60.96690	0.1
61.98832	0.7
68.99567	0.4
71.01379	0.9
71.56389	0.2
72.70283	0.1
75.00877	0.2
78.95480	0.3
78.95911	3.3
79.40166	0.2
79.95744	3.4
80.63459	0.2
82.95415	0.2
83.01391	0.2
85.02954	0.5
87.00888	0.2
89.02458	0.5
93.03440	0.2
95.97619	0.1
96.96022	100.0
96.96905	3.9
97.39047	0.1
97.45413	0.1
97.95953	0.4
98.95594	0.1
101.02454	0.6
111.43404	0.1
112.98569	0.5
113.02417	0.3
116.92786	0.2
129.04657	0.1
131.03548	0.1
135.04492	0.1
142.46761	0.1
173.04561	0.3
179.03459	0.1
191.05606	0.6
201.12791	0.1
209.11862	0.2
221.56027	0.1
232.42448	0.1
258.33380	0.1
269.84198	0.1
322.23062	0.2
566.48309	0.1
648.39203	0.2
767.45239	0.3
786.72510	0.1
803.42761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.3
61.98836	100.0
63.42694	0.2
69.27153	2.0
75.37480	0.2
76.37630	0.3
78.91917	0.5
78.95930	0.6
79.95759	0.8
80.96535	1.0
96.15941	0.3
96.96020	0.4
100.21017	0.3
111.60069	0.3
144.49712	0.3
160.42963	0.3
162.84029	0.2
186.52208	0.3
209.12093	0.4
225.00914	0.3
277.21832	1.0
279.23587	0.3
285.72983	0.3
306.17667	0.3
435.32635	0.3
622.75342	0.3
803.40424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.1
61.35800	0.1
61.98833	100.0
62.38432	0.1
62.98539	0.2
70.76092	0.4
74.50105	0.1
78.95912	0.4
80.96523	0.4
83.06020	0.2
85.02992	0.2
93.03503	0.3
96.97468	0.2
135.04507	0.2
140.79443	0.2
169.01474	0.2
191.05627	0.9
191.27455	0.1
209.11906	0.1
225.00885	0.1
237.98184	0.2
293.21295	0.2
321.11105	0.1
334.28287	0.1
467.34543	0.1
787.14044	0.2
802.38245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.62588	0.2
71.55581	0.3
78.95905	0.6
79.95744	0.4
80.96527	1.2
96.96035	0.3
104.25765	0.2
152.99655	0.2
173.12584	0.2
184.77020	0.2
191.05629	0.3
263.53928	0.2
291.80344	0.2
381.01050	0.2
641.56458	0.2
785.38800	0.4
803.39026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.5
61.98832	2.9
70.68285	5.5
71.01388	13.8
72.99311	1.9
73.02940	5.0
83.01395	2.3
85.02946	7.7
89.02428	5.3
91.80770	1.6
92.00173	1.8
94.71122	1.9
95.01402	1.8
96.95979	3.8
101.02429	8.2
113.02441	6.2
115.92651	2.1
119.03489	2.3
131.03476	2.0
191.05595	4.4
261.12930	2.1
268.88879	1.9
471.34988	2.1
508.07501	1.7
603.39130	10.0
619.22473	2.3
765.44330	100.0
766.44763	23.4
801.41864	85.7
802.42249	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66340	0.7
57.03444	1.2
57.11163	0.7
59.01385	7.3
61.52324	0.6
61.98838	5.0
68.99590	0.7
69.36949	2.4
69.37369	2.7
71.01382	7.6
73.02934	1.9
75.00916	1.3
81.03448	0.7
83.05059	0.8
85.02956	7.8
85.28230	0.6
87.00884	2.0
93.03470	6.5
96.96013	8.7
99.04510	1.1
101.02439	4.2
101.88995	0.6
107.48087	0.8
109.02959	2.0
111.04548	1.4
112.98592	1.0
113.02463	3.2
116.92883	2.3
119.03520	0.8
121.02935	1.1
121.06610	1.2
122.03730	0.8
127.04055	1.0
129.85403	0.6
133.02995	1.8
134.03773	1.4
135.04524	6.8
136.05310	100.0
137.02414	1.3
137.05626	4.1
146.03735	0.7
147.04524	1.6
148.05313	4.9
149.06081	7.5
150.06879	1.0
150.28180	0.7
155.03452	0.9
159.04538	1.4
161.02437	1.4
162.06894	8.9
163.07683	8.0
173.02313	0.7
173.04555	4.8
174.03203	1.2
174.06926	1.0
175.04045	0.7
179.03491	2.7
180.03995	0.7
185.11903	1.3
189.09145	0.8
191.05630	27.9
192.05974	1.7
211.07668	0.8
215.12837	0.9
223.07375	0.9
237.05698	1.1
239.07161	0.7
241.05211	0.8
249.05679	1.4
250.06337	1.0
265.05045	1.1
266.05856	2.5
267.06631	4.6
268.07407	3.0
269.08191	1.1
271.09918	0.9
277.05295	1.6
293.04590	4.9
294.05356	9.7
295.06085	8.0
296.06796	2.5
300.22498	0.6
311.05667	1.9
312.06308	2.5
313.23761	6.1
321.04086	1.1
322.04868	5.3
323.05368	1.0
338.04498	1.3
339.05225	3.7
340.05786	0.9
351.07108	1.1
354.03897	1.2
435.10623	2.2
458.30310	1.4
459.31207	8.0
460.31607	0.9
468.10349	1.1
475.30655	1.6
476.31488	4.1
477.32214	34.1
478.32547	3.9
485.11136	0.8
486.11682	2.8
491.33951	1.2
512.09656	15.7
513.09863	3.3
519.33508	0.8
609.16016	3.7
621.34973	1.2
639.37524	22.7
640.38281	3.5
660.34857	0.8
663.37952	2.7
704.15973	4.5
721.42090	1.3
765.44324	6.8
766.44653	1.6
779.45709	2.1
801.43054	56.0
802.43304	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.4
61.98825	6.2
71.01381	9.5
71.53897	4.7
73.02943	2.7
78.95915	3.9
87.00858	3.0
93.03456	3.7
96.95991	10.8
101.02439	11.0
110.59000	2.5
113.02430	3.6
135.22850	2.9
140.20731	3.2
180.99083	2.9
191.05656	13.9
327.85089	3.2
471.34854	10.7
475.74292	2.6
603.38947	11.6
765.44305	60.3
766.44958	11.0
801.42017	100.0
802.42310	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36217	1.3
59.01381	15.3
59.42673	1.3
61.98841	13.3
66.05598	1.6
68.99536	1.4
70.59458	3.0
70.59835	3.5
71.01394	14.4
73.02934	4.9
78.95897	1.8
83.01365	2.1
89.02425	6.7
89.53540	1.5
96.96012	3.6
98.42673	1.8
101.02459	10.5
113.02439	5.0
131.03522	1.7
138.29642	1.7
138.96234	1.6
141.74576	2.0
150.29472	1.7
157.38455	1.5
173.86957	1.4
191.05588	2.4
217.81856	1.7
603.38995	2.7
610.64246	1.7
741.45361	1.9
765.44324	100.0
766.44550	16.3
801.41943	78.7
802.42810	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
57.98467	0.6
58.44122	0.7
59.01377	8.1
60.99301	1.4
61.98831	1.0
65.03977	0.6
66.74176	0.6
67.01890	1.7
69.82100	1.2
69.82491	2.0
71.01385	6.0
72.99325	0.8
73.02943	1.6
77.03983	0.8
81.03444	1.3
83.05048	1.1
83.78192	0.7
85.02951	6.8
89.02468	4.9
89.03980	1.1
93.03461	23.1
94.03770	1.0
95.05026	4.5
96.96021	3.0
99.04518	1.9
101.02462	3.1
105.03465	14.2
107.05045	1.4
109.02950	7.5
111.04531	6.0
113.02462	1.8
119.03499	1.1
119.05016	0.9
121.02921	1.4
123.04539	2.6
127.04030	1.8
129.07542	0.8
132.02132	0.8
133.02965	100.0
134.03815	6.6
135.04532	15.7
137.02472	4.6
147.04533	1.4
149.02464	1.2
150.03204	1.7
151.04012	1.4
155.03500	3.0
159.04486	1.8
161.02473	1.9
161.06085	4.5
166.02647	0.7
173.04561	22.0
173.06061	1.2
175.03993	1.5
177.01939	36.4
178.02681	8.8
179.03490	6.5
187.07761	0.9
191.05614	43.2
192.05913	2.7
199.07732	0.8
201.01933	1.0
207.13960	2.7
213.09312	0.9
215.05563	13.6
219.03011	4.1
227.10718	0.7
251.12874	7.1
297.18625	4.8
307.08279	3.1
337.09265	1.2
341.17569	1.7
347.09274	1.0
351.07208	37.1
352.07593	2.4
367.10495	1.3
385.16702	2.0
429.15540	9.4
430.15765	1.0
431.19254	2.3
435.10980	2.7
436.11328	1.1
567.75018	0.8
603.21075	3.1
609.23383	13.3
610.22809	1.4
783.27209	58.4
784.27631	11.9
801.27435	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83404	3.0
55.95480	3.3
59.01392	7.9
61.81477	3.2
61.98836	50.3
71.01401	9.2
71.56012	3.9
73.02963	3.1
77.73112	3.3
85.02948	6.2
94.67516	4.2
96.96019	12.3
101.02457	5.7
121.02971	4.3
162.83904	20.3
164.83549	7.9
209.11876	4.7
219.84059	3.0
257.90869	4.2
332.23425	3.5
420.25009	4.0
455.35352	30.5
691.44696	3.9
763.46362	100.0
764.46661	20.6
799.44110	87.9
800.44818	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	800.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80362	0.2
61.98835	100.0
69.38740	1.1
78.95923	0.3
85.02972	0.3
90.81156	0.2
150.19754	0.2
181.67589	0.2
189.69032	0.2
191.05638	0.9
193.51457	0.2
275.19482	0.2
327.51294	0.2
475.88092	0.2
578.64447	0.2
608.36975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01382	7.8
71.01391	7.4
71.17665	0.7
71.17991	1.2
73.02937	1.2
83.01392	2.3
83.05041	0.9
85.02940	1.1
87.00880	2.0
93.03474	1.6
96.96019	4.7
96.99342	0.8
100.96385	0.7
101.02438	1.3
107.05072	3.1
108.02166	2.8
109.02954	4.3
115.00378	5.1
116.92793	0.6
120.05807	1.2
121.02971	2.0
122.03743	2.8
123.04535	2.0
124.01669	2.2
132.49095	0.6
133.02986	6.2
134.03745	6.4
135.04533	1.6
136.05286	0.9
137.02444	1.1
145.03003	1.1
146.03783	3.5
147.04521	9.3
147.08211	1.0
148.05324	6.3
149.06073	1.5
151.03978	1.0
152.04861	0.9
158.03725	1.0
159.04507	2.7
160.05289	3.5
161.06081	4.1
161.09738	6.0
161.13339	1.2
162.06854	1.8
163.03990	0.8
163.11310	1.5
173.06087	1.2
175.07628	1.1
177.05556	0.8
178.02692	1.4
187.11307	4.2
189.05511	0.8
189.09265	2.9
191.05585	1.1
191.07150	1.2
193.05138	2.9
205.12332	1.3
207.06673	1.4
213.05527	2.1
237.05479	0.7
240.04390	1.3
241.05080	14.0
241.08766	1.3
242.05484	1.2
249.11433	0.7
251.07118	1.4
252.07939	1.4
253.04988	1.4
253.08556	0.6
254.05836	2.1
255.06616	2.0
256.07397	9.7
257.08057	0.8
267.06592	3.6
268.07422	7.7
269.08194	16.0
270.08719	2.7
271.09808	8.7
272.06900	1.7
272.10104	0.9
281.08185	1.5
282.08951	3.3
283.09775	11.6
284.10562	22.5
285.11072	3.5
287.09326	1.0
295.06165	1.3
297.11343	5.6
298.08633	1.0
298.11673	1.1
299.09518	1.1
299.12881	9.7
300.13086	0.7
309.07889	1.1
310.08490	1.5
313.10852	2.7
325.10812	2.4
337.03387	0.7
343.11978	1.2
387.10864	2.4
411.16843	1.0
467.12549	0.6
549.16345	2.1
605.80750	0.6
665.18750	0.6
683.27057	1.1
737.28430	2.2
739.26367	1.5
755.28442	0.7
781.27319	1.6
799.28271	100.0
800.28534	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	798.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
65.35033	0.2
66.86150	0.3
68.27689	0.3
69.44910	1.7
78.95927	0.6
91.26200	0.3
96.96021	0.6
98.20724	0.5
107.96204	0.2
152.14839	0.3
191.05762	0.4
209.11874	0.4
291.19614	0.3
471.35657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01386	18.0
61.98821	3.7
67.01888	1.5
69.57893	1.1
71.01393	16.4
73.02942	3.3
78.95933	1.3
83.01392	3.8
85.02460	1.1
85.02917	6.3
87.00871	4.1
89.02428	6.4
93.03474	7.4
93.03955	1.2
96.96026	23.0
101.02453	6.4
103.15285	1.3
107.05048	2.2
108.02188	3.6
109.02982	8.0
111.00871	2.0
111.04519	2.3
113.02444	2.8
115.00381	7.0
121.02992	2.5
122.03742	2.2
123.04543	4.6
124.01645	3.6
125.02394	1.5
131.03493	1.9
133.02977	13.1
134.03790	9.5
135.04558	6.2
136.05318	4.8
137.02461	2.8
143.03648	1.4
145.02974	1.6
146.03687	2.1
147.04553	9.7
148.05415	6.3
149.02493	1.8
149.06075	4.3
150.03195	1.3
151.03984	2.0
154.02730	1.6
159.04517	4.1
160.05290	2.8
161.06050	3.0
161.09724	4.6
162.06877	2.1
163.03951	2.1
172.08928	1.2
173.04555	5.0
173.06068	1.5
175.07509	1.4
178.02756	1.8
179.03470	1.5
187.11296	5.4
189.09143	3.9
191.05666	11.8
193.05051	5.7
205.12271	4.5
207.10385	1.7
214.36891	1.2
216.41588	1.4
223.06093	4.2
225.07462	1.7
229.32448	1.4
241.05032	14.2
242.05450	1.7
251.07150	2.3
255.06650	1.7
256.07376	11.3
267.06598	3.8
268.07489	9.3
269.08218	17.3
270.08969	2.5
271.09790	9.6
272.07031	2.7
282.09024	4.5
283.09756	10.3
284.10522	23.2
285.11200	2.9
293.08463	1.4
297.11392	7.1
298.08472	1.8
298.11896	1.4
299.09723	1.7
299.12888	7.9
310.08408	2.3
313.10675	3.5
325.10760	2.9
343.11911	1.6
387.10791	6.9
475.30634	4.2
549.16217	5.0
579.69110	1.7
637.35980	3.4
737.27991	4.1
739.26276	2.8
781.27393	1.8
798.43561	2.8
799.28302	100.0
799.41931	11.5
800.28497	23.8
800.41211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86686	4.0
59.01391	20.2
71.01391	9.2
71.28785	3.7
72.99313	4.7
75.00860	5.4
78.95911	5.6
85.02955	12.9
96.95982	8.9
98.19766	7.2
101.02442	11.6
124.56434	3.6
129.56615	5.0
131.03487	9.0
137.01311	3.9
171.74052	4.0
191.05650	6.1
290.76260	3.9
300.46915	4.7
465.97385	5.2
471.34915	7.9
603.39618	5.0
647.38153	16.4
720.43909	4.9
735.43317	100.0
736.43817	22.2
749.44800	97.3
750.44934	16.0
795.45770	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	797.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01384	1.9
60.99307	0.6
67.01891	4.2
69.03461	0.9
70.06212	1.0
71.01389	3.1
81.03457	1.1
82.00291	0.3
83.05050	0.8
85.02956	1.1
86.03413	0.3
87.00880	1.3
89.02458	0.6
93.03465	28.1
94.03810	1.2
96.96017	1.1
99.04552	0.5
101.02472	0.4
109.02980	1.0
111.00897	1.3
111.04532	4.7
113.02457	0.5
115.04003	0.5
119.05035	11.0
120.05331	0.5
127.04015	0.7
131.38002	0.3
131.47763	0.3
135.04501	0.8
137.02454	4.8
149.02576	0.5
149.16386	0.3
150.03259	0.4
155.03479	3.6
163.04019	18.1
164.04384	0.8
165.05614	0.3
173.04556	100.0
174.04906	3.7
191.05624	12.4
192.06017	0.7
238.99843	0.3
308.46658	0.3
337.09299	37.1
338.09586	3.9
339.05191	0.3
370.79160	0.3
432.80478	0.3
605.15704	0.4
631.02588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62136	1.4
59.01382	8.9
61.98832	8.0
62.47974	1.4
67.10199	1.2
71.01401	9.3
71.56573	1.9
73.02940	2.5
75.00831	1.4
81.51077	1.3
85.02953	7.3
89.02415	4.2
96.96031	8.4
101.02465	7.0
113.02435	5.0
115.02352	1.4
119.03490	3.2
152.12344	1.5
154.26392	1.5
161.04498	3.2
179.05573	2.0
244.23306	1.3
456.41565	1.7
623.24786	2.8
635.02039	1.7
761.41467	7.7
797.38696	100.0
798.39154	24.5
825.36108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.0
61.98819	0.6
63.96241	2.0
69.17778	1.1
69.18182	4.8
71.01391	11.4
72.99311	0.6
73.02958	1.6
78.98595	8.0
79.95744	16.0
80.96525	96.9
81.03458	1.5
82.96110	0.7
85.02956	4.8
87.00896	4.2
94.98094	21.9
95.01408	0.5
96.96028	1.9
97.02962	2.0
98.20814	0.8
99.00878	1.0
99.04539	0.5
101.02412	3.2
106.98103	3.7
122.97590	4.8
125.02452	3.7
127.04017	0.6
134.97600	5.4
136.99191	1.7
143.68431	0.5
146.97620	0.6
148.99159	8.1
152.98648	7.9
152.99762	0.7
164.98642	13.8
188.98621	0.7
191.05649	0.9
206.99722	3.5
209.11894	2.2
225.00758	25.5
226.01166	1.0
255.23274	2.2
293.20294	0.5
509.17001	0.6
537.27539	1.3
541.19769	3.3
640.06604	0.5
765.41382	1.0
781.57562	0.5
797.43628	100.0
798.43890	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	795.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	9.5
61.98839	3.5
71.01390	8.3
71.55424	1.9
78.95911	1.9
85.02972	3.0
89.02451	4.9
89.04014	1.5
96.96023	9.9
99.13652	1.5
101.02438	3.9
113.02463	3.7
121.02948	2.0
133.02960	9.5
134.03749	8.9
135.04541	100.0
136.04874	3.9
137.02498	2.2
147.04524	3.4
148.05324	12.0
161.02470	33.2
179.03523	61.0
179.51192	1.6
180.03870	2.1
191.05618	6.1
262.35861	1.4
308.49374	1.7
398.16769	1.8
453.33740	6.4
505.83652	1.7
571.38965	2.1
615.38232	4.7
633.37988	91.9
634.38330	17.1
705.32477	2.1
718.89484	1.8
735.43542	4.2
736.43610	1.8
795.43463	73.5
796.43701	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
59.24456	0.1
71.01385	0.2
71.19714	0.1
73.02952	0.9
85.02970	0.2
89.02452	0.1
93.03484	0.1
96.18055	0.1
96.96027	0.1
97.93152	0.1
98.19773	0.1
99.00885	0.2
99.92597	9.7
100.92599	0.5
101.02498	0.1
110.35021	0.1
113.02454	0.1
114.93456	0.5
116.92874	100.0
117.01942	1.5
117.92884	5.9
119.05031	0.1
126.55165	0.1
135.04546	0.2
163.04045	0.2
173.04536	0.3
179.03482	0.2
191.05611	0.5
193.44926	0.1
195.06705	0.1
275.34946	0.1
284.37802	0.1
337.09402	0.2
338.09604	0.1
347.68311	0.1
353.08963	0.1
396.10864	0.1
499.12170	0.1
680.02869	0.1
681.04669	0.1
730.98718	0.1
795.29248	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4543
Annotation	Jujubasaponin VI
Peak:m/z	Relative Intensity
57.03434	1.3
57.10637	0.3
58.00579	1.3
59.01384	17.5
60.01710	0.3
61.98819	1.3
66.08329	0.3
68.20306	0.3
69.03451	0.8
71.01386	17.3
71.05019	0.6
72.99317	2.3
73.02948	6.2
73.19305	0.3
75.00860	1.2
83.01385	2.7
85.02457	0.6
85.02957	10.1
86.00097	1.0
86.03268	0.4
87.00873	3.1
87.04527	0.7
88.98824	1.5
89.02457	4.8
95.01389	1.4
97.02983	0.5
99.00883	1.7
101.02448	10.7
101.03114	0.7
103.04000	1.0
113.02446	6.5
115.03999	0.6
119.03486	1.1
119.06361	0.3
125.02438	0.8
129.01884	0.5
131.03496	1.1
143.03503	1.5
159.02940	0.3
161.04570	1.2
205.07106	0.7
328.91199	0.4
391.29901	0.3
427.32330	0.4
437.30310	0.4
439.32169	0.7
455.31940	0.6
469.33542	3.5
470.33780	0.6
485.32547	0.4
487.34305	16.4
488.34586	2.1
613.37939	0.4
631.38580	3.7
632.39001	0.4
649.39514	15.7
649.92126	0.4
650.39703	2.8
663.37146	0.6
664.37970	0.4
795.45380	100.0
796.45709	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	795.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.1
58.00586	3.9
58.41876	1.5
59.01384	64.1
59.45634	1.4
60.01686	2.4
61.96436	1.5
61.98830	9.8
71.01015	2.4
71.01385	43.5
71.55342	1.4
72.99287	3.5
73.02950	2.7
78.95890	5.8
83.01372	3.6
85.02469	2.3
85.02959	38.2
87.00885	1.8
89.01940	2.5
89.02451	35.3
95.01353	4.9
96.95976	5.0
101.02454	23.8
113.02456	37.2
119.03514	12.0
131.03563	1.7
137.76923	1.6
145.29764	1.5
148.58226	1.6
152.99617	1.5
157.01382	4.9
161.04578	1.9
167.54889	1.5
173.04602	1.5
179.05608	4.4
191.05627	10.0
211.07030	1.5
240.40276	1.5
389.03400	1.6
447.33408	1.8
457.33115	6.1
481.66241	1.7
499.34222	2.9
571.36536	26.3
572.36688	5.7
615.35364	59.1
616.36084	9.8
619.08728	1.6
795.41772	100.0
796.42078	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
58.75090	1.1
59.01387	19.2
60.99313	18.5
61.98826	4.8
67.98364	1.0
69.49912	8.3
71.01389	20.8
72.99306	3.2
73.02958	2.7
75.00880	27.8
78.95905	2.5
83.01389	3.2
85.02965	25.2
87.00882	5.0
88.00431	1.6
88.98817	100.0
89.02450	15.8
93.03439	1.3
95.01392	2.4
96.96014	6.8
98.20676	2.1
99.00884	5.1
101.02454	8.5
106.82782	1.3
113.02470	14.0
116.92880	1.6
129.15355	1.3
131.03479	2.6
135.04494	1.4
135.19661	1.3
148.44008	1.2
157.01492	1.9
161.04597	2.1
173.04593	2.2
181.42097	1.1
182.68799	1.1
191.05638	4.8
195.06580	1.9
209.11819	4.1
248.29431	1.1
251.67470	1.2
263.12830	2.9
439.31943	2.0
457.32928	6.9
553.65527	1.3
571.36505	7.5
589.38019	1.4
633.36847	6.2
645.36407	1.8
733.41632	3.8
735.42523	2.3
795.41913	87.9
796.42267	21.0
809.43744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
58.00623	1.7
59.01385	40.1
60.99308	1.2
61.98837	10.6
71.01388	36.9
71.05016	18.0
71.55992	1.6
72.99316	3.9
73.02948	6.5
75.00875	4.7
77.76302	1.1
78.95905	1.5
83.01400	5.6
85.02962	16.8
87.00880	4.4
88.98810	3.9
89.02452	16.7
93.03471	5.7
95.01418	2.9
96.96019	22.7
96.96941	1.7
99.00864	2.6
99.04533	1.9
101.01807	1.7
101.02463	22.5
108.02153	2.1
109.02936	3.1
111.04505	1.8
113.02460	13.3
115.00412	2.0
116.92869	3.1
119.03516	2.5
122.03694	1.5
123.00863	1.3
125.02464	1.5
125.09791	1.6
131.03548	5.7
133.02988	2.2
134.03772	2.8
135.04549	3.7
137.02412	1.7
146.03749	1.4
147.04610	1.9
148.05280	2.0
149.04518	1.6
149.06059	1.7
150.03166	1.8
160.05267	1.2
161.06050	1.4
164.04713	1.5
165.05624	2.0
166.02751	1.2
173.04601	3.0
179.03593	2.4
181.05078	2.8
191.05641	9.7
193.05048	1.9
195.06644	1.7
196.07359	1.9
197.07863	1.6
201.12888	1.8
204.11751	1.2
209.08176	1.6
209.11903	1.8
211.09752	5.2
211.25157	1.1
213.05449	1.7
241.05104	8.8
242.05453	2.0
256.07416	7.2
257.07825	1.4
268.07376	2.8
269.08112	3.2
271.09711	7.6
281.07996	1.3
283.09778	3.9
284.10437	5.8
285.07623	1.7
297.11310	1.5
299.12952	3.4
327.57474	1.3
331.11636	1.2
353.24789	1.5
385.27640	3.7
439.31918	1.6
517.31390	1.4
571.36230	1.9
615.35284	3.3
633.35321	3.1
733.40405	1.9
777.40680	11.5
778.40753	2.2
795.28339	23.4
795.41821	100.0
796.28754	8.5
796.42188	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.9
61.98833	6.0
65.22620	2.4
65.85149	2.5
70.75979	5.7
71.01365	3.8
71.04981	2.4
72.61777	2.4
78.95911	22.7
79.70578	2.6
80.96516	4.3
83.01377	3.2
85.02960	6.0
93.89821	2.6
96.95989	3.2
101.02440	4.9
103.41666	2.3
152.99687	13.1
160.84235	19.1
171.10310	3.1
183.73207	2.7
191.05614	16.8
207.10269	2.8
209.11934	3.6
221.11789	2.9
221.51578	2.5
253.09329	3.2
291.19748	3.1
293.21021	4.2
308.29718	2.7
396.57095	2.9
455.35269	23.0
548.96564	2.5
722.27539	4.3
733.45428	100.0
734.45654	24.2
793.42224	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	794.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
59.58515	0.4
61.98836	100.0
71.01395	1.3
71.55968	0.4
73.02952	2.4
78.95921	0.9
79.95742	0.5
85.03006	0.5
96.03503	0.3
96.96021	18.7
99.00879	0.6
99.92596	4.5
100.92604	1.7
101.02453	0.6
113.02509	0.4
116.92875	37.6
116.97263	9.6
117.01955	4.2
117.92883	11.8
117.97662	0.7
118.02280	0.5
118.92675	1.6
118.94157	0.4
118.96968	5.2
119.03535	0.7
146.17638	0.4
165.90140	0.3
191.05670	1.3
209.54329	0.3
230.98595	0.3
277.21866	1.1
336.17996	0.8
337.17407	0.6
346.34943	0.4
352.91318	0.4
358.07932	0.3
371.48843	0.4
397.16910	3.9
415.14621	0.5
535.09198	1.9
734.45184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4428
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01380	1.4
59.90080	1.0
60.51544	1.0
63.96224	2.2
69.37508	5.0
69.37949	4.1
71.01392	9.2
73.02953	1.4
78.95912	6.1
78.98609	7.9
79.95748	18.7
80.96527	93.7
82.96072	1.4
85.02955	5.4
87.00861	5.0
94.98101	21.4
95.01428	1.1
97.02930	1.8
98.20419	4.3
99.92593	5.6
101.02439	2.6
106.98055	4.1
122.97609	5.4
125.02421	3.3
134.97601	5.6
136.99127	1.5
145.23141	1.2
148.58760	1.0
148.99118	7.4
152.98587	6.5
152.99655	2.3
164.98671	13.6
171.10194	1.6
196.89464	1.6
206.99660	2.9
209.11765	3.0
225.00754	22.0
255.23317	5.3
283.26434	1.6
327.21750	3.4
362.48074	1.2
406.98141	1.3
438.29117	1.2
509.16916	2.0
512.52161	1.4
565.30414	2.5
793.44019	100.0
794.44293	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.4
71.01391	10.2
71.19408	1.9
73.02954	3.4
78.95914	3.0
78.98591	7.6
79.95741	15.3
80.96523	83.9
82.96083	2.9
85.02961	3.5
87.00880	4.3
89.52451	0.9
94.98091	18.1
96.96021	2.2
97.02919	1.2
99.67686	0.9
101.02444	4.0
104.75481	1.0
106.98082	4.3
122.97585	5.0
125.02423	3.7
129.44373	0.9
134.97601	5.6
148.99136	6.7
152.98630	6.4
162.41714	0.9
164.97359	1.1
164.98642	15.1
179.67436	0.9
206.99638	2.5
225.00748	22.0
226.00897	1.3
250.36961	1.0
255.23349	1.4
265.75827	1.2
277.95956	1.0
283.26410	2.1
359.78864	1.1
472.43289	1.1
509.16965	1.9
565.30249	1.3
793.43994	100.0
794.44373	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	793.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85700	0.4
55.90007	0.4
57.03451	2.9
57.33041	0.4
58.00585	1.5
59.01384	14.4
61.98837	3.2
67.01864	0.5
68.99815	1.4
69.03461	1.3
71.01014	0.9
71.01392	15.4
71.03333	0.4
71.03693	0.8
72.99308	1.6
73.02946	3.3
75.00883	11.3
78.95906	0.6
83.01388	1.8
83.72234	0.4
85.02460	0.8
85.02959	14.2
86.00102	0.9
87.00863	1.2
88.98830	0.7
89.02451	2.2
93.03459	1.2
95.01394	1.6
96.96032	2.8
99.00894	13.6
101.02440	2.8
103.04030	0.9
108.02182	0.8
111.04477	0.4
111.17855	0.5
112.01623	0.6
113.02455	7.9
116.92844	1.1
119.03519	0.7
125.02460	1.0
127.04030	0.7
129.01941	0.5
133.02933	0.5
135.04527	2.1
139.61380	0.4
151.00359	1.1
152.99585	0.5
157.01413	0.8
161.02499	0.8
163.33006	0.4
173.04568	1.1
177.01987	0.7
178.79379	0.4
179.03537	1.4
191.05627	3.1
195.06659	0.5
207.29256	0.5
246.83452	0.4
270.47733	0.5
353.08780	1.5
372.12518	0.6
383.81848	0.5
469.33234	0.9
471.34760	6.1
472.35065	1.0
499.29187	0.6
513.35773	1.2
515.11737	0.5
539.37238	0.6
553.35455	1.4
585.38275	4.7
600.91986	0.6
629.37231	2.2
749.43384	0.6
793.43817	100.0
794.44122	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	793.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.2
58.00591	1.7
59.01385	34.9
61.98830	2.2
69.03455	1.5
71.01389	54.7
71.56805	0.6
72.99309	3.5
73.02956	22.9
75.00873	1.9
81.03478	0.9
81.68887	0.4
83.01393	10.2
85.02960	36.4
86.00135	1.5
87.00883	5.9
87.04511	1.9
89.02447	7.4
95.01400	5.2
96.96033	2.4
97.02943	1.7
99.00901	8.0
99.92570	1.4
100.92572	0.6
101.02452	37.4
101.92433	0.7
102.02798	0.7
103.03992	2.8
109.02982	0.5
111.00912	1.1
113.02465	22.3
115.04008	1.3
116.92885	13.1
117.01940	0.7
117.92131	0.6
117.92885	5.6
118.92664	3.6
118.93436	0.6
119.03485	1.8
125.02441	2.3
129.01973	1.6
131.03511	1.9
135.04521	0.6
143.03519	3.1
145.05092	0.7
159.02985	3.2
161.04568	12.5
163.06082	1.8
191.05626	1.7
205.03537	0.7
205.07143	0.9
209.11784	0.6
310.45425	0.5
357.37637	0.6
382.78070	0.5
397.27512	3.3
398.27649	0.8
407.29694	0.6
444.17883	0.6
559.32813	1.8
567.37476	0.6
585.37933	7.5
586.38470	2.1
615.27954	0.5
617.37036	1.5
629.36993	3.7
630.37189	1.0
631.34784	0.5
647.37976	10.8
648.38544	3.0
705.37805	0.6
731.43817	17.4
732.44080	3.5
749.43958	0.7
775.42426	7.1
776.43036	1.5
793.43884	100.0
794.44214	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4384
Annotation	Impatienoside A
Peak:m/z	Relative Intensity
55.42285	1.2
57.03433	3.6
58.00585	4.5
58.24358	1.2
59.01383	100.0
60.01699	1.6
65.33639	1.3
68.99814	1.7
69.95551	2.7
69.95935	3.2
71.01386	53.3
72.01685	1.3
72.99308	6.1
73.02969	1.5
83.01379	3.0
85.02960	18.3
87.00836	1.6
89.02448	49.4
92.62925	1.2
95.01395	7.9
97.02955	5.1
101.02457	23.6
104.60022	1.4
107.93641	1.5
112.01678	6.0
113.02451	20.2
119.03505	17.8
129.01862	2.6
130.07756	1.1
131.03476	1.7
143.03482	3.6
144.30473	1.3
157.01419	2.9
164.48203	1.3
179.05553	8.3
193.10803	1.5
205.43658	1.2
300.64578	1.7
308.72604	1.5
311.33066	1.5
453.33658	2.8
455.35257	4.9
497.35953	3.6
509.36343	13.7
510.36444	4.2
527.37292	1.7
547.40424	1.3
569.38464	41.1
570.38763	5.4
592.36292	1.4
613.27362	3.1
613.37494	91.1
614.37665	17.8
793.43762	98.4
794.31110	2.5
794.44196	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	793.4386
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03448	1.8
57.64040	0.5
58.00603	1.8
59.01388	34.5
60.32207	0.5
61.25697	0.5
61.98825	1.6
67.01866	0.7
68.99800	0.7
69.03465	0.6
69.31683	1.9
69.32104	2.7
71.01389	27.5
72.01738	0.8
72.99311	3.9
73.02950	2.2
75.00875	7.6
76.44435	0.6
78.95919	1.0
83.01413	2.8
85.02962	12.7
87.00899	1.7
89.02457	18.7
95.01411	7.1
96.96014	0.6
97.02950	2.1
99.00883	8.0
101.02457	14.3
111.00854	0.6
112.01657	2.4
113.02468	10.0
115.00362	0.9
119.03514	6.5
129.01895	0.7
131.03534	0.5
139.00317	1.2
143.03484	1.0
157.01463	1.5
161.04503	1.2
179.05640	1.4
191.05640	1.5
209.11871	1.9
218.42630	0.6
309.20715	1.2
453.33990	3.7
454.34268	0.7
455.35437	4.4
497.36606	2.0
509.36307	2.4
537.35748	1.1
551.37311	0.9
569.38525	17.3
570.38489	2.9
587.39905	0.8
596.66016	0.6
613.37561	29.2
614.38129	5.5
733.42163	0.7
793.43823	100.0
794.44189	24.7
799.94800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92538	1.4
57.03454	2.5
59.01389	9.3
64.72257	1.2
71.01381	11.0
73.02956	3.4
75.00882	8.9
83.01385	2.0
85.02941	10.1
89.02447	1.7
95.01370	2.3
99.00881	14.9
113.02452	6.0
164.51241	1.4
398.13562	1.3
659.41693	1.7
731.43915	3.4
793.43829	100.0
794.44250	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.3
58.00596	0.6
59.01385	12.3
60.17622	0.4
61.98826	1.6
67.01872	0.4
68.99825	1.0
69.03457	1.3
70.60193	1.0
70.60568	1.0
71.01392	12.1
71.05025	1.5
72.99310	1.5
73.02645	0.3
73.02958	3.5
75.00881	9.6
83.01408	2.1
83.05067	0.5
84.02145	0.5
85.02959	11.7
87.00871	0.8
89.02451	2.8
95.01389	2.2
96.96008	0.9
99.00889	14.7
101.02443	1.9
103.04032	0.6
106.25010	0.4
113.02460	6.6
114.23345	0.5
115.00406	0.6
116.92841	0.9
119.03488	0.7
122.89911	0.5
133.24324	0.4
135.04469	0.5
140.02406	0.5
157.01413	1.5
191.05652	0.8
427.35852	0.5
431.44293	0.4
453.33701	0.8
469.33487	1.3
471.34723	1.9
539.37341	0.7
551.98810	0.5
585.38080	0.6
613.34039	0.7
619.38348	0.7
629.37238	0.9
655.30890	0.4
659.41064	0.9
731.43762	2.0
749.45172	0.5
793.43823	100.0
794.44214	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58353	1.0
59.01381	15.9
61.98823	2.0
66.21992	1.0
70.78807	1.9
71.01386	26.6
73.02942	2.5
78.95896	3.0
82.16235	1.1
85.02961	1.9
87.00880	1.3
88.24525	0.9
89.02445	3.4
90.58881	0.9
95.65477	1.0
97.02949	2.5
99.00881	3.9
101.02452	3.9
109.06602	4.6
113.02457	2.4
119.03506	0.9
125.09727	3.4
127.11274	3.2
135.08157	1.1
152.99629	1.1
153.09183	1.0
155.10785	2.1
161.04538	3.0
163.11296	4.1
163.63506	0.9
171.10283	26.9
172.10625	1.1
179.05534	1.1
181.08730	2.2
181.12323	2.7
189.09193	1.0
191.05646	1.8
197.11795	1.1
199.09773	25.6
199.13463	5.2
200.10077	1.3
201.11334	31.7
202.11703	1.7
207.10292	18.8
208.10645	1.2
215.12912	1.8
218.56415	0.9
220.41371	1.0
223.09715	1.6
225.11372	23.7
235.08174	7.2
243.12360	3.5
253.09250	12.8
277.21744	100.0
278.22043	11.3
317.93134	0.9
409.47333	1.0
417.17630	1.9
435.18689	4.2
441.30014	1.2
443.19012	2.1
461.20221	7.2
479.21252	2.4
513.30792	1.6
695.39758	5.2
696.39532	1.3
721.41333	7.5
722.41748	2.0
723.65497	0.9
739.42651	6.0
740.43805	1.4
757.43964	12.5
758.44415	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	793.4383
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03459	1.7
58.00580	1.1
59.01384	12.7
61.98828	1.1
68.90956	0.3
68.99806	1.3
69.03447	1.2
71.01388	12.2
71.05019	1.5
72.99313	1.0
73.02962	3.0
75.00876	10.9
83.01395	2.1
83.05024	0.8
85.02958	11.6
86.26218	0.3
87.00877	1.1
87.09884	0.4
88.78478	0.4
89.02454	1.5
95.01400	2.3
98.00069	0.4
99.00887	16.4
101.02438	1.3
113.02451	5.8
115.00387	0.6
157.01418	1.3
169.74643	0.4
191.05592	0.5
448.22269	0.4
453.33795	1.2
469.33240	1.0
471.34818	2.5
472.35492	0.4
513.36420	0.4
539.37103	0.5
553.35571	0.8
577.19763	0.4
585.37988	1.2
603.39313	0.5
611.35699	0.4
629.36975	1.2
659.41583	1.2
663.05652	0.4
731.43774	2.8
749.44861	0.6
793.43835	100.0
794.44189	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	793.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.3
59.46855	2.6
61.98842	6.1
63.08789	2.4
67.48256	2.3
69.38432	10.8
69.38864	8.0
71.01391	35.8
73.02957	3.8
78.95940	4.4
85.02988	3.0
87.00885	2.7
89.02436	6.0
93.03561	2.7
95.99818	2.6
99.00928	3.4
101.02435	9.0
104.26470	2.1
109.06612	4.5
110.44152	2.4
113.02468	3.6
118.06945	2.3
125.09744	7.1
127.11326	2.9
143.87132	2.3
146.75171	2.3
155.10788	4.7
161.04591	2.9
163.11281	3.0
171.10287	47.8
181.08783	3.0
181.12350	7.3
191.05605	4.4
196.64554	3.0
199.09775	34.0
199.13426	7.9
201.11337	84.6
202.11671	5.2
207.10298	23.1
225.11320	32.0
235.08211	3.3
243.12383	8.2
253.09315	20.7
274.98730	2.5
277.21741	100.0
278.22055	7.4
435.18723	6.6
461.20413	13.1
479.21426	3.6
695.39862	5.8
721.41656	8.6
739.42474	15.4
740.42804	4.4
757.43970	32.0
758.43927	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	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73085	1.5
59.01384	18.6
61.98840	2.1
69.92125	1.4
70.80556	1.5
71.01389	16.6
73.02935	2.6
78.95918	2.6
85.02940	3.2
87.00877	2.6
89.02453	2.4
91.52077	1.4
96.96025	1.7
99.00837	2.2
101.02445	4.3
109.06592	2.8
113.02500	2.7
161.04514	2.3
163.11259	4.2
171.10266	16.0
181.12344	5.0
199.09758	9.0
199.13356	4.6
201.11343	25.3
207.10271	10.5
225.11356	16.6
229.06421	2.0
235.08217	9.0
253.09416	11.4
276.36343	1.7
277.21738	100.0
278.21997	7.7
339.08490	1.8
417.17865	2.0
461.20178	1.8
495.39432	1.8
497.22079	2.0
662.56177	1.8
684.17786	1.8
695.40283	3.8
703.38867	1.9
721.41272	6.4
739.42896	9.3
740.43652	2.2
757.43585	14.3
758.44562	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	793.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
59.01389	7.6
61.98834	5.5
62.06505	0.5
64.87104	0.5
68.99836	1.1
69.75621	0.5
71.01383	13.6
72.99301	4.4
73.02955	1.9
75.00879	29.2
81.03450	0.7
83.01394	1.5
83.05027	1.0
84.02176	0.6
85.02958	20.4
87.00887	4.5
88.98820	0.8
89.02448	3.2
93.03470	4.2
95.01379	2.6
96.95998	2.7
99.00890	4.3
101.02448	2.5
103.00387	0.7
107.04983	0.6
109.02998	0.7
111.00881	0.7
113.02460	13.4
115.00340	1.6
116.01194	4.3
116.92876	1.0
117.01969	1.5
125.02446	1.4
129.01945	1.0
131.03517	0.6
135.04562	1.4
137.02458	0.9
157.01413	0.9
161.02443	1.2
173.04578	7.3
179.03516	0.8
191.05643	3.3
207.10323	0.7
209.08096	0.8
209.11790	1.1
230.51064	0.7
329.23483	0.6
403.53223	0.6
437.30566	7.2
438.30945	1.1
455.31720	12.3
456.32001	2.3
471.34634	0.8
497.32346	1.0
551.33643	1.7
569.35089	3.4
585.37738	1.0
587.35583	2.1
595.34259	0.8
599.35449	0.9
631.34869	7.2
632.34778	1.4
749.45349	0.7
755.94434	0.7
793.40430	100.0
794.40771	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	793.4019
Annotation	Penicilloside A
Peak:m/z	Relative Intensity
57.03460	5.2
59.01383	9.8
61.61098	0.8
61.98842	4.4
62.58165	0.8
67.01884	1.9
68.99830	1.1
69.03429	1.5
71.01011	1.1
71.01385	15.1
72.99020	0.6
72.99316	7.2
73.02946	2.5
75.00877	57.4
83.01366	1.6
83.05025	2.0
85.02954	24.6
87.00888	6.1
87.06879	0.7
88.91824	0.7
88.98819	1.3
89.02449	3.9
93.03450	0.8
95.01392	4.2
96.96014	4.3
98.19864	1.6
98.83640	0.6
99.00871	4.3
101.02444	3.9
103.00357	1.1
111.00864	1.2
112.01611	1.0
113.02456	12.6
115.00369	2.5
116.01167	1.5
116.92850	1.0
117.01939	3.1
129.01959	1.1
132.55424	0.8
135.04535	2.5
141.35965	0.7
153.40804	0.8
154.57686	0.7
157.01405	2.1
173.04518	1.7
179.03452	1.3
181.05008	1.1
191.05612	5.2
287.05527	1.0
300.09940	1.1
345.22925	1.2
374.67438	0.8
391.30164	3.9
392.06815	0.8
393.31754	1.9
425.30609	1.6
425.48087	0.7
435.29080	2.4
437.30621	11.9
438.30594	1.2
451.32129	1.1
455.31671	1.9
469.29565	1.7
551.33917	1.6
613.33850	8.8
614.33936	2.0
631.34949	44.4
632.35345	7.7
673.36273	5.3
674.35742	1.4
757.42035	8.1
758.42609	1.1
793.40186	100.0
794.40625	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	793.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.2
59.01383	9.8
61.61098	0.8
61.98842	4.4
62.58165	0.8
67.01884	1.9
68.99830	1.1
69.03429	1.5
71.01011	1.1
71.01385	15.1
72.99020	0.6
72.99316	7.2
73.02946	2.5
75.00877	57.4
83.01366	1.6
83.05025	2.0
85.02954	24.6
87.00888	6.1
87.06879	0.7
88.91824	0.7
88.98819	1.3
89.02449	3.9
93.03450	0.8
95.01392	4.2
96.96014	4.3
98.19864	1.6
98.83640	0.6
99.00871	4.3
101.02444	3.9
103.00357	1.1
111.00864	1.2
112.01611	1.0
113.02456	12.6
115.00369	2.5
116.01167	1.5
116.92850	1.0
117.01939	3.1
129.01959	1.1
132.55424	0.8
135.04535	2.5
141.35965	0.7
153.40804	0.8
154.57686	0.7
157.01405	2.1
173.04518	1.7
179.03452	1.3
181.05008	1.1
191.05612	5.2
287.05527	1.0
300.09940	1.1
345.22925	1.2
374.67438	0.8
391.30164	3.9
392.06815	0.8
393.31754	1.9
425.30609	1.6
425.48087	0.7
435.29080	2.4
437.30621	11.9
438.30594	1.2
451.32129	1.1
455.31671	1.9
469.29565	1.7
551.33917	1.6
613.33850	8.8
614.33936	2.0
631.34949	44.4
632.35345	7.7
673.36273	5.3
674.35742	1.4
757.42035	8.1
758.42609	1.1
793.40186	100.0
794.40625	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	793.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
58.00591	3.6
59.01387	73.2
61.98832	12.2
71.01393	53.3
71.55437	3.3
72.99297	8.4
75.00869	3.4
78.95907	2.6
83.01367	5.5
85.02956	22.0
87.00885	3.0
89.02453	32.9
93.03465	4.4
95.01375	8.7
96.96002	7.9
99.00877	6.6
100.69491	2.3
101.02462	25.0
111.00880	2.4
112.01686	5.0
113.02453	19.8
119.03537	17.1
135.04527	2.7
143.03481	3.0
173.04468	6.3
179.05664	4.5
191.05591	13.7
209.11847	4.3
264.26224	2.2
280.85687	2.4
294.24701	2.0
316.29156	2.2
437.30627	2.6
455.31384	3.4
497.32407	3.8
509.32251	6.8
569.34735	51.0
570.35016	9.6
613.33899	61.0
614.33655	9.2
733.41797	5.3
793.41278	100.0
794.41571	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83438	10.8
61.98826	14.9
69.88654	53.2
73.76264	11.1
78.95909	79.3
88.35970	11.5
121.01538	10.5
137.28404	9.1
152.99614	37.4
205.42690	11.0
209.11842	100.0
223.54153	12.1
227.13045	12.2
240.56424	11.2
267.02942	11.4
277.21756	96.3
445.20648	10.4
479.23941	12.3
569.10681	13.0
583.85339	11.0
791.42896	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.0
59.01391	12.4
61.95190	1.0
61.98835	10.0
68.44897	1.1
68.99563	1.3
71.01389	6.6
72.99326	1.3
73.02957	2.6
78.95914	5.2
82.60448	1.1
83.01400	1.2
85.02947	4.4
85.87498	1.2
86.00080	1.3
89.02475	2.5
96.96015	1.4
97.93130	2.8
98.20724	1.9
101.02435	4.7
108.74310	1.0
108.75613	1.0
112.98600	1.8
113.02475	1.3
114.44067	1.0
114.93430	21.9
115.00392	3.4
115.03974	1.5
117.65542	1.1
124.55285	1.2
131.03481	4.2
142.37480	1.2
154.37837	1.1
171.10298	1.6
197.11815	1.7
207.10196	5.0
209.11879	1.8
225.11316	3.3
229.06984	1.5
253.09367	2.3
291.19662	2.1
293.21121	3.5
309.20654	2.7
322.86588	1.3
397.13489	2.0
453.33734	3.9
585.38000	2.9
711.39410	2.0
731.43860	100.0
732.44128	22.8
737.40692	1.4
791.40674	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	791.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
59.10429	1.3
63.96230	1.7
70.28748	5.0
71.01385	10.1
73.02948	1.5
75.57761	1.2
78.36053	1.3
78.95898	2.7
78.98588	7.6
79.95746	18.6
80.96526	93.0
83.01347	1.2
85.02949	3.6
87.00879	2.8
94.98105	22.5
96.96057	1.4
101.02421	2.8
104.36251	1.3
106.98079	4.4
108.11069	1.4
110.31790	1.3
111.24802	1.2
122.97609	6.0
125.02457	3.6
127.04039	1.4
134.97586	7.6
136.99117	2.5
139.50272	1.2
148.99142	7.7
152.98653	7.9
164.98639	14.4
206.99615	3.7
225.00760	24.2
283.26462	2.3
293.21146	1.3
338.75781	1.6
426.06448	1.4
435.06921	1.4
507.15445	3.4
782.36792	1.3
791.42609	100.0
792.42621	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03455	6.3
58.08871	0.4
59.01385	5.0
61.98819	1.9
64.83817	0.4
67.01872	1.3
67.34412	0.4
68.99812	1.2
69.03436	0.6
71.01388	8.2
71.54637	0.7
72.99318	3.7
73.02940	1.3
73.13741	0.4
75.00879	46.7
83.01374	1.5
85.02959	29.0
86.03251	0.7
87.00887	2.8
89.02437	0.9
93.03462	0.5
95.01393	3.8
96.96005	1.7
99.00886	3.4
99.92570	1.4
101.02417	1.0
111.00906	0.7
112.01678	0.9
113.02451	12.2
114.02782	0.5
115.00362	1.2
116.92875	10.0
117.01947	2.1
117.92877	1.1
126.54398	0.4
129.01932	1.2
133.02858	0.6
135.04504	0.5
143.56894	0.4
157.01376	0.9
161.02426	0.9
173.04517	0.6
175.02435	0.9
191.05608	1.1
209.11795	1.1
292.61206	0.5
340.86270	0.4
380.65417	0.5
449.14346	0.6
453.33676	2.7
454.34195	0.7
507.34659	0.6
567.36841	3.6
568.37317	1.1
585.38519	0.7
611.35925	0.6
629.36993	7.6
630.37360	1.5
791.42267	100.0
792.42596	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64090	2.1
58.96326	2.2
59.01381	10.3
61.98824	5.0
70.28194	7.8
70.28556	3.9
71.01388	15.1
73.02952	2.5
78.95907	15.2
83.05029	5.4
85.02965	4.0
89.02460	5.6
96.96014	4.3
101.02474	5.8
109.06573	14.6
111.08215	3.7
113.02432	4.0
121.40218	2.5
136.65024	2.8
152.99609	7.9
161.04541	3.1
163.11296	8.9
171.10291	7.6
181.12340	2.8
185.11888	3.3
191.05753	2.4
195.13933	7.6
207.10284	51.9
208.10519	2.6
209.11841	76.9
210.12184	4.7
223.13329	3.2
225.11308	27.9
227.12938	17.0
235.08220	6.5
253.09328	20.7
271.92462	2.8
275.20172	5.8
291.19687	100.0
292.19992	7.0
293.21249	49.4
294.21613	4.2
307.19061	3.3
316.62350	2.2
461.20358	13.4
527.28821	3.7
705.32727	7.2
706.67908	2.6
731.43573	5.1
737.41260	11.7
738.42188	4.7
791.39862	4.2
792.40887	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	791.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50147	3.7
59.01373	27.5
61.15164	4.3
61.98822	16.8
68.00307	3.8
70.18008	12.1
70.18395	7.4
71.01382	16.1
77.09298	3.3
78.95876	5.1
85.02966	6.5
89.02448	6.6
93.82311	3.9
96.96008	12.4
98.20616	5.4
101.02433	7.8
131.03511	7.1
146.86647	3.8
160.94118	3.3
166.40179	4.1
170.18546	3.3
197.11845	15.4
209.11850	100.0
210.12175	6.9
227.12885	25.7
235.08183	6.0
253.09242	21.4
291.19724	13.3
309.20755	92.6
310.21091	7.4
445.20901	5.6
507.31787	4.2
529.87695	4.2
545.29883	9.2
749.44452	28.1
750.45367	19.1
760.93787	11.2
761.44287	13.6
791.40265	55.5
792.39832	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	789.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
61.09825	0.9
63.96236	1.9
69.55325	1.5
69.55745	5.1
71.01387	9.9
73.02940	1.8
78.95915	3.5
78.98588	7.3
79.95746	14.0
80.96526	86.4
81.03459	1.4
85.02962	3.2
86.67941	0.9
87.00876	3.1
94.98095	18.5
96.96016	1.5
97.02933	1.2
101.02427	2.6
106.98098	2.8
119.68526	1.0
122.97572	4.3
125.02446	3.9
134.97610	4.9
136.18335	0.9
136.99144	1.7
148.99130	6.7
152.98634	6.7
152.99707	1.3
164.98648	13.2
165.98901	1.1
166.64607	1.1
178.37508	0.8
201.46695	0.9
206.99689	2.8
225.00751	24.0
255.23381	2.2
277.21625	1.8
333.07968	1.0
357.11182	0.9
422.26184	1.0
507.15332	1.7
563.29095	1.0
789.41064	100.0
790.41339	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	791.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77583	1.3
59.01385	13.5
61.98843	6.7
62.12289	1.3
66.78481	1.3
69.46731	3.8
69.47147	6.2
71.01390	11.3
72.99330	1.9
73.02963	2.9
75.00872	6.5
78.95909	1.8
82.19460	1.2
84.92311	1.5
85.02956	6.6
87.00871	2.1
88.98822	2.9
89.02461	8.0
93.03479	10.4
95.01413	1.7
95.05040	1.9
96.96032	5.6
101.02463	5.6
108.02178	3.5
109.02972	2.8
111.04484	1.3
113.02511	3.7
116.92875	1.6
121.02969	10.5
122.02895	1.9
122.03753	17.3
123.00928	2.1
123.04574	2.2
124.01675	2.4
131.03560	1.8
131.62631	1.3
132.02193	1.8
133.02969	4.7
134.03751	9.6
135.04532	5.2
136.01680	6.7
137.02469	9.2
139.00372	1.3
145.02957	12.6
146.03740	10.2
147.04468	2.7
148.01709	4.6
149.02461	38.3
149.06067	6.7
150.03239	100.0
151.00366	3.5
151.04012	13.6
152.01251	2.0
153.01889	1.7
153.05634	3.9
154.02745	1.3
161.02451	8.1
161.06084	5.2
162.03241	13.1
163.03952	4.7
164.04826	9.0
165.05585	91.4
166.02734	12.0
166.05945	3.4
167.03511	4.4
173.04546	4.1
175.04012	2.3
177.01942	1.8
177.05600	13.5
178.02682	2.4
179.03590	7.0
179.05678	2.2
179.07129	15.2
180.04259	5.9
181.05074	16.5
187.04048	1.9
189.02081	1.5
191.03697	2.2
191.05635	8.1
193.04987	1.7
195.06647	42.0
196.06953	2.8
205.05063	4.5
209.11902	2.2
219.06624	3.5
220.07310	3.0
275.09366	2.5
341.10638	2.8
354.33691	1.3
416.14444	3.9
417.15735	6.7
447.22479	2.1
448.22623	2.1
449.14594	3.4
455.75040	3.0
536.27283	6.0
536.77655	6.3
537.27582	3.5
551.19208	3.2
565.21033	12.5
566.21136	1.9
577.21130	3.0
595.21918	23.4
596.22253	4.1
649.22968	1.5
713.25458	2.5
714.25366	1.7
725.26178	6.1
743.26959	18.6
744.27826	5.5
746.21588	1.5
773.27405	2.4
791.37921	13.8
792.39471	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	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	25.0
61.98825	33.3
71.01376	24.2
71.72183	7.6
78.95916	31.9
82.36452	6.9
85.02915	10.9
96.96023	60.9
98.20677	17.7
99.94011	10.0
101.02468	14.3
109.06597	16.8
125.02464	9.3
157.12399	11.4
171.10223	8.3
191.05577	14.3
197.11833	15.1
207.10255	62.8
209.11839	18.5
213.16777	7.6
225.11354	35.1
235.08183	9.3
253.09303	28.3
291.19635	23.1
309.20618	100.0
370.02667	8.3
443.19196	8.3
455.35233	13.4
461.20337	13.2
683.34418	78.3
684.34875	21.4
733.44366	9.1
753.41266	48.1
789.38202	46.1
790.39862	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	16.5
61.98817	41.7
70.85555	20.7
71.01387	28.7
75.00291	10.5
78.95927	49.0
85.02935	18.7
96.96007	28.0
96.96983	13.1
103.32037	10.4
106.86897	10.6
109.06566	20.1
152.99635	19.9
163.11345	17.6
171.10280	17.1
191.05656	31.0
197.11783	19.3
207.10262	89.6
209.11832	100.0
225.11380	39.4
227.12869	13.7
235.08214	17.9
253.09322	42.9
289.18051	18.3
291.19595	24.2
307.19269	49.3
309.20700	91.1
443.18771	15.8
444.44379	11.2
461.20200	18.6
482.79077	10.7
753.40649	55.6
754.41058	14.5
789.38495	47.1
790.38623	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	787.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
61.98840	16.1
67.98640	3.0
69.19337	3.4
71.01378	17.1
78.95904	31.2
85.02950	11.5
87.00871	5.3
93.03441	17.0
96.96030	4.3
96.97002	3.2
101.02445	3.8
109.06565	6.2
111.04564	5.5
127.03999	3.8
135.04533	5.9
152.99579	11.0
163.11264	3.7
171.10271	6.8
173.04491	11.7
174.04758	3.6
179.03427	3.4
181.72978	3.5
191.05611	100.0
192.06017	10.4
205.83759	3.4
207.10312	18.1
209.11794	22.3
211.13423	5.4
225.11327	13.3
229.10452	4.4
253.09245	9.8
289.18088	14.8
291.19635	14.8
293.04611	3.5
293.21173	15.2
294.05228	6.0
307.19250	8.4
461.20297	10.1
751.39093	11.8
787.34918	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	789.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48051	0.6
59.01383	3.7
61.11664	0.6
61.98828	1.0
70.11562	0.6
71.01401	3.9
71.55135	1.0
73.02964	0.7
73.27879	0.7
83.01402	0.6
85.02961	2.1
85.66101	0.7
89.02455	3.1
93.03461	1.0
96.96011	4.0
101.02469	1.4
108.02150	1.0
109.02955	3.8
113.02462	1.5
116.92886	1.8
123.00089	0.7
123.00864	3.4
123.04484	0.7
124.01643	1.7
125.02447	1.3
135.04504	1.6
135.14206	0.6
136.01704	0.9
136.05397	1.3
137.02473	10.1
138.03244	1.3
138.31844	0.7
139.04045	2.4
139.72462	0.7
145.02893	0.8
149.02454	2.1
149.06142	1.0
150.03249	1.7
151.00383	19.1
151.04021	3.3
152.01117	2.0
152.04796	3.1
153.01901	0.9
153.05589	0.9
159.04491	1.0
161.02490	1.2
161.04602	0.9
163.04001	1.0
165.02007	1.3
166.02731	75.7
166.41888	0.7
167.03447	4.7
175.04063	3.7
176.04752	2.0
177.01923	3.7
177.05507	1.4
179.03555	1.4
179.05670	0.7
181.05083	95.2
182.05359	4.0
187.04092	0.9
188.04767	0.7
189.05696	0.9
190.02675	1.0
190.06335	1.9
191.03593	3.4
191.05675	3.4
191.07231	1.6
192.04317	1.2
192.07568	1.7
193.05074	1.4
195.03061	1.0
205.05081	6.6
205.08862	1.7
206.05878	2.5
207.06598	1.4
209.08276	0.8
213.99704	0.6
219.06735	0.9
220.07410	2.8
221.08177	5.2
233.08220	0.8
235.06017	0.7
235.09918	1.3
293.04514	0.7
298.49487	0.8
312.06454	0.8
339.08792	2.4
345.13565	0.8
354.11078	1.2
357.09723	1.2
359.11307	2.4
372.12134	5.0
373.12823	0.9
387.10709	12.7
387.14612	23.2
388.10834	1.7
388.15027	2.2
399.14532	2.5
401.16147	1.2
402.13226	12.4
403.13870	2.6
417.15579	100.0
418.15994	9.5
431.16925	0.9
464.34793	1.0
597.23529	10.7
598.23724	1.8
609.23651	1.3
627.24487	54.9
628.15210	0.6
628.24847	10.7
789.31268	3.7
789.78223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
57.11983	1.0
58.00563	1.3
59.01385	41.1
61.98830	6.1
69.22710	9.2
71.01385	21.2
72.99317	1.7
73.02956	14.9
75.00865	1.9
77.33955	0.9
78.95901	3.1
79.05546	1.3
79.95688	1.0
83.01406	9.5
83.05021	2.2
85.02970	7.5
87.00883	7.1
89.02457	4.8
93.03458	4.1
94.37811	0.9
95.01371	1.1
96.96017	13.7
96.96972	1.1
97.06587	2.2
98.19851	2.0
99.04543	1.2
101.02460	15.3
101.88093	1.0
107.05035	5.5
108.02177	10.5
109.02951	4.3
111.00872	1.3
113.02470	6.5
113.06018	0.9
116.92874	7.2
117.01981	1.2
117.92928	1.1
119.03448	2.3
119.04997	0.9
120.05811	3.8
121.02930	6.7
122.03738	2.9
123.04549	9.0
124.01657	1.7
125.02413	2.5
131.03502	2.3
134.03745	3.5
135.04532	18.9
136.01671	1.6
136.05269	3.4
137.02425	2.1
137.06096	1.9
143.03508	1.6
147.04539	3.4
148.05327	1.3
149.04672	1.5
149.06038	3.1
151.04015	2.2
152.01091	1.1
152.04814	2.6
157.06548	1.3
159.04451	1.0
159.08228	2.0
161.02399	1.5
161.04541	3.9
161.09741	18.6
161.13335	6.3
162.03242	1.2
162.06870	1.4
163.03992	2.4
163.07660	1.0
163.11278	2.2
166.02696	0.9
167.03488	3.1
173.04524	3.7
174.03256	3.2
175.03967	6.4
176.04800	75.2
177.05238	4.1
178.02689	1.5
179.03474	3.9
179.07176	5.6
181.05231	1.0
187.11302	20.3
189.09242	15.5
191.05620	13.6
191.07147	100.0
192.07498	4.4
203.10725	1.9
205.12344	8.0
207.10301	4.8
209.08243	6.9
223.13431	2.9
225.72429	1.1
231.10144	1.4
249.11317	11.6
267.12326	4.4
273.11502	1.2
285.11395	3.4
307.08151	1.4
308.08893	2.2
315.12451	6.8
327.12393	5.1
333.13535	2.0
337.09314	2.2
339.21722	1.3
345.13416	24.5
346.13779	2.8
347.84344	1.0
352.08054	6.4
361.12827	3.3
375.14496	11.4
380.11230	1.1
386.13455	1.3
387.14362	1.2
411.16885	5.3
463.24438	2.4
463.34464	6.3
535.19653	4.5
536.19879	1.2
625.39087	3.1
739.29694	2.5
757.30627	6.1
758.31714	1.3
769.31104	2.6
787.31708	63.5
788.32489	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	787.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98827	8.9
70.11411	9.4
70.11770	2.9
72.22505	2.1
84.87155	1.8
85.30338	2.0
95.16798	2.3
96.96031	3.7
115.02533	7.2
117.00459	5.4
119.00187	2.4
136.94008	21.7
157.03574	3.2
159.01498	66.4
160.01657	12.9
161.01248	7.1
174.99287	7.1
176.98082	9.5
178.95073	41.2
178.97707	2.7
184.89653	2.2
192.11543	2.5
201.02573	39.2
202.02737	9.0
203.02278	7.6
217.00310	33.8
218.00725	2.4
219.97929	2.4
278.95084	3.3
301.02692	67.7
302.02869	26.5
303.02484	32.4
317.00461	2.9
318.00797	4.0
318.99722	3.8
320.96176	36.7
320.99487	3.7
321.96274	5.6
343.03754	5.5
344.03723	4.1
345.03564	2.4
359.01343	14.3
360.01828	2.9
361.01410	6.6
502.95709	4.0
584.37885	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	787.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.3
60.12664	0.4
67.01915	0.6
69.03455	0.6
69.55074	0.9
69.55477	2.3
71.01386	7.7
72.99323	0.6
73.02958	1.3
78.95916	0.6
79.95732	0.5
80.28661	0.5
81.03448	0.7
83.01375	0.8
85.02962	4.1
87.00880	0.8
89.02459	2.0
93.03469	2.9
95.01393	1.4
96.96009	3.8
96.96971	0.9
99.00867	0.9
99.51943	0.5
101.02449	3.3
108.02176	11.3
109.02998	4.2
111.04544	0.7
113.02467	4.1
116.92802	0.5
119.03493	0.6
121.02960	3.5
123.04520	0.7
125.02455	0.9
133.02960	1.7
135.04541	4.3
137.02460	1.4
149.02455	26.6
151.03986	2.1
152.01184	5.4
159.03067	0.5
161.04564	7.3
163.04036	6.2
163.06096	1.0
164.04803	21.8
165.01959	1.0
165.05138	1.3
167.03542	1.1
169.05051	2.4
173.04552	1.9
177.01906	0.7
179.03467	0.8
179.07153	8.0
180.04237	0.8
191.05612	9.8
193.01428	13.4
195.06654	0.7
207.03244	0.6
208.03778	36.2
209.04300	2.0
223.06125	100.0
224.06473	4.9
265.07294	0.7
271.05331	0.6
271.08249	13.2
292.34119	0.6
298.42996	0.6
307.13892	0.6
316.73703	0.5
385.11386	24.0
386.11716	2.3
393.17285	0.7
401.14630	1.7
617.07867	0.8
619.68671	0.5
687.09448	0.6
787.21173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98541	0.2
69.83642	0.2
71.01411	0.1
78.95920	0.2
79.95757	0.1
80.96517	1.0
94.98104	0.2
125.02475	0.1
152.98640	0.1
164.98653	0.1
195.01897	0.1
209.11847	0.3
210.12254	0.1
225.00864	0.2
277.21774	0.2
278.22192	0.2
379.07550	0.1
399.85797	0.1
453.74722	0.1
599.91260	0.1
786.50128	0.1
787.39325	1.1
787.52795	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71878	0.1
60.79164	0.1
61.98836	100.0
62.98521	0.1
69.51087	0.7
71.01419	0.2
72.25698	0.1
73.18660	0.1
79.95744	0.3
80.96529	1.2
93.08298	0.1
94.98106	0.2
98.19944	0.2
119.72507	0.1
140.04909	0.1
143.38899	0.1
148.99234	0.2
164.98584	0.2
175.32053	0.1
209.11737	0.2
225.00829	0.4
277.21765	0.3
278.22263	0.2
279.23459	0.2
486.34494	0.1
560.37653	0.1
786.49860	0.2
787.39404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.1
71.01378	14.9
71.08948	4.1
71.55652	5.3
78.95922	7.4
85.02940	6.9
89.02452	7.3
96.95995	12.6
99.92572	6.4
101.02486	4.1
116.92876	37.6
116.97266	6.0
135.04538	4.7
182.24306	3.8
191.05736	19.4
209.11923	6.8
213.13387	3.8
223.13481	3.9
319.15051	3.7
554.82867	4.0
749.44855	100.0
750.45581	24.7
785.42407	69.5
786.42566	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	785.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.9
61.98844	19.3
68.99576	4.3
71.01389	13.3
73.02950	2.4
83.01395	4.7
83.53419	1.8
84.45258	1.6
85.02943	7.7
85.12859	1.6
89.02431	5.2
92.36514	1.6
96.07528	1.6
96.96021	20.1
101.02453	9.6
109.88210	1.7
112.98550	3.2
113.02428	4.2
116.92834	5.9
131.03491	5.8
133.93567	1.8
136.05302	7.7
137.05586	1.8
145.87357	1.6
149.04503	2.1
154.14734	2.0
173.04430	2.3
180.04292	2.0
191.05617	3.2
273.12781	1.9
277.60962	1.8
296.37943	1.7
453.33444	1.9
471.35190	2.6
526.89069	1.8
617.35223	1.8
623.38043	2.3
640.33209	1.8
705.39819	11.9
749.44873	100.0
750.45264	25.7
785.30035	3.6
785.42853	31.5
786.42853	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	785.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01387	5.6
61.98830	5.1
63.19262	0.8
67.01891	0.8
68.99586	1.2
69.68836	1.5
69.69243	2.5
71.01383	5.3
71.21818	0.6
73.02972	1.5
78.95887	1.1
79.95749	1.2
83.01376	0.8
85.02949	3.6
89.02475	1.6
90.55924	0.7
91.86050	0.7
93.03441	0.8
95.01365	0.8
96.95393	1.0
96.96016	20.6
99.00928	1.0
101.02402	3.3
112.98615	1.4
113.02457	1.4
116.92887	3.7
117.01962	0.7
119.03531	1.0
135.04536	4.0
136.05310	100.0
137.04662	0.7
137.05591	3.7
149.06087	8.7
150.06807	1.2
162.06880	5.0
174.06865	0.9
181.05069	0.9
191.05620	1.3
208.98926	0.7
209.11816	1.5
443.31607	3.1
460.31976	5.6
461.32730	35.8
462.33261	6.0
475.34311	2.9
606.33362	0.8
623.37958	19.8
624.38287	4.2
749.44769	12.4
750.44946	2.6
785.43268	55.1
786.43524	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	785.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06303	1.7
59.01387	11.0
71.01408	2.1
90.89201	1.6
101.02445	4.1
110.72386	1.6
113.44447	1.6
131.03529	3.1
170.15921	1.9
201.41176	1.8
216.76988	1.6
253.04518	2.2
262.64841	1.8
365.43945	1.7
442.55035	2.0
550.26013	1.7
749.44830	100.0
750.45154	24.1
785.42200	21.9
786.42773	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	785.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.6
71.01389	4.4
71.10584	4.0
73.02962	2.0
84.23022	1.9
85.02958	3.6
94.59394	2.2
110.80573	1.9
131.03523	4.6
208.59906	2.5
292.36307	2.3
319.78845	2.0
384.81241	2.3
396.24222	2.5
407.54062	2.5
453.33719	3.2
515.82794	2.0
749.44836	100.0
750.45129	29.2
785.42596	25.2
786.43048	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	785.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
71.01387	0.5
71.56167	0.6
74.91715	0.3
81.03485	0.3
81.71967	0.3
82.86810	0.3
85.02956	1.3
85.57447	0.3
87.00885	0.6
92.30808	0.3
93.03466	1.4
96.96037	0.7
96.96976	0.3
108.02177	0.5
109.02969	0.7
111.04533	0.5
114.21839	0.3
119.05045	1.8
121.25970	0.3
127.04031	0.6
133.02991	0.9
135.04521	2.0
136.01631	1.6
137.02457	100.0
138.02783	3.0
161.02399	0.6
163.04012	3.9
164.97879	0.3
173.04568	1.2
179.03491	0.9
191.05629	23.4
192.05978	0.9
202.21355	0.3
337.09299	1.5
345.31293	0.4
353.08716	3.9
375.07162	0.7
431.11945	43.0
432.12289	5.1
534.43927	0.3
703.03809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56339	0.3
59.01373	1.2
61.98830	1.0
70.65082	0.4
70.65411	0.7
71.01385	0.7
78.95918	0.8
85.02971	1.0
87.00938	0.6
91.01892	0.4
93.03466	0.7
96.96011	1.3
105.88105	0.4
105.99525	0.4
108.90193	0.5
120.02205	0.5
121.02968	100.0
122.03300	3.7
135.04533	0.7
136.01656	0.6
165.01938	3.0
171.10371	0.4
171.91618	0.3
173.04510	1.1
180.05806	0.6
181.05222	0.4
181.06645	2.4
185.58047	0.3
191.03552	2.0
191.05617	6.8
197.05927	0.4
197.11789	1.7
209.04565	69.7
210.04887	3.4
225.05603	2.2
229.67239	0.3
285.67090	0.4
289.18277	0.4
293.21347	0.4
309.20712	1.0
313.07184	4.4
314.07596	0.4
357.06122	2.5
380.11777	0.4
401.08829	10.9
402.09201	0.9
405.37073	0.4
471.34644	0.4
502.03571	0.3
526.68408	0.3
549.10339	0.9
635.96045	0.3
690.29034	0.4
785.17474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63266	0.1
58.99850	0.1
61.98836	100.0
71.01368	0.2
72.19997	0.1
79.95764	0.2
80.96528	1.3
85.02964	0.1
94.98108	0.3
98.61629	0.1
112.97853	0.1
148.99161	0.1
191.05692	0.5
225.00793	0.3
254.75386	0.1
284.67044	0.2
357.69458	0.1
426.12268	0.1
592.37653	0.2
662.70410	0.1
739.54834	0.1
784.42413	1.3
785.39935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63266	0.1
58.99850	0.1
61.98836	100.0
71.01368	0.2
72.19997	0.1
79.95764	0.2
80.96528	1.3
85.02964	0.1
94.98108	0.3
98.61629	0.1
112.97853	0.1
148.99161	0.1
191.05692	0.5
225.00793	0.3
254.75386	0.1
284.67044	0.2
357.69458	0.1
426.12268	0.1
592.37653	0.2
662.70410	0.1
739.54834	0.1
784.42413	1.3
785.39935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
56.95182	0.4
57.03204	0.3
57.03459	4.4
58.00602	2.0
59.01385	35.9
60.01723	0.9
61.01804	0.4
61.98841	3.9
69.03464	1.4
71.01388	57.8
72.01727	1.4
72.99303	3.0
73.02953	14.4
75.00869	1.2
80.96494	0.4
81.03448	0.4
83.01395	11.4
84.02171	0.7
85.02958	28.0
86.03295	1.5
87.00884	3.6
89.02451	13.9
90.02789	0.7
95.01395	4.8
96.96020	3.6
97.02981	2.4
99.00889	7.2
101.02450	40.0
102.02761	2.0
102.18082	0.4
111.00893	1.2
112.01643	0.5
113.02460	22.1
114.02785	0.8
119.03503	3.6
125.02453	2.7
129.01947	1.2
131.03499	2.2
140.71228	0.4
143.03539	2.5
159.03038	3.5
161.04556	14.6
162.04933	0.7
164.52824	0.4
179.05647	0.8
191.05623	0.4
205.03506	0.4
221.06665	0.8
227.96411	0.4
239.90346	0.4
246.68791	0.4
324.95294	0.4
337.59528	0.4
440.32825	0.4
471.34412	0.5
482.08499	0.4
487.34424	1.5
488.34851	1.2
489.35287	1.2
603.38568	1.0
619.38232	1.7
620.38916	3.3
621.43677	5.8
622.43884	1.4
781.43567	3.9
782.44141	6.1
782.94891	2.7
783.48376	100.0
784.49414	26.8
785.50140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.4
61.98837	71.6
63.96254	0.8
67.04888	0.8
69.95535	3.6
71.01387	8.0
73.02935	1.9
78.95896	1.1
78.98585	3.9
79.95739	9.0
80.02672	1.0
80.96527	45.2
81.03448	2.0
81.47713	0.8
82.95445	1.3
83.01385	1.4
83.05037	4.9
84.02096	0.8
85.02945	2.7
87.00871	2.8
89.02451	1.6
94.98099	10.2
95.05048	1.0
96.11235	0.9
96.96040	1.4
97.02957	1.4
98.19945	1.3
99.00885	1.0
101.02438	2.7
106.98056	2.1
107.58156	0.7
113.02455	0.9
122.97586	1.4
125.02440	2.6
134.97586	3.3
136.99173	0.8
148.99150	3.8
152.98621	3.0
161.04573	1.4
163.11292	3.0
164.98631	5.5
165.12827	2.7
191.05632	5.6
191.10730	1.0
204.01311	1.0
206.99710	2.5
207.10262	0.9
209.11848	100.0
210.12166	5.7
225.00772	14.1
225.11314	1.4
227.12904	9.9
235.08273	1.6
253.09239	6.6
277.21741	58.0
278.22147	5.8
279.22266	0.9
310.88971	0.8
445.20697	2.4
484.23581	1.1
527.17828	1.0
591.36920	1.9
723.42114	1.3
739.39423	2.0
783.42004	61.6
784.42377	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.02847	0.6
61.98834	82.1
63.96215	0.7
67.89722	0.7
68.40623	0.7
69.03445	0.9
70.61190	2.3
71.01391	9.1
72.99282	0.8
73.02937	2.1
73.55799	0.6
78.95908	1.9
78.98594	5.1
79.95740	12.7
80.96523	70.3
81.03431	1.0
82.96106	0.8
85.02950	7.8
93.03471	2.7
94.98096	13.9
96.96010	2.5
97.02950	1.0
101.02451	2.5
106.98072	2.3
108.42983	0.8
109.02955	1.6
111.04544	1.0
122.97603	2.9
125.02451	2.7
127.04009	1.7
134.97574	4.9
136.99097	1.2
148.99147	4.3
152.98631	6.8
164.98642	12.7
173.04616	0.9
185.11887	0.8
191.05618	27.1
192.05856	1.0
201.11333	1.6
206.99666	2.3
207.10367	1.1
208.10480	0.9
209.11823	2.1
225.00763	21.3
226.01105	0.9
242.46886	0.7
255.23277	1.9
277.21719	4.3
278.22110	1.9
279.06430	0.8
281.08194	0.9
287.16577	1.5
290.51389	0.9
309.07645	2.4
355.75815	0.8
380.08029	0.8
415.39166	0.9
483.15631	1.1
523.88483	0.8
525.47687	0.9
527.17969	1.9
537.27380	1.8
565.39093	1.5
569.43903	0.7
591.36963	16.9
592.37347	3.2
649.74457	0.8
723.42230	1.2
739.39771	3.9
740.39569	0.9
783.42072	100.0
784.42523	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	781.563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98836	5.2
71.15766	5.3
78.95913	3.0
96.96011	15.5
97.06588	3.0
99.36886	3.2
119.08677	4.0
121.10221	8.0
125.09768	6.2
150.02386	2.7
171.10245	9.4
178.29871	2.9
185.11841	11.4
191.05568	5.5
209.11858	2.7
211.13461	3.6
265.21771	5.6
273.18491	3.2
275.20108	4.0
291.19678	73.4
292.19989	7.2
309.20697	34.9
362.09778	2.5
391.30484	3.2
405.31873	4.1
407.33078	5.9
451.32004	9.2
453.33701	36.8
454.34106	7.1
471.34827	100.0
472.35211	14.1
683.80737	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	783.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01385	2.3
60.99306	2.1
67.01894	5.2
68.96432	0.5
69.03456	0.9
71.01382	3.1
77.58682	0.4
78.95901	1.1
81.03444	1.2
82.03027	0.4
83.05029	1.4
85.02946	4.6
87.00879	6.4
91.82709	0.5
93.03461	35.4
94.03790	0.7
95.01447	0.6
96.96021	2.3
96.96999	0.6
99.00839	0.7
99.04515	1.0
107.09200	0.5
108.02132	0.9
109.02941	1.2
111.04523	6.0
113.02530	0.7
116.92873	0.6
117.03455	1.5
121.02946	0.5
123.04491	0.5
127.04019	1.5
133.02950	0.8
134.03761	14.5
135.04539	1.2
136.01666	1.1
137.02431	2.1
149.02461	0.9
149.06168	1.1
150.03253	0.7
151.00581	0.5
151.04021	2.1
151.46451	0.5
155.03500	2.8
165.05557	0.7
166.02682	0.7
173.04555	48.7
174.04863	2.0
175.98434	0.4
191.05618	100.0
192.05939	3.7
193.01509	0.8
193.05051	10.7
240.09737	0.5
340.11362	0.5
351.07120	0.8
367.10336	47.5
368.10565	3.5
372.64484	0.5
374.62860	0.6
375.57004	0.5
389.90207	0.5
417.15521	1.1
783.25507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03444	1.0
58.00592	1.3
59.01384	28.5
61.98824	1.0
62.38559	0.3
71.01387	21.4
71.05005	0.4
72.99311	1.5
73.02950	3.1
83.01390	2.9
85.02466	0.4
85.02959	8.1
87.00875	0.9
89.02454	14.9
90.02805	0.4
92.69093	0.3
95.01405	1.7
96.96008	1.6
97.02955	0.4
99.00899	1.0
101.02448	12.5
113.01718	0.5
113.02462	5.9
119.03510	3.8
131.03528	2.2
142.04929	0.3
143.03474	0.8
149.04509	0.8
150.03221	0.9
161.04561	1.3
165.05608	0.9
177.02005	0.3
179.05583	1.2
191.05611	0.5
192.04338	0.4
195.06601	0.9
207.06596	0.6
218.54788	0.3
229.30389	0.3
239.09547	0.3
264.12604	0.3
329.10498	0.3
344.12662	0.3
359.15033	0.6
421.31299	0.6
439.32205	1.3
469.33185	1.2
470.33737	0.3
485.33112	0.6
487.34341	4.7
488.34592	0.8
503.43234	0.4
575.38007	0.4
583.36682	0.5
601.37189	4.3
602.38123	0.9
619.38574	13.0
620.38947	2.0
695.23822	0.4
763.42578	0.7
781.43842	100.0
781.93408	1.1
782.44135	25.6
808.13550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03455	1.2
58.00595	1.2
59.01385	19.6
61.98824	1.1
67.01881	0.2
69.03451	0.3
71.01388	21.1
71.05029	0.4
71.29050	0.2
71.57631	0.2
72.01721	0.3
72.99316	1.8
73.02953	3.7
75.00852	0.3
81.03464	0.3
83.01394	3.0
85.02461	0.5
85.02958	9.0
87.00880	0.8
89.02454	10.9
93.00514	0.2
93.03473	0.5
94.04859	0.2
95.01404	1.7
96.96043	2.0
97.02930	0.4
99.00913	1.7
101.02452	11.1
112.01641	0.2
113.01733	0.4
113.02466	6.9
119.03506	1.2
122.03775	0.3
125.02460	0.3
125.24559	0.3
131.03514	3.0
133.88148	0.2
135.04527	0.4
143.03444	0.5
149.02437	0.5
149.04543	0.4
150.03291	1.3
151.45898	0.3
161.04559	1.1
165.05573	1.2
173.04596	0.6
179.05626	0.4
191.05652	1.4
195.06624	1.3
230.22943	0.4
285.10916	0.3
288.55591	0.3
341.10217	0.3
343.12003	0.4
344.12534	0.5
359.14951	1.1
371.15051	0.5
421.31070	0.6
427.32397	0.4
437.30630	0.3
439.32224	2.4
446.16443	0.3
455.31537	0.4
469.33047	1.8
485.32773	0.5
487.34381	9.5
488.34644	1.4
543.37024	0.3
548.45062	0.3
583.36151	0.7
601.37451	4.0
602.37720	0.7
619.38550	22.5
620.38782	4.1
650.87128	0.3
719.43280	0.3
733.28815	0.4
763.43036	0.4
781.43848	100.0
782.44153	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	781.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98825	3.7
65.03543	0.8
70.37508	2.4
71.01371	4.0
73.02966	0.8
78.95908	43.5
78.98583	2.9
79.95744	19.6
80.96526	30.3
81.03458	1.6
83.05043	4.0
85.02948	0.9
87.00877	1.4
87.35757	0.6
94.98096	6.1
95.05014	0.9
96.96972	9.1
97.02964	0.7
104.22232	0.7
106.98050	1.8
111.48283	1.0
115.21786	0.7
122.97619	1.6
125.02489	1.4
134.97572	2.6
136.99071	0.8
146.18515	0.7
148.99149	2.7
152.98697	1.2
152.99631	9.5
163.11310	4.5
164.98648	4.0
165.12827	2.3
174.92412	0.7
194.92064	0.8
206.99667	1.6
207.10278	1.7
209.11844	41.1
210.12016	1.9
223.00116	2.2
225.00745	11.9
227.12888	1.8
241.01216	20.0
255.23308	22.4
256.23508	1.4
259.02362	1.6
363.12061	1.0
391.22598	1.8
525.16809	1.0
537.27393	1.3
553.27826	1.7
620.69476	0.8
763.39429	10.0
764.39618	2.5
781.41168	100.0
782.41522	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	781.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03445	3.2
58.00588	5.6
59.01384	76.7
61.98840	24.8
69.36852	20.0
71.01391	61.7
72.99312	5.1
73.02943	5.4
75.00877	3.8
78.95921	2.8
83.01377	4.2
85.02959	18.3
87.00865	8.4
88.98792	4.6
89.02455	100.0
93.03477	3.7
95.01396	4.8
96.96010	29.6
101.02451	43.4
113.02447	36.2
116.92857	6.5
119.03516	38.7
121.02966	3.5
125.02471	2.7
131.03516	6.4
135.04559	3.0
143.03484	11.3
149.02495	4.1
149.04559	5.3
150.03214	10.7
161.02490	2.7
161.04530	13.4
162.03212	2.8
165.01863	2.9
165.05580	8.5
173.04498	5.6
175.04074	2.5
176.35478	2.2
179.04141	3.3
179.05650	49.1
179.07076	4.4
191.05647	13.9
193.74933	3.0
195.06578	5.9
209.11833	2.8
225.07782	3.2
282.15479	2.6
282.53891	2.8
343.11771	3.4
359.14957	7.1
447.79623	3.1
487.34433	7.0
535.19788	7.0
536.27100	2.9
619.38129	6.9
748.12854	2.6
781.30194	3.2
781.43860	47.5
782.43524	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	781.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.79913	1.8
58.00605	4.6
59.01385	80.8
60.99303	2.2
61.98837	19.9
69.41029	14.7
69.41358	3.8
71.01389	64.3
72.01742	2.5
72.99313	6.1
73.02969	4.6
78.95914	2.1
82.29163	1.8
83.01389	3.6
85.02943	11.9
86.65389	2.0
87.00881	8.1
88.98829	4.1
89.02456	100.0
90.02793	2.2
93.03462	7.5
95.01419	4.1
96.96025	34.3
96.96935	2.5
97.02967	2.2
98.95630	2.3
99.00914	1.9
101.02452	43.3
108.02173	2.2
113.02463	33.6
116.92808	2.7
119.03509	43.5
120.03809	2.2
121.02985	2.6
121.22392	1.6
122.03790	3.9
125.02445	3.3
131.03490	4.9
133.03015	3.6
135.04507	4.7
143.03545	12.0
147.04449	2.3
149.02449	4.1
149.04578	5.0
150.03246	14.9
151.00403	2.7
151.03993	5.2
160.05237	1.8
161.04593	13.6
161.05840	3.1
162.03081	2.7
165.01976	3.2
165.05602	21.6
166.02724	3.2
173.04602	6.2
177.01958	5.6
177.05524	3.9
179.03476	3.7
179.05640	49.3
179.07127	3.5
180.04306	4.5
181.05042	4.4
191.05626	15.1
192.04318	3.3
195.06633	31.7
196.07164	2.4
207.06644	5.0
329.13950	5.4
352.44635	1.8
373.12933	3.9
387.14511	7.3
388.14606	2.3
400.10687	2.0
411.06595	1.9
421.15125	2.3
507.20438	3.0
535.19879	6.7
566.03204	2.3
583.21661	19.2
584.22137	4.9
664.58789	2.1
692.71747	2.3
733.28986	2.9
781.44568	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	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13831	0.7
57.26054	0.7
67.27104	0.8
71.53146	1.3
78.95911	44.8
96.96975	100.0
212.56461	0.9
319.54102	0.9
394.79190	0.9
439.08548	24.9
460.92142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55546	0.7
71.55323	1.3
78.95912	49.0
96.95982	2.6
96.96969	100.0
154.30200	0.7
218.38066	0.8
291.83603	0.7
372.37854	0.7
387.10031	0.7
439.08600	21.7
440.08926	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	779.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03447	2.6
58.00589	1.3
59.01384	33.5
60.99297	1.4
61.98829	3.4
71.01388	24.3
71.05029	3.3
71.55072	1.1
72.99319	5.2
73.02943	8.6
75.00874	2.7
83.01392	2.7
84.86634	0.8
85.02956	14.7
86.00137	1.2
87.00879	2.9
88.98806	8.8
89.02463	5.7
89.39256	0.9
93.03441	0.9
95.01401	1.7
96.96030	5.8
99.00877	1.8
101.02447	14.1
103.04001	2.1
105.01972	4.7
108.22650	0.9
109.02996	1.5
110.96927	0.9
113.02443	6.0
114.89402	0.9
116.92890	1.4
119.03484	1.5
125.02405	0.9
129.97864	0.9
131.03516	5.4
149.04518	0.9
151.24187	1.0
161.04599	2.3
163.06125	1.1
163.37929	0.8
201.94223	0.9
339.23331	0.9
341.24802	4.0
357.27609	2.5
406.12003	1.0
423.32751	1.6
425.30582	2.7
441.33728	38.9
442.34213	5.1
444.29010	0.9
471.34595	2.4
495.34393	1.0
525.30292	1.0
555.36694	2.4
559.16809	1.0
573.29858	1.4
573.38025	15.4
574.37878	2.4
603.38971	6.2
647.37952	1.4
703.44269	2.0
719.43768	100.0
720.44159	23.8
731.44373	1.6
735.41345	1.1
749.45203	1.0
765.44244	11.9
766.44556	5.0
779.42651	11.3
780.41602	3.1
793.44031	9.9
794.43707	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	779.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
57.31594	0.5
59.01385	18.6
61.98833	8.7
64.04633	0.5
69.03457	0.9
69.69247	2.6
71.01381	4.5
73.02957	0.7
73.92075	0.5
78.95912	8.0
78.98618	0.6
80.96533	6.2
83.05061	0.7
85.02948	1.4
89.02457	1.8
94.98108	1.7
96.96975	1.5
97.02910	0.7
101.02454	3.7
109.06598	3.3
111.92556	0.5
113.02445	1.6
114.77798	0.5
116.92760	0.6
119.03471	0.8
142.02852	0.5
143.03525	0.7
152.99626	1.3
161.04561	1.3
163.11282	1.4
164.98660	1.4
167.10803	1.9
179.10782	1.0
179.14413	2.0
181.12436	0.6
187.31673	0.6
195.13879	6.7
201.67207	0.5
205.12370	7.0
207.10233	4.3
223.13412	76.7
224.13736	5.1
225.00757	2.0
225.11330	2.8
227.56436	0.6
235.08231	7.0
240.98859	0.6
241.01135	2.7
253.09315	9.9
255.23279	4.9
259.02155	0.6
259.20605	0.8
275.19922	0.7
277.21738	100.0
278.22095	9.0
281.24875	0.8
441.21451	3.3
459.22263	7.2
462.63126	0.8
513.30896	1.4
719.43884	2.1
720.43781	0.9
779.39600	17.4
780.39856	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	779.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
63.36153	0.3
63.96260	0.2
67.01910	0.4
69.29698	1.9
71.01393	1.1
73.02981	0.3
78.95911	6.5
79.95739	0.3
80.02696	0.3
80.96526	2.8
81.03458	0.7
83.05028	0.6
85.02959	9.4
85.03476	0.5
86.03285	0.3
87.00878	1.4
93.03465	3.8
93.50697	0.3
94.98091	0.5
96.96976	1.6
97.02919	0.4
99.04549	0.3
109.02965	0.7
109.06586	1.9
111.04551	1.0
111.59830	0.2
127.04038	2.3
152.99634	1.4
160.82716	0.3
163.11281	1.1
164.98602	0.4
169.36948	0.2
171.03101	0.5
173.04547	1.2
175.05939	0.2
175.84338	0.3
181.12354	0.6
191.05621	100.0
192.05962	3.7
207.10307	2.5
223.00108	0.5
225.00850	0.4
225.11319	1.9
241.01186	3.0
255.23264	3.7
335.81732	0.3
391.22632	0.6
430.24673	0.3
553.28198	0.4
587.37170	0.7
621.37439	0.3
645.47833	0.3
779.40356	12.8
780.40326	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	779.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
57.03423	1.0
57.33779	0.9
58.00579	1.6
59.01382	27.4
61.98839	5.1
70.89352	2.1
71.01390	26.3
72.99302	1.8
73.02940	4.7
83.01386	3.1
85.02961	8.9
87.00876	2.2
89.02451	25.3
93.03444	5.0
95.01414	4.4
96.96021	5.2
97.02973	2.2
99.00883	2.7
101.02454	17.2
107.05030	1.4
111.04552	1.2
113.02461	14.1
119.03510	10.8
121.02949	5.2
122.03760	10.4
123.00871	1.1
123.04512	2.7
125.02459	2.1
131.03537	1.3
133.02946	2.1
134.03746	3.3
135.04523	2.2
137.02434	2.8
142.96112	1.1
143.03516	3.6
149.02452	32.3
149.06047	1.7
150.03239	64.2
151.04070	7.9
153.05557	7.3
159.02902	1.4
161.04601	10.8
162.03268	1.0
163.04008	2.2
163.07620	1.0
164.04843	9.8
165.05583	57.6
166.05916	1.8
173.04549	3.0
177.01981	1.0
178.02766	1.7
179.03511	1.0
179.04039	1.4
179.05620	15.2
180.04317	3.2
181.05080	100.0
182.05408	4.6
191.05589	2.3
191.07161	1.7
193.05061	5.3
193.08749	2.0
194.05858	1.4
195.06638	47.3
196.07411	61.4
197.07890	3.5
209.08212	3.9
211.09770	55.6
211.11330	1.0
212.10046	2.9
296.59769	1.0
301.93738	1.2
313.10733	1.5
317.06570	2.0
335.79245	1.1
342.11108	4.7
357.13449	83.4
358.13785	6.1
371.13571	1.5
405.15686	5.7
426.21191	1.2
454.73706	1.3
519.18811	14.0
520.18976	2.6
544.26917	1.8
567.20898	32.5
568.21082	5.9
582.65466	1.2
605.22717	1.1
690.38348	1.1
777.23334	1.3
779.29114	3.8
780.29211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01384	0.7
57.03454	0.9
58.00603	0.9
59.01384	23.6
61.98833	2.8
63.19493	0.6
66.28259	0.7
69.03451	0.9
69.27074	6.9
71.01382	24.0
72.99314	1.9
73.02945	4.1
81.87556	0.7
83.01405	1.7
85.02962	7.4
87.00874	2.0
88.98821	1.5
89.02449	24.0
93.03467	4.4
93.40420	0.7
95.01401	3.0
96.96021	2.8
97.02959	1.6
99.00905	1.1
100.39664	0.7
101.02445	14.1
107.05058	0.8
109.02997	0.7
111.35107	0.8
113.02444	9.1
115.12323	0.7
116.92867	1.0
119.03516	9.7
121.02957	6.8
122.03744	16.2
123.04543	0.9
125.02494	1.6
131.03506	1.8
133.02960	1.2
134.03714	0.9
135.04497	2.0
136.01703	1.8
137.02452	1.6
143.03488	3.8
149.02446	27.5
149.04475	1.9
150.03232	100.0
150.54810	0.8
151.03897	4.9
153.05577	5.1
159.02983	1.2
160.05240	1.0
161.02519	0.8
161.04543	10.7
164.04799	7.2
165.05573	91.1
166.05917	5.1
169.59279	0.7
173.04547	2.8
177.01942	0.9
177.05515	1.1
179.05623	17.6
180.04295	6.4
181.05069	66.8
182.05333	3.5
191.05659	2.9
193.05084	1.5
193.08696	1.5
194.05952	0.7
195.06628	77.5
196.07396	44.7
196.09254	1.6
197.07938	2.3
209.08220	5.0
209.43953	0.7
211.09773	35.0
212.10016	1.8
233.01270	0.7
262.11581	0.7
342.11096	3.3
351.07248	1.6
357.13437	36.7
358.13745	3.2
371.13287	1.5
374.21884	1.8
374.71982	0.9
405.15619	4.6
455.24692	15.1
455.74847	6.5
471.34799	1.0
519.18781	10.5
520.19165	0.9
567.20837	20.9
568.20978	2.9
603.38800	1.2
749.44592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03453	2.0
58.00589	0.6
59.01384	10.5
60.83399	0.2
61.98837	0.3
68.99795	0.8
69.03450	0.9
69.78355	0.7
69.78767	0.6
71.01388	10.2
72.99307	1.2
73.02952	2.9
75.00875	10.0
81.03452	0.3
83.01389	1.4
85.02956	10.0
86.00123	0.4
87.00870	0.5
89.02447	1.3
95.01382	2.0
98.20620	0.5
99.00889	10.2
101.02473	1.4
103.04008	0.4
112.01660	0.5
113.01723	0.4
113.02464	5.8
115.00373	0.6
121.38242	0.2
136.51013	0.3
157.01404	1.0
178.00050	0.2
215.01733	0.2
423.60736	0.3
437.34018	0.5
453.33795	2.5
454.34091	0.3
455.35251	8.1
456.35788	1.4
483.34482	0.5
497.36526	1.3
513.36224	0.3
523.38397	0.3
525.35480	0.3
537.35864	1.4
551.37476	0.6
569.38446	5.5
570.38788	1.2
587.39185	0.6
613.37463	3.1
614.37909	0.8
631.38733	0.4
717.64099	0.3
777.44312	100.0
778.44617	22.7
778.59772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00195	2.8
61.98848	4.9
68.59758	3.0
77.05986	2.4
78.95908	17.0
89.02475	4.1
93.03458	2.7
101.02472	2.8
152.99583	8.2
168.17122	2.8
170.38947	2.8
171.10167	4.1
201.11342	38.0
209.11833	71.4
211.30045	2.5
227.12862	17.3
227.92738	2.9
235.08232	10.6
250.85924	2.7
253.09288	12.3
277.21744	100.0
278.22064	8.9
329.23254	6.0
345.71912	2.7
395.81787	3.0
437.20410	3.6
445.20654	4.3
465.22433	3.3
513.30707	8.6
697.41632	8.3
777.41663	18.3
778.43164	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	777.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03447	2.2
58.00581	3.3
59.01382	80.5
61.98824	1.8
71.01389	48.5
72.99304	5.3
83.01380	3.0
85.02956	15.6
87.00859	3.5
89.02451	42.4
95.01392	9.9
99.00860	1.1
101.02448	24.7
110.52696	0.9
112.00054	1.0
112.01670	8.8
113.02457	17.6
119.03522	16.3
129.01932	1.4
131.03462	1.5
143.03510	3.4
149.04488	1.5
157.01413	2.9
161.04561	2.7
179.05653	8.4
229.03812	1.1
423.32834	1.9
437.30588	2.3
439.32144	11.8
465.33978	1.3
471.31522	1.1
481.33215	2.1
493.33105	12.0
494.33539	2.4
511.34393	2.5
553.35339	49.8
554.35815	6.6
572.32550	1.1
597.34332	97.7
598.34662	16.5
749.44812	1.6
777.40717	100.0
778.27789	1.4
778.41113	19.6
782.74146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.1
63.96233	1.6
69.03473	1.6
71.01386	9.1
73.02943	2.5
78.95914	9.2
78.98590	7.4
79.95750	15.8
80.96526	82.6
85.02932	3.6
87.00855	3.6
94.98102	18.7
96.95996	1.4
96.96967	1.7
97.02941	1.4
98.19906	2.5
98.47891	1.3
101.02428	2.4
106.98070	3.6
122.97596	6.2
125.02451	3.6
127.27991	1.4
134.97577	5.3
136.27481	1.3
136.99142	2.0
148.99158	6.2
152.98596	6.6
152.99638	1.6
164.98643	13.6
196.89514	3.3
206.99591	1.6
223.13414	3.5
225.00739	16.6
241.01189	2.2
255.23363	6.5
311.17120	1.3
431.99805	1.4
777.41138	100.0
778.41345	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96247	1.8
69.03461	1.1
69.49120	3.9
69.71230	0.6
71.01386	9.2
73.02943	1.8
78.95913	6.8
78.98598	7.0
79.95738	15.3
80.96522	82.2
81.03448	1.2
85.02955	2.7
87.00900	3.5
94.98094	21.5
96.95986	0.9
96.97009	1.2
97.02975	1.8
99.00889	1.2
101.02446	2.3
106.98090	3.4
122.97591	8.5
125.02442	2.9
125.06112	0.7
127.04021	1.1
134.97588	6.0
136.99155	1.8
148.99147	7.3
152.98622	5.7
152.99652	1.6
164.97325	1.2
164.98628	11.9
195.13925	1.0
205.12492	0.6
206.99756	3.8
223.13397	2.9
225.00746	19.9
230.17609	0.7
241.01268	3.2
255.23267	5.9
521.16901	1.9
553.27142	0.7
618.57410	0.8
648.60236	0.6
681.89429	0.7
777.41064	100.0
778.41486	23.4
778.55670	1.3
808.05432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98218	0.1
71.01381	0.1
73.14679	0.1
78.95910	3.0
79.95743	3.2
85.02955	0.1
96.96018	100.0
96.96896	4.0
97.95948	0.3
98.20685	0.3
181.05122	0.1
191.05573	0.1
230.33156	0.1
423.58929	0.1
726.95441	0.1
775.46570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4089
Annotation	Kalidiumoside C
Peak:m/z	Relative Intensity
55.01872	1.4
56.61715	0.5
57.03457	3.3
59.01382	6.1
60.01664	0.4
61.98844	0.7
68.99818	1.3
71.01016	0.6
71.01388	9.0
72.01724	0.6
72.99321	6.4
73.02953	1.0
75.00880	43.7
76.01196	0.9
83.01382	1.1
84.12860	0.5
85.02959	16.4
86.03300	0.6
87.00883	3.0
88.98802	1.0
89.02449	1.7
94.78979	0.4
95.01379	2.0
96.96005	1.0
99.00892	2.8
99.70540	0.4
101.02444	1.8
103.00363	0.6
111.00896	0.6
112.01687	1.0
113.01733	0.6
113.02465	8.8
114.02760	0.4
115.00357	1.5
116.01176	1.0
117.01939	1.0
119.03454	0.6
129.01955	0.8
149.53413	0.5
157.01375	0.9
175.02470	1.2
191.05632	1.0
214.17500	0.4
221.66713	0.4
221.93933	0.5
423.32837	0.9
437.30765	1.1
439.32175	12.1
440.32520	1.5
481.33029	2.0
493.33286	0.7
497.32938	1.3
553.35358	8.5
554.35773	1.6
554.65149	0.5
571.36041	1.2
597.34247	1.9
610.85760	0.5
615.35425	22.6
616.35730	3.8
657.36334	0.7
680.76404	0.5
733.42999	0.9
775.39294	1.4
776.39758	2.1
777.40552	100.0
778.40967	24.0
778.55701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.2
59.83971	2.2
61.98845	14.8
69.59220	8.1
69.59646	9.4
71.01385	4.8
78.95912	24.9
87.83498	2.3
93.03428	2.7
95.05088	2.5
96.96017	3.2
96.96926	3.0
101.02445	7.1
109.06582	2.7
113.02477	2.5
132.93883	2.2
152.99561	13.4
163.11240	3.6
171.10275	20.3
181.08701	2.6
191.05672	11.3
199.09764	16.6
201.11334	2.7
207.10307	22.3
208.10634	2.6
225.11337	43.5
235.08197	10.0
253.09309	11.7
277.21756	100.0
278.22205	11.1
295.22897	3.4
435.18604	3.0
443.19211	8.1
461.20139	9.7
513.30682	6.9
689.71637	3.0
695.40021	36.1
696.39911	3.6
721.41821	34.0
722.42328	9.7
775.48724	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	775.4262
Annotation	Ilekudinoside K
Peak:m/z	Relative Intensity
55.01882	2.8
57.03455	4.0
58.00597	2.0
59.01384	23.2
60.01714	0.3
60.18501	0.3
62.18849	0.3
69.03457	0.5
71.01385	39.6
72.01738	0.8
72.99306	2.6
73.02950	14.7
75.00859	0.9
81.03453	0.4
83.01396	6.6
84.01742	0.3
84.02183	0.4
85.02954	24.7
86.00089	1.3
87.00877	4.5
87.04505	0.8
89.02454	4.8
89.67345	0.3
95.01380	3.5
96.96020	0.6
97.02947	2.0
99.00891	6.1
101.02448	24.6
102.02787	0.3
103.04018	2.4
109.02892	0.4
111.00893	0.5
113.02457	15.5
114.02812	0.4
115.04002	1.0
119.03498	1.0
125.02453	1.7
127.04002	0.5
129.01961	0.9
131.03517	1.6
136.39288	0.3
136.98198	0.3
143.03499	2.6
145.05042	0.6
159.02980	2.6
161.04564	10.7
163.06122	1.5
191.08553	0.3
205.03595	0.4
205.07169	1.1
209.11598	0.4
229.09592	0.3
261.16934	0.3
329.24881	3.8
405.31644	0.7
407.29630	0.8
423.32669	5.4
424.33212	0.7
437.30945	0.4
455.31500	0.6
467.31387	0.8
585.38013	0.9
611.36096	0.7
629.37012	13.0
630.37140	2.3
676.67413	0.3
731.43610	3.8
732.43427	0.5
775.42749	100.0
776.43073	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	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.4
61.98826	8.4
69.41689	21.4
70.06056	2.5
71.01390	6.0
78.95911	20.0
83.01382	3.0
83.04993	3.0
87.00866	3.1
88.84692	2.9
99.00889	3.5
101.02448	5.3
109.06603	9.8
117.74410	2.4
125.09696	2.9
152.99573	9.9
161.04555	2.6
163.11256	7.3
163.96294	2.6
171.10304	16.6
181.12282	3.5
191.05606	14.1
199.09767	32.9
201.11328	3.4
207.10269	40.6
208.10675	3.4
225.11327	42.6
225.14967	2.7
235.08145	5.5
253.09238	11.7
255.23346	2.7
277.21744	100.0
278.22086	10.2
311.22318	3.0
417.17978	3.5
435.18674	11.7
443.19159	11.8
451.76331	2.7
461.20200	14.7
608.97015	2.9
629.03625	2.7
695.39990	46.0
696.40405	7.2
721.41583	42.8
722.42041	12.5
775.40930	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	775.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33219	1.0
59.01386	9.9
61.98812	2.5
69.88667	5.0
71.01394	15.2
73.02982	1.6
78.95908	20.0
80.02705	1.4
81.03468	2.0
83.01407	1.1
83.05029	3.0
85.02972	3.4
86.83333	0.8
87.00877	1.4
89.02452	4.0
93.03463	1.5
96.96983	1.9
97.02962	4.2
99.00887	1.9
101.02435	5.3
109.06601	34.7
110.06953	1.3
113.02448	3.0
119.03556	1.7
125.09743	1.3
135.08159	2.5
142.02708	1.4
152.99605	10.2
161.04553	2.2
161.09706	1.3
163.11308	18.1
171.10269	5.4
179.05597	1.5
181.12383	5.8
185.11813	2.3
189.09216	3.0
191.05589	4.2
195.13882	1.3
199.09705	5.4
207.10272	100.0
208.10683	6.7
209.11809	8.9
225.11331	47.8
225.14784	2.1
226.11627	3.3
235.08229	3.1
243.12451	2.4
253.09291	15.4
277.21735	87.6
278.22040	8.8
295.22827	4.2
311.22391	1.2
343.25009	1.8
423.32401	1.5
431.21829	1.9
443.19379	4.7
461.14294	1.8
461.20355	20.7
462.20511	1.4
479.24252	3.4
498.68640	1.1
721.41730	20.8
722.42163	9.7
775.47931	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	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98833	2.1
71.01392	10.2
73.02942	1.1
78.95910	11.7
81.03468	0.7
83.01385	0.7
83.05030	1.3
84.61111	0.6
85.02985	1.6
87.00880	1.5
89.02456	1.7
90.50227	0.6
91.12998	0.5
93.03454	0.6
95.01378	0.8
96.96010	0.6
96.96979	0.9
97.02946	2.9
98.20641	2.3
99.00902	1.3
100.99992	0.6
101.02444	4.2
109.06604	11.1
113.02441	1.5
123.08199	0.8
125.09701	0.8
135.08165	1.7
142.02660	0.6
145.05087	0.8
152.99622	6.1
161.04562	1.5
163.11302	7.1
164.11595	0.6
165.38165	0.6
171.10301	2.2
181.12347	1.8
189.09256	1.3
191.05653	1.4
193.12389	0.7
199.09718	1.7
207.10277	40.7
208.10655	1.9
209.11905	3.9
225.11339	17.9
226.11700	1.0
229.37187	0.8
235.08264	6.6
243.12454	0.9
253.09299	10.8
277.21747	100.0
278.22095	9.3
295.22852	2.0
311.22275	1.5
343.24890	1.4
431.22372	1.1
443.19180	1.4
461.20386	4.9
467.31754	0.9
479.24185	1.4
485.31961	0.8
721.41779	12.4
722.42200	4.2
775.47516	3.8
776.47766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63694	2.7
55.39258	3.2
59.01381	5.5
61.98837	6.0
68.60619	2.6
70.04062	13.2
77.57071	2.9
78.95901	16.2
85.52849	3.0
85.75413	2.8
96.96016	6.6
97.21388	3.5
97.88638	2.6
98.95576	4.4
100.81700	3.8
132.14104	3.3
140.64531	2.8
152.99579	5.5
161.04529	3.3
171.10240	5.8
191.05643	5.3
195.13919	5.0
209.11838	86.5
210.12189	7.5
227.12965	26.7
235.08224	5.6
253.09280	22.8
275.20163	8.5
293.21249	100.0
294.21530	10.2
368.23999	3.5
445.20709	5.5
529.30103	5.1
775.40375	32.6
776.41394	10.6
790.33069	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	775.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98569	1.3
55.01876	1.6
57.03451	6.9
58.00590	4.7
59.01384	75.4
60.99312	2.0
61.98828	7.0
67.23842	1.3
71.01385	90.1
72.01707	1.5
72.99316	6.3
79.70805	1.3
83.01375	3.7
85.02956	33.7
87.00884	10.4
88.80924	1.4
89.02448	36.8
95.01387	9.3
96.95997	4.8
97.02936	1.8
101.02445	24.7
112.01692	7.1
113.02464	46.8
113.90849	1.3
119.03503	14.0
129.01953	2.3
131.03497	3.1
143.03441	2.4
157.01453	1.6
179.05589	6.1
191.05569	3.2
194.22626	1.4
196.28143	1.5
202.09192	1.2
209.11710	1.6
247.25798	1.2
263.18161	1.3
391.29858	2.1
403.89124	1.3
407.29745	1.7
425.30383	2.3
435.28796	2.1
437.30481	4.4
539.33789	20.6
540.33832	2.9
549.32111	2.0
551.33704	2.6
583.32416	6.2
595.32770	95.4
596.33136	20.6
647.38043	1.6
697.59662	1.5
775.39111	100.0
775.93628	2.0
776.39435	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	775.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03452	4.2
58.00575	0.6
59.01387	7.6
64.37978	0.4
68.99819	0.9
71.01390	15.7
72.99316	9.1
73.02946	1.1
75.00880	43.7
75.05225	0.4
81.02625	0.4
83.01389	1.6
83.05009	1.0
85.02956	20.4
87.00887	5.4
89.02444	3.6
95.01389	3.5
96.96024	0.7
99.00900	3.0
101.02443	1.7
103.00362	1.0
104.12125	0.4
111.00880	0.6
112.01679	1.1
113.02464	16.0
115.00371	1.4
116.01165	0.9
117.01964	1.9
123.08173	0.5
127.03976	0.6
129.01950	0.6
131.03476	0.5
157.01424	1.2
175.02454	0.8
182.27171	0.4
193.03564	3.1
230.05740	0.5
391.30002	0.9
392.30832	1.0
393.31656	1.0
424.29880	0.7
425.30386	2.4
435.29254	0.8
437.30515	1.1
451.32178	0.5
539.33936	0.8
551.33167	0.6
568.33893	1.3
569.34814	2.4
601.33929	2.3
602.33923	0.7
613.33838	3.9
614.34253	0.6
655.35089	1.3
757.43182	0.4
775.39130	100.0
776.39386	23.5
777.40497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.5
59.01387	17.9
61.95075	1.3
61.98825	2.9
71.01386	14.2
71.56980	1.4
78.59849	1.2
78.95898	1.3
83.01395	1.3
85.02947	4.3
85.95909	1.1
88.98812	2.4
89.02457	13.4
93.03458	3.9
95.01385	2.1
96.96022	15.8
101.02428	5.1
109.02958	2.7
113.02431	5.4
116.92863	1.4
119.03509	4.0
121.02177	1.4
121.02944	6.6
122.03718	4.4
123.00884	1.3
123.26791	1.1
124.01634	1.4
125.02511	2.1
125.09850	1.1
126.17798	1.2
135.04500	5.0
136.01685	20.1
136.05305	12.3
137.02469	16.9
149.02437	5.9
149.06058	3.6
150.03246	29.2
150.06830	1.4
150.47914	1.1
151.00363	6.1
151.04024	23.2
152.01114	1.6
161.02490	2.4
162.03200	2.6
163.03929	2.5
163.07568	1.7
164.01138	3.3
164.04816	1.6
165.01947	88.8
165.05585	28.0
165.09189	11.2
166.02740	23.6
166.05737	1.3
167.03436	4.3
172.05351	1.4
173.04594	3.6
175.04015	3.7
177.01923	2.2
177.05638	2.5
179.03503	24.3
179.05643	2.8
179.07060	1.5
180.04315	49.5
181.05084	24.0
189.05524	2.2
190.06361	3.7
191.03798	1.3
191.05632	6.6
193.05122	1.8
194.05829	5.3
195.06642	100.0
196.06929	4.9
205.05110	1.4
207.06670	3.3
209.08162	1.5
210.05370	10.4
223.06064	2.4
225.07703	60.5
226.08015	3.9
267.06366	1.3
285.20767	6.1
342.11533	1.6
356.12708	1.3
357.09656	4.0
357.13434	8.0
359.11282	2.0
372.12131	2.9
373.12982	1.4
386.13663	3.5
387.14581	48.1
388.14746	5.5
417.15604	7.3
433.29514	2.3
450.29852	3.3
451.30707	9.8
481.33466	1.4
493.70230	1.2
565.20856	52.7
566.21417	7.9
583.22217	1.6
595.21588	4.0
613.22833	28.0
613.35925	6.1
614.23547	6.2
614.32239	1.2
775.29999	2.0
775.41595	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05394	1.1
59.01384	24.1
61.98832	3.6
65.04964	1.3
66.83121	1.0
69.03445	1.1
69.53381	8.3
71.01386	21.1
72.99313	1.4
73.02927	1.3
75.37821	1.2
78.95913	1.4
81.03461	1.3
82.64311	1.1
83.01424	1.2
85.02965	4.8
87.00878	1.7
88.98844	1.7
89.02457	21.5
91.25825	1.2
93.03513	6.7
95.01388	2.2
96.96018	20.1
96.96948	2.2
98.20641	1.6
98.95578	1.3
101.02462	8.5
109.02950	4.3
113.02466	8.5
116.92873	1.5
117.84736	1.3
119.03516	8.0
121.02995	6.0
122.03760	5.8
123.00912	2.9
123.04436	2.2
124.01697	2.3
125.02447	1.7
133.02942	1.6
134.03703	1.8
135.04555	8.0
136.01675	21.8
136.05257	3.6
137.02481	19.5
139.04027	1.8
142.66460	1.1
143.03522	2.4
149.02449	6.3
149.06090	1.9
150.03230	23.0
151.00429	7.0
151.02885	2.1
151.04027	27.7
152.01178	2.1
153.01984	1.4
160.05344	1.9
161.02437	2.9
161.04587	2.9
163.04004	3.4
164.01183	1.7
164.04807	1.2
165.01945	86.7
165.05580	26.5
165.09195	2.7
166.02727	21.5
167.03502	2.1
173.04546	3.9
174.03366	1.5
175.04015	4.1
177.01987	2.3
178.02631	1.4
179.03490	27.3
179.05591	5.1
179.07030	1.4
180.04297	53.6
181.05074	25.4
181.59749	1.3
182.05377	1.7
189.05539	3.8
190.06369	4.7
191.04100	1.6
191.05609	10.3
192.04361	1.7
193.05003	1.7
194.05823	7.8
195.02953	3.9
195.06635	100.0
196.07010	4.0
207.06639	2.4
209.08188	2.6
210.05351	11.8
211.05968	1.8
221.08133	1.5
223.06097	2.4
225.07701	61.0
226.08105	3.3
248.04886	1.1
329.10370	1.3
356.12640	1.7
357.09686	3.0
357.13443	7.2
369.13651	1.4
372.12061	3.7
373.13013	2.3
386.13556	3.3
387.14542	48.3
388.14926	3.8
403.13943	2.1
417.15662	7.8
550.18414	1.6
560.43555	1.3
565.20837	61.9
566.21027	9.1
583.21600	1.9
595.22089	8.0
613.22925	32.1
613.34760	1.8
614.23273	7.8
694.30298	1.3
775.27686	2.4
775.41345	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42826	0.8
55.01884	1.0
58.00597	4.8
58.34444	0.8
59.01387	100.0
61.98831	2.2
70.46335	2.0
70.46674	1.0
71.01389	69.3
72.01720	1.0
72.99316	7.7
73.02956	1.9
81.18578	0.9
83.01394	2.8
85.02962	15.4
87.00890	3.6
89.02454	79.7
90.02775	1.6
93.03473	1.8
95.01394	5.7
96.96029	14.7
98.19920	0.9
101.02460	32.1
102.95258	0.8
105.03546	0.9
108.02170	1.0
109.03038	1.1
112.02537	0.8
113.02464	29.0
119.03512	29.5
123.04520	1.1
125.02484	1.6
131.03528	3.1
135.04530	1.1
137.02429	1.8
143.03510	7.0
146.03729	1.6
149.02446	3.7
149.04555	3.2
150.03236	2.7
151.00354	1.1
153.05515	0.8
161.04587	5.9
162.03241	1.6
164.04753	1.4
165.01924	1.3
165.05583	2.5
166.02698	2.2
167.62299	0.8
173.04488	1.2
176.01163	1.4
177.01953	18.1
177.05510	1.1
179.03487	0.9
179.03812	1.0
179.05647	19.6
179.07130	2.7
181.05103	2.6
191.03596	1.2
191.05624	3.6
192.04309	19.0
193.04843	1.9
195.06694	1.9
205.04854	1.0
207.06647	24.6
207.08569	2.0
212.67709	1.0
223.06158	1.1
416.14572	4.5
417.15326	1.2
565.20813	9.5
566.20917	1.9
613.35297	1.2
693.34692	1.1
775.41022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47946	0.1
59.01378	0.2
61.98828	0.3
69.44165	0.7
71.01386	0.8
78.95911	5.0
79.95746	3.4
89.02487	0.1
94.92527	0.1
96.92217	0.3
96.96022	100.0
96.96914	6.4
97.95953	0.4
101.02465	0.1
113.02549	0.1
129.59891	0.1
152.99605	0.1
171.10300	0.9
201.11313	0.1
207.10297	0.2
209.11839	0.3
225.11337	0.3
253.09293	0.3
277.21814	0.2
293.21332	0.3
311.22311	0.7
397.13470	0.1
407.17459	0.2
435.08414	0.3
453.09204	0.5
469.71967	0.1
713.30963	0.4
714.30951	0.1
773.42603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.1
61.98824	15.7
71.01381	15.3
71.55368	6.2
85.02930	12.3
89.02443	7.6
93.31921	6.3
96.96009	36.3
101.02438	5.4
116.92879	6.8
120.66726	5.0
131.03525	6.1
171.10320	12.0
207.10336	5.9
209.11787	18.6
225.11279	11.9
240.28432	5.6
251.80759	5.8
309.20776	7.6
647.38031	11.3
648.38342	8.3
735.43427	100.0
736.43561	26.7
771.40973	68.5
772.41711	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	773.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.5
71.01360	0.3
71.07480	0.2
71.55922	0.2
78.95908	5.1
79.95746	3.3
94.92546	0.3
96.92217	0.8
96.96022	100.0
96.96916	5.9
97.95970	0.3
101.02465	0.2
113.10372	0.2
152.99669	0.3
191.05640	0.2
209.11861	1.2
219.06653	0.2
227.12877	0.4
277.21857	0.2
288.88443	0.2
291.19669	1.1
304.42554	0.2
348.71445	0.2
515.78375	0.2
564.28046	0.2
608.28400	0.3
713.30371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44242	18.5
59.03453	20.0
61.98830	98.0
65.50336	17.2
69.92159	100.0
71.01353	20.0
78.95912	76.0
84.70480	16.5
96.96011	23.3
104.70534	21.4
136.97391	21.6
172.17088	18.3
191.05617	30.0
207.10266	44.1
209.11772	25.1
225.11305	28.8
247.31285	18.3
291.19711	96.9
329.45859	22.2
471.34915	33.5
717.38251	56.2
735.39508	73.1
749.71436	26.2
771.40076	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.01383	22.2
71.18848	12.4
71.19212	16.5
78.95903	51.1
80.76698	9.8
138.21765	8.7
152.99677	14.5
164.74150	9.8
171.10283	33.6
197.11795	14.5
197.74846	9.1
201.11302	13.4
205.57986	9.5
209.11740	11.2
253.09187	12.0
255.23282	77.6
277.21790	36.4
278.22003	10.9
416.84283	12.3
562.15198	10.8
682.77771	11.8
771.42072	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	771.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.12645	0.2
61.98837	3.3
63.99255	0.3
67.79895	0.2
71.01389	0.7
71.55592	0.2
73.02929	0.3
77.85527	0.2
78.95908	3.5
79.95745	3.1
82.32119	0.2
82.95437	0.3
83.01414	0.2
85.02966	0.4
89.02462	0.4
96.96021	100.0
96.96909	4.6
97.95967	0.4
98.95580	0.4
101.02470	0.5
113.02454	0.3
122.03750	0.9
149.06177	0.2
161.04541	0.2
167.74411	0.2
191.05663	0.6
209.11903	0.3
210.03381	0.2
225.11232	0.2
228.29619	0.2
307.91235	0.2
342.55951	0.2
447.31158	0.6
609.36890	0.3
651.38361	0.2
719.43628	0.3
749.44885	0.9
770.81671	0.2
771.41089	0.7
793.43506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	43.6
61.98846	6.2
68.72117	5.9
71.01398	12.4
78.95920	11.5
88.05298	5.7
96.96008	9.4
101.02441	7.8
107.88441	6.5
149.91498	5.7
171.10246	10.3
181.54787	6.3
191.05661	20.5
209.11829	77.1
227.12819	12.5
253.09152	11.6
291.19626	62.5
292.19968	10.6
297.98401	7.4
323.22198	18.0
531.10547	7.6
535.57971	7.5
733.45386	100.0
734.46136	29.9
769.41895	30.1
770.42987	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	769.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35427	13.6
61.98841	45.7
70.85535	30.2
78.95898	16.5
80.96518	55.4
82.96124	15.6
97.19598	13.0
126.13490	13.8
209.11841	70.7
225.00801	16.7
227.12943	14.8
255.23325	100.0
256.23557	20.1
278.16638	12.7
279.23209	27.7
280.23840	24.5
550.99487	13.4
595.39301	16.5
769.40558	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1993
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
59.01394	1.3
63.02402	0.9
65.00327	2.8
66.06392	0.6
69.77040	1.6
69.77454	1.8
75.89189	0.7
83.01382	1.5
89.02424	1.0
93.03461	1.2
107.01384	4.3
108.02173	1.4
109.02949	1.0
121.02965	3.8
125.02479	0.7
135.00903	0.6
148.01709	0.6
149.02493	1.1
151.00385	21.0
152.00720	0.6
163.00369	1.4
169.01535	0.7
173.04555	1.3
178.99860	10.6
191.05606	3.7
192.00610	0.7
193.01463	0.8
211.03978	1.6
227.03455	1.7
243.03000	7.0
244.03400	1.0
245.04556	1.0
254.02188	1.8
255.03029	19.3
256.03470	2.1
271.02499	36.3
272.02994	3.5
272.88681	0.7
273.04184	1.8
299.01898	2.8
300.02774	69.9
301.03519	63.1
302.03796	4.0
343.04553	0.9
379.70956	0.6
463.08832	10.1
464.09009	1.5
609.14648	100.0
610.14996	14.3
610.22253	0.4
738.62976	0.7
771.20050	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	771.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
63.02402	0.9
65.00327	2.8
66.06392	0.6
69.77040	1.6
69.77454	1.8
75.89189	0.7
83.01382	1.5
89.02424	1.0
93.03461	1.2
107.01384	4.3
108.02173	1.4
109.02949	1.0
121.02965	3.8
125.02479	0.7
135.00903	0.6
148.01709	0.6
149.02493	1.1
151.00385	21.0
152.00720	0.6
163.00369	1.4
169.01535	0.7
173.04555	1.3
178.99860	10.6
191.05606	3.7
192.00610	0.7
193.01463	0.8
211.03978	1.6
227.03455	1.7
243.03000	7.0
244.03400	1.0
245.04556	1.0
254.02188	1.8
255.03029	19.3
256.03470	2.1
271.02499	36.3
272.02994	3.5
272.88681	0.7
273.04184	1.8
299.01898	2.8
300.02774	69.9
301.03519	63.1
302.03796	4.0
343.04553	0.9
379.70956	0.6
463.08832	10.1
464.09009	1.5
609.14648	100.0
610.14996	14.3
610.22253	0.4
738.62976	0.7
771.20050	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	769.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08155	0.3
59.01388	0.5
81.36067	0.3
83.05012	0.4
85.02971	0.7
85.90496	0.3
87.00906	0.5
93.03471	1.2
96.96037	0.4
98.20710	0.5
108.02166	0.5
109.03002	0.6
111.04581	0.6
119.05037	8.7
126.00646	0.4
135.04567	0.3
136.01674	2.1
137.02454	100.0
138.02803	3.6
155.03529	0.4
163.04027	14.9
164.04388	0.9
173.04549	0.7
185.93327	0.3
191.05598	5.9
191.07198	0.2
192.06076	0.3
280.56738	0.3
287.69879	0.3
337.09357	3.7
338.09595	0.4
344.56387	0.4
353.08917	0.4
371.13876	0.4
431.11951	47.7
432.12366	4.7
791.87421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.1
59.01383	0.8
61.98835	100.0
62.98521	0.1
70.58714	0.2
70.59042	0.3
71.01387	0.9
73.02950	0.3
73.22356	0.1
78.95918	0.2
79.57365	0.1
80.96535	0.1
83.01415	0.1
85.02991	0.5
88.98811	0.2
89.02449	0.2
93.03468	0.1
96.19430	0.1
96.96017	3.0
96.96970	0.2
98.95598	0.2
101.02462	0.5
106.26248	0.1
113.02470	0.3
116.92886	0.3
135.04521	0.2
136.01685	0.4
137.02483	0.1
151.04042	0.5
161.04591	0.1
173.04573	0.2
176.04836	0.2
179.03548	0.2
185.17053	0.1
191.05670	0.4
217.02992	0.1
317.99210	0.2
331.25150	0.2
357.13376	0.2
360.68457	0.1
518.38153	0.1
729.69611	0.1
768.33734	0.2
768.46136	1.1
769.31250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91161	0.5
59.01385	100.0
60.01723	2.1
61.98837	4.1
71.55136	0.9
74.99406	0.7
78.95924	0.6
115.02516	7.2
116.02605	1.1
117.00452	7.2
117.02275	0.6
118.00539	1.0
119.00172	0.9
125.74181	0.5
129.32935	0.5
137.69324	0.5
156.99992	0.7
157.03564	3.9
158.03625	0.6
159.01508	73.6
160.01633	11.3
161.01189	10.3
195.90623	0.5
201.02573	51.6
202.02721	7.8
203.02283	5.4
204.00081	0.6
217.00323	1.2
235.93753	0.4
259.01633	2.2
260.01782	0.8
261.01337	1.0
301.02686	67.6
302.02823	27.2
303.02518	30.9
303.99988	1.4
304.03006	2.7
316.67575	0.6
343.03714	15.5
344.03979	3.2
345.03653	2.2
485.04849	0.8
768.98669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88071	0.2
59.01376	0.6
60.99313	15.9
61.98828	0.6
69.55840	0.3
69.56247	0.7
71.01390	0.4
85.02977	0.2
87.00896	0.9
88.00406	2.0
88.98816	100.0
89.02449	5.0
89.99140	1.3
93.03477	0.3
96.96013	0.3
97.21225	0.2
105.14623	0.2
113.02396	0.2
135.04474	0.2
137.25464	0.2
150.03270	0.3
151.04112	0.2
165.05655	0.2
191.05605	0.6
195.06581	0.2
226.05978	0.2
677.49927	1.0
678.50348	0.2
767.45746	0.8
768.32037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
61.98835	100.0
63.62769	0.2
69.89848	0.2
71.01390	0.7
71.54545	0.4
73.02967	0.3
73.84717	0.2
79.77583	0.2
83.01397	0.2
85.02975	0.4
89.02442	0.5
96.96015	1.4
101.02461	0.4
112.98576	0.3
116.92887	0.3
161.04524	0.3
182.77489	0.2
356.03592	0.2
386.45047	0.2
653.35736	0.2
749.44611	0.3
765.45367	0.4
766.45258	2.1
767.44617	0.3
781.44604	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	767.3291
Annotation	Itralamide A
Peak:m/z	Relative Intensity
57.03440	0.5
59.01389	1.3
71.01385	2.0
71.55204	0.5
71.55647	0.6
72.99290	0.5
73.02952	0.8
75.00880	4.0
78.95924	2.1
79.95750	2.9
85.02954	4.3
87.00866	0.4
95.01383	0.6
95.27503	0.4
96.96020	100.0
99.00900	0.7
101.02433	0.7
113.02464	2.8
116.92866	2.2
117.01952	1.2
117.92875	1.0
118.92707	0.6
118.99881	0.4
124.13318	0.4
141.80052	0.4
187.44510	0.4
191.05550	0.5
207.10269	0.5
234.20883	0.4
427.26929	0.5
471.34689	0.7
536.57965	0.4
544.71368	0.5
561.17206	0.5
604.39722	1.1
647.38098	3.4
648.38263	1.2
766.45184	1.2
767.32928	23.8
767.45404	3.7
768.33362	5.4
768.46027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98828	2.0
63.26633	0.5
66.24107	0.5
69.69386	0.8
69.69801	2.0
71.01371	1.0
78.95853	0.6
89.19118	0.6
96.96031	1.2
97.06592	2.1
100.15995	0.5
121.10202	1.4
171.10257	4.4
191.05624	0.6
223.13364	0.8
231.20984	0.6
275.20175	10.5
276.20676	1.0
293.21277	18.9
294.21594	1.4
380.10275	0.5
389.28589	1.1
391.30225	2.6
405.31732	2.0
407.33224	4.8
408.33658	0.8
425.34518	0.7
427.35715	0.5
437.30652	0.6
441.33780	15.6
442.34134	2.2
451.32199	7.5
452.32367	1.4
453.33774	37.2
454.34192	6.0
459.27454	0.6
469.27402	0.6
471.34875	100.0
472.35217	16.8
472.40125	0.5
585.38116	1.0
696.67517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.14592	0.4
57.03450	1.1
59.01385	14.3
60.99308	0.4
61.98836	10.6
67.01894	0.5
67.80315	0.5
69.43876	3.3
71.01386	11.7
72.99310	1.5
73.02951	4.3
73.14166	0.4
75.00861	0.7
78.95906	0.8
79.95737	0.6
83.01392	2.1
87.00864	1.2
88.98804	0.9
89.02449	3.0
93.03459	1.2
95.01387	1.1
96.96018	13.3
96.96980	1.3
97.02950	0.4
98.19945	0.8
99.00867	1.2
101.02454	10.8
106.11732	0.4
113.02454	4.5
116.92853	0.6
119.03513	1.3
122.91695	0.4
131.03503	1.8
133.02960	0.9
161.02475	2.6
161.04599	1.5
173.04604	2.3
179.03529	0.7
179.05574	0.6
191.05653	1.2
200.00360	0.4
220.08586	0.6
223.13435	0.5
244.93330	0.4
294.95804	0.4
301.09970	1.0
338.31689	0.4
393.10690	0.5
441.17572	1.4
453.33789	0.5
457.42795	0.4
471.34479	1.4
585.38208	4.1
586.38104	1.0
603.39026	14.7
604.39569	3.2
716.18298	0.4
721.40948	1.2
747.43713	1.3
750.45282	0.7
765.44348	100.0
765.94031	2.2
766.44751	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4438
Annotation	Bacopaside IV
Peak:m/z	Relative Intensity
53.63189	0.9
57.03444	1.2
59.01392	7.4
61.98836	1.0
62.35147	0.9
71.01390	9.8
71.53946	0.9
73.02951	3.7
75.00875	2.2
83.01394	1.3
89.02452	3.1
96.96033	8.3
101.02460	8.2
113.02427	4.4
116.92864	5.2
119.03519	1.4
131.03503	1.0
148.10344	1.1
159.97165	1.0
161.04626	1.5
179.03487	1.3
179.80173	1.0
471.34833	12.2
472.34900	2.2
585.37982	4.1
586.39471	1.1
603.39038	24.6
604.39233	4.6
668.30188	1.5
683.34253	4.4
684.35565	1.3
696.85767	1.4
705.33368	2.2
762.82404	1.2
765.44482	100.0
766.44659	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.442
Annotation	Bacopaside IV
Peak:m/z	Relative Intensity
55.01878	1.4
57.03442	1.3
58.00578	0.9
59.01387	9.8
59.54469	0.2
61.98836	6.3
69.03474	0.4
71.01392	14.6
71.05017	0.5
71.55196	0.4
72.99318	1.0
73.02957	4.7
75.00912	0.4
83.01405	3.2
85.02457	0.5
85.71507	0.3
86.00101	0.6
87.00877	0.8
88.98777	0.4
89.02454	2.9
93.03478	0.4
95.01380	1.2
96.96022	4.3
96.96675	0.3
96.96947	0.6
97.02934	0.7
97.22858	0.3
99.00884	1.9
101.01802	0.5
101.02455	10.5
102.77561	0.3
113.02464	6.4
116.92867	0.6
119.03493	1.1
123.94176	0.3
125.02467	0.5
131.03520	1.6
143.03499	0.4
159.02980	0.4
161.04520	1.7
173.04539	0.7
212.91455	0.3
419.74683	0.3
453.33780	0.8
471.34662	2.3
472.34991	0.4
543.37091	0.4
585.38062	4.7
586.38153	0.9
603.39038	19.7
604.39307	4.1
647.38171	0.3
747.43353	0.8
765.44373	100.0
765.93945	1.9
766.44720	24.6
767.44977	0.3
767.59668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
60.99312	16.8
61.98831	0.5
67.07898	0.3
69.32335	0.7
69.32752	1.7
71.01379	0.8
78.95931	0.3
85.02937	0.3
87.00883	0.9
88.00413	3.6
88.98815	100.0
89.02451	17.2
89.99156	1.0
99.10712	0.3
101.02439	0.4
119.03519	0.3
131.02344	0.3
148.91040	0.5
161.04538	0.4
256.37317	0.3
277.21817	1.1
303.05173	0.3
397.13577	0.9
765.25702	0.4
765.47614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.00585	1.5
59.01385	23.2
61.98834	13.6
71.01384	17.8
71.55087	0.8
72.99296	1.5
73.02951	2.8
75.00863	1.6
80.26002	0.7
82.32289	0.6
87.00891	1.6
88.98804	1.4
89.02452	7.1
96.96023	5.3
99.00912	0.8
101.02433	6.4
108.09055	0.8
113.02441	4.3
131.03496	3.1
143.03505	0.9
161.04572	0.8
190.36586	0.9
235.20457	0.8
415.26352	0.9
428.70837	0.8
439.32187	1.3
460.49323	0.8
462.46490	0.9
469.33255	1.6
487.34464	5.9
488.34763	1.1
601.37555	1.6
619.38574	8.3
620.39111	2.1
628.91797	0.8
633.40643	1.1
635.53235	0.8
721.45544	1.2
765.44330	100.0
766.44592	26.9
779.46283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84679	0.9
55.01891	0.9
57.03466	4.7
57.07650	0.8
59.01108	1.7
59.01388	20.9
61.98837	20.7
69.27728	0.9
69.45704	3.8
69.46133	3.4
71.01385	13.3
71.05029	5.3
72.99323	2.8
73.02957	4.7
75.00868	1.0
78.95909	2.2
79.95763	1.0
81.90423	0.9
83.01398	2.6
83.05036	1.2
87.00884	2.6
88.98822	3.2
89.02457	3.5
93.03450	1.9
95.01407	1.2
96.72865	0.9
96.96017	30.8
96.96977	2.1
101.02454	12.3
103.20251	0.9
111.04539	1.2
113.02450	1.9
116.92863	2.0
131.03500	8.0
133.02928	1.1
135.04562	2.2
146.50247	1.0
154.56740	0.9
160.70187	0.9
161.02390	1.6
161.04594	1.8
173.04556	4.0
179.03511	1.2
191.05640	3.2
233.75746	1.1
317.90762	1.1
331.08270	1.0
421.58554	1.0
589.37439	1.7
635.54608	1.1
721.41650	3.5
765.44427	100.0
766.44775	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	765.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00596	4.6
59.01387	65.4
69.22112	3.8
69.22524	10.3
69.45360	1.4
71.01387	51.5
72.97533	2.0
72.99313	3.7
73.02947	3.1
78.95887	1.7
83.01402	2.7
85.02953	13.6
87.00874	5.2
89.02453	58.2
93.03458	6.5
95.01402	4.1
96.96027	11.7
96.96974	1.9
101.02458	28.1
113.02460	25.1
119.01485	1.7
119.03513	30.3
120.40608	1.5
121.02964	19.6
122.03751	18.3
123.04560	2.1
125.02427	1.6
126.81308	1.3
131.03481	2.7
133.02959	2.9
135.04524	5.0
136.01656	3.7
137.02435	3.6
143.03517	7.5
149.02452	25.3
149.04506	3.2
149.40533	1.4
150.03244	99.5
151.03633	4.3
161.02451	2.3
161.04585	7.4
162.03214	4.9
164.04813	5.0
165.01962	17.5
165.05582	89.0
166.06360	30.4
173.04549	3.6
177.01953	27.7
177.05489	7.0
178.02454	1.5
179.03465	4.3
179.05612	17.5
179.07198	3.9
180.04285	32.9
181.05046	5.4
181.08769	14.3
191.05617	13.2
192.04318	24.7
193.04724	2.3
195.03082	8.4
195.06631	100.0
196.07140	5.2
207.06647	54.8
208.06911	3.8
210.05333	13.8
225.07709	77.8
226.08057	4.9
297.69577	1.4
307.30338	1.3
325.10736	1.8
329.10303	5.5
343.11823	5.6
344.12646	2.2
355.11887	6.1
359.15067	9.2
373.12808	7.2
387.12997	4.8
403.13751	2.1
421.14871	3.1
535.18152	21.6
536.18567	3.5
583.20496	9.7
584.21063	2.6
694.85773	1.9
765.29071	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	765.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	3.4
59.01386	67.3
61.74992	1.3
61.98846	2.2
71.01389	49.5
72.97538	2.3
72.99334	4.2
73.02951	4.9
83.01405	2.8
85.02969	12.2
87.00893	5.3
89.02454	64.8
90.02783	1.7
93.03455	8.9
95.01402	3.7
96.96020	18.1
96.96967	2.0
101.02450	28.0
108.02267	1.5
109.95426	1.2
113.02471	22.6
118.77914	1.3
119.03518	28.7
121.02973	18.6
122.03748	16.2
125.02470	3.7
131.03508	4.6
133.02989	4.7
134.97574	1.7
135.04550	6.3
136.01659	3.1
137.02452	4.3
143.03506	7.1
149.02460	27.0
149.04500	3.6
149.06158	1.4
150.03241	92.8
151.03764	4.1
161.02481	4.0
161.04558	7.9
162.03281	4.5
164.04825	4.6
165.01958	17.3
165.05585	86.7
166.02663	1.5
166.06369	30.2
167.06808	1.5
173.04575	4.9
173.94983	1.3
177.01961	27.0
177.05589	6.0
179.03488	6.7
179.05646	19.7
179.07126	1.9
180.04286	30.3
180.05838	3.0
181.05011	5.0
181.08723	14.2
182.10417	1.5
191.05629	14.6
192.04333	22.1
192.05966	2.5
195.03024	9.7
195.06639	100.0
196.07056	5.9
201.11424	1.4
207.06651	52.8
208.07056	2.0
210.05357	13.0
225.05466	3.5
225.07698	73.6
226.08057	3.2
237.07779	2.8
296.07092	1.4
313.10620	1.3
329.10376	4.0
343.11707	4.1
344.12637	2.8
353.09030	1.5
355.11911	5.6
359.14972	5.7
373.13058	6.4
387.12753	7.0
421.14789	2.0
535.18164	20.4
536.18811	2.3
540.66986	2.1
555.22931	1.6
569.22980	2.6
583.20319	9.4
584.20068	1.9
717.27679	2.2
765.29425	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	763.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
63.96244	2.3
66.05933	0.5
69.81949	2.4
71.01387	10.2
73.02949	2.4
78.98606	7.4
79.95740	15.2
80.96525	91.0
81.03463	1.4
81.96455	0.7
85.02956	3.8
87.00875	3.2
88.45986	0.6
89.03831	0.5
93.37159	0.5
94.91844	0.5
94.98098	21.1
95.01419	0.7
95.34887	0.5
96.96006	1.5
97.02943	2.4
99.04551	0.5
101.02448	3.5
106.98113	3.4
109.06583	0.8
122.97600	5.1
125.02457	2.9
127.04022	1.0
134.97581	7.0
136.99165	1.6
148.99168	8.3
152.98643	8.1
164.98642	15.0
206.99716	3.7
207.10524	0.8
225.00766	25.7
226.01074	0.8
255.23286	1.4
289.70053	0.6
507.15414	3.1
537.27051	1.2
713.44861	0.8
763.39429	100.0
764.39764	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	763.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01387	7.5
61.98829	5.1
69.52415	9.3
96.96029	1.8
97.06570	1.7
98.30579	1.3
121.10216	7.0
125.09741	3.7
185.11888	7.1
185.13359	1.3
197.11804	2.0
291.19690	91.3
292.19870	8.5
333.29413	1.3
471.34842	100.0
472.35150	14.5
741.08423	1.7
763.55078	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	763.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76326	0.5
59.01369	0.6
59.39942	0.4
60.03657	0.4
63.96236	1.6
69.03468	0.8
71.01387	9.0
71.34828	0.9
73.02956	2.3
73.80350	0.5
78.98599	7.3
79.95741	14.1
80.96521	78.6
81.03455	1.0
83.01374	0.7
85.02953	2.7
87.00870	2.5
94.98094	17.6
95.01375	0.7
96.96008	1.1
97.02951	1.8
101.02419	3.1
103.60693	0.6
106.98095	2.9
122.74429	0.5
122.97609	4.4
125.02454	3.2
134.97609	5.7
136.99142	1.7
146.97438	0.6
148.99150	6.0
152.98654	6.1
164.97324	0.9
164.98631	13.1
206.99678	2.7
207.10121	0.6
225.00752	23.5
226.01028	0.9
243.33365	0.6
255.23322	1.5
256.23602	0.7
283.04767	1.1
507.15515	3.0
537.27155	1.0
664.47784	0.7
738.48938	0.7
763.39423	100.0
764.39764	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90692	0.4
59.01372	0.6
63.96242	1.9
68.13284	0.4
69.03464	1.0
69.41179	1.1
69.41586	2.1
71.01384	8.2
73.02953	1.7
78.98602	7.0
79.95747	14.6
80.96523	82.0
81.03450	0.8
81.96491	0.4
83.01368	0.7
85.02943	3.4
87.00881	4.0
94.98098	19.5
95.01392	0.5
96.96033	1.0
97.02953	2.3
99.00895	0.5
101.02448	2.5
106.98103	3.4
109.02888	0.5
109.06601	0.6
122.97593	4.6
125.02445	3.3
127.04040	0.8
134.97607	6.5
136.99153	2.0
148.99142	7.8
152.98654	6.8
161.04556	0.4
164.98640	14.4
167.00249	0.7
201.02829	0.5
206.99698	2.7
207.10350	0.7
217.13942	0.4
225.00745	22.4
226.01140	1.0
250.24596	0.4
255.23325	1.9
261.18497	0.5
403.09958	0.5
507.15393	2.9
537.27356	1.3
627.58307	0.5
720.41113	0.7
763.39435	100.0
764.39825	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
61.74206	0.2
62.96369	0.3
68.82021	0.2
71.01391	0.9
71.55230	0.4
78.95910	74.6
85.02985	0.3
87.00873	0.3
89.02458	0.9
89.58890	0.2
90.67076	0.2
96.96069	6.2
96.96968	100.0
100.10852	0.2
101.02437	0.6
106.02883	0.3
107.35298	0.3
113.02497	0.3
119.03508	0.3
124.28777	0.2
128.20296	0.3
147.90753	0.3
151.74791	0.3
163.99516	0.3
179.05627	0.7
259.02225	2.3
341.10938	0.9
383.11960	1.0
421.07529	1.0
443.14075	0.3
485.14798	0.5
503.15927	0.3
601.13788	1.0
603.60461	0.3
665.21289	4.1
666.22028	0.5
763.19263	7.3
763.33124	0.4
764.19055	1.2
783.59094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39310	0.3
59.01373	1.4
60.99313	15.9
61.98823	2.5
62.18710	0.3
64.15501	0.3
71.01382	1.5
71.56676	0.5
72.99294	0.3
73.02943	0.5
78.95943	0.5
85.02969	0.6
85.59003	0.3
87.00856	0.8
88.00407	0.9
88.98814	100.0
89.02442	2.7
89.99143	0.9
96.96021	2.6
101.02454	0.8
113.02460	0.3
131.03500	0.3
131.05501	0.3
158.81168	0.3
162.08504	0.4
166.68057	0.3
166.84386	0.3
173.04544	0.7
178.13831	0.3
182.42006	0.4
191.05627	0.8
209.11819	2.2
227.12953	0.5
299.43509	0.3
418.79498	0.4
735.43115	0.7
763.42822	1.0
793.44202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
62.96402	0.5
69.31654	1.8
71.01382	0.7
78.95910	75.3
79.95742	1.8
89.02460	0.9
96.11375	0.2
96.96023	64.8
96.96966	100.0
97.95897	0.3
101.02442	0.7
108.81729	0.2
113.02454	0.4
125.02469	0.4
135.87936	0.2
150.98000	0.4
151.15457	0.3
179.05588	0.8
213.10014	0.3
241.01291	0.4
259.02185	1.1
287.51230	0.2
341.10913	0.5
341.54602	0.3
383.11972	1.7
390.65353	0.3
421.07782	1.3
443.14133	0.5
485.15317	0.4
601.14050	0.8
665.21320	4.2
666.22650	0.5
745.18323	0.3
753.04218	0.2
763.19208	8.0
764.19324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
62.96435	0.5
71.01362	0.6
71.55350	0.5
78.95914	75.2
81.09142	0.3
89.02458	1.4
96.96091	3.8
96.96971	100.0
101.02493	0.5
117.79238	0.3
124.38408	0.4
179.05637	0.9
221.06645	0.6
249.57961	0.4
259.02151	0.9
341.10742	0.7
383.11896	1.4
585.96606	0.4
601.13934	0.7
612.84760	0.4
665.21497	3.0
666.21545	0.6
763.19281	7.2
764.19379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	13.2
71.01399	4.7
72.16203	4.7
78.95900	12.4
98.20775	9.0
101.96806	4.6
102.76477	4.5
108.97533	4.8
113.53983	5.0
122.12228	4.5
130.46539	5.6
136.45345	4.9
152.99628	10.1
197.58585	5.3
200.45961	4.6
209.11855	58.9
227.12895	17.9
235.08260	8.5
245.99010	5.4
277.21628	8.1
279.23285	100.0
280.23608	5.7
306.42255	5.1
385.34201	5.6
404.23175	5.7
469.69217	5.4
551.59351	5.1
587.82312	5.7
615.47577	5.6
761.41534	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.86654	0.2
71.01399	0.7
71.19228	0.6
78.95925	0.2
78.98598	0.4
79.95741	0.9
80.96524	6.0
85.02937	0.3
87.84351	0.2
94.98084	1.3
101.93401	0.2
106.98133	0.5
122.97694	0.3
125.02454	0.3
134.97681	0.3
136.99136	0.3
148.99164	0.5
152.98677	0.3
164.98676	1.1
206.99504	0.3
214.09717	0.3
225.00732	1.7
277.77597	0.3
574.01416	0.3
680.15204	0.3
763.39423	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	761.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
63.96245	2.0
69.03458	0.8
69.46059	3.9
71.01385	8.6
73.02946	1.3
78.95914	1.8
78.98610	5.5
79.49815	0.6
79.95741	12.6
80.96526	81.7
81.03454	1.1
81.43184	0.7
85.02953	2.4
87.00864	2.7
94.98091	17.4
96.95992	1.5
97.02943	1.4
101.02449	2.4
106.98124	3.4
122.97584	4.4
125.02428	3.4
127.03999	1.1
134.97572	5.4
136.99138	1.4
146.97563	0.7
148.99147	6.5
152.98640	6.1
152.99640	0.9
164.98639	12.6
167.00304	0.8
206.99673	2.8
223.13290	0.7
225.00761	19.1
225.02985	1.0
229.24147	0.6
255.23331	1.3
279.22995	0.7
505.17255	2.5
537.27252	1.4
562.26385	0.7
761.41492	100.0
762.41980	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50945	6.1
61.98835	20.4
71.46993	6.2
71.47344	6.3
72.38048	5.9
74.22338	6.4
78.95925	9.9
85.44987	5.2
86.43066	5.7
209.11839	59.1
216.22958	6.2
227.12860	14.1
235.08253	7.7
255.23352	9.7
277.21805	10.3
279.23309	100.0
280.23459	7.3
327.21915	7.9
363.82645	6.4
478.98688	7.3
593.35718	6.5
761.43060	26.5
762.49823	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	761.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
60.99287	0.3
61.98831	0.8
70.00954	0.6
71.01389	0.6
75.00880	0.2
79.95743	3.8
85.02956	0.5
87.00874	0.3
88.98813	2.1
89.02497	0.3
90.61834	0.2
93.03494	0.3
96.96021	100.0
97.95973	0.6
113.02384	0.2
134.03894	0.2
135.04636	0.2
173.04494	0.2
191.05603	1.2
204.16124	0.2
287.79660	0.2
615.38922	0.2
663.37708	1.6
664.37708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80315	0.1
59.01388	0.4
60.99300	0.7
66.96930	0.2
71.01389	0.4
71.55329	0.2
78.95887	0.2
79.95740	3.2
85.02950	0.2
88.98823	2.9
89.02452	0.2
96.96021	100.0
101.02425	0.3
105.46419	0.2
113.02432	0.2
114.93394	0.4
116.84058	0.2
129.18179	0.1
147.04254	0.2
191.05614	0.4
375.50278	0.2
438.63660	0.2
516.12842	0.2
605.04022	0.2
663.37512	1.5
664.38397	0.3
751.00995	0.2
761.42682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29856	0.7
61.98840	1.1
63.96232	1.5
69.03464	1.3
70.21477	2.8
71.01019	0.8
71.01385	9.8
71.04972	0.7
73.02934	1.8
78.95892	1.9
78.98588	8.1
79.95742	13.0
80.96523	82.8
85.02935	2.5
85.17704	0.7
87.00878	3.4
94.98091	20.4
95.01414	0.8
96.95995	2.1
97.02943	2.5
99.00883	1.1
100.42055	0.7
101.02439	2.8
106.98087	3.2
118.95988	0.9
122.97595	5.0
125.02448	4.1
127.03960	1.0
134.97595	5.4
136.99106	1.7
138.77434	0.8
148.99149	8.1
152.98640	8.4
153.47247	0.8
164.98633	15.0
206.99690	3.2
225.00729	23.2
255.23244	2.4
327.18839	0.8
497.56558	0.8
505.17520	2.9
537.27734	1.0
761.41473	100.0
762.41760	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	759.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.9
61.98836	18.9
70.64241	22.7
78.95911	100.0
90.66236	8.0
96.96019	23.0
98.20025	9.1
130.04208	8.8
152.99622	51.8
182.74892	9.8
197.11845	10.4
207.10313	22.6
209.11845	41.2
211.13390	11.1
225.11264	12.0
227.13004	9.9
253.21661	21.9
277.21741	72.7
278.22125	11.5
279.23404	9.8
279.50424	8.4
293.21121	9.8
311.22253	11.0
409.87494	8.4
415.22223	8.4
447.21487	24.0
723.43481	10.3
759.43481	67.1
760.43512	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	759.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	9.0
60.80966	1.1
61.98806	0.9
69.39092	3.6
69.39518	3.6
71.01392	3.1
72.47620	1.1
78.95912	2.9
85.02961	1.2
87.00902	1.7
89.02461	2.1
93.49572	0.9
97.02962	3.0
101.02453	3.6
109.06601	10.0
113.02484	2.0
135.08205	1.3
161.04581	1.4
163.11325	7.3
170.79544	1.0
181.12311	1.6
183.58121	1.1
189.09253	1.5
207.10277	43.1
208.10603	2.6
225.11336	14.0
235.08224	6.2
253.09360	7.9
255.23317	100.0
256.23700	9.5
279.92667	1.0
425.18204	1.2
443.19263	2.3
461.20490	3.1
491.32422	2.5
568.47302	1.3
699.43304	21.5
700.43475	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	761.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33340	0.2
58.97326	0.2
59.01379	1.3
60.99313	17.8
61.98827	0.8
64.64178	0.3
71.01388	2.0
71.55082	0.3
72.99311	0.4
76.02640	0.3
76.75919	0.3
79.95735	1.1
83.01369	0.3
85.02963	1.0
87.00896	0.7
88.00407	0.7
88.98814	100.0
89.02458	4.4
89.99140	0.9
93.03516	0.3
93.11285	0.3
96.96021	28.9
98.95605	1.7
98.96416	0.5
99.00890	0.4
99.92565	0.4
101.02451	1.2
113.02466	0.9
115.92062	0.6
116.92878	2.0
120.36289	0.3
135.04488	0.4
161.04617	0.4
173.04576	0.6
191.05632	0.8
207.10330	0.5
209.11871	0.8
225.11411	0.3
333.82492	0.3
663.37506	0.5
754.11700	0.3
761.28143	0.8
761.41406	2.8
762.41486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34890	8.9
61.98833	27.5
69.77856	41.2
69.78281	20.8
72.46958	9.6
78.95921	100.0
96.96014	10.0
96.96954	13.5
98.19958	18.7
119.13728	8.9
119.62312	9.0
152.99580	45.1
153.60312	9.2
160.75395	9.4
178.14781	11.9
178.64673	8.9
196.63599	8.6
207.10405	12.4
209.11850	91.8
211.13573	14.5
227.13007	22.6
253.09457	15.3
253.21733	17.5
277.21820	53.9
311.22241	13.9
447.21759	17.0
487.31665	9.9
507.69391	9.6
516.01050	11.0
718.68097	10.5
730.08600	10.2
759.44379	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	759.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26657	5.9
61.98833	16.4
64.66148	4.9
71.40332	8.0
72.74473	5.6
72.90965	4.9
78.95908	100.0
109.06592	7.6
113.92478	5.3
125.38868	5.6
130.13777	5.4
146.67157	6.2
152.98598	5.6
152.99606	46.7
207.10249	48.3
225.11214	10.6
262.95560	5.9
279.23279	88.7
293.21252	19.1
295.22757	14.5
311.22385	8.7
447.21475	8.9
461.19907	6.9
463.21375	6.2
484.57428	6.2
683.97974	6.7
723.43231	22.4
724.43787	11.9
759.42175	11.3
780.99719	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94724	0.9
57.03454	0.9
59.01378	8.3
60.99327	1.5
61.98833	6.0
71.01381	7.8
73.02961	1.1
78.95908	1.2
82.95441	1.0
85.02937	3.8
87.00870	1.5
88.98827	12.7
89.02465	7.5
93.03452	2.4
95.01357	1.4
96.96014	13.6
96.96973	1.4
98.19839	1.5
99.00816	0.8
101.02448	4.4
109.02940	2.1
111.00890	1.2
111.04478	0.9
112.98550	1.1
113.02451	3.1
116.92866	2.4
119.03483	2.3
121.02960	3.7
122.03727	1.7
124.01672	1.6
125.02461	1.8
135.04520	2.0
136.01674	46.2
137.02505	5.8
139.03986	1.7
145.02986	1.3
151.00388	9.0
151.04022	62.6
151.07700	1.4
152.00824	0.9
152.04385	1.9
159.04535	1.1
160.05257	1.9
161.02441	1.6
161.04672	1.2
161.06073	1.2
162.03207	1.3
164.04730	1.4
166.01320	1.8
166.02724	32.5
167.03281	2.1
173.04523	2.6
175.04007	1.3
175.07553	1.3
177.01949	2.2
177.05638	1.3
179.03493	1.8
179.05624	2.0
179.07108	1.7
181.05089	44.0
182.05386	2.0
189.05638	2.3
190.06306	1.8
191.03535	1.8
191.05611	7.0
205.05061	1.9
205.08717	2.1
206.05779	1.8
209.04649	1.2
209.11835	1.0
220.07469	1.4
221.08208	5.1
230.16833	1.4
282.05530	1.1
309.07797	1.6
319.58347	0.9
324.09909	0.9
325.07471	1.2
329.10330	3.2
342.11160	4.6
343.11655	1.9
355.49731	1.0
357.09659	11.7
357.13467	28.4
358.10040	1.9
358.13977	2.3
369.13434	2.9
371.15170	1.2
372.12149	10.3
373.12567	2.5
387.14526	100.0
388.14835	11.3
401.16141	2.3
417.15375	1.3
463.24557	1.2
511.32565	4.6
567.22412	8.6
568.22473	2.3
597.23462	35.9
598.23822	7.7
759.29590	1.7
759.42432	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	757.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.1
59.01382	10.3
60.80927	0.7
61.98837	1.9
63.60590	0.8
64.24488	0.7
68.99567	1.9
70.57127	2.2
71.01390	100.0
72.01738	1.1
73.02950	1.9
74.33645	0.6
75.23428	0.6
78.95913	8.9
85.02966	2.2
87.00892	2.1
89.02469	2.6
96.95999	1.5
96.97001	1.2
99.00909	1.5
101.02447	4.6
109.06600	2.3
112.98563	1.5
113.02465	2.0
118.73906	0.7
119.03532	0.8
125.09738	1.5
127.11317	2.7
137.09669	0.8
143.03508	1.0
152.99585	4.7
155.10812	1.2
161.04640	1.2
163.11316	2.7
171.10289	75.5
172.10655	2.8
181.08745	1.1
181.12373	1.7
197.11885	1.0
199.09747	9.4
199.13338	1.4
201.11337	12.8
202.11627	1.0
207.10312	12.7
209.11900	1.2
211.13301	0.8
225.11314	8.4
226.11816	0.8
235.08244	5.3
243.12419	1.2
253.09306	9.6
262.99963	0.7
277.21744	91.7
278.22113	9.7
293.21600	0.8
311.22205	1.0
447.21576	1.7
461.20517	3.1
721.41888	3.2
722.41736	0.9
757.43414	13.8
758.43323	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	759.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32326	0.5
57.03424	0.7
59.01389	1.4
61.63845	0.5
64.99555	0.5
67.01888	3.8
69.34795	4.5
71.01376	2.5
81.03471	0.9
83.05003	0.6
85.02946	0.5
88.01082	0.4
93.03465	26.7
94.03814	0.7
98.36111	0.5
109.02931	0.8
111.00890	0.7
111.04536	4.1
123.04507	0.8
137.02454	21.3
138.02844	0.6
155.03506	3.4
163.04036	1.0
173.04559	100.0
174.04874	3.2
191.05661	2.3
311.07739	37.6
312.08105	2.7
435.97345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98504	1.6
59.01392	9.5
61.98832	3.6
71.01392	60.6
71.56052	1.8
71.56486	2.5
73.02972	1.6
78.95914	21.4
81.10339	1.6
85.02905	2.0
89.02454	1.9
94.60869	1.7
101.02433	5.0
109.06605	2.5
113.02444	1.9
125.09735	1.8
127.11263	2.6
151.00429	2.8
152.99597	9.0
171.10266	37.9
196.26459	1.8
199.09816	8.9
201.11360	8.6
207.10278	12.2
225.11334	8.6
226.59200	1.7
235.08220	4.9
243.12103	2.0
253.09308	7.2
277.21747	100.0
278.22101	7.4
293.21167	2.1
311.22418	3.1
445.19641	2.0
447.21530	2.5
461.20502	2.2
574.02515	2.1
721.41327	3.5
739.42822	2.2
757.43347	20.6
758.43756	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	757.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17788	0.6
59.01385	2.9
60.99301	1.8
62.74281	0.6
67.01896	3.4
69.03467	1.1
69.55422	2.9
69.55846	2.2
71.01379	2.3
81.03459	1.0
85.02947	6.3
86.76199	0.6
87.00882	5.2
88.98800	2.3
89.02460	1.0
93.03469	24.8
94.03825	1.1
96.96014	3.1
96.97006	0.8
99.04508	1.0
109.02930	1.1
111.04520	4.3
111.24745	0.7
113.02430	1.3
121.02950	1.0
127.04028	1.5
129.01962	0.8
133.02948	0.9
134.03770	6.9
135.04532	1.4
145.57552	0.7
155.03551	0.8
171.02765	0.8
171.13399	0.7
173.04573	12.0
174.04915	1.1
191.05635	100.0
192.05980	6.4
193.04930	3.9
229.01440	2.6
258.50577	0.9
269.04660	1.0
367.10349	34.0
368.10577	4.1
407.27658	0.7
440.36615	0.7
545.95917	0.8
583.08649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13762	2.3
59.01397	11.5
61.98830	10.2
71.01389	79.9
71.56454	3.6
74.04504	2.3
78.94401	2.3
78.95911	33.1
79.70264	2.9
96.96028	4.4
101.02475	3.2
109.06611	8.8
127.11269	3.2
146.30194	2.6
152.99603	17.3
153.09222	2.6
163.11320	6.3
171.10287	100.0
181.12372	2.6
197.11809	3.8
199.09769	24.5
199.92560	3.0
201.11325	27.1
207.10297	25.6
209.11758	4.9
225.11333	14.5
253.09331	10.8
259.73331	3.3
267.57217	2.6
277.21753	84.6
278.21985	9.2
293.21255	3.1
311.22345	3.4
435.18698	5.2
445.19922	3.3
447.21655	5.0
461.20230	4.7
534.61670	2.7
564.61169	2.8
721.41864	7.3
757.43158	36.2
758.44470	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	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03456	1.1
59.01379	11.8
69.03471	1.0
70.18621	3.2
71.01386	25.9
73.02946	3.6
73.08422	0.8
78.95894	1.0
81.03389	1.1
83.01384	1.9
83.05025	3.4
83.76087	0.8
84.02163	1.1
85.02972	4.7
87.00877	3.1
89.02430	4.4
95.04508	0.8
95.05031	3.4
97.02954	2.3
99.00865	1.6
101.02465	6.8
109.06602	8.0
111.00863	1.4
111.08164	4.6
113.02481	4.7
119.03470	1.3
121.10210	1.6
125.09688	2.4
127.11275	2.8
135.08163	1.2
139.07645	1.7
143.03490	2.4
143.63081	0.9
145.05022	1.9
145.74118	0.8
152.37547	0.9
155.10791	1.1
161.04526	2.9
161.09665	1.0
163.11313	6.2
165.09090	1.0
165.12840	1.3
171.10286	48.6
172.10660	2.0
177.12958	0.8
179.10815	1.5
181.12373	2.3
183.10092	1.1
185.11832	2.9
185.22466	0.9
189.09218	1.8
195.13924	7.9
196.14488	1.6
197.11758	1.5
201.09576	1.6
201.11342	23.0
207.10266	20.7
208.10759	0.9
209.11836	33.5
210.12202	1.5
215.12930	2.0
220.25183	0.8
223.13408	7.3
225.11328	31.0
226.11690	2.2
227.12872	2.6
235.08261	6.5
235.17055	1.0
243.12444	1.8
250.35121	1.0
253.09319	21.2
256.12946	1.0
275.20175	10.6
276.20447	1.1
291.19690	27.3
292.19955	3.0
293.21249	100.0
294.21542	8.1
295.10281	1.7
304.98175	0.8
309.20651	0.9
311.22159	1.1
443.19098	1.9
461.20404	5.2
479.20880	1.2
501.32352	0.9
571.30566	1.5
575.49097	0.9
737.41028	5.2
738.41833	1.3
755.41302	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	755.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	17.7
70.96106	24.7
71.01414	10.1
78.95912	66.0
96.28800	9.0
109.06625	10.2
125.99253	8.7
150.56335	10.7
152.99626	28.0
207.10219	37.0
209.89551	8.5
223.13428	11.1
225.11305	16.2
253.09187	10.2
255.23308	100.0
256.23465	16.1
271.17065	9.2
277.21884	10.1
422.46118	9.9
755.40106	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17548	0.3
57.03451	0.3
59.01385	4.5
63.09196	0.3
69.03445	0.5
70.04737	1.5
71.01381	3.9
71.04995	0.3
72.02568	0.3
72.99309	0.3
73.02947	0.6
76.62296	0.3
78.95914	0.9
80.02676	0.8
81.03465	1.1
83.01397	0.4
83.05025	4.6
84.02187	0.8
85.02951	0.8
87.00876	1.0
89.02449	2.1
95.05021	0.6
96.96033	1.8
97.02961	1.4
97.06618	0.5
101.02453	3.2
108.15841	0.3
109.06556	0.5
111.08161	4.3
113.02457	1.7
115.83929	0.3
119.03494	0.9
123.08257	0.4
125.02448	0.4
125.06115	0.7
125.09715	0.9
135.08168	0.8
137.09731	0.5
143.03542	0.4
145.05054	0.6
151.11250	0.4
152.99504	0.4
153.12912	0.4
161.04553	1.2
163.11288	3.8
165.12869	3.0
167.31857	0.3
169.12315	1.6
171.10268	3.1
179.05646	0.6
181.12332	1.1
183.13968	0.6
185.11969	0.3
191.05630	0.6
191.10764	1.0
193.12384	0.6
197.11845	19.9
198.12138	1.1
199.13408	1.2
201.11198	0.4
207.10283	0.4
209.11838	100.0
210.12154	4.9
211.13399	3.6
212.13776	0.4
225.11307	1.1
225.14919	0.4
227.12898	11.8
227.15182	0.6
228.13229	0.6
235.08292	2.6
236.39893	0.3
247.20694	0.8
251.16533	0.7
253.09323	12.3
254.09639	0.6
263.20197	1.0
265.18088	0.3
273.18771	0.7
291.19681	13.1
292.19980	1.2
293.21207	2.2
299.01962	0.5
309.20734	33.7
310.21109	3.0
445.21313	1.0
463.22232	0.3
545.29852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03439	5.1
58.50277	1.1
59.01383	55.9
61.01846	1.3
61.98832	13.7
69.03450	3.1
71.01387	40.5
71.56776	1.4
72.99319	3.0
73.02952	11.6
75.00903	1.5
78.91070	1.6
78.95907	2.0
80.96535	1.7
83.01389	8.2
84.95103	1.4
85.02959	23.3
86.00080	1.6
86.03314	1.5
87.00866	6.0
88.98840	1.4
89.02447	13.6
93.03432	2.7
95.01395	4.6
96.96017	22.2
97.02927	2.5
99.00867	5.7
101.02446	29.1
111.00877	4.2
112.01694	2.0
112.98567	1.4
113.02457	17.6
116.92828	1.3
119.03532	3.0
119.12128	1.1
121.02909	1.1
124.01650	1.3
125.02447	5.7
131.03532	1.3
134.03706	2.2
135.04483	2.6
140.15842	1.2
143.03487	4.9
146.03781	1.6
159.02979	1.8
161.04541	4.5
163.03902	1.4
166.09784	1.4
173.04521	3.5
179.07144	2.8
181.08766	1.4
191.05638	10.8
193.05035	1.5
225.00688	1.6
249.11536	1.4
263.00003	1.2
299.26035	3.3
345.29819	5.8
413.21832	1.9
431.22787	4.4
464.71402	1.5
489.33890	4.3
507.35779	6.6
593.33459	3.4
651.39600	100.0
652.40118	16.1
669.40741	51.4
670.40869	9.7
695.37714	1.7
711.41809	27.2
712.42084	4.1
755.40485	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	755.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
61.98820	1.1
62.31425	1.0
67.01863	1.0
69.38331	0.8
71.01385	6.8
71.04802	2.1
73.02956	2.4
79.02663	0.9
85.02955	20.3
87.00877	4.3
89.02447	3.7
91.09398	0.9
93.03460	9.6
96.96022	11.5
101.02446	3.1
109.02956	2.0
111.04495	1.9
113.02436	2.5
116.92876	3.2
119.03490	1.3
122.06129	2.1
127.03986	3.4
133.03008	1.2
135.04509	3.3
137.02434	1.7
145.02922	1.4
147.04503	1.8
150.05600	2.9
161.02419	3.6
163.04051	3.0
163.57669	1.1
173.02347	1.4
173.04526	2.8
174.03238	2.0
175.03954	2.6
179.03484	1.3
191.05627	100.0
192.05971	4.3
201.01884	4.8
215.11864	1.3
223.06300	1.1
225.06557	1.1
233.04576	3.7
234.05482	1.3
235.06239	1.3
236.07149	1.2
238.08788	3.0
239.08292	1.0
241.09824	1.9
248.07097	3.0
249.04314	2.0
250.05016	5.5
251.05762	3.7
252.06378	1.2
253.03691	3.6
253.09747	2.0
254.08229	1.3
263.05795	4.3
264.06638	12.3
265.07169	2.8
266.08438	6.9
267.07834	1.6
276.06586	2.7
277.03735	2.2
278.04361	2.9
278.07706	1.1
281.09467	5.4
282.07645	2.1
292.06180	10.7
293.06705	3.3
293.09576	1.9
294.07776	3.5
295.04816	6.7
296.05371	1.8
296.09198	1.7
307.07465	2.0
307.13913	2.0
308.05701	1.9
309.06415	7.1
310.07147	7.0
313.11594	1.3
319.04807	2.9
320.05542	1.9
322.07089	1.8
324.08701	3.2
325.08603	1.9
336.05115	4.4
341.10266	1.2
351.07410	2.0
352.07999	1.2
353.05267	1.8
354.06119	3.3
356.12973	1.2
357.12561	1.7
368.07709	1.1
369.08041	1.5
370.08115	1.2
373.13416	1.4
377.95419	1.1
385.08057	1.3
399.13632	6.0
401.10223	4.9
402.10886	1.1
415.13062	1.5
425.11310	2.1
432.14563	5.0
433.14658	1.1
443.12338	7.1
444.12753	1.3
469.10193	1.6
475.15167	11.7
476.15479	2.2
487.11380	5.1
501.12775	3.3
502.13379	1.6
507.20404	2.7
519.14087	11.8
520.14685	2.0
531.10114	4.5
537.15033	2.0
545.11804	1.7
563.13080	47.5
564.13263	10.1
581.14075	10.3
582.14453	1.7
651.32605	9.0
669.33246	4.1
711.20398	7.2
711.32800	1.6
712.20178	2.2
723.16803	1.3
755.19275	28.5
755.31738	2.0
756.19440	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
57.03452	1.1
59.01382	17.8
60.36963	0.7
62.63612	0.7
69.03465	2.1
69.86810	2.5
69.87215	1.7
71.01383	10.5
71.05022	0.8
72.99318	1.1
73.02956	2.8
78.95881	0.9
80.02676	2.0
81.03470	3.0
83.01397	2.8
83.05025	6.0
84.02180	1.0
85.02937	4.4
87.00887	2.9
89.02461	5.7
93.03487	1.4
95.05041	2.2
96.96049	2.0
97.02956	11.1
97.06608	2.8
99.00869	1.9
101.02455	9.9
109.06593	38.4
110.03737	2.9
110.06934	2.0
111.04520	1.0
111.08179	9.3
113.02477	5.8
119.03513	1.9
121.06592	3.0
123.04514	2.5
123.08189	1.2
125.09734	2.6
135.08170	5.9
135.70432	0.8
136.05302	1.9
137.09708	2.1
142.02707	2.9
143.03511	1.1
153.12842	1.0
161.04581	2.7
161.09720	3.4
163.11305	23.3
164.11610	1.1
165.12878	3.8
169.12379	5.5
171.10289	4.3
179.05667	1.4
179.10747	2.8
181.12379	7.3
183.13849	1.0
185.11821	3.0
189.09221	3.2
191.05701	1.8
191.10786	1.0
191.14447	2.7
194.96751	0.7
197.11848	42.5
198.12154	2.2
199.13321	1.5
207.10274	100.0
208.10568	6.6
209.11847	67.8
209.15125	1.4
210.12227	4.9
211.13402	6.6
212.13879	0.8
223.09727	1.4
225.11342	35.0
225.14771	1.6
226.11656	2.9
227.12892	9.3
231.10170	0.8
235.08241	8.1
235.10469	1.1
237.11354	1.6
245.19072	4.8
247.20726	0.9
253.09323	30.7
254.09448	0.9
263.12900	0.8
263.20175	3.7
271.16907	1.2
273.18542	0.9
275.20175	1.3
289.18100	24.4
290.18536	2.0
291.19693	24.2
291.23032	1.0
292.19940	2.1
293.21155	4.0
299.15280	0.8
307.19156	18.2
308.19348	2.8
309.20734	66.0
310.21075	6.3
401.23206	1.2
443.19427	4.3
445.20398	1.0
461.20313	11.3
462.20346	1.8
499.30582	1.3
517.31433	1.1
545.29352	1.5
644.65643	0.8
735.39447	2.8
753.40656	50.3
754.41052	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	753.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03455	0.9
59.01387	16.7
61.98835	100.0
69.40493	3.1
69.40902	1.5
71.01390	12.5
72.99304	0.9
73.02959	2.5
80.96535	1.2
82.95434	1.8
83.01411	1.6
84.95192	0.7
85.02964	5.7
87.00887	1.8
88.98826	1.8
89.02451	7.5
93.03478	1.3
95.01392	1.0
96.96027	4.5
98.19922	0.9
99.00893	0.7
101.02463	7.2
101.82966	0.5
108.02226	0.6
111.00924	1.0
113.02464	5.5
119.03523	1.0
125.02487	1.0
135.04594	1.1
143.03552	0.8
161.04639	1.2
162.03223	0.9
173.04567	0.8
176.04791	0.9
177.05614	1.5
179.03511	0.7
179.05670	1.0
191.05659	5.2
191.07167	1.1
243.79845	0.6
340.78513	0.5
346.14026	0.5
487.33011	1.9
505.33908	1.6
649.38043	17.6
650.38434	3.6
667.39252	10.7
668.39868	2.3
709.40118	5.7
710.40710	1.3
753.29810	1.4
753.37897	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	753.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35249	3.8
55.35504	4.8
57.03449	5.5
59.01382	28.8
61.98846	5.2
66.59781	3.2
68.99802	6.2
69.03463	6.0
71.01382	19.7
71.55982	4.1
71.56377	3.8
72.99306	3.7
73.10320	3.3
78.95921	12.0
83.05039	6.0
85.02949	8.7
87.00893	4.7
89.02442	5.2
93.03442	6.2
95.05013	3.8
96.96011	11.8
97.02918	6.6
101.02450	13.4
103.99140	3.7
109.06628	4.2
110.03754	3.8
111.04533	30.0
113.02461	7.2
122.03774	4.1
123.04594	4.9
125.09743	7.6
134.77164	3.3
151.11322	6.7
153.09169	4.1
161.09711	11.9
171.10280	100.0
172.10574	5.9
177.09230	9.0
179.10808	20.4
185.11754	4.6
191.05652	17.7
195.13889	6.8
197.11873	11.2
205.08759	23.9
207.10271	8.2
209.11688	5.1
213.11316	10.5
213.29869	3.6
223.09738	80.5
223.13242	8.2
225.11400	6.2
235.08289	7.2
235.17007	6.4
253.09338	26.9
258.39365	3.7
275.20157	29.6
276.20609	5.0
291.19757	5.1
293.21246	97.6
294.21533	10.4
319.06445	4.0
331.69382	4.1
441.17642	5.6
459.18661	14.9
547.74304	3.9
622.60382	3.9
641.16754	5.1
671.97400	3.7
709.38013	3.6
735.39642	22.0
736.39618	6.7
753.40741	39.8
754.40582	9.8
765.96057	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	753.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03455	0.9
59.01387	16.7
61.98835	100.0
69.40493	3.1
69.40902	1.5
71.01390	12.5
72.99304	0.9
73.02959	2.5
80.96535	1.2
82.95434	1.8
83.01411	1.6
84.95192	0.7
85.02964	5.7
87.00887	1.8
88.98826	1.8
89.02451	7.5
93.03478	1.3
95.01392	1.0
96.96027	4.5
98.19922	0.9
99.00893	0.7
101.02463	7.2
101.82966	0.5
108.02226	0.6
111.00924	1.0
113.02464	5.5
119.03523	1.0
125.02487	1.0
135.04594	1.1
143.03552	0.8
161.04639	1.2
162.03223	0.9
173.04567	0.8
176.04791	0.9
177.05614	1.5
179.03511	0.7
179.05670	1.0
191.05659	5.2
191.07167	1.1
243.79845	0.6
340.78513	0.5
346.14026	0.5
487.33011	1.9
505.33908	1.6
649.38043	17.6
650.38434	3.6
667.39252	10.7
668.39868	2.3
709.40118	5.7
710.40710	1.3
753.29810	1.4
753.37897	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	753.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47445	2.3
53.18595	2.8
57.03446	6.2
59.01385	72.3
61.98837	100.0
71.01393	54.9
72.26467	2.6
73.02956	13.0
80.96529	6.7
82.95394	3.6
83.01402	6.1
85.02957	24.5
87.00873	6.2
89.02448	27.1
95.01395	4.6
96.96007	6.5
97.02959	3.0
99.00896	6.0
101.02455	31.8
113.02463	24.4
119.03515	10.1
129.01976	3.2
143.03514	4.8
159.03020	4.0
161.04585	7.7
173.04579	2.8
191.05615	7.8
209.11800	5.1
210.66714	2.9
298.15961	2.7
333.33658	3.0
487.32712	11.3
505.33740	8.7
649.38074	98.1
650.38049	17.6
667.39124	74.1
668.39923	13.8
709.40173	29.2
710.40588	7.3
722.11267	3.4
753.38190	5.9
754.38470	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	753.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03455	3.5
59.01384	48.7
61.98838	100.0
68.99565	3.3
69.44346	13.7
71.01392	35.8
72.99313	5.3
73.02955	7.4
80.96531	5.8
82.95412	2.3
83.01403	4.4
85.02953	18.2
87.00897	4.4
88.98833	4.8
89.02460	15.9
92.19606	1.7
93.03467	2.9
95.01388	2.9
96.96017	6.6
99.00904	2.0
101.02442	22.2
111.00891	2.2
112.98528	2.5
113.02454	18.1
119.03531	5.0
125.02439	4.9
135.04564	2.3
143.03526	3.2
161.04561	3.7
173.04538	3.0
178.02615	3.0
179.03468	2.1
191.05714	9.8
191.07263	2.2
209.11795	2.1
242.00430	2.0
259.58728	1.9
324.99039	1.9
392.69046	1.8
404.94696	1.8
429.12900	2.3
487.32620	6.7
505.33929	4.6
649.38080	49.4
650.38373	6.3
667.39307	39.8
668.39789	6.2
709.40179	17.4
710.39575	2.9
753.27991	2.2
753.38135	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	753.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01383	1.4
60.99316	1.7
67.01898	4.1
69.03446	1.3
71.01387	2.1
71.56577	0.4
72.99289	0.3
73.02958	0.3
81.03460	1.0
83.05033	0.7
85.02956	5.0
87.00880	6.5
87.01385	0.4
89.02487	0.3
93.03465	28.9
94.03785	0.9
96.96006	0.9
99.00896	0.7
99.04533	0.5
101.02441	0.5
101.78945	0.3
105.65530	0.3
109.02959	0.9
111.00862	0.5
111.04529	4.2
113.02455	0.4
115.04047	0.3
117.03465	1.3
127.04001	1.3
129.01949	0.8
134.03746	10.5
135.04198	0.4
137.02464	1.1
143.03487	0.4
149.06058	0.8
155.03465	1.3
160.01649	0.3
165.02101	0.2
171.03082	0.4
173.04552	24.3
174.04916	0.9
175.04002	0.5
178.02750	0.3
191.05618	100.0
192.05951	3.7
193.05052	6.8
194.05484	0.4
204.18919	0.3
210.55345	0.3
227.94971	0.3
367.10349	41.4
368.10739	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	753.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54453	0.5
58.00595	0.8
59.01389	15.5
63.89476	0.5
69.39972	4.1
71.01392	9.2
71.95394	0.5
73.02941	0.8
83.01397	1.9
85.02954	2.4
85.42406	0.6
85.49563	0.5
87.00877	0.9
89.02464	7.9
93.03460	0.6
96.96026	0.7
98.19926	1.2
99.00925	0.7
101.02455	7.1
113.02474	3.8
119.03524	2.5
127.11286	1.6
144.86346	0.5
155.10808	1.0
157.12369	9.3
158.12721	0.8
185.11835	1.8
187.13403	0.7
191.05664	2.6
199.13359	1.7
200.32674	0.7
203.12898	32.9
204.13232	1.3
214.87805	0.6
223.06168	0.6
245.14095	0.9
365.18182	100.0
366.18588	8.1
649.30634	1.2
667.32593	1.0
752.53119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
58.00582	2.0
58.56609	0.8
59.01386	36.7
61.98838	9.5
64.81158	0.8
70.32665	0.8
71.01389	23.2
72.99313	3.0
73.02965	1.3
79.05547	1.3
83.01396	4.5
83.05009	0.8
85.02969	5.7
87.00864	2.3
89.02453	16.6
89.27560	0.8
91.26972	0.8
93.03458	1.7
95.01435	2.3
95.05031	1.6
96.96025	9.0
99.00870	0.8
99.04523	2.0
101.02452	11.8
105.01950	3.3
107.05077	1.1
111.04563	0.9
113.02468	8.3
113.06061	1.0
118.94630	0.7
119.03519	7.9
123.04572	1.2
131.03479	1.5
135.04527	2.9
143.03500	0.9
145.02884	1.3
146.03749	46.3
147.04306	2.0
151.03957	1.0
161.04631	2.2
161.06078	14.6
161.09816	1.0
161.13387	4.6
162.06464	0.8
163.04015	1.7
164.04807	31.0
165.05533	4.0
173.04591	1.8
177.05498	1.2
179.05722	5.3
179.07141	100.0
180.07533	4.3
187.11288	22.0
188.11647	1.4
191.05602	6.6
205.12366	7.1
206.12642	1.3
209.13330	0.9
211.11389	1.0
229.12328	3.8
231.10258	1.8
247.13438	1.4
249.11311	8.6
251.40247	0.9
255.10115	1.1
264.64658	0.8
273.11404	2.2
283.41476	0.9
291.12500	2.7
307.83521	0.8
315.12357	3.1
333.13431	2.0
349.16660	1.6
393.15543	10.7
394.15802	1.4
411.16656	2.1
460.23285	0.9
573.23340	42.3
574.23999	8.8
688.95190	1.0
753.29633	18.7
753.42615	0.9
754.30145	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4485
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01867	0.3
57.03457	0.7
58.00604	0.8
59.01385	12.8
60.01707	0.2
60.76041	0.1
61.98837	3.8
63.36853	0.1
68.03158	0.1
68.84990	0.1
69.03455	0.3
69.49258	0.1
71.01390	5.0
71.56313	0.2
72.99334	1.1
73.02954	2.0
75.00905	0.1
78.95930	0.1
81.03440	0.2
83.01395	1.2
85.02464	0.2
85.02963	4.0
86.00101	1.2
87.00851	0.5
88.98793	0.3
89.02457	1.1
95.01410	0.4
96.96010	1.1
96.97009	0.2
97.02935	0.2
99.00871	0.3
101.02454	5.1
103.04012	0.6
109.02994	0.1
113.02440	0.4
119.03524	0.3
127.04005	0.2
131.03525	3.5
145.05009	0.1
151.00424	0.2
161.02376	0.2
191.05672	0.3
369.12997	0.1
453.33243	0.2
471.34814	6.8
472.35123	1.2
559.39935	0.1
585.38104	1.6
586.38446	0.3
587.95129	0.1
603.39148	2.1
604.39343	0.5
705.45190	0.3
749.44806	100.0
750.45166	25.3
751.45496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4485
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01873	0.3
57.03442	0.6
58.00595	0.6
59.01384	11.5
61.98829	0.5
68.92461	0.2
70.83401	0.3
70.83744	0.5
71.01389	5.6
72.99303	1.1
73.02950	1.8
74.43790	0.3
78.95876	0.3
82.11376	0.3
83.01379	0.8
85.02961	4.0
86.00096	0.7
87.00868	0.8
89.02449	1.9
96.96023	2.6
96.97003	0.3
98.76319	0.3
99.00869	0.5
99.11464	0.3
101.02452	4.6
103.04000	0.5
113.02457	0.6
119.03481	0.3
127.04140	0.3
131.03523	2.8
219.01788	0.2
228.49214	0.3
453.33664	1.0
458.95355	0.3
471.34821	5.0
472.35226	0.5
585.37878	1.7
603.39197	2.0
604.38885	0.6
705.44940	0.3
731.43817	0.7
749.44800	100.0
750.45154	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	749.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.8
58.00583	2.9
59.01386	63.7
60.01719	2.7
61.98842	21.0
70.38618	7.4
71.01387	62.3
72.99317	5.4
73.02952	6.4
76.01980	2.2
78.95903	3.2
79.80257	1.7
79.95759	1.8
82.71571	1.8
82.95441	2.9
83.01382	2.6
85.02970	15.4
87.00878	7.9
88.98798	3.7
89.02454	55.3
89.08398	1.8
90.02770	2.7
93.03461	7.9
95.01390	5.4
96.96024	35.6
98.64121	2.0
99.04556	2.0
101.02451	35.7
109.03016	2.9
111.04530	2.2
113.02465	28.0
116.92847	5.5
119.03513	18.1
119.05010	2.0
121.02970	36.8
121.03858	2.6
122.03786	10.9
124.01637	1.8
125.02415	1.9
131.03526	5.0
133.02963	4.3
134.03778	4.2
135.04541	5.8
136.01706	2.2
137.02409	3.9
138.43649	1.9
143.03500	7.4
145.02893	2.1
145.60857	1.7
147.04526	2.2
147.60010	1.8
149.01305	2.9
149.02448	39.9
149.04469	4.5
150.03247	78.6
151.00340	4.2
151.03703	3.8
152.01198	10.0
156.69406	1.6
161.04561	12.1
161.05737	1.8
162.03149	5.6
164.04836	13.7
165.05591	65.9
166.06366	100.0
166.52295	1.7
167.06763	6.7
173.04575	5.4
175.07635	3.0
177.01979	2.8
177.05557	3.2
178.99829	10.4
179.03479	3.8
179.05609	21.9
180.00328	1.8
180.04279	7.2
181.08731	43.6
191.05602	21.6
191.07133	2.4
193.05067	3.5
195.06639	43.9
196.07033	3.6
209.08194	5.4
230.45709	1.9
242.02206	4.8
243.02864	2.2
270.01675	3.7
271.02515	6.8
285.04071	8.7
299.01962	5.2
313.03534	26.2
314.04074	9.9
329.10175	2.8
342.11084	11.5
345.06195	27.2
346.06726	3.0
357.13431	82.3
358.13644	6.4
359.15182	3.2
360.15393	3.3
405.15280	9.3
458.51508	2.0
519.18567	20.7
520.18982	3.3
539.22797	5.8
567.20886	34.9
568.20941	6.3
603.38525	2.8
619.77283	1.9
683.93610	2.5
701.27515	3.5
705.39722	3.1
749.29620	7.0
749.44946	4.1
750.29382	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	748.514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32988	2.7
59.01387	23.6
59.02168	2.3
59.46585	2.5
60.40652	3.0
61.98835	3.7
63.58879	2.4
65.54697	2.5
66.74701	2.4
68.40122	2.9
70.77325	5.3
70.77717	5.4
71.01378	19.4
85.02936	3.0
88.84337	2.7
89.02456	22.7
89.47665	2.5
92.27185	2.7
101.02455	11.4
109.81445	2.6
112.07732	2.6
113.02421	5.2
119.03511	11.3
152.70967	2.6
161.04651	3.1
163.44888	2.5
164.91621	2.6
179.05605	8.4
225.22247	3.1
255.23344	3.8
305.85623	2.8
325.86185	2.6
532.47522	18.1
550.48346	7.8
712.53754	100.0
713.53802	26.4
748.51361	27.1
749.51727	5.6
757.86505	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	749.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93560	0.6
59.13084	0.6
71.52523	0.6
71.55532	1.2
74.29883	0.5
83.05018	0.9
85.02953	1.0
93.03448	2.8
96.95992	1.9
99.70661	0.6
111.04520	1.7
118.67656	0.7
119.05033	41.9
120.05387	2.1
133.02943	0.7
135.04504	1.1
136.04794	0.6
155.03517	2.0
156.65872	0.6
163.04016	100.0
164.04337	5.6
168.06711	0.8
173.04547	5.1
175.04057	0.8
191.05624	16.8
192.06024	1.4
277.11932	0.7
288.95465	0.9
319.13156	0.9
322.49136	0.6
337.09296	34.4
338.09793	2.7
353.08719	1.2
375.07013	0.9
377.07458	1.0
402.07465	0.7
722.47345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
56.86433	0.5
57.03459	2.7
58.00593	2.5
59.01385	47.8
60.99303	2.6
61.98542	0.7
61.98837	10.3
69.03445	0.8
71.01391	16.1
71.05020	2.7
72.99326	2.8
73.02959	6.7
81.03438	0.6
83.01400	5.2
85.02957	17.7
86.00100	3.4
87.00875	1.7
87.04539	0.7
89.02458	5.1
96.96003	2.6
97.02986	0.7
99.00885	1.1
101.02454	24.2
103.04038	3.0
113.02446	1.8
119.03475	0.6
131.03510	27.9
132.03845	0.7
143.03400	0.5
145.05054	0.6
163.06091	1.6
175.22665	0.6
211.41519	0.6
218.74471	0.6
219.91685	0.6
244.68317	0.5
333.75470	0.5
405.31308	0.7
407.82330	0.6
465.93848	0.5
539.37469	15.3
540.37915	2.3
557.38654	0.9
583.36316	3.5
601.36969	0.7
624.19080	0.6
631.38647	2.5
648.83496	0.6
685.43219	100.0
686.43561	23.8
703.44403	8.9
704.44397	1.8
747.43317	11.3
748.43286	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	747.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	8.2
78.95913	17.2
78.98611	6.2
79.95744	13.2
80.65562	1.3
80.96527	69.6
85.02972	2.5
86.22581	1.1
87.00883	2.6
94.98104	17.9
96.96033	1.6
96.96978	1.6
97.02940	1.8
99.04591	1.5
103.36163	1.1
106.98081	4.7
118.70071	1.3
122.97569	4.6
125.02451	3.4
134.97609	4.5
148.99185	6.3
152.98596	5.8
152.99675	7.8
164.98633	11.3
171.00677	1.8
185.11949	1.2
202.08614	1.2
206.93845	1.1
206.99701	3.1
209.11819	1.4
215.81694	1.3
222.49170	1.2
225.00763	18.0
255.23309	41.8
256.23633	3.7
267.60315	1.3
279.23071	1.7
281.24896	17.0
282.25238	2.8
491.15958	3.1
509.28799	1.9
510.29340	2.8
511.29739	1.9
537.27252	1.6
656.00757	1.4
664.65552	1.4
747.39923	100.0
747.51819	21.6
748.40271	23.9
748.52075	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	747.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
56.25367	0.8
57.03448	2.2
58.00607	5.5
59.01386	100.0
60.01712	1.8
61.98838	12.6
69.03447	1.2
69.34225	2.3
69.34630	4.2
71.01389	73.6
72.01723	1.1
72.99316	6.3
73.02946	3.0
78.95902	1.4
83.01387	3.2
85.02956	12.9
87.00890	4.3
89.02454	96.1
90.02764	1.7
93.03458	3.2
95.01380	4.1
96.96011	7.3
98.95571	0.8
101.02453	43.8
102.02792	1.0
106.91012	0.8
109.02950	0.9
113.02463	28.0
116.92820	0.8
119.02670	2.0
119.03516	38.1
121.02920	4.6
122.03761	9.8
125.02419	1.0
128.81602	0.9
131.03546	5.3
132.02225	1.0
133.02969	1.1
133.22597	0.8
135.04544	2.8
136.01674	2.5
137.02434	1.4
139.04031	1.3
143.03528	8.2
149.02458	14.5
149.04538	3.7
150.03244	62.5
151.03647	2.7
160.01634	2.5
161.04530	6.3
164.04768	1.9
165.05586	52.6
165.44414	0.8
166.05913	3.9
179.03448	0.9
179.04056	1.3
179.05635	16.4
179.41603	0.9
180.04301	3.8
181.04909	1.0
183.03072	1.0
191.05548	4.3
194.05916	1.0
195.06647	33.3
196.07007	2.7
197.04517	2.5
208.24684	0.8
209.08279	1.3
225.11429	1.2
233.14371	0.9
242.09410	0.8
257.11639	1.4
270.08957	2.8
285.11258	3.4
298.08459	2.5
310.08478	1.8
311.09235	1.5
313.10953	1.8
325.10745	1.8
326.08011	1.5
326.11453	1.8
338.39343	0.9
340.13327	1.1
341.10394	18.4
342.10690	1.8
356.12524	8.6
357.12918	1.3
363.49927	0.9
371.15002	33.5
372.15207	3.5
377.18625	1.1
519.20300	2.1
537.20892	1.3
585.22949	2.0
747.42963	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	747.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64138	0.2
56.63264	0.2
59.01397	0.3
61.98824	0.8
64.45448	0.3
71.01363	0.4
71.72174	0.2
72.99307	0.4
73.02934	0.3
75.00880	0.7
77.28716	0.2
78.95921	1.0
79.95742	3.3
80.11497	0.2
81.95308	1.6
85.02970	0.6
96.96017	100.0
97.95942	2.6
97.96469	0.5
98.95601	38.7
98.96426	6.3
99.00939	0.4
99.92590	9.3
100.93363	0.5
108.66083	0.3
113.02528	0.3
115.92085	10.6
116.92868	31.7
117.92894	1.4
123.32133	0.3
135.22540	0.2
142.94395	0.9
151.00331	0.3
152.84589	0.3
169.93094	0.3
170.93932	1.5
176.55034	0.3
184.95461	1.6
212.95090	0.4
242.42851	0.3
256.93961	1.0
274.94937	0.5
587.26660	0.4
645.55817	0.3
647.37970	1.2
648.38458	0.5
649.38373	1.2
729.29584	0.9
730.29242	0.3
747.30487	18.0
748.30835	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	747.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03433	1.3
58.00594	6.3
59.01385	100.0
60.01691	1.2
61.98837	8.8
70.37920	3.7
71.01387	73.3
72.01708	1.0
72.99310	6.6
73.02954	1.9
78.95911	1.7
82.95423	9.7
83.01390	3.2
85.02953	12.7
86.44647	0.9
87.00872	3.0
89.02451	91.9
90.02781	2.2
93.03457	3.1
95.01395	5.7
96.96024	16.9
96.96969	1.3
98.95618	5.0
101.02451	42.4
113.02462	27.3
119.03513	40.4
121.02985	3.1
122.03749	6.1
123.04454	1.1
125.02466	1.2
131.03517	4.7
134.03748	1.1
135.04530	2.2
136.01674	1.3
143.03528	6.8
149.02455	16.3
149.04535	3.3
150.03244	43.3
151.03798	1.5
160.01547	1.0
161.02431	1.9
161.04556	4.5
164.04845	2.6
165.01936	0.9
165.05585	37.6
166.05965	2.0
173.04547	1.3
179.03366	1.0
179.05632	14.5
179.07069	1.7
180.04340	3.3
180.07843	1.0
191.05612	3.2
195.06650	26.8
237.05733	1.3
242.09473	1.1
270.09021	2.5
285.11227	2.2
298.08279	1.2
310.08514	1.4
311.09433	1.2
313.10922	3.4
325.10831	2.2
326.07938	2.2
341.10300	16.0
342.10709	2.0
356.12595	7.2
357.13190	1.7
371.15002	29.9
372.15289	3.4
456.22351	1.0
519.20148	12.3
520.20465	2.6
537.21216	1.4
585.23322	1.6
607.18445	1.0
747.28296	5.5
747.42603	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	745.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98831	0.3
65.67908	0.1
68.87954	0.1
71.01380	0.2
74.75391	0.1
75.00883	0.3
78.95909	0.3
79.95746	3.0
85.02946	0.6
86.00101	0.1
87.00850	0.1
96.96021	100.0
97.95952	0.3
98.19865	0.2
101.02460	0.1
113.02488	0.2
139.22206	0.1
162.07043	0.1
281.24850	0.2
409.13239	0.2
647.38080	2.2
648.28815	0.1
648.37708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.00581	4.8
59.01386	100.0
61.98837	9.2
71.01389	73.3
71.56341	1.7
72.14055	1.3
72.99307	4.5
73.02934	2.6
83.01414	3.5
85.02950	13.4
87.00877	6.7
88.98833	1.8
89.02454	83.6
91.42348	1.4
93.03464	3.8
95.01395	6.4
96.96006	4.5
101.02449	35.2
113.02469	29.8
113.06381	1.4
119.02686	1.8
119.03522	28.4
131.03514	4.6
135.04483	3.7
143.03580	7.3
146.03670	2.6
149.02426	8.1
149.04492	3.5
150.03262	2.0
151.04033	1.8
161.04567	8.3
161.05988	2.0
164.04759	3.8
173.04573	3.3
175.04158	1.7
177.05608	2.9
178.02721	1.6
179.03555	2.6
179.05602	20.1
179.07054	2.7
191.05630	11.4
192.08063	1.4
195.06607	3.5
223.06091	2.2
254.31847	1.4
301.99744	1.8
323.00067	1.4
326.11826	1.5
359.15115	7.2
371.15039	3.5
403.11520	1.6
507.20050	4.9
537.21320	22.2
538.21710	3.0
547.26996	1.7
659.30457	1.4
710.44373	1.7
711.01526	1.5
747.25073	1.9
747.43878	12.8
748.43188	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	745.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13496	0.1
59.01383	0.2
61.98833	0.2
63.73623	0.1
69.84753	0.1
70.69724	0.2
71.01362	0.1
75.00889	0.5
78.95908	1.3
79.95743	3.4
80.71204	0.1
85.02962	0.5
87.00870	0.1
95.01445	0.1
96.96021	100.0
97.95960	0.3
113.02453	0.3
114.93429	0.2
116.92860	0.1
135.56551	0.1
168.20996	0.1
254.12250	0.1
293.21042	0.1
431.31384	0.1
471.34845	0.1
647.37982	2.2
647.48639	0.1
648.38354	0.5
746.29877	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	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07159	0.4
57.03451	1.2
59.01384	9.4
61.98835	5.2
63.02404	1.0
65.00325	2.6
67.39411	0.5
71.01398	4.6
71.90519	0.5
72.99313	0.5
73.02950	2.1
75.00887	0.5
83.01401	3.3
83.05019	0.6
85.02962	2.0
88.98843	0.6
89.02452	2.1
93.03461	1.0
95.01397	0.7
96.96020	8.2
96.96998	0.5
97.02955	1.4
101.02459	3.0
107.01381	0.8
109.02988	0.6
111.00895	0.8
112.98615	0.5
113.02477	2.6
116.92907	1.0
119.03538	1.1
120.75386	0.6
121.02993	1.4
124.01674	39.5
125.01991	0.8
131.03575	0.8
134.03799	0.6
135.04547	0.8
136.01645	0.6
137.02469	1.8
139.00398	2.1
139.04022	96.6
140.04349	3.2
148.01685	1.2
150.03210	1.8
151.00377	4.8
151.04039	0.6
152.01161	3.6
153.05592	0.8
161.02393	0.9
161.04564	0.5
163.04045	2.3
165.01942	12.3
165.05571	0.5
165.12813	0.6
166.02641	0.9
167.03506	5.5
171.10281	1.0
173.04558	0.9
178.99878	8.0
179.03531	1.3
179.05605	0.7
181.05099	1.3
191.05659	1.9
193.01439	5.6
195.02946	0.7
195.06631	0.6
196.07353	0.8
201.11418	0.5
207.13960	1.8
209.11855	5.0
210.12143	0.7
225.11423	0.8
229.05243	0.8
233.11832	7.2
240.04352	0.6
241.05174	0.6
251.12857	1.4
256.03802	0.8
257.04572	2.3
269.13937	6.9
271.06155	1.3
272.06866	3.3
275.13153	0.7
284.03409	0.6
287.09280	4.4
288.06342	3.6
293.14114	1.0
299.05612	2.1
299.12930	0.8
303.08752	33.5
304.09167	2.4
317.14090	1.5
331.08240	100.0
332.08597	9.2
335.15060	0.6
353.16129	1.9
390.35544	0.5
413.18222	13.6
414.18597	2.1
463.24298	1.9
539.28607	1.5
543.63342	0.5
579.20886	1.1
583.21918	1.0
685.42181	0.6
745.35834	1.6
746.37134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00602	1.3
59.01384	27.8
60.01707	0.9
61.98831	6.7
68.99838	0.9
69.32546	2.4
69.32959	5.8
71.01009	1.6
71.01389	22.0
72.99302	1.4
85.02946	5.3
87.00864	1.5
88.98826	1.7
89.01942	1.5
89.02457	22.2
93.03470	4.2
95.01380	2.1
96.96027	11.4
99.96942	1.0
101.02456	11.7
108.02193	2.2
109.02937	1.3
113.02462	10.0
116.92836	1.3
119.03505	7.9
121.02961	5.5
122.03751	12.0
123.00893	1.5
123.04523	1.8
124.01665	1.0
133.02910	1.7
134.03688	1.1
135.04512	2.0
136.01678	9.8
137.02446	3.2
143.03511	1.9
149.02457	17.8
150.03235	92.1
151.00356	3.7
151.04037	12.2
152.01065	0.9
152.04431	1.2
161.02406	2.4
161.04536	2.0
162.03247	4.4
163.03972	1.3
164.04797	4.0
165.05582	100.0
166.02725	9.9
166.05946	4.9
167.03456	2.2
173.04576	1.5
175.03949	2.5
177.05557	3.6
178.02740	1.5
179.03485	1.4
179.05556	5.4
179.06956	1.3
180.04288	6.2
181.05074	10.1
182.05344	1.2
188.76903	0.9
189.05496	1.1
190.06390	1.3
191.05562	3.2
193.05034	3.1
195.06635	97.4
196.06987	3.5
201.11304	1.7
209.11800	2.2
251.96503	1.1
303.52023	1.1
327.13010	1.0
357.09653	2.4
357.13367	7.0
369.13248	1.1
372.12003	2.6
373.12961	1.2
387.14508	25.8
388.15015	2.3
535.19611	7.2
583.21899	17.7
584.22406	1.8
745.43121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14575	2.6
57.38766	2.0
60.67551	2.0
61.25231	2.3
61.55808	2.2
61.98830	7.8
69.32793	10.8
69.33221	9.4
78.95924	6.7
88.40504	2.8
96.96001	5.5
97.06608	3.6
104.83002	2.5
122.73750	2.4
139.91263	2.2
152.99553	3.2
171.10268	7.1
174.13040	2.5
183.60466	2.5
244.51695	3.0
255.23325	2.9
271.22772	70.3
272.23019	4.9
279.23340	2.9
293.21100	2.9
407.32761	3.9
441.91333	2.8
451.32098	9.5
453.33670	34.9
454.33878	9.1
471.34821	100.0
472.35065	15.5
728.38043	3.4
743.48218	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	745.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.2
55.45682	1.1
58.00599	2.1
59.01385	62.3
69.03454	3.6
71.01388	64.2
71.54650	1.7
72.20360	1.1
72.99310	4.3
73.02948	5.0
78.95905	3.0
83.01386	2.8
83.92873	1.3
85.02962	7.6
87.00868	2.8
89.02452	76.6
95.01393	4.0
96.96024	3.1
96.96992	1.4
97.02953	4.6
99.00903	5.7
101.02443	24.5
108.02181	3.1
109.02964	6.3
113.02460	19.2
115.04027	1.9
119.03506	13.3
125.02456	15.7
131.03510	5.3
141.59448	1.2
143.03523	6.3
149.04604	6.6
161.04559	6.0
169.34447	1.4
179.05655	18.3
179.07117	1.5
191.05611	5.3
220.60010	1.2
223.59085	1.1
233.06673	11.0
238.26411	1.0
240.10866	1.1
293.08810	50.1
293.12076	2.5
294.09100	2.1
341.10904	100.0
342.11179	6.8
403.12448	45.7
404.12814	3.2
621.45050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08685	1.0
57.11155	1.1
58.00594	4.3
59.01383	100.0
60.01723	1.1
61.98837	4.8
67.01905	1.1
69.36005	6.8
69.36413	2.4
71.01386	76.3
72.01695	1.2
72.99307	6.2
73.02940	2.7
75.89886	0.9
83.01392	2.8
85.02958	12.7
87.00878	4.5
89.02454	88.9
90.02805	1.8
92.87554	0.9
93.03500	1.7
95.01403	4.6
96.96025	5.2
101.01801	2.0
101.02452	35.2
113.01799	0.9
113.02454	27.5
119.03504	29.3
122.03732	1.6
124.01668	3.4
125.02484	1.1
131.03551	4.7
134.03731	1.1
135.04492	2.3
139.03998	2.7
143.03513	5.8
146.03735	1.2
149.02464	2.9
149.04573	2.6
150.03267	6.5
151.04005	2.0
152.01170	8.7
161.02477	1.9
161.04521	7.7
162.03175	1.7
165.05591	5.7
166.02673	1.5
167.03503	29.7
177.05559	1.3
178.05676	0.9
179.03531	1.0
179.03801	1.2
179.05630	20.8
181.05133	1.7
191.05632	2.6
195.06670	2.7
209.11800	1.3
265.08008	1.0
386.13763	1.5
387.14532	3.2
411.16705	3.9
455.24771	2.5
523.52783	1.1
531.18597	2.4
535.19824	11.4
536.19910	1.4
536.27142	4.6
536.77661	2.2
579.21216	5.4
648.02106	1.0
730.67896	1.3
745.25488	2.3
748.91113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98824	0.9
63.33328	0.5
71.01380	3.0
71.56214	1.0
74.80709	0.7
77.25247	0.6
85.02943	2.1
87.00878	1.0
89.02440	1.8
93.03465	12.9
96.96025	2.0
96.99332	2.3
101.02451	2.0
111.04540	0.8
113.02431	1.4
116.92832	1.4
117.03488	0.6
119.05045	11.6
121.02982	1.1
123.04515	1.6
130.04160	0.9
131.05017	1.9
132.05829	0.6
133.02953	4.5
134.03758	0.6
135.04547	1.6
137.02470	0.7
143.05035	9.8
145.02992	1.8
145.06569	0.9
159.04541	0.6
163.04033	7.4
171.04558	1.4
173.04552	2.7
177.01932	1.6
179.05547	0.7
191.05624	8.5
192.06015	1.1
209.06155	0.7
211.07695	3.4
221.09705	1.5
235.07619	1.9
237.09213	6.1
239.10829	1.5
260.50983	0.6
265.08713	9.9
266.09012	1.3
283.09787	7.5
284.10159	0.7
309.07733	2.7
327.08740	100.0
328.09091	9.4
343.90173	0.6
373.18729	0.8
432.78958	0.7
452.68433	0.7
507.22235	0.9
637.48346	0.6
673.49713	0.7
725.26624	2.5
743.27435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16108	1.7
57.03461	1.8
58.00588	2.2
59.01387	31.3
61.98833	4.4
62.62661	1.7
71.01392	12.8
72.99315	2.5
73.02968	4.8
73.54549	1.5
78.95915	49.0
83.01400	3.1
85.02941	9.8
89.02461	3.4
96.96969	3.2
101.02465	14.4
103.04006	2.4
116.21748	1.8
120.85329	1.7
131.03467	9.9
152.99594	30.8
171.10278	5.4
185.24026	1.6
195.13896	2.9
211.13400	4.2
258.29190	1.8
277.21725	8.4
293.21207	2.0
295.22830	10.6
311.22122	3.2
329.23398	5.9
431.22000	6.5
447.21622	4.7
449.23111	2.6
455.69519	1.7
465.22641	9.2
537.35956	5.5
683.41669	100.0
684.42029	24.1
743.44873	29.5
744.45734	4.9
774.91107	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	741.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
61.98819	1.8
66.34248	0.7
67.07132	0.6
69.27539	5.7
71.01395	4.1
73.02940	1.5
78.95910	0.9
80.02679	1.1
83.05032	3.6
85.02952	1.7
87.00867	0.9
89.02458	3.2
95.05014	0.7
98.19940	1.4
98.85498	0.7
101.02467	3.6
103.45517	0.8
113.02464	2.3
119.03522	0.7
125.09702	1.0
127.11307	3.4
131.77939	0.6
143.03400	0.7
161.04564	2.0
163.11314	2.8
165.09225	1.0
165.12823	1.8
171.10286	2.6
191.10823	0.9
201.11342	39.1
202.11707	1.9
209.11845	83.4
210.12160	4.6
227.12891	9.5
228.13164	0.8
233.72655	0.7
235.08228	7.8
253.09293	16.2
277.21738	100.0
278.22092	9.6
379.69681	0.7
437.20410	1.1
443.31519	1.0
445.20880	1.4
461.32913	1.3
467.32062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	2.8
61.98822	9.7
69.76568	13.4
78.95914	100.0
85.02946	2.9
92.42241	2.6
96.95991	2.7
96.96951	8.4
97.06612	3.1
116.92680	2.8
120.89555	2.5
125.09669	6.1
152.99599	54.6
171.10316	6.9
179.94832	3.0
187.09724	2.9
195.13959	6.2
197.11795	3.4
209.11800	3.0
211.13361	5.8
240.55380	2.8
255.23242	3.4
277.21741	20.1
291.19458	3.1
292.09711	2.8
293.21313	5.6
295.22794	10.7
309.20648	4.1
327.21692	7.7
399.44342	2.7
407.45551	2.5
407.68829	2.7
413.20670	6.1
429.20343	5.0
431.21875	8.4
445.19705	3.8
447.21332	4.9
463.20798	12.1
505.26096	4.2
678.32605	4.0
741.43549	60.9
742.43628	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	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39808	0.1
59.01387	0.2
61.98838	100.0
62.98539	0.1
68.88013	0.1
83.05020	0.1
85.02972	0.1
86.88935	0.1
92.11964	0.1
96.96068	0.1
100.50564	0.1
137.58029	0.1
191.05647	0.2
678.50458	0.1
679.50049	0.2
680.50354	1.3
740.49359	1.2
741.50433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01094	0.7
58.47748	0.7
59.01381	2.8
64.23254	0.6
70.24084	1.0
70.24413	1.2
71.01398	2.3
79.62434	0.6
85.02954	5.6
85.06600	0.9
87.00887	1.8
89.02457	1.0
93.03465	2.6
96.95986	1.0
98.20588	0.7
102.18046	0.6
105.64700	0.6
107.74477	0.6
109.02935	1.3
111.04505	1.4
127.03985	1.5
131.07146	3.0
133.02957	1.7
134.03967	0.7
135.04543	2.9
161.02431	1.5
163.04010	1.8
169.12952	0.6
173.04561	2.3
179.03471	1.9
191.05618	100.0
192.05971	5.2
207.05078	0.8
256.07474	0.8
274.93939	0.7
293.12457	8.1
294.12619	0.8
336.06436	0.6
351.07324	1.4
353.08801	11.9
354.09164	0.7
375.06866	0.7
747.72034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99237	1.3
58.00592	2.1
59.01387	44.4
61.32027	1.2
61.98835	13.1
63.01151	1.2
67.37644	1.1
68.99594	1.3
70.34370	1.5
71.01389	35.7
72.99311	3.9
73.02950	3.7
80.02682	1.8
83.01374	4.0
83.05064	1.1
85.02971	10.7
87.00874	2.8
88.98764	1.9
89.02459	18.3
93.03471	2.9
95.01382	3.9
95.05014	1.4
96.96022	19.1
97.06535	1.5
98.19907	5.5
99.00894	2.1
99.04533	13.2
101.02461	16.6
106.04252	3.6
107.05016	1.3
107.08655	3.1
108.02162	2.0
109.06591	1.7
111.04538	1.7
113.02457	12.2
116.92838	4.6
119.03507	7.4
121.03013	1.8
121.06580	4.6
123.04521	2.4
131.03513	1.6
135.04543	1.9
135.08174	2.7
137.02330	1.4
139.04025	2.8
143.03593	1.5
149.02452	1.4
149.06139	1.4
151.03929	1.5
161.04524	3.4
165.05579	3.0
165.09230	35.9
166.09433	2.4
171.10237	1.6
173.04535	2.7
176.44794	1.5
179.03471	1.5
179.05653	2.7
181.04996	1.9
187.11490	1.2
189.12874	27.8
191.05585	10.9
191.07133	3.2
207.13899	4.9
207.25061	1.2
209.11861	1.4
228.44334	1.2
229.58990	1.4
231.13918	4.1
233.11835	2.3
251.12883	10.1
275.13040	2.3
299.01932	5.6
299.12857	2.6
300.02716	1.6
317.13779	4.3
331.07745	1.3
347.59241	1.3
379.78760	1.9
395.17053	4.2
413.18118	1.6
437.19214	1.4
437.48068	1.2
499.32742	1.4
522.39282	1.3
543.31488	1.5
561.27075	100.0
562.27478	15.4
697.36957	2.4
705.20105	2.6
741.33392	51.6
742.34442	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01385	13.4
59.31528	1.2
61.98832	2.1
71.01389	16.3
71.05006	2.4
73.02946	2.2
77.31955	1.6
78.95908	3.2
83.05047	2.0
85.02979	3.5
87.00848	1.6
89.02448	6.0
95.05099	1.2
96.95970	1.5
97.02928	4.7
97.06596	2.7
98.20778	3.0
99.00898	17.6
101.02441	5.7
109.06586	3.9
111.04564	1.3
113.02451	3.7
123.08173	1.7
125.09721	7.5
127.11248	1.4
131.68900	1.4
135.08171	1.7
142.29684	1.3
150.59084	1.5
163.11311	12.3
171.10284	18.2
172.10556	1.7
179.10719	1.4
181.12366	19.9
191.05652	2.2
192.98959	1.4
197.11853	2.2
199.13425	12.8
201.11334	5.4
207.10280	38.8
208.10616	2.0
211.13466	2.1
220.10986	1.3
225.11359	58.2
226.11664	4.1
235.08228	3.8
243.12392	28.7
244.12820	1.5
253.09306	6.3
261.79099	1.3
277.21741	54.2
278.22113	6.2
279.23273	4.0
280.23572	2.0
293.21198	4.0
398.45029	1.4
443.19138	1.4
461.20377	5.5
479.21417	12.5
699.13147	1.5
721.42224	1.6
739.42767	100.0
740.31592	2.2
740.43213	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01384	6.5
61.98841	0.4
70.96006	0.7
71.01385	4.5
73.02943	0.8
80.02673	0.8
81.03462	0.8
83.01392	0.7
83.05032	4.1
84.02162	0.8
85.02956	0.8
87.00893	1.1
89.02451	2.4
95.05061	0.8
97.02947	0.4
101.02460	3.6
109.06577	0.4
111.04482	0.3
113.02459	2.0
119.03503	0.9
121.10222	0.4
133.11510	0.4
151.00417	0.8
161.04567	1.6
163.11304	3.7
165.12883	2.1
166.83115	0.3
171.10278	1.5
178.99854	0.4
179.05580	0.4
179.14468	0.5
181.12337	0.8
191.10826	1.1
195.12082	0.5
195.13919	7.0
196.14700	0.8
205.12408	0.5
209.11835	100.0
210.12212	5.8
211.13370	1.1
223.13405	4.3
224.14005	0.5
227.12901	10.8
228.13518	1.2
231.21234	0.5
235.08159	2.3
247.74597	0.3
253.09299	16.8
254.09708	0.6
256.13232	0.9
271.02234	0.4
275.20160	8.8
276.20456	1.1
293.21249	83.4
294.21555	7.8
294.24664	0.6
409.12918	0.4
409.63678	0.6
445.20905	0.6
646.42834	0.4
716.15796	0.5
738.80786	0.7
739.31476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23376	2.0
59.01370	6.5
61.98829	5.5
65.56072	1.8
71.01015	3.2
71.01388	57.0
73.02952	2.7
78.95916	23.5
85.02972	3.8
87.00892	3.7
89.02442	3.5
96.96039	2.6
99.00894	3.2
101.02486	3.9
109.06593	5.9
111.08160	2.2
125.09744	2.5
152.99620	12.7
161.04639	2.6
163.11278	5.9
169.90051	2.1
171.10251	22.8
185.11797	2.8
197.11861	6.1
201.11311	15.4
207.10295	17.7
209.11760	2.6
225.11330	20.1
232.03705	2.1
235.08212	8.0
253.09332	5.7
255.23451	2.4
274.17068	2.3
277.21747	100.0
278.22037	11.6
279.23303	7.0
293.21304	3.8
330.07300	2.2
353.14444	2.4
401.84161	2.6
429.20239	2.5
445.19196	2.8
461.19952	5.1
721.41681	5.5
739.41650	23.2
740.42505	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	739.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	4.0
59.01385	69.8
61.98843	34.8
71.01383	43.8
71.55894	4.8
72.99325	4.0
73.02955	12.3
75.00883	3.3
78.29176	2.7
78.95901	6.7
81.26763	2.7
83.01396	5.8
85.02962	24.5
87.00884	5.4
89.02457	12.1
95.01395	4.8
96.95384	5.1
96.96019	100.0
99.00875	4.3
101.02456	23.8
113.02470	21.4
119.03515	6.2
121.73218	3.2
124.01729	3.5
125.02422	9.2
135.04588	3.0
143.03552	5.0
150.06778	3.4
161.04565	5.1
163.07645	37.9
167.12958	3.5
173.04544	6.8
191.05666	17.2
209.11874	9.4
237.14917	4.1
300.91769	3.2
329.30713	3.3
331.50684	2.9
473.33344	6.3
491.33997	26.0
635.40204	96.4
636.39972	17.9
653.41174	73.8
654.41248	9.0
695.42419	13.8
697.32410	4.5
739.33191	27.5
740.35413	3.0
758.34137	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10223	1.5
59.01379	15.3
61.98827	3.1
71.01385	11.2
71.04997	3.4
73.02937	1.7
76.32777	1.4
78.95893	7.1
80.87263	1.7
80.96536	1.8
85.02930	4.1
87.00875	2.1
89.02435	4.7
92.31709	1.6
93.05338	1.8
95.04984	2.5
96.96001	1.9
97.02940	3.3
99.00883	11.7
101.02444	6.5
108.62502	1.5
109.06602	3.5
113.02451	3.3
125.09715	6.8
148.82164	1.7
152.99588	2.9
161.04564	2.3
162.75189	1.8
163.11319	9.8
171.10262	23.5
181.12357	14.0
191.05646	2.8
192.31264	1.5
199.13400	9.3
201.11279	4.8
207.08397	2.2
207.10262	32.2
209.11784	2.8
225.11342	66.3
226.11589	2.8
229.41226	1.8
235.08263	4.4
243.12346	9.0
253.09340	8.0
259.20789	1.8
277.21756	100.0
278.22107	10.8
279.23203	4.9
280.23700	2.5
291.19696	2.4
293.21292	4.1
325.03677	1.9
443.19141	3.7
461.20413	14.3
462.20599	2.7
479.21487	1.9
494.38348	2.0
657.33228	4.6
721.41553	12.6
722.42242	4.6
739.42676	97.4
740.42859	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06783	6.0
59.01388	23.3
61.73571	7.2
61.98836	67.0
70.85445	14.5
70.85798	7.9
71.01379	14.1
84.81098	6.0
85.02972	9.0
89.02466	7.4
96.96012	11.5
99.92822	6.1
101.02473	13.1
109.06612	13.0
113.02429	7.8
140.90677	6.2
163.07657	16.0
163.11290	14.1
182.12970	6.7
191.05629	10.0
207.10272	55.2
208.10677	7.2
208.37321	7.7
209.11870	100.0
225.11261	35.5
227.12918	30.0
235.08263	8.8
247.73036	6.7
253.09233	18.7
314.33636	8.5
315.08807	13.0
351.97144	6.8
399.21661	9.0
457.20358	6.5
461.20209	19.9
491.33813	11.7
514.38300	8.8
635.30756	43.7
635.39850	13.6
653.31903	51.4
654.31989	13.6
671.32544	52.9
672.33130	14.3
739.31909	32.3
740.34241	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	739.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.2
60.99306	9.9
61.98833	61.1
71.01374	15.2
78.95948	6.6
82.48437	6.5
85.08652	7.8
88.98820	100.0
89.02460	11.5
96.95981	23.2
96.96533	6.2
98.20694	12.0
101.02471	9.7
109.06561	8.4
131.73642	6.3
141.03076	7.0
163.07639	18.8
163.94244	7.6
171.10326	7.7
179.16479	7.4
191.05554	33.6
207.10324	36.4
209.11829	98.5
210.12024	8.5
223.13438	10.0
225.11336	23.1
227.12941	15.1
399.22083	8.4
423.63782	7.0
445.20569	8.9
480.84225	6.9
482.98993	6.8
635.31128	34.3
635.40063	12.7
653.31726	44.6
671.32513	34.1
672.32764	13.8
739.33508	20.9
740.33612	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	737.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14599	6.5
59.01358	7.2
61.98837	9.4
69.49009	34.4
69.49416	15.8
73.67526	6.6
78.95912	44.9
105.89333	7.9
152.99562	25.7
196.89600	8.9
209.11861	54.2
227.12799	17.0
235.08273	15.4
255.23308	100.0
277.21729	13.2
279.23270	35.4
359.09573	7.6
389.93127	7.6
404.66434	7.8
491.18475	6.8
491.32333	12.5
501.27802	7.3
532.08832	7.7
594.76843	7.8
633.83459	7.0
737.42181	30.7
752.78931	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.0
66.81059	0.2
81.03471	4.2
83.05035	12.8
84.05323	0.2
98.20770	0.5
107.06182	0.4
107.07320	0.2
108.04522	0.4
121.61943	0.2
125.07210	0.8
126.05612	0.3
143.08276	0.4
207.15021	0.9
224.17747	2.1
225.16104	11.6
226.16435	0.9
227.05484	0.2
242.18758	0.8
309.21924	0.6
318.48428	0.2
324.26797	0.5
333.22900	0.6
341.29205	0.8
350.24380	0.2
367.27216	1.1
393.05380	0.2
433.31805	1.0
450.34494	0.7
451.26642	0.5
451.32904	7.6
452.33072	1.2
550.43671	1.0
551.43402	0.4
559.40192	0.3
565.44250	0.4
567.46277	0.3
593.44159	0.5
601.02820	0.2
659.48273	1.4
660.49713	0.3
677.49744	100.0
678.50037	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	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98835	100.0
69.44646	0.5
69.45061	0.7
71.01398	0.9
75.57919	0.1
78.99657	0.2
79.23098	0.1
81.75563	0.2
83.32941	0.2
85.02983	0.2
87.00910	0.3
89.02455	0.8
98.20753	0.2
101.02441	0.8
107.01421	0.2
125.02427	0.2
126.65168	0.2
127.84561	0.2
135.13701	0.2
139.78067	0.2
151.00401	0.6
172.53720	0.2
178.99814	0.8
191.05632	0.2
207.10695	0.2
209.11887	1.4
225.11267	0.2
253.09361	0.2
275.20337	0.3
277.21664	0.8
278.22174	0.7
279.22726	0.4
293.21326	0.7
382.05820	0.2
397.13718	0.5
398.14053	0.6
399.13977	0.8
400.14188	0.3
409.13290	0.7
415.14688	0.2
417.15607	0.3
487.39536	0.2
608.20349	0.3
608.70593	0.3
642.78174	0.2
644.08655	0.2
738.30914	0.9
738.81793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03454	0.9
59.01385	12.0
59.01662	1.2
61.98835	1.0
68.36269	0.6
69.03465	1.0
70.61674	0.7
71.01387	5.6
71.56203	0.8
73.02949	1.7
78.95914	0.9
80.02691	1.2
80.96497	0.8
81.03481	2.6
83.05051	2.7
85.02983	2.2
85.11967	0.6
87.00891	1.4
89.02454	4.0
92.85617	0.6
93.03443	0.8
95.01394	0.8
95.05029	0.6
96.96012	1.9
97.02967	5.7
99.00863	1.1
101.02450	5.9
106.04276	0.7
109.06606	25.5
110.03773	1.4
110.06937	0.8
113.02480	3.0
119.03495	1.2
121.06659	1.3
121.10218	0.8
123.04537	3.1
135.08185	3.6
136.05330	1.5
142.02731	1.4
143.03503	1.1
145.05099	1.2
151.00429	0.9
161.04575	2.9
161.09706	1.9
163.11287	16.6
164.11594	0.7
171.10297	4.0
179.05663	0.9
179.10823	1.1
179.14427	0.9
181.12393	2.8
189.09239	2.1
191.05666	2.0
195.13948	9.2
196.14473	0.9
205.12372	1.1
205.15977	0.9
207.10271	83.7
208.10628	4.7
209.11858	5.6
211.13449	1.9
217.00256	1.3
223.13419	6.8
225.11337	26.4
228.13568	1.0
233.05589	0.7
235.08221	4.1
253.09291	23.8
256.13242	0.8
275.20178	8.8
276.20728	1.0
277.21674	0.9
291.19632	4.1
293.21246	100.0
294.21509	8.4
299.02072	1.0
299.15131	0.8
322.43546	0.6
397.13281	0.9
432.92514	0.7
443.19363	3.8
461.20383	6.7
483.31000	1.4
607.13306	1.2
611.11072	0.8
719.40082	2.2
737.41193	37.8
738.41364	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48963	0.4
55.01886	0.4
57.03456	1.1
59.01384	7.4
61.98821	1.1
65.38067	0.5
69.03467	3.8
70.27583	1.0
70.27974	0.7
70.93170	0.4
71.01391	5.9
71.05023	1.1
73.02941	1.2
75.00870	0.5
78.95895	0.9
80.96521	0.8
83.01401	0.7
83.05016	1.1
84.56538	0.4
85.02950	1.6
87.00874	1.2
89.02454	2.0
97.02972	0.8
97.06577	0.9
99.00883	1.2
101.02454	4.2
112.71680	0.4
113.02454	1.9
113.38418	0.5
119.03559	0.6
123.08158	1.2
125.09755	2.3
149.09727	0.5
151.10294	0.5
151.11320	3.0
153.12791	0.8
160.25476	0.5
161.04593	1.0
161.09738	3.8
169.12335	1.0
179.10773	8.3
180.39343	0.4
191.05630	0.8
197.11847	44.6
198.12193	1.7
209.11821	1.0
223.09761	1.4
225.00900	0.4
228.62640	0.4
235.08281	1.3
241.10762	1.8
244.51161	0.4
253.09319	2.5
275.19995	0.5
277.21747	52.0
278.22101	5.0
279.23309	1.0
318.47058	0.5
426.97592	0.5
459.18848	1.2
477.19644	1.1
719.40161	0.6
737.41193	100.0
738.41559	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	737.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67019	0.3
59.01377	0.9
60.99313	17.4
61.98835	0.4
62.67213	0.3
71.01389	0.7
85.02957	0.5
85.38164	0.3
88.98813	100.0
89.99155	0.8
96.96026	0.8
113.02491	0.6
124.95567	0.4
177.76645	0.3
183.03534	0.4
188.74725	0.4
420.69418	0.4
647.37988	1.0
648.39355	0.4
677.33966	0.4
677.84558	0.7
737.43939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03431	1.2
57.92322	1.2
59.01384	38.4
61.32265	1.4
61.98828	2.5
69.03460	1.9
71.01014	1.8
71.01389	32.1
71.03223	1.2
71.03560	2.3
72.99318	1.4
73.02943	4.9
81.03436	1.8
83.01395	4.1
85.02969	8.8
87.00868	6.6
88.02710	1.0
89.02457	25.2
91.03996	1.3
93.03541	1.0
95.01401	2.3
96.96002	2.3
97.02967	6.1
99.00861	1.9
101.02457	25.3
103.23482	1.2
109.06611	6.9
113.02451	11.3
119.03496	6.4
125.02457	10.4
131.03491	1.7
135.08171	1.3
139.04181	1.4
143.03525	5.3
161.04575	6.9
163.11256	3.5
179.05588	5.3
181.12363	1.1
191.05682	2.3
195.13902	1.4
207.10274	15.9
209.11870	8.2
211.13380	4.0
215.17349	1.3
221.06664	1.9
225.11305	7.7
235.08240	12.7
253.09265	6.3
271.02597	1.2
275.20111	3.2
277.09430	1.5
277.21790	1.7
279.23300	92.7
280.23660	6.5
287.07681	2.7
291.19669	6.8
293.21304	12.9
299.01944	3.6
305.08752	5.1
323.09787	1.5
397.13541	100.0
398.13870	7.7
415.14597	34.6
416.14691	3.2
461.20261	4.0
607.13049	4.3
677.37891	2.5
737.40833	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18982	0.4
55.01896	0.4
57.03447	1.2
57.76634	0.4
59.01385	5.2
64.64274	0.3
67.01895	0.5
69.03458	2.9
70.96764	1.1
71.01392	4.6
71.05048	2.1
73.02961	0.9
78.95931	0.8
83.01394	0.7
83.05016	0.6
85.02963	1.2
87.00876	0.9
89.02466	2.5
90.33012	0.4
95.01413	0.4
97.06586	0.7
101.02449	2.9
113.02480	1.4
116.50941	0.4
119.03458	0.6
123.08148	1.2
125.09755	1.8
151.11296	1.5
152.99603	0.6
153.12898	1.8
161.04570	1.0
161.09697	3.4
169.12340	0.8
171.10077	0.4
179.10794	6.0
197.11844	80.3
198.12187	4.3
205.08649	1.0
213.10887	0.4
223.09741	1.9
241.10788	4.0
253.09271	2.8
277.21750	25.8
278.21896	2.0
279.23303	0.8
291.00516	0.3
306.53375	0.3
314.01340	0.4
384.84482	0.4
459.18600	1.3
477.19934	2.7
575.36200	0.5
673.58813	0.5
719.40424	0.5
737.41187	100.0
738.41418	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	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48919	0.8
59.01384	2.1
61.98830	8.1
63.96245	1.2
65.73225	0.7
69.03448	1.2
70.19973	3.3
71.01390	8.3
73.02955	2.0
78.98598	5.2
79.95745	11.9
80.96526	74.8
81.03474	1.0
85.02964	3.7
87.00877	2.0
89.02434	0.9
94.98093	15.5
96.96011	2.5
97.02950	1.4
98.20646	1.2
99.00917	1.1
101.02452	3.6
106.98100	3.0
113.02470	1.5
122.97638	3.6
125.02464	3.6
127.04066	1.4
134.97585	5.0
136.99164	0.8
138.90123	0.6
146.97548	0.8
148.99187	7.6
152.98650	6.3
164.98631	15.0
168.23524	0.6
191.05614	2.1
206.77802	0.7
206.99666	3.5
209.11813	4.0
215.12953	0.8
225.00760	24.7
226.01012	0.9
280.55447	0.7
283.19269	0.9
290.14471	0.7
509.17203	4.7
520.67657	0.8
545.87622	0.8
737.30646	100.0
738.30872	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
63.04498	1.0
63.96233	2.1
71.01392	7.4
73.02979	1.2
78.95906	8.1
78.98589	7.5
79.95335	1.8
79.95750	15.0
80.96525	78.5
85.02940	2.8
87.00881	3.2
94.98096	19.8
95.31636	1.0
96.96035	1.8
96.96974	1.2
97.02917	1.4
100.53626	1.0
101.02462	2.4
106.98100	2.8
115.59153	1.2
122.97607	6.5
125.02467	2.3
134.97604	7.1
136.99097	2.2
148.99182	8.0
152.98605	6.6
152.99669	2.7
158.82867	1.0
164.97296	1.7
164.98631	15.8
196.89192	1.1
206.99658	3.5
225.00755	20.7
255.23248	4.0
256.23572	1.4
277.21634	3.6
279.23309	4.3
479.15430	2.5
537.27637	1.3
735.39923	100.0
736.40192	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	735.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11933	4.2
61.98860	4.4
63.82884	3.1
68.15062	3.5
71.36742	5.2
78.95897	15.3
96.96037	6.8
109.06589	7.2
152.99600	6.2
154.98892	3.3
163.11209	4.1
207.10291	44.6
225.11324	11.4
235.08195	10.5
240.40517	3.6
253.09291	10.8
255.23317	100.0
256.23697	8.8
259.95663	3.2
278.37488	3.3
279.23221	4.3
293.53259	3.7
298.13864	3.2
315.99280	3.5
336.33264	3.2
409.25214	4.1
443.19275	5.0
491.32492	7.4
681.42114	4.2
699.43323	44.3
700.43744	9.7
728.89124	3.2
735.42694	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	736.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
59.64278	0.1
61.98836	100.0
62.98545	0.2
71.01385	0.2
85.02978	0.1
92.44697	0.1
94.24699	0.1
96.96043	0.2
107.60140	0.1
148.58382	0.1
172.89778	0.1
304.28561	0.1
335.87521	0.1
523.87604	0.1
688.25549	0.1
736.44360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54586	1.5
56.33018	1.3
59.01385	4.3
62.14478	1.1
67.01889	4.2
67.79843	1.3
70.30730	2.5
70.31110	2.7
71.01394	6.2
81.03468	1.5
85.02974	10.4
87.00864	2.9
93.03465	25.2
94.03731	1.3
96.96016	1.9
98.95515	1.3
99.04489	1.6
101.02461	3.0
104.99332	1.5
107.05022	4.0
109.02969	7.5
111.04519	5.7
118.38318	1.4
119.05012	1.4
123.93501	1.1
126.44695	1.2
126.82856	1.4
127.03990	3.5
127.04919	1.3
133.02960	4.3
134.03761	1.9
135.04541	44.5
136.04865	1.8
137.02455	2.7
147.04578	1.9
152.02931	1.3
155.03497	3.5
157.02983	2.2
159.04561	1.6
161.02457	3.8
163.04031	3.6
173.04559	79.2
174.04871	3.8
179.03520	39.1
180.03824	3.8
189.03886	1.7
189.97736	1.4
191.05621	100.0
192.06000	4.3
207.05093	14.6
209.04591	1.7
219.03008	1.3
229.01442	14.7
277.04889	1.4
293.04443	2.4
294.05048	1.5
295.06000	3.8
297.02228	1.8
321.03906	3.8
339.05048	6.9
353.08789	63.2
354.09009	5.5
359.48483	1.3
383.09854	9.6
461.16278	1.5
513.10522	10.7
514.10919	1.9
571.69556	1.4
690.86420	1.5
705.16675	4.8
737.19312	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	732.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75595	0.1
52.84872	0.1
59.01380	0.3
61.56842	0.1
61.98837	100.0
62.86978	0.1
69.20635	1.2
69.21045	0.3
71.01435	0.2
80.48329	0.2
80.96524	0.2
88.98843	0.2
96.96024	0.7
112.98627	0.2
113.02464	0.2
125.02412	0.2
171.10385	0.2
191.05681	0.3
200.58061	0.2
208.61710	0.1
234.06636	0.2
245.75551	0.2
305.04678	0.1
374.21161	0.1
699.34985	0.4
733.45184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4535
Annotation	beta-Hederin
Peak:m/z	Relative Intensity
59.01111	0.5
59.01384	7.4
61.98820	0.8
67.19794	0.3
70.34678	0.3
70.56988	1.1
71.01393	2.6
72.99312	0.6
73.02946	0.8
78.95896	1.2
80.94820	0.3
83.01369	0.5
85.02952	2.3
86.00114	0.6
87.00884	0.4
90.32462	0.3
92.22211	0.3
96.96029	2.2
98.20517	0.4
98.95596	0.7
99.92615	0.4
101.02454	2.3
103.04033	0.5
113.26148	0.3
115.03999	0.4
131.03487	1.2
255.23259	0.6
261.74051	0.3
391.22562	0.4
455.35303	13.7
456.35611	1.9
569.38293	2.8
587.39490	3.9
588.40051	0.6
631.37854	0.5
733.45355	100.0
734.45673	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16854	3.6
61.98839	9.5
63.25357	4.6
64.46176	4.1
72.66519	4.0
78.95930	6.6
164.98698	3.6
400.92984	4.8
455.35394	100.0
456.35751	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	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.98837	100.0
62.98536	0.2
62.99252	0.1
71.01409	0.2
73.02965	0.1
85.02981	0.2
89.02470	0.1
96.96065	0.1
98.19835	0.2
101.02457	0.2
131.03584	0.1
209.11774	0.1
236.87468	0.1
239.23912	0.1
286.99323	0.1
455.35233	0.8
456.35718	0.7
484.16965	0.1
569.38629	0.1
570.38739	0.3
587.39648	0.3
588.39667	0.3
726.30035	0.1
733.45313	1.4
733.57336	0.1
734.45728	3.3
735.45453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87858	0.6
59.01381	7.2
61.98838	100.0
63.96238	1.0
64.09950	0.6
65.77866	0.6
66.16197	0.6
69.03442	0.8
71.01402	8.8
71.56446	0.9
72.99298	0.8
73.02956	2.0
78.95923	1.1
78.98592	4.7
79.95737	9.2
80.96526	51.4
81.03460	1.1
83.01409	0.7
85.02953	4.3
87.00902	2.2
89.02464	1.6
93.03471	0.7
94.98092	12.5
96.96030	9.9
97.02984	1.0
98.10726	0.6
101.02476	3.8
106.98111	2.7
113.02435	1.2
116.92860	0.9
122.97607	2.8
125.02470	2.7
131.03537	0.8
134.97604	4.3
136.97142	0.7
136.99129	0.8
137.93483	0.6
148.99173	3.9
152.98657	5.4
164.98650	9.5
191.05632	4.4
191.07149	0.8
206.99765	2.6
207.10294	1.0
209.11842	2.3
225.00769	15.9
339.18124	0.7
352.54907	0.7
400.99744	0.7
442.11282	0.9
469.11325	0.7
471.34766	2.0
507.15512	2.3
509.17316	1.5
591.30786	0.7
603.38898	1.3
662.66150	0.8
735.29242	66.8
735.43060	12.3
736.29529	12.2
736.42780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
57.49623	0.3
58.21620	0.3
59.01386	1.7
66.01102	0.4
69.29238	0.3
71.01389	1.1
71.56609	0.3
72.99305	0.3
76.03197	0.4
85.02957	0.8
87.00890	0.4
89.02462	1.0
91.01931	0.4
93.03489	0.5
95.01380	0.7
99.16441	0.3
101.02514	0.3
113.02455	0.5
119.03542	0.4
120.02187	1.5
121.02969	100.0
122.03293	3.6
135.04532	0.4
136.01686	1.3
161.81821	0.3
181.05040	0.7
191.05659	1.9
197.76488	0.3
209.04568	94.0
210.04918	5.2
225.11118	0.4
274.41626	0.3
357.47723	0.3
436.29620	0.4
519.24493	1.7
549.21979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25721	0.1
57.11896	0.1
59.01393	0.1
61.98834	0.3
69.51733	0.7
71.01370	0.3
75.00874	0.9
78.95912	1.4
79.95744	3.7
85.02967	0.8
96.96022	100.0
97.95966	0.3
98.20625	0.2
99.00928	0.1
99.17247	0.1
113.02470	0.5
114.93418	0.2
224.16959	0.1
455.35181	0.2
482.58865	0.1
524.10907	0.1
589.35590	0.1
627.89026	0.1
631.38477	4.3
632.39038	0.8
669.34430	0.3
711.33685	0.1
729.42285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68940	0.2
61.98822	0.4
62.77012	0.2
64.44442	0.2
71.55221	0.2
75.00874	1.0
78.95903	1.9
79.95741	3.6
80.96523	0.2
85.02965	0.9
87.33504	0.2
96.96017	100.0
97.95923	0.3
101.95163	0.2
113.02454	0.5
116.92799	0.2
117.70760	0.2
129.48886	0.2
153.02707	0.2
154.82124	0.2
161.66986	0.2
191.05630	0.4
251.05499	0.2
279.56155	0.2
354.22888	0.2
362.07184	0.2
434.32150	0.2
631.38568	4.4
632.38928	1.1
729.30676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03454	4.3
59.01372	4.7
61.98841	5.0
66.78317	0.6
67.01875	0.8
71.01400	7.6
71.25141	1.0
71.25471	0.9
72.99294	3.1
73.02951	0.9
74.30064	0.7
75.00879	19.1
78.69583	0.7
78.95894	1.2
79.85377	0.8
79.95732	0.7
80.91679	1.3
82.76775	0.7
82.95429	0.8
83.01396	1.4
85.02956	18.3
87.00874	2.7
89.02489	1.2
93.03467	1.3
95.01388	1.7
96.96019	45.0
99.00870	2.6
101.02445	1.0
113.01742	0.9
113.02469	14.3
115.00383	1.0
126.50598	0.8
129.01935	0.8
135.04533	1.0
157.01401	1.7
159.56519	0.8
191.05615	5.3
209.11867	1.2
223.13420	0.9
423.32663	1.9
466.98737	0.8
469.33084	1.1
471.34943	6.9
472.35107	1.1
631.34851	1.3
647.37988	100.0
648.38306	20.4
669.36017	10.1
670.36182	1.7
713.34015	1.1
729.38550	11.1
730.38995	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	729.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75702	0.9
55.01888	1.3
57.03445	4.6
59.01391	7.3
61.98833	1.3
67.01891	1.2
69.03449	1.2
70.10270	4.4
71.01384	9.2
72.99305	4.5
75.00879	35.1
78.43959	1.0
78.91883	3.0
80.91691	44.1
82.95431	1.3
83.01382	2.4
85.02962	29.6
87.00883	3.9
89.02460	1.5
95.01402	3.5
96.96031	5.1
98.19955	1.2
99.00887	3.9
111.00861	1.9
112.01623	1.3
113.02456	17.7
115.00411	1.5
129.01942	1.1
139.00345	1.1
157.01483	2.0
175.02531	1.3
191.05580	1.8
197.00806	1.1
200.47520	1.0
201.11359	4.0
209.11874	10.3
223.13412	11.1
253.09274	1.7
289.11270	1.0
417.68100	1.4
440.48978	1.1
453.34018	1.5
459.22647	1.7
471.34943	3.1
647.38007	100.0
648.38306	24.1
651.34906	2.3
669.36151	7.8
670.36957	2.4
729.38446	41.3
730.39014	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	729.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81842	32.0
53.79114	34.6
56.45622	39.1
58.81240	35.7
61.98819	100.0
67.91486	38.2
71.40241	50.4
106.30008	36.5
152.99510	51.8
158.91589	33.6
160.88924	39.6
262.42227	44.0
374.33923	40.5
583.84729	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
59.01385	16.1
61.98816	2.6
62.13913	0.7
65.16631	0.7
71.01388	5.8
72.99331	1.3
73.02933	1.6
78.95892	1.2
83.01399	1.3
85.02945	5.4
87.01608	0.9
89.02472	1.5
96.96003	1.5
101.02441	5.4
101.03008	0.8
103.03984	1.0
109.59120	0.7
111.06907	0.8
131.03481	4.9
150.90895	0.8
157.15215	0.8
184.21898	0.7
200.30231	0.8
240.67784	0.8
256.96692	0.8
453.33685	6.8
454.34094	1.8
541.38135	1.1
567.36829	1.0
571.59937	0.9
576.76440	0.9
585.37903	7.1
586.37939	1.8
588.62390	1.0
629.37292	1.5
687.44757	3.6
731.43799	100.0
732.44135	31.2
732.57361	1.5
753.09607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20044	0.2
59.01378	0.5
63.22251	0.2
67.01855	0.3
69.66355	1.5
71.01389	0.3
75.70886	0.2
78.95914	1.0
85.02953	2.3
87.00871	2.1
93.03458	2.6
96.96024	1.1
109.02974	0.5
111.04522	0.8
117.03470	0.3
119.05060	0.4
121.02966	0.4
127.04009	0.9
133.02972	3.4
134.03761	5.2
135.04538	25.5
136.04866	1.0
136.98561	0.8
137.02458	0.6
155.03526	0.5
157.05064	0.8
161.02449	13.3
162.02859	0.4
163.03987	0.6
166.99632	0.5
173.04567	1.4
177.01877	0.2
178.02722	0.4
179.03506	22.2
180.03853	0.8
183.00661	0.3
187.85930	0.2
189.01704	4.9
191.05621	25.3
192.05986	1.1
201.01707	15.0
202.02049	0.7
215.03264	0.5
243.02695	0.3
308.86273	0.3
350.82071	0.3
353.08875	1.5
375.06976	100.0
376.07315	7.3
391.04507	1.3
422.29465	0.3
567.13245	2.7
729.15930	2.6
730.16614	0.4
743.91754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93118	0.3
59.01369	0.5
63.24614	0.3
71.01366	0.7
71.45418	0.6
85.02947	0.6
87.00893	0.7
93.03478	1.3
96.96041	0.7
102.32625	0.3
111.04515	0.7
121.02974	0.8
121.29748	0.3
127.03996	1.1
133.02953	1.4
134.03754	10.8
135.04541	18.4
136.04855	1.0
136.98657	0.3
137.02458	1.0
150.03229	0.3
155.03500	0.8
161.02443	3.0
173.04568	1.6
179.03513	21.6
180.03830	1.1
189.01703	10.9
190.02036	0.4
191.05609	2.9
201.01717	38.0
202.02034	1.7
204.53532	0.3
215.03210	1.0
299.81494	0.3
323.50311	0.4
332.87112	0.3
353.08688	0.8
363.80832	0.4
375.06979	100.0
376.07281	8.6
512.61304	0.4
729.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21503	0.5
52.03144	0.6
57.03452	1.1
59.01374	1.8
61.98833	1.3
65.94081	0.5
66.77851	0.5
67.87001	0.5
69.80975	2.9
71.01387	9.1
72.99324	1.1
73.02959	0.9
75.00881	7.3
77.66996	0.5
79.95750	4.9
80.96529	4.1
84.99916	0.5
85.02966	7.4
87.00891	2.8
94.93715	0.6
95.01402	1.0
96.96020	100.0
103.00368	0.8
113.02460	7.6
115.00381	8.4
116.50865	0.6
121.28233	0.6
137.75967	0.5
150.97066	1.2
152.98642	2.3
157.01384	2.1
163.24451	0.5
166.96597	1.4
175.02487	12.3
201.62456	0.6
210.99297	0.6
218.76355	0.6
254.98174	28.4
255.98430	0.8
284.08414	0.6
369.20596	0.7
536.20502	0.7
647.37878	2.0
648.38458	0.8
727.33710	98.1
728.34076	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94619	1.1
58.42427	1.0
59.01109	1.5
59.01385	20.6
61.98829	1.2
68.50343	1.0
71.01386	4.4
71.40047	2.5
78.95896	2.3
85.02937	1.1
89.02458	1.9
97.87948	1.1
101.02452	1.9
113.02478	1.8
116.00175	1.0
117.53325	1.2
150.01308	1.3
152.99551	1.4
164.49734	1.1
171.10284	90.0
172.10609	3.1
191.05591	2.8
209.11870	7.2
210.12106	2.3
211.12422	1.6
235.08232	5.1
253.09276	7.8
255.23331	1.3
277.21744	100.0
278.22098	10.6
279.23309	4.9
280.23618	4.5
281.24445	3.8
330.56210	1.2
407.19440	1.4
513.30688	1.4
674.76953	1.4
727.45752	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	727.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.6
61.98835	26.8
64.92120	1.4
69.30439	10.1
71.01378	8.8
72.99319	2.6
73.02951	1.8
78.95912	41.9
82.08717	1.5
83.01373	2.3
83.05034	4.7
85.02960	2.9
88.98802	1.8
89.02456	6.7
93.03460	2.4
96.96019	6.7
96.96968	7.9
98.20628	2.6
99.09917	1.8
101.02443	7.5
104.38296	1.4
107.05051	2.1
113.02466	4.0
134.03738	1.7
135.04523	2.2
138.97989	2.1
151.04008	1.7
161.04546	1.8
163.07669	2.7
163.11234	2.4
173.04581	2.5
191.05617	5.1
201.11327	24.4
202.11636	2.1
209.11839	100.0
210.12239	5.4
227.12903	24.4
228.13187	2.0
230.09836	1.5
235.08307	5.2
241.01186	4.7
253.03487	1.7
253.09312	12.9
283.20087	1.4
301.07455	1.6
327.01230	1.6
437.20245	5.6
445.20749	14.3
521.27295	7.7
527.31940	2.2
565.28503	3.0
611.31396	1.9
623.35907	2.9
629.32074	2.6
637.32465	3.2
667.40491	2.9
727.33197	44.1
728.32996	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	726.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03435	2.2
59.01371	2.4
61.78416	0.7
61.98834	45.4
71.01395	5.1
72.99310	1.5
75.00874	11.2
85.02953	11.7
85.25563	0.8
87.00874	2.6
94.97322	0.7
95.01408	0.7
96.96017	1.0
99.00893	1.9
101.78980	0.7
113.02467	8.1
127.62148	0.6
127.70615	0.6
140.99677	0.7
149.06212	0.9
157.01430	0.7
175.02467	0.8
191.05766	0.8
194.56856	0.7
209.11829	1.1
422.52377	0.7
487.34354	2.6
663.37518	100.0
664.37866	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
57.03451	7.7
57.73607	2.1
59.01380	38.4
62.72773	2.1
65.80746	2.1
67.01875	3.6
69.03447	10.7
71.01388	17.4
71.55983	3.2
72.99293	2.9
73.02955	12.4
81.03468	5.3
83.01418	5.7
83.05054	2.4
85.02964	54.7
87.00886	100.0
93.03468	8.9
93.10028	2.1
95.01410	23.2
96.96031	6.4
97.02959	29.8
99.00902	3.0
99.04521	3.8
101.02473	4.1
103.04013	8.5
109.02982	10.8
111.00894	6.6
113.02460	19.0
115.00375	12.9
115.04044	3.1
127.04037	17.6
129.02017	2.3
139.00406	14.9
145.05093	6.9
155.03481	3.1
157.01456	8.4
169.05038	3.2
171.03056	2.5
173.04556	4.2
175.02504	55.0
175.04005	4.0
181.01581	3.0
191.05620	4.7
199.02510	43.5
217.03563	20.9
272.01080	2.5
285.06070	3.7
303.07181	17.3
321.08221	7.9
323.13528	3.2
345.08316	9.7
368.50421	2.6
372.04749	2.3
385.86063	2.1
387.09454	14.5
405.10556	5.4
436.07904	2.2
535.09058	3.3
563.12408	4.9
623.14368	8.0
679.81885	2.3
709.18237	16.3
710.19067	3.0
727.19672	16.2
728.19934	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.0
61.98834	2.4
69.03429	1.2
71.01389	2.9
71.54173	1.0
71.54544	1.3
78.95900	3.1
82.71853	0.9
83.20473	0.9
85.02949	1.6
91.94806	0.8
96.96015	1.9
101.02466	2.0
111.08192	1.5
113.02481	1.6
133.04950	0.8
149.09659	1.0
152.99561	1.3
161.04593	1.2
167.10802	2.0
169.12328	1.9
171.10287	0.9
178.27565	0.9
179.10754	1.0
179.14381	2.5
191.05655	1.2
195.13942	9.2
197.11853	30.6
198.12167	2.0
199.13429	1.1
205.12396	10.1
210.54208	0.9
223.13416	100.0
224.13753	7.0
230.88197	0.8
235.08286	3.2
253.09328	7.6
268.32565	0.8
279.23288	1.5
291.19632	3.1
309.20688	9.3
367.26620	0.9
429.26529	1.5
433.20505	1.1
441.21082	2.4
459.22321	13.0
460.22763	2.3
643.75812	1.0
665.35876	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	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11397	1.7
56.61058	1.7
59.01386	12.9
61.27705	2.1
61.47880	1.8
61.96030	1.6
61.98830	7.6
71.01387	5.1
71.55286	1.8
78.95901	4.4
83.43829	1.8
85.02927	2.1
89.02441	2.8
96.96029	5.7
97.06602	3.9
101.02469	5.1
107.87966	1.6
110.04643	1.6
113.02473	1.9
148.93546	1.6
151.11282	14.4
169.12357	90.2
170.12662	5.3
191.05574	4.9
195.10269	2.5
210.12465	2.1
213.11301	11.9
235.08199	2.1
253.09450	3.1
275.20221	2.8
277.21796	1.9
293.21207	13.9
449.20355	4.2
608.20587	2.2
725.41229	100.0
726.29144	2.2
726.41754	27.1
745.53760	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	725.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05442	0.4
59.01378	1.2
69.55154	3.0
71.01407	0.7
75.56543	0.5
85.02953	4.8
87.00867	1.0
93.03467	3.1
96.96037	0.8
99.04459	0.5
108.02060	0.4
109.02943	0.6
109.88428	0.4
111.04523	1.2
111.10255	0.5
119.05031	4.0
127.04028	2.0
133.02879	0.7
135.04494	1.3
137.02460	0.7
149.06082	0.9
153.02240	0.6
155.03456	0.8
161.02431	1.4
163.04025	9.0
167.95248	0.4
173.04550	1.5
179.03496	1.3
191.05617	100.0
192.05952	3.8
209.08122	0.6
324.77634	0.5
337.09464	2.3
353.08795	15.4
354.09039	1.6
371.13452	1.8
640.16168	0.5
689.59210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16728	0.1
55.01882	0.2
57.03449	0.2
58.00598	0.2
59.01105	0.3
59.01387	3.3
70.83624	0.2
70.95254	0.1
71.01007	0.2
71.01395	2.7
73.02966	0.5
80.02686	1.1
81.03454	1.1
83.01383	0.4
83.05032	4.3
84.02176	0.7
85.02966	0.6
87.00883	0.4
89.02446	2.0
95.01396	0.3
95.05034	0.7
97.06618	0.2
99.00895	0.3
101.02452	2.0
109.06597	0.3
111.08227	0.2
113.02482	1.1
119.03543	0.4
120.01411	0.1
125.06108	0.5
125.09691	0.2
133.05145	0.2
135.08167	0.9
143.03499	0.2
161.04607	0.7
163.11301	3.4
164.11562	0.2
165.12834	1.8
179.05510	0.2
181.12303	0.5
191.10800	1.0
209.11838	100.0
210.12183	6.6
227.12895	9.0
228.13216	0.6
235.08220	1.2
253.09309	7.4
254.09521	0.4
275.20193	0.2
277.21738	46.8
278.22073	4.5
279.05695	0.2
445.20917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.2
57.03452	0.2
58.00610	0.2
59.01385	4.1
64.66096	0.2
69.42381	0.9
69.42802	0.6
71.01385	3.4
71.01741	0.4
73.02963	0.8
75.89645	0.2
80.02688	0.8
81.03469	0.7
83.01392	0.5
83.05033	3.8
84.02159	0.5
85.02962	1.0
87.00886	0.9
89.02453	1.6
95.01395	0.3
95.05035	0.4
99.00916	0.3
101.02449	2.7
113.02479	1.7
119.03528	0.4
125.06116	0.2
131.03516	0.3
133.05092	0.5
135.08237	0.3
145.05095	0.7
161.04597	0.8
163.11310	3.0
165.12866	1.4
179.05574	0.3
180.37566	0.2
181.12335	0.5
191.10776	0.8
209.11842	74.9
210.12178	4.8
227.12907	8.4
228.13226	0.6
233.22710	0.3
235.08231	5.3
253.09303	9.3
254.09645	0.5
259.20633	0.2
275.20059	0.3
277.21741	100.0
278.22083	9.1
293.26453	0.2
402.84485	0.2
445.20538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03466	3.9
59.01385	34.2
61.98836	14.4
68.94820	0.7
69.03440	0.6
71.01388	31.7
71.01783	1.5
71.40324	0.7
72.99310	1.7
73.02955	11.5
75.00873	1.4
82.95434	2.0
83.01400	6.0
85.02964	16.4
87.00874	1.7
89.02458	5.7
93.03441	0.8
95.01396	3.1
96.96010	4.8
97.02943	1.0
98.20659	2.1
99.00877	3.8
101.02453	25.7
102.78836	0.6
109.35969	0.7
113.02470	12.9
119.03543	1.9
125.02406	0.7
129.01968	0.8
143.03496	0.9
159.02971	2.5
161.04552	7.8
164.04820	3.1
165.09143	0.9
173.04541	1.4
177.05460	0.9
191.05634	3.1
209.11783	0.9
221.97409	0.8
225.11409	1.0
233.31973	0.7
379.19473	0.9
407.29626	0.8
412.09314	0.9
413.27103	1.5
419.30042	1.0
423.29239	0.9
439.32162	3.2
481.31836	1.3
483.30728	1.0
501.32294	2.8
525.34851	8.6
526.34747	1.3
531.33118	0.8
575.32343	5.3
601.37415	34.1
602.37970	6.1
615.35785	1.4
619.38269	2.3
633.36469	7.5
634.36719	0.9
645.36285	10.7
646.36682	1.8
663.37555	100.0
664.37958	19.8
687.38916	1.6
691.33740	1.5
723.38544	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	723.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96928	0.4
57.03452	55.7
58.03795	1.2
59.01389	2.9
61.98838	1.7
69.54131	2.9
71.01404	0.9
72.26237	0.4
73.02976	0.6
77.67193	0.4
81.03470	1.0
83.01402	0.9
85.02950	0.4
93.03474	0.7
96.96016	0.9
99.04527	23.8
100.04844	0.5
101.02451	12.5
109.02966	1.4
113.02491	0.6
123.00912	1.5
125.02452	13.0
137.02460	5.2
139.00400	0.4
143.03392	0.4
148.31467	0.4
149.02405	0.5
151.00381	12.0
151.04044	0.7
152.01160	1.6
152.04781	1.6
153.05586	0.4
159.04524	0.4
161.02554	0.5
161.04623	0.5
165.01921	0.5
166.02722	41.0
167.03387	3.0
173.04552	0.5
175.04089	0.6
175.07619	0.5
177.01999	1.3
178.02699	0.5
178.99768	0.5
179.03476	0.6
179.07259	0.4
181.05077	50.5
182.05399	2.3
184.03885	0.4
189.05748	0.5
190.06339	1.1
191.03676	0.6
191.05666	2.1
192.04272	0.5
193.05035	0.6
195.03006	0.6
205.05075	0.8
205.08687	0.6
207.06708	0.6
301.07327	0.5
359.11414	1.1
387.10681	10.5
388.11081	0.8
402.13147	6.4
403.13593	1.1
417.15549	100.0
418.15875	9.4
527.87024	0.4
561.19330	0.6
607.48303	0.4
687.36810	0.4
705.20227	1.0
723.24805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02322	0.4
57.03448	0.8
58.00593	0.8
59.01385	19.7
60.99295	0.7
67.01904	3.0
68.00971	0.4
69.03467	0.9
71.01010	0.7
71.01393	11.6
71.57296	0.6
72.58234	0.4
72.99312	0.8
73.02944	0.8
75.81299	0.4
78.95903	0.8
81.03476	0.7
81.63814	0.4
83.01387	1.5
83.05048	0.7
85.02963	4.6
87.00889	5.0
88.19418	0.4
89.02457	11.1
92.69176	0.4
93.03471	20.4
94.03826	0.6
95.01414	1.0
96.96028	6.6
96.96666	0.5
96.96957	1.1
99.00872	0.8
99.04517	0.6
99.08173	10.7
101.02456	7.9
105.03449	0.6
108.02223	0.5
109.02969	0.9
109.22394	0.4
111.04539	2.8
113.02460	4.7
119.03528	3.3
127.07668	4.0
129.09235	0.8
131.03496	0.5
133.02972	3.9
134.03740	0.9
135.04559	3.1
136.01675	1.7
137.02444	1.2
141.09210	1.1
145.08722	38.0
146.09053	0.6
149.04538	0.6
151.04008	2.5
155.03587	0.6
161.02444	1.2
161.04575	0.5
173.04564	11.3
173.06068	0.8
174.04927	0.5
175.04034	0.3
177.01961	1.9
178.02692	1.3
179.03491	2.4
179.05621	0.6
187.09782	0.7
191.05629	8.5
192.06009	0.6
193.05038	1.9
215.05595	0.8
237.71773	0.4
307.14005	100.0
308.14371	6.2
351.07172	2.7
354.22253	0.5
357.13443	3.0
358.13696	0.5
367.10489	2.9
369.09753	2.5
370.09698	0.5
531.14722	0.4
543.15021	10.5
544.15344	1.9
637.72296	0.5
640.47284	0.5
665.89825	0.5
690.34747	0.4
723.21118	4.5
724.22113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66074	1.1
57.03448	2.1
59.01382	23.9
60.99308	4.4
67.01893	16.0
69.03459	4.2
70.09913	1.1
71.01389	18.1
71.54966	2.0
73.02953	1.1
78.95922	3.7
81.03465	2.3
83.01373	1.7
83.05045	2.7
83.10614	1.2
85.02952	8.1
87.00886	20.5
89.02457	11.8
93.03466	99.8
93.25805	1.3
94.03815	3.7
95.01374	1.4
96.96017	34.9
96.96932	5.6
98.47138	1.2
99.00889	3.3
99.04543	1.6
99.08164	9.9
101.02431	9.3
105.03474	2.4
106.89559	1.3
109.02963	2.8
111.04543	14.5
113.02460	4.2
119.03511	5.6
127.04030	1.4
127.07647	3.3
129.01915	2.0
129.09290	1.3
133.02957	18.3
134.03738	5.7
135.04539	16.9
136.01677	18.3
137.02464	5.0
141.09279	1.8
145.08710	33.0
151.04027	32.5
155.03519	5.3
160.01642	2.5
161.02481	3.7
173.04555	53.4
174.04880	1.6
177.01949	8.3
178.02708	5.4
179.03470	11.5
186.95773	1.1
187.09750	1.7
187.11258	1.3
191.05629	32.1
192.05954	1.9
193.05014	5.5
215.05620	5.0
220.03886	1.4
289.11929	1.8
307.14008	100.0
308.14423	4.8
309.65005	1.2
333.10864	1.3
351.07166	20.4
352.07715	1.9
357.13434	36.5
358.13593	3.2
364.16473	1.3
367.10361	18.6
369.09860	10.9
375.16202	1.1
395.07813	1.3
411.10907	1.3
531.15442	2.0
535.80328	1.4
543.15125	60.2
544.15741	5.8
551.27332	1.2
723.21265	27.4
724.21979	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	723.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10596	0.7
55.01885	0.7
55.53913	0.7
59.01382	18.9
67.01886	1.3
71.01389	6.7
72.91602	0.8
73.02956	1.4
77.03970	1.1
81.03457	1.4
83.01388	1.6
83.05046	3.2
85.02956	4.8
87.00873	1.4
89.02458	3.8
89.03955	0.9
93.03470	12.8
95.01363	1.2
95.05046	4.4
96.96005	4.2
99.00990	0.7
101.02457	4.7
101.51743	0.6
105.03470	12.6
109.02949	1.4
111.00890	1.4
111.04517	7.3
113.02469	3.0
119.03493	0.8
121.02990	2.7
123.00891	0.9
123.04564	1.4
127.04040	1.7
129.01944	1.0
132.02168	1.6
133.02971	100.0
134.03780	25.0
135.04541	21.3
137.02457	17.1
139.04005	4.4
149.02359	1.3
149.04474	0.8
150.03279	1.2
151.00381	1.0
151.04022	1.3
155.03503	7.0
159.04529	2.1
159.35777	0.7
161.02437	7.0
161.04607	2.2
173.04572	25.6
173.06075	1.4
175.04021	1.4
176.04848	3.9
177.01941	49.6
178.02719	40.4
178.99953	0.9
179.03502	17.1
179.05635	2.4
183.87872	0.9
191.05618	6.3
191.07213	3.2
193.05069	32.3
193.06836	1.7
194.05429	1.4
199.56512	0.7
203.03587	1.6
218.53577	0.7
239.07091	0.8
249.05553	0.7
251.07251	0.9
267.06693	1.0
295.06000	2.0
325.10806	1.0
339.05170	1.5
351.07196	16.2
352.07770	2.0
367.10226	0.8
369.09821	94.7
370.10202	9.9
427.56290	0.9
480.39288	0.7
543.14923	5.8
549.16101	6.6
580.95996	0.8
663.33746	2.9
705.19843	1.1
723.21448	45.6
723.33313	1.6
724.21765	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	723.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15147	0.6
57.03468	0.9
57.38316	0.6
59.01378	5.7
60.99304	1.5
67.01896	7.5
69.03456	2.2
69.70980	1.2
69.71394	2.6
71.01392	5.5
73.02930	1.1
79.95756	1.6
81.03465	2.8
83.05054	2.0
85.02955	12.1
87.00880	9.6
89.02433	1.2
93.03467	51.7
94.03808	1.4
95.05011	0.6
96.96019	40.6
97.95965	0.8
98.95609	21.5
98.96448	3.5
99.00887	1.3
99.04522	1.4
101.02441	1.0
105.03465	1.7
107.05025	0.7
109.02944	4.1
111.04523	8.5
113.02470	2.2
127.04015	3.0
132.02188	8.4
133.02974	16.0
133.03920	1.3
134.03764	1.8
135.04536	14.2
137.02466	3.2
139.04039	1.3
143.03551	0.8
150.03229	0.9
151.00360	1.2
151.04074	1.2
153.01811	0.7
154.68903	0.7
155.03441	0.8
160.01666	19.1
161.02477	7.6
161.04541	0.8
173.04561	23.9
174.04947	0.7
175.04004	2.6
176.04593	0.7
177.01910	7.3
177.05544	0.8
178.02715	2.6
178.99901	0.8
179.03467	6.3
185.02406	1.1
191.05626	100.0
192.04337	1.2
192.05965	3.1
193.05070	5.8
207.06729	1.3
215.05618	6.7
220.03734	2.3
295.80969	0.7
307.08093	1.1
308.08936	1.1
351.07199	18.3
351.12393	1.1
352.07962	1.6
367.10321	7.5
369.09845	8.3
370.10217	0.8
411.10916	6.0
471.12988	1.2
531.15094	12.5
532.15344	1.7
543.15100	25.6
544.15546	3.3
549.16809	1.4
613.13879	0.8
619.69489	0.8
620.47491	0.7
625.17413	1.5
705.19293	1.0
723.21417	39.2
724.22095	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	723.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
59.01382	1.6
60.99298	1.9
61.32544	0.4
67.01900	3.7
69.73647	0.4
71.01389	1.7
73.02979	0.6
81.03471	1.0
83.05021	0.7
85.02958	8.4
87.00876	5.6
93.03463	25.3
94.03796	0.5
95.05036	0.5
96.96000	0.9
99.00855	0.7
101.02386	0.5
105.03481	1.7
107.05026	0.5
109.02953	2.1
111.04532	4.2
119.05029	0.8
121.02953	1.3
123.04527	7.6
127.03998	1.6
129.01918	0.7
133.02966	19.4
135.04549	3.3
137.02475	1.1
149.02454	1.0
151.04063	1.2
155.03554	1.1
161.02422	1.7
163.04021	0.5
173.04565	18.4
173.06075	0.9
174.04890	0.7
177.01950	8.1
179.03511	1.3
191.05630	100.0
192.05911	3.1
195.03015	4.8
207.05096	1.5
215.05611	3.8
301.69019	0.4
351.07230	13.5
352.07327	0.6
353.08813	7.4
354.09015	1.2
369.08243	24.8
370.08542	2.7
383.63367	0.5
416.56583	0.5
721.91962	0.5
723.20648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
58.00603	0.4
59.01386	12.8
69.03436	0.7
69.12203	0.4
70.69516	1.1
71.01391	4.8
72.99318	0.6
73.02946	1.0
80.02686	1.2
81.03482	2.5
83.01417	0.6
83.05019	2.4
85.02969	2.4
87.00900	0.9
89.02459	3.6
97.02965	6.0
99.00904	1.4
101.02452	5.3
106.04212	0.8
107.05080	0.9
109.06602	35.6
110.03741	1.4
110.06955	0.7
113.02493	2.4
119.03495	1.0
121.06603	2.7
123.04603	0.4
131.15079	0.4
135.08188	3.6
136.05296	1.4
142.02728	2.3
145.05124	0.6
161.04607	1.1
161.09741	1.7
163.11313	17.1
164.11691	1.0
179.05617	0.9
179.10826	0.8
181.12352	3.6
189.09224	3.3
207.10284	100.0
208.10649	6.3
209.11801	1.4
225.11342	35.1
226.11736	1.6
235.08206	2.4
243.12355	0.5
253.09314	12.1
254.09659	1.2
264.21844	0.4
275.20270	0.5
277.21738	72.3
278.22079	6.2
281.13959	0.8
299.14905	1.4
423.32904	0.9
441.33728	1.3
443.19131	3.9
444.19681	0.6
461.20319	12.8
462.20743	0.9
485.32703	0.8
703.40125	0.9
721.41754	30.0
722.42084	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	721.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
60.99314	17.1
61.98829	0.7
71.01424	0.7
74.52966	0.6
75.00886	0.6
78.95917	2.3
85.02970	1.9
88.98814	100.0
89.99149	1.4
96.96043	1.5
104.18526	0.7
121.98516	0.7
152.99579	1.3
181.12421	0.6
191.05557	3.6
209.11844	6.5
211.13359	0.9
225.62164	0.6
240.06006	0.6
251.24278	0.6
255.23158	0.8
275.20096	1.3
293.21274	2.5
364.78503	0.6
631.38495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4176
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01894	0.4
58.00600	0.4
59.01106	0.7
59.01385	7.9
65.27570	0.4
69.57552	2.5
71.01385	4.5
73.02958	0.9
81.03470	1.1
83.01395	1.1
83.05031	1.0
85.02955	1.8
87.00881	1.2
89.02455	3.2
95.01414	0.7
95.05069	0.6
97.02959	5.3
97.06556	0.4
97.80083	0.4
98.19903	0.8
99.00896	1.2
101.02446	4.6
107.05034	0.4
109.06603	17.5
110.03749	0.8
110.06953	0.4
113.02487	2.2
119.03529	1.2
121.06625	1.0
123.04576	0.6
127.07664	0.4
135.08191	2.5
136.05315	0.9
142.02754	1.5
145.05101	0.8
161.04588	1.7
161.09729	1.4
163.11304	10.8
164.11569	0.9
179.05641	0.5
179.10744	0.5
181.12299	2.1
189.09274	2.2
207.10269	59.4
208.10634	3.4
209.11781	0.8
225.11325	19.3
226.11722	0.9
235.08211	5.0
243.12462	0.4
249.11211	0.4
253.09285	11.7
254.09755	0.7
269.76239	0.4
275.20236	0.4
277.21732	100.0
278.22073	10.0
293.88898	0.3
299.14941	0.8
331.80182	0.4
423.32297	0.6
443.19101	3.1
461.20343	4.4
485.32584	0.6
703.40759	0.6
721.41687	26.7
722.42065	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	719.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.0
67.95337	0.9
78.95915	100.0
80.96531	2.7
85.02956	1.8
94.98122	1.3
96.96972	8.4
98.19848	2.1
108.77541	0.9
118.69300	1.0
122.97607	4.9
134.98528	1.1
152.99605	50.4
156.61977	0.8
171.00740	1.6
171.10298	6.0
183.13905	1.2
196.89490	10.5
197.89516	2.9
211.13397	2.3
229.14326	1.3
253.21660	2.2
255.23320	66.4
256.23672	5.8
327.21811	5.8
344.02341	1.1
391.22577	17.7
407.52011	1.1
409.23459	5.0
410.23404	1.1
430.87396	0.9
463.20856	8.8
465.22443	2.3
483.23026	2.9
483.27393	3.3
483.33188	1.0
617.03723	1.1
719.45221	64.2
720.45551	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	721.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.1
59.52947	0.1
71.56910	0.1
79.95747	3.3
95.80085	0.1
96.96021	100.0
97.95969	0.3
103.05453	0.1
130.20976	0.1
191.05685	0.3
195.81979	0.1
199.03976	0.1
243.03043	0.3
255.03049	0.2
271.02518	0.8
299.01932	0.5
300.02646	0.5
314.04300	0.7
315.05118	1.2
548.75458	0.1
560.39160	0.1
623.16223	2.0
624.16498	0.3
637.69434	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	719.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
58.00600	0.8
59.01383	7.3
61.08553	0.7
61.98838	7.0
69.03452	3.0
69.26624	3.4
69.27051	2.6
71.01401	6.7
71.05032	1.8
73.02947	2.4
78.95933	0.9
80.02686	1.3
81.03451	1.7
83.01405	1.7
83.05031	7.0
84.02183	1.0
85.02957	3.4
86.10551	0.9
87.00868	1.1
89.02464	3.3
95.01434	1.1
95.05047	0.7
96.96021	4.7
99.00891	0.8
101.02455	5.3
110.55943	0.7
113.02431	1.6
116.92891	0.7
123.08168	0.9
125.09718	2.9
135.08173	1.2
151.11264	2.3
153.12914	1.8
161.02432	0.7
161.04524	1.7
161.09743	3.9
163.11305	4.3
165.12840	2.5
173.04594	1.0
175.79227	0.7
179.05502	0.7
179.10828	7.6
191.05605	3.0
197.11844	70.9
198.12224	4.3
209.11842	58.9
210.12140	3.0
219.14073	0.7
223.09804	1.1
227.12883	2.9
236.03296	0.8
241.10814	3.4
253.09283	2.8
278.75742	0.8
420.52869	0.7
421.02173	0.7
469.25845	0.8
477.19604	2.3
497.29294	1.2
647.38226	1.4
687.32355	100.0
688.32611	17.5
719.34711	24.3
719.45856	1.3
720.34668	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	719.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27258	15.2
59.01375	58.9
61.98817	29.3
62.09798	14.0
69.51326	100.0
78.95904	69.3
96.54740	14.1
121.95512	18.0
129.10397	14.8
147.62407	16.7
152.99557	29.0
165.70534	15.9
185.12755	18.5
255.23259	33.9
469.05502	16.6
683.41571	47.1
719.39349	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31287	0.6
57.40011	0.6
58.20587	0.6
59.01384	3.9
61.78498	0.5
67.01903	1.2
69.03452	0.9
69.56361	2.6
69.56773	1.4
71.01373	2.8
73.02956	1.0
75.40715	0.5
81.03462	0.7
83.05049	1.6
85.02956	13.5
87.00880	3.5
93.03461	10.8
96.96006	1.3
99.04512	1.0
101.02457	0.9
108.02163	0.8
109.02956	2.3
111.04536	4.2
112.11899	0.6
113.02515	0.6
123.04504	0.6
127.04018	3.9
133.02977	1.3
135.04509	0.9
137.02429	1.2
155.03494	2.3
171.03006	1.1
173.04550	8.8
191.05623	100.0
192.05951	3.4
221.06110	0.6
222.06868	1.6
226.05869	0.5
237.05533	2.5
238.06418	2.1
249.05530	2.7
250.06395	1.8
251.07213	1.5
253.05301	0.7
265.04959	3.9
265.44244	0.6
266.05829	14.9
267.06500	2.9
268.07452	9.7
269.04556	2.5
277.05042	2.8
281.08163	2.4
283.09787	6.8
284.10150	0.7
293.04526	15.1
294.05341	31.9
295.05597	2.8
297.04095	1.3
309.04306	0.6
309.07669	14.5
310.08041	1.8
312.06339	1.1
325.07327	0.9
327.08740	8.9
338.04373	6.4
339.04990	0.7
353.06662	99.2
354.06961	9.7
428.07401	0.6
431.09952	1.6
501.14096	14.5
502.14426	1.5
527.11969	58.4
528.12317	7.4
545.13214	5.0
546.13666	0.7
719.18201	7.4
720.18274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.3
61.98837	100.0
70.56489	0.7
70.56879	0.8
96.96026	0.8
123.96505	0.3
140.51448	0.3
236.46167	0.4
245.06216	0.4
268.78101	0.5
380.65457	0.4
450.32922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92764	0.4
57.03454	0.5
59.01384	2.0
60.99302	0.6
61.98822	1.9
67.01920	1.9
69.03467	1.4
70.30150	0.4
70.30489	1.4
71.01390	2.4
73.02963	0.4
78.95950	0.5
81.03465	1.2
83.01363	0.5
83.05032	1.5
85.02956	12.6
87.00887	6.5
93.03468	17.5
94.03787	0.8
96.96027	1.1
99.00919	0.4
99.04543	0.7
101.02457	0.8
105.03365	0.4
108.02222	0.5
109.02959	1.4
111.04533	2.7
112.83618	0.3
113.02461	0.6
121.02948	0.6
127.04039	3.2
129.01953	0.7
133.02969	4.6
134.03752	1.5
135.04495	1.1
137.02502	0.8
149.06067	0.7
155.03503	1.5
161.02432	0.6
171.02994	0.9
173.04570	6.7
177.01974	1.7
178.02698	0.8
191.05624	100.0
192.05977	3.2
221.06145	0.9
222.06934	0.7
223.07719	0.5
237.05530	1.6
238.06451	1.2
249.05502	1.4
250.06383	1.3
251.03668	0.4
251.07185	1.1
265.05084	2.5
265.07861	0.4
266.05838	5.1
267.06473	1.4
268.07465	0.6
277.05075	1.7
281.08228	0.8
292.03775	0.6
293.04593	5.7
294.05353	10.7
295.06055	2.0
309.07657	10.2
310.08032	0.9
316.43286	0.4
325.07211	1.1
327.08759	4.0
335.05524	1.0
338.04300	2.6
339.05084	6.5
340.05734	0.5
353.06662	32.2
354.06940	3.2
501.14157	6.0
502.14648	0.5
527.11963	72.5
528.12280	7.8
545.13184	0.7
586.80939	0.4
719.17719	3.0
720.19165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40368	0.2
59.01388	0.6
61.98836	100.0
65.84319	0.2
67.12207	0.2
71.01402	0.3
72.99364	0.2
75.00888	0.3
78.95909	0.3
82.95394	0.2
85.02968	0.5
88.98727	0.2
90.51438	0.2
96.96031	0.4
113.02457	0.2
118.95214	0.2
130.80640	0.2
139.83807	0.2
191.05663	0.9
229.52736	0.2
248.62462	0.2
265.23395	0.2
504.02005	0.2
634.36926	0.3
647.38635	0.3
716.39679	0.3
741.16589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83190	0.2
51.98374	0.2
59.01384	0.5
61.98834	100.0
62.98542	0.2
69.19289	0.4
69.19627	2.1
70.58119	0.2
75.57825	0.2
76.10183	0.2
78.95910	2.7
85.53451	0.2
89.02459	0.2
96.18679	0.2
96.96041	1.5
96.96964	3.2
98.20667	0.5
99.92606	0.4
104.42954	0.2
115.92111	0.6
119.05059	0.5
163.04001	0.4
164.04407	0.2
191.05672	0.4
230.70154	0.2
255.23213	0.5
256.23761	0.4
257.23975	0.2
397.13693	0.2
398.13956	0.3
399.13812	0.5
439.29800	0.2
578.16846	0.2
618.39282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82439	0.3
59.01391	1.3
59.22396	0.2
61.98837	8.3
67.51426	0.2
71.01389	0.7
76.84253	0.2
78.10353	0.2
78.95911	11.5
79.95739	3.4
85.02964	0.2
89.02437	0.6
96.96024	100.0
96.96941	17.6
101.02471	0.5
122.38261	0.3
127.04006	0.3
171.10304	1.6
182.31882	0.3
191.05684	0.3
207.10277	0.6
209.11948	0.4
225.11378	0.7
263.65027	0.3
273.17117	1.0
327.21881	0.8
356.49960	0.3
377.98264	0.3
451.29700	0.3
601.37915	0.3
619.38611	2.6
620.39172	0.8
717.37292	1.3
717.90192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.2
70.30739	2.1
78.95918	17.7
79.95734	4.5
88.77994	0.5
93.03487	0.9
96.96023	100.0
96.96948	22.4
108.42856	0.6
119.05031	4.0
121.65144	0.6
152.99611	0.9
156.97295	0.6
163.04022	2.1
170.48877	0.6
189.59784	0.6
191.05592	2.1
336.28445	0.6
345.84100	0.6
655.33887	1.7
715.35309	4.8
716.36041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58748	3.2
56.33796	3.4
59.01374	15.2
59.73249	3.6
61.98832	100.0
69.96119	5.9
69.96537	13.8
71.01398	17.3
71.97694	3.4
72.99305	3.7
78.95914	5.4
85.02955	3.4
87.00893	4.1
89.02425	7.1
96.95974	7.1
99.90852	3.6
101.02440	9.2
113.02422	7.2
125.02464	4.0
134.56264	3.5
143.03470	4.4
191.05588	7.4
235.08171	7.0
255.23245	7.9
256.23605	12.9
277.21744	4.9
281.24829	27.4
397.13507	67.3
398.13879	13.6
399.13922	10.0
415.14407	14.4
416.15082	4.9
601.23975	3.8
658.05621	3.9
679.38214	5.7
715.36804	29.2
715.47498	4.6
716.36542	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	715.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67702	1.5
56.75850	1.1
57.87821	1.3
59.01373	6.4
61.98832	3.3
65.44122	1.6
66.64989	1.3
69.03440	3.9
71.01395	5.3
78.95927	2.9
82.94682	1.2
86.00179	1.4
89.02469	3.0
92.14310	1.3
100.26457	1.2
101.02452	3.9
104.47350	1.4
114.56841	1.3
119.85323	1.3
125.09777	2.5
151.11253	2.5
161.09746	4.5
179.10794	7.5
184.99687	1.3
197.11861	38.2
198.12109	2.4
209.11819	1.9
230.77948	1.3
235.08295	1.4
241.10843	1.6
253.09314	2.5
255.23315	72.7
256.23663	6.1
272.89835	1.4
360.71292	1.6
427.19257	1.4
501.51236	1.9
715.42743	100.0
716.43103	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	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01387	30.5
61.98832	1.3
67.01924	0.8
69.03450	1.6
71.01390	28.0
72.99320	2.3
73.02952	3.2
78.95912	1.6
81.03490	1.5
83.01402	3.2
85.02969	5.5
87.00880	7.2
89.02453	24.3
89.04275	1.1
92.35612	0.9
93.03491	1.0
95.01414	1.7
96.96016	1.8
97.02959	3.9
98.19858	2.0
99.00880	2.0
101.02452	19.8
106.04696	0.8
111.04569	1.0
113.02461	10.8
119.03511	6.3
121.02953	1.0
125.02473	8.1
143.03493	3.1
161.04575	3.6
169.05098	1.0
172.09276	1.0
179.05649	4.5
191.05655	3.9
195.92656	0.9
217.07137	1.0
221.06691	2.0
229.38831	0.9
235.08264	9.7
243.46365	0.8
253.09250	2.5
255.23305	74.9
256.23660	5.7
277.21658	1.3
287.07672	3.6
305.08762	3.6
397.13516	100.0
398.13876	9.1
415.14594	30.5
416.14944	3.3
537.03455	1.1
602.16339	1.0
653.37744	5.0
654.37091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82010	0.2
61.98829	0.3
73.49046	0.2
98.19846	0.4
135.06087	0.3
191.05656	0.6
225.16058	0.4
451.32599	0.3
677.49622	2.8
678.50403	0.5
713.47375	100.0
714.47693	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83676	1.1
57.03456	7.4
59.01387	4.8
61.98832	7.5
67.01915	1.1
71.01389	7.0
71.56589	1.4
72.17094	1.2
72.99322	4.0
75.00877	38.7
77.30666	1.2
78.95909	1.6
80.91691	7.2
83.01399	2.1
85.02960	30.2
87.00902	2.3
89.02465	1.5
95.01406	3.6
96.96039	3.3
96.96983	1.3
97.02956	1.0
99.00877	2.3
101.02442	2.2
107.20708	1.0
113.02458	19.7
115.00425	1.4
116.01173	1.5
117.01957	2.1
129.01952	1.1
157.01445	1.5
191.05594	1.7
201.11452	1.3
211.13358	2.1
277.21881	3.0
287.00668	1.1
397.13651	7.6
398.13663	1.3
437.34216	1.3
453.33948	3.2
455.35324	8.9
509.36392	1.6
535.40460	1.3
555.37042	4.5
631.38525	100.0
632.38910	18.6
653.36572	8.7
654.37091	1.8
713.39069	39.6
714.39435	6.9
737.77441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
58.00593	2.0
59.01388	38.0
69.03445	1.8
71.01007	1.8
71.01389	29.8
72.99307	1.3
73.02939	3.6
78.47324	0.8
79.68367	0.9
81.03461	1.1
83.01376	2.6
85.02942	5.9
87.00885	7.7
88.17606	0.9
89.01937	1.7
89.02454	25.5
91.04093	1.0
95.01382	1.8
97.02961	4.7
97.37947	0.9
98.20654	2.1
99.00900	1.3
101.02448	19.6
113.02462	11.8
119.03526	8.4
125.02431	8.7
131.03539	1.1
133.05083	1.2
139.03990	1.1
141.01868	1.2
143.03526	4.4
149.04562	1.6
161.04579	6.3
167.48895	0.9
179.05652	4.6
191.05588	2.9
199.06062	1.0
206.87076	1.0
221.06606	2.3
229.09644	0.9
235.08250	12.1
253.09235	2.4
255.23312	76.1
256.23633	6.2
287.07693	3.6
305.08710	3.7
323.09845	2.6
379.12439	1.3
392.34354	0.9
397.13541	100.0
398.13934	8.5
415.14594	28.2
416.14801	1.6
609.80566	1.2
653.37445	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	713.3211
Annotation	Leucospilotaside C
Peak:m/z	Relative Intensity
55.15778	1.0
56.90462	1.0
59.01382	11.7
61.21829	0.8
61.98835	9.9
71.01386	6.9
71.05005	1.1
72.99288	2.6
73.02942	2.6
75.00888	2.6
75.29195	0.9
79.95739	2.8
80.96507	1.0
83.01405	1.1
83.05048	1.1
85.02951	5.9
87.00899	1.6
88.98824	2.2
89.02461	5.1
93.03465	4.4
95.01388	1.3
96.96021	46.7
98.20670	3.0
99.04521	1.3
101.02441	4.6
109.02935	1.9
111.04540	1.3
113.02438	3.1
133.02916	1.2
134.03673	1.4
135.04550	8.7
137.02460	1.2
155.03528	1.3
161.02409	2.1
161.04585	1.2
163.07658	3.7
173.04555	9.2
178.99808	1.4
179.03537	6.2
191.05629	30.3
192.05914	2.3
194.75673	0.9
209.11852	1.4
229.61732	1.2
351.11337	1.3
353.08813	8.7
354.09000	1.0
509.35104	1.3
608.37152	1.1
609.37634	2.0
632.28888	1.5
632.79309	1.5
653.40790	2.6
695.31262	4.0
712.76563	1.6
713.32086	100.0
714.32361	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04675	0.2
57.03436	0.3
58.73284	0.2
59.01379	0.6
61.98833	1.1
69.47583	1.7
71.01390	0.4
72.99306	0.3
75.00879	1.1
78.95906	1.7
79.95746	3.5
85.02956	0.9
93.03449	0.3
96.96021	100.0
107.44619	0.2
113.02502	0.3
119.13971	0.2
124.02645	0.2
160.79987	0.2
173.04495	0.4
191.05618	1.8
201.11325	0.3
437.30417	0.3
439.32083	0.6
492.25269	0.3
615.35248	3.8
616.35858	0.9
653.31238	0.4
713.36395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02187	7.2
58.34432	6.4
59.01377	27.0
60.42047	7.0
61.98829	17.8
65.92105	8.1
68.75667	6.4
71.01385	17.0
75.13157	6.6
78.16936	8.0
78.91896	11.8
78.95908	13.5
85.02952	14.5
89.02444	20.1
93.03461	8.7
96.96014	11.4
101.02435	12.6
152.99667	8.3
173.08282	7.5
191.05615	41.3
207.05096	13.1
279.23410	48.7
353.24103	7.1
397.13504	100.0
415.14639	26.0
433.00919	7.5
511.88837	8.3
713.34448	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98836	100.0
62.37538	0.3
71.01392	1.1
71.56102	0.3
73.02952	0.3
75.00889	0.5
80.76392	0.3
85.02975	0.8
89.02467	0.3
96.96030	0.5
101.02464	0.7
113.02453	0.3
116.54888	0.3
134.91568	0.2
161.02586	0.3
173.04591	0.4
191.05760	0.4
207.10385	0.5
209.12064	0.3
210.12386	0.3
237.82886	0.2
262.38126	0.3
638.32275	0.3
652.40558	1.2
663.37659	1.5
674.33679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71234	0.5
59.01377	1.1
60.99010	0.9
60.99313	17.2
61.98824	0.5
66.45359	0.4
67.71808	0.4
69.51981	3.2
71.01397	0.7
78.26070	0.5
88.98816	100.0
89.02444	0.7
89.99133	0.7
96.66720	0.4
98.20634	0.8
101.02464	0.6
106.09777	0.4
108.30569	0.4
113.02433	0.5
135.04532	0.6
159.69804	0.5
161.02458	0.4
173.04585	0.8
183.10251	0.4
191.03891	0.5
191.05553	2.1
227.03644	0.9
243.02873	2.6
255.03014	1.8
257.04697	0.5
271.02493	4.9
272.03223	0.9
285.03992	1.1
286.04822	0.7
299.02039	5.4
300.02777	4.8
314.04379	8.0
315.05130	13.3
316.05426	0.9
319.02686	0.5
353.08792	0.5
422.45764	0.5
426.00763	0.5
474.75955	0.5
491.19427	0.5
547.02600	0.5
623.16168	29.8
624.16370	4.2
713.37775	0.5
740.94250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47671	0.6
58.88607	0.7
58.97311	0.7
59.01384	1.8
66.63708	0.8
70.31120	2.6
80.36323	0.6
81.37204	0.7
85.02980	1.3
85.71191	0.7
87.00884	0.8
89.02478	0.8
93.03472	2.8
96.96028	7.3
103.08060	0.7
117.03467	1.7
119.05042	91.4
120.05370	3.3
121.13780	0.7
134.03749	14.2
135.04550	1.5
137.06088	1.6
149.02486	2.9
149.06044	1.1
163.04028	100.0
164.04584	5.7
173.04562	2.8
176.04567	0.8
179.03548	0.9
179.07115	1.1
181.05066	2.2
181.78078	0.9
188.04744	0.8
191.05641	12.0
191.07346	0.8
192.06039	1.0
193.01335	0.9
193.05069	18.2
203.03352	1.2
208.03760	2.5
221.08226	2.8
223.06094	5.8
225.57375	0.8
256.82846	0.7
325.09311	8.9
343.10361	1.4
367.10358	8.9
368.10773	1.4
649.28717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.5
59.01394	9.9
61.98832	8.0
64.79318	1.9
66.41321	1.7
68.50388	1.8
69.75283	10.9
69.93301	1.8
71.01395	5.7
72.99323	2.6
75.00877	27.7
75.81879	1.9
78.95889	3.9
79.95763	3.3
85.02956	23.0
89.02420	2.6
95.84418	1.8
96.95387	4.5
96.96018	95.9
98.19954	2.5
98.49181	1.7
99.00897	2.6
106.69292	1.7
113.02463	13.5
144.47678	2.0
191.05588	4.5
199.09750	4.6
201.11302	6.7
234.10536	1.9
272.32425	2.1
291.19897	2.5
310.25159	1.8
435.42081	1.9
439.32401	2.0
499.34573	3.5
613.33624	2.7
629.36963	7.5
675.37506	100.0
676.38019	21.7
711.36633	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	710.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14047	0.1
59.01384	3.2
60.01719	0.3
61.01825	0.2
61.98835	100.0
62.98546	0.1
71.01389	1.5
71.56748	0.1
71.57120	0.2
72.01724	0.2
73.01815	0.1
73.02950	0.5
75.00871	0.1
85.02967	0.6
86.03336	0.1
87.00899	0.2
89.02469	0.3
90.40504	0.1
93.03473	0.1
96.96036	0.5
101.02437	0.7
113.02483	0.5
124.07664	0.1
135.04553	0.2
161.02441	0.1
161.04567	0.9
162.04915	0.3
163.05084	0.3
173.04593	0.6
179.05531	0.1
191.05627	0.9
218.91611	0.1
229.45201	0.1
286.64612	0.1
320.97620	0.1
385.29172	0.1
430.28946	0.1
533.33777	0.2
546.14655	0.2
591.23859	0.2
649.35516	0.2
650.35358	0.6
710.27209	0.2
710.37897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.2
59.01390	0.3
61.98835	100.0
62.98559	0.2
63.37327	0.1
71.01377	0.2
72.99339	0.3
75.00884	2.0
83.01398	0.2
85.02963	1.3
113.02475	1.0
113.19138	0.1
150.95274	0.1
175.02393	0.2
209.69423	0.1
471.35019	0.3
495.84256	0.2
524.40356	0.2
570.03821	0.2
647.38031	10.9
648.38312	2.4
651.21454	0.2
672.65216	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	710.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.13336	0.7
56.18863	0.6
57.03442	2.1
59.01382	3.7
61.98835	51.0
71.01400	5.7
72.99295	1.7
75.00874	17.0
78.95914	0.9
85.02959	13.6
87.00879	1.5
95.01376	1.4
96.96005	1.1
99.00863	2.2
101.02428	0.8
113.02458	10.1
129.01904	0.6
157.01369	1.1
191.05540	1.2
208.20293	0.8
209.11789	1.2
211.13327	1.0
225.11308	0.7
253.09328	0.6
255.44182	0.7
304.64865	0.7
400.83035	0.8
423.32785	0.9
471.34961	5.5
571.36670	1.0
585.47821	0.8
597.96692	0.7
647.38013	100.0
648.38422	18.4
669.36713	1.3
729.42828	0.8
740.43701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14047	0.1
59.01384	3.2
60.01719	0.3
61.01825	0.2
61.98835	100.0
62.98546	0.1
71.01389	1.5
71.56748	0.1
71.57120	0.2
72.01724	0.2
73.01815	0.1
73.02950	0.5
75.00871	0.1
85.02967	0.6
86.03336	0.1
87.00899	0.2
89.02469	0.3
90.40504	0.1
93.03473	0.1
96.96036	0.5
101.02437	0.7
113.02483	0.5
124.07664	0.1
135.04553	0.2
161.02441	0.1
161.04567	0.9
162.04915	0.3
163.05084	0.3
173.04593	0.6
179.05531	0.1
191.05627	0.9
218.91611	0.1
229.45201	0.1
286.64612	0.1
320.97620	0.1
385.29172	0.1
430.28946	0.1
533.33777	0.2
546.14655	0.2
591.23859	0.2
649.35516	0.2
650.35358	0.6
710.27209	0.2
710.37897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01377	1.3
61.98829	0.7
63.96227	1.8
69.03457	0.8
70.22813	2.3
71.01388	8.7
73.02955	2.5
78.95897	2.2
78.98608	6.3
79.95748	12.2
80.96528	77.0
81.03493	1.2
85.02953	3.1
87.00882	3.2
94.97488	1.0
94.98103	17.5
96.96033	1.1
97.02944	1.4
98.19951	0.9
101.02448	2.4
104.54069	0.6
106.98083	2.6
122.97582	3.6
125.02464	3.4
127.04042	0.8
134.97612	4.3
136.99135	1.6
143.03352	0.7
146.97559	0.7
148.99150	6.6
152.98651	6.7
164.97321	1.0
164.98639	11.6
167.00157	0.8
171.10287	1.8
206.99738	3.1
217.48309	0.6
225.00769	19.6
225.02988	1.0
229.39912	0.6
255.23288	1.7
277.66083	0.6
279.23254	3.7
366.99225	0.7
392.13779	0.7
399.96344	0.6
453.14182	3.5
520.96381	0.7
600.06952	0.8
709.38434	100.0
710.38708	18.7
734.03473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65916	1.0
53.00132	1.0
59.01389	7.7
61.57693	1.0
61.98801	2.8
63.60226	1.0
67.25614	1.0
71.01382	6.7
71.56037	1.3
71.56470	1.1
73.02934	1.4
78.95904	7.7
83.05060	1.3
85.02946	2.2
89.02435	3.2
97.06554	3.9
101.02433	3.7
113.02421	3.2
125.09739	1.1
126.90136	0.9
151.11293	14.4
151.43626	1.1
152.99614	6.4
158.73293	1.2
169.12360	100.0
170.12668	4.0
171.10306	2.0
173.68504	1.1
179.05563	1.3
195.10283	2.9
195.19011	1.0
213.11383	12.5
214.11678	1.5
235.08264	1.6
253.09206	3.1
277.21762	23.7
278.22095	1.8
279.23270	2.5
293.21216	1.4
405.50742	1.2
431.19394	3.1
449.20242	11.2
473.17780	1.2
554.87549	1.2
709.41663	99.8
710.42072	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	709.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60823	0.5
58.00592	1.7
59.01384	23.0
61.08853	0.4
71.01389	6.1
71.56475	0.6
72.99316	1.0
78.95921	0.6
85.02953	1.8
87.00869	1.2
89.02460	5.4
93.03473	2.3
96.96013	5.4
96.96947	0.6
99.37961	0.5
101.02459	3.6
119.03530	0.9
120.22994	0.4
133.02946	0.6
135.04466	1.0
145.07785	0.7
146.04884	0.7
160.06421	6.3
161.07214	35.6
162.07579	1.1
173.04601	2.5
175.08771	26.6
176.09174	1.4
179.03499	0.8
189.06709	63.0
190.07043	2.5
191.05620	13.0
192.05962	0.7
192.83832	0.5
201.10408	0.7
203.08267	27.0
204.08551	1.1
229.09795	0.9
237.78003	0.5
295.12946	0.7
305.11496	1.5
308.71838	0.6
321.15503	0.8
323.12488	100.0
324.12811	7.8
367.10449	1.1
494.73392	0.5
517.13666	0.5
528.19995	0.7
548.88116	0.5
552.33704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	16.5
60.62762	0.9
61.98833	8.6
70.09285	4.1
71.01393	9.3
73.02956	2.4
78.95907	4.0
79.45082	1.0
83.01405	2.2
83.05023	1.4
85.02979	5.1
88.98734	0.9
89.02459	2.9
93.03434	1.4
96.96024	2.6
100.41518	1.1
101.02457	8.1
113.02483	3.0
119.03527	1.6
161.04541	1.5
163.11342	1.3
189.71252	0.9
191.05672	2.4
207.10225	1.9
209.11839	43.8
210.12155	3.6
227.12883	11.7
228.13046	1.3
233.55357	0.9
235.08057	1.4
253.09177	2.6
253.96121	0.9
382.85800	1.1
445.20560	4.7
446.20261	1.1
487.34146	3.4
505.31561	1.5
631.38654	6.4
632.39014	1.3
637.32861	1.5
649.39575	100.0
650.39856	12.2
653.31281	1.1
655.32892	1.5
709.30896	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	707.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41032	0.2
59.01384	0.9
77.66497	0.2
79.95741	2.9
86.02202	0.2
86.82999	0.2
89.02426	0.2
93.03454	1.2
96.96020	100.0
97.95932	0.2
135.04503	0.4
137.02461	1.4
151.00410	0.4
161.02396	0.3
169.60986	0.2
173.04633	0.2
173.08060	0.2
191.05652	0.7
243.03044	0.3
255.02991	0.7
271.02521	1.3
300.02820	3.0
301.03485	0.9
482.62918	0.2
536.63165	0.2
609.14667	3.6
610.14722	0.4
636.82214	0.2
676.65112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45880	3.7
59.01389	39.9
61.98838	83.6
63.16205	4.2
71.01402	28.2
72.99310	4.5
73.01825	4.0
73.02948	9.6
78.95923	5.1
83.05019	5.1
85.02959	18.3
89.02456	18.2
93.03466	6.4
96.96018	13.5
97.18511	4.5
98.19846	6.7
99.00878	6.2
101.02440	16.6
105.25758	4.7
108.48634	4.8
109.06606	11.1
113.02450	14.5
163.11279	10.7
173.04491	13.0
179.05644	5.4
191.05638	23.2
207.10251	43.8
209.11839	100.0
210.12209	5.3
214.42268	4.5
225.11336	36.5
227.12994	25.6
235.08348	5.9
253.09317	16.2
254.09775	4.8
259.62784	4.8
417.22729	9.5
443.19128	6.7
457.92822	4.4
461.20468	14.6
509.34839	15.1
516.13989	4.5
560.04083	4.8
629.37451	10.3
635.31024	33.1
647.37317	6.9
653.31445	24.9
654.32227	5.9
671.32501	35.7
707.30206	22.1
707.39026	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
56.86797	0.5
57.03445	1.4
57.54418	0.5
59.01385	100.0
60.01708	0.7
61.98525	0.5
61.98835	9.8
65.41291	0.5
69.03464	0.6
69.41415	4.1
71.01387	18.4
72.99317	1.1
73.02946	7.1
81.03482	0.5
81.69463	0.5
83.01387	2.9
85.02950	11.1
87.00885	1.8
89.02454	2.9
93.03509	0.7
95.01398	1.2
96.96007	5.5
97.02979	0.6
97.06580	0.5
99.00884	3.3
99.04507	0.7
101.02453	15.6
102.02819	0.6
113.02460	9.1
116.92853	0.9
119.03542	0.6
121.95251	0.5
125.02455	0.9
129.01913	0.5
135.04587	0.9
137.02472	0.5
143.03554	1.5
159.03020	2.5
161.04567	22.1
173.04564	1.0
179.25841	0.5
191.05568	3.0
225.11320	0.7
273.39261	0.6
299.02075	0.5
300.02579	0.9
301.02676	0.7
395.24884	0.6
439.28769	0.6
441.30313	1.3
447.20868	0.5
539.06079	0.6
647.34424	18.3
648.34680	3.5
669.40735	3.2
671.41479	1.0
691.33246	7.2
692.34100	1.3
707.23914	1.0
707.36920	10.1
708.37384	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	707.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03448	2.2
57.68770	0.4
59.01384	100.0
60.01702	0.7
69.03452	0.6
71.01386	35.8
72.01742	0.7
72.99326	0.8
73.02952	11.0
75.00903	0.6
78.13946	0.4
83.01400	4.2
85.02959	17.4
85.03472	0.9
87.00892	1.3
88.64697	0.4
89.02450	6.7
95.01413	1.8
96.96023	1.1
97.02984	0.8
99.00877	5.2
101.02451	28.0
102.02833	0.9
113.02459	17.2
119.00845	0.4
119.03535	1.7
125.02473	1.3
129.01970	0.8
131.03531	0.4
143.03508	3.0
151.00403	0.7
159.03008	6.2
161.04564	47.3
162.04942	1.3
178.99832	0.4
179.05690	1.1
183.60901	0.4
191.05684	0.7
205.03600	1.1
214.89905	0.4
229.24806	0.5
293.18961	0.4
360.62656	0.4
485.28827	2.1
647.34406	20.4
648.34814	3.9
707.24371	0.6
707.36255	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	707.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90740	0.2
55.01876	0.7
57.03450	0.8
59.01384	100.0
60.01720	0.9
61.98823	0.3
69.57320	1.0
69.57727	0.6
70.93073	0.2
71.01388	10.9
72.99339	0.2
73.02953	3.1
75.00896	0.4
76.53758	0.3
83.01393	1.5
85.02956	4.5
87.00906	0.4
89.02473	1.6
95.01431	0.9
96.96036	0.6
97.02987	0.5
98.20688	0.4
99.00885	1.8
101.02455	7.6
113.02460	5.1
119.03527	0.3
125.02542	0.5
135.04587	0.3
137.20825	0.3
143.03560	0.9
145.30682	0.3
151.00406	0.7
152.00841	0.3
159.03023	1.4
161.04565	13.2
178.99951	1.0
179.05661	0.6
191.05695	0.5
292.26587	0.2
400.39005	0.3
485.29343	0.8
647.34393	8.3
648.35016	1.6
707.21564	1.7
707.36273	2.0
708.37543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
59.01390	10.5
69.73433	10.4
71.01379	7.4
73.02972	2.5
85.02946	4.0
87.00850	2.3
89.02468	4.4
93.03440	3.6
96.95988	8.2
96.96994	2.0
98.19917	2.3
101.02473	3.0
110.06166	2.4
122.06122	14.3
123.00864	2.2
124.07673	1.9
132.98062	2.1
150.05562	2.2
168.06741	2.1
173.04567	5.6
191.05627	14.5
203.12868	5.7
213.10316	4.5
215.11876	3.4
227.08220	4.7
227.11903	9.4
239.08310	3.5
239.11574	1.9
241.09836	2.8
244.50488	2.0
252.09160	2.0
253.09804	4.4
254.06851	4.2
255.07544	3.5
255.11371	5.5
257.09485	2.5
257.12964	2.4
267.11316	6.3
268.08493	4.5
269.09299	4.7
271.10458	2.5
283.07346	2.5
283.10886	6.5
284.11688	2.7
293.09201	4.9
297.08896	3.2
298.09442	3.8
311.10339	3.6
327.09787	7.5
329.11694	2.6
336.17230	3.8
338.18811	5.5
343.12973	3.3
345.10910	2.8
346.11978	3.0
348.13434	2.4
348.17389	2.3
350.18814	2.3
357.10818	4.5
362.15091	3.7
364.16907	2.7
366.14355	3.8
366.18661	2.4
378.14182	3.9
386.11099	7.3
387.11880	5.9
388.13013	9.1
392.16412	4.4
404.11996	2.8
406.13501	3.1
406.18182	2.8
408.15475	3.4
410.17239	3.2
412.18808	7.5
422.13446	2.7
434.17218	2.3
436.14746	3.3
438.16568	7.8
454.16312	3.4
455.16574	2.7
468.17542	4.5
478.16028	2.3
482.15753	6.3
494.16299	2.2
496.17465	10.7
510.18796	3.9
512.16888	14.6
522.58063	2.4
526.18134	7.8
527.19086	56.5
528.19708	20.8
649.23938	14.1
650.24927	3.2
667.31873	3.4
673.24323	5.1
691.26208	100.0
692.26410	18.9
709.27301	81.8
710.27594	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	705.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25052	1.0
51.16026	1.0
57.03453	1.3
59.01379	18.4
61.98830	13.1
71.01396	9.2
71.56729	1.3
72.99287	1.2
73.02952	4.3
75.00888	6.7
78.95885	1.2
79.62875	1.3
83.01411	1.5
83.05005	2.7
85.02969	3.8
87.00875	1.7
89.02462	4.8
93.03466	2.6
96.96011	5.3
97.02976	1.2
99.00903	1.4
100.76523	1.1
101.02435	4.3
110.20625	0.9
113.02457	2.5
135.04561	5.0
137.02371	1.0
161.04608	2.2
169.12349	13.0
171.10208	2.7
173.04550	4.1
174.99501	1.0
179.03506	3.4
182.82306	1.1
191.05640	11.1
197.11772	2.3
202.84314	1.1
209.11836	51.4
209.13808	2.6
210.12259	3.0
227.12907	8.0
233.78099	1.2
238.18013	1.0
253.09193	3.6
324.59500	1.3
353.08765	2.4
381.31479	1.2
405.21463	1.7
405.27966	1.5
409.27289	5.4
421.31195	5.6
425.30566	5.1
439.32123	3.6
455.31741	1.6
465.29764	1.4
483.31180	8.0
484.31323	1.5
501.32245	41.6
502.32736	6.4
570.23175	2.9
667.38629	1.3
669.40570	3.6
705.38678	100.0
706.38977	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	706.33
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10239	0.1
59.01381	0.6
61.98835	100.0
62.98540	0.2
64.61098	0.2
69.04801	0.1
69.81812	0.5
69.82219	0.2
71.01390	0.3
73.10069	0.1
78.95940	0.2
81.33855	0.1
85.02972	0.2
87.00907	0.2
88.98811	0.1
93.03460	0.1
96.96028	0.3
116.35999	0.1
119.03535	0.1
121.44842	0.2
125.02450	0.1
135.20297	0.1
173.04538	0.2
191.05656	0.4
197.11884	0.1
197.33958	0.1
207.10229	0.3
208.11023	0.1
225.11391	0.2
252.04628	0.2
275.09381	0.2
449.14285	0.2
461.20020	0.1
670.31787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22115	1.3
57.03447	1.4
59.01381	20.8
61.98833	36.4
69.03471	2.4
71.01389	19.5
71.55662	1.4
73.02930	7.8
75.69836	1.5
80.32776	1.2
81.03452	2.8
83.01380	2.8
83.05040	4.1
85.02950	10.0
87.00879	4.7
89.02455	13.3
93.03467	4.1
95.01402	1.8
96.96019	19.1
97.02956	2.5
97.06568	2.0
99.00874	7.7
101.02441	17.2
107.01414	1.6
109.02954	2.5
109.06618	3.2
111.00911	2.2
113.02445	8.7
119.03513	4.3
123.08129	1.2
125.02474	2.0
125.09724	5.6
127.04019	1.5
127.11309	3.3
131.03479	2.3
135.04523	3.3
149.09679	1.4
151.00360	4.2
151.04117	1.4
151.11305	2.3
155.10791	1.6
159.02948	1.4
159.08340	1.3
161.02458	3.1
161.04616	2.8
161.09747	2.3
163.11296	6.0
171.10291	4.9
173.04619	7.5
179.03485	2.4
179.10822	2.5
179.44902	1.4
181.12369	5.0
185.11899	1.8
186.03333	1.8
191.05617	18.7
197.11838	24.8
198.12033	1.5
199.03999	3.6
199.13336	3.1
201.11296	14.9
207.10300	10.8
209.11861	18.8
211.03941	1.3
214.02637	3.3
215.12793	1.6
225.11327	13.9
227.03429	3.0
227.12883	2.1
241.01395	4.0
241.04396	1.3
241.10973	2.3
242.02248	6.6
243.02916	5.1
243.12386	5.5
245.00870	2.2
253.09279	3.1
255.02950	4.6
270.01715	6.8
271.02496	13.0
298.01184	2.6
299.01984	45.4
300.02615	12.0
301.03427	5.0
397.09186	4.2
463.08893	6.8
479.21097	2.7
507.34979	2.9
607.13226	2.4
608.13739	26.0
609.13867	7.8
661.30267	6.7
667.39282	12.4
668.39709	3.6
669.40704	100.0
670.41272	14.6
687.32330	25.5
688.32837	4.0
705.20422	5.2
705.35760	50.8
706.35345	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	705.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28946	1.4
57.03461	1.4
59.01382	16.0
61.98541	1.6
61.98840	24.0
71.01391	16.6
71.55904	2.3
73.02929	4.1
78.95907	1.9
81.55202	1.2
83.01376	3.4
85.02959	8.3
87.00890	18.7
89.02474	8.0
91.16954	1.1
93.03459	6.6
96.96022	33.1
96.96973	2.0
99.00864	1.9
101.02460	13.2
105.52243	1.3
106.41730	1.2
107.01392	2.2
108.02188	1.4
109.02951	2.1
111.00955	1.2
111.04593	1.4
113.02441	4.6
119.03472	2.8
119.04873	1.3
125.02431	2.5
131.03557	1.2
131.29765	1.3
133.02975	1.5
135.04533	2.9
137.02412	2.0
145.02902	1.3
151.00381	9.0
155.04922	1.7
161.02446	2.4
161.04639	3.1
163.08105	1.3
171.10301	1.5
173.04544	4.9
178.99863	4.3
183.04523	2.3
186.03122	2.6
187.03938	1.6
191.05634	19.2
192.05919	1.9
193.01474	1.3
198.03134	2.6
199.03975	5.7
200.80583	1.3
201.11354	2.2
207.10216	1.4
209.11827	3.0
213.12379	1.3
214.02765	7.1
215.03441	3.5
217.01530	1.3
227.03482	6.0
241.01437	9.5
242.02159	13.4
243.02975	15.8
245.00844	7.0
255.03075	10.9
257.17715	1.5
270.01715	15.0
271.02530	27.7
272.02914	1.8
298.01114	4.8
299.01999	100.0
300.02588	28.4
301.03494	10.9
339.04922	1.9
345.30301	1.5
396.08322	2.7
397.09256	12.9
398.09503	1.8
463.09021	9.4
507.35129	2.5
513.10370	1.4
607.12683	6.4
608.13861	62.1
609.14484	12.6
645.37115	1.5
646.32098	1.3
667.38910	12.0
669.40656	85.1
670.40979	13.6
705.20160	14.2
705.38416	40.0
705.82617	2.7
706.20258	3.9
706.38293	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	705.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28946	1.4
57.03461	1.4
59.01382	16.0
61.98541	1.6
61.98840	24.0
71.01391	16.6
71.55904	2.3
73.02929	4.1
78.95907	1.9
81.55202	1.2
83.01376	3.4
85.02959	8.3
87.00890	18.7
89.02474	8.0
91.16954	1.1
93.03459	6.6
96.96022	33.1
96.96973	2.0
99.00864	1.9
101.02460	13.2
105.52243	1.3
106.41730	1.2
107.01392	2.2
108.02188	1.4
109.02951	2.1
111.00955	1.2
111.04593	1.4
113.02441	4.6
119.03472	2.8
119.04873	1.3
125.02431	2.5
131.03557	1.2
131.29765	1.3
133.02975	1.5
135.04533	2.9
137.02412	2.0
145.02902	1.3
151.00381	9.0
155.04922	1.7
161.02446	2.4
161.04639	3.1
163.08105	1.3
171.10301	1.5
173.04544	4.9
178.99863	4.3
183.04523	2.3
186.03122	2.6
187.03938	1.6
191.05634	19.2
192.05919	1.9
193.01474	1.3
198.03134	2.6
199.03975	5.7
200.80583	1.3
201.11354	2.2
207.10216	1.4
209.11827	3.0
213.12379	1.3
214.02765	7.1
215.03441	3.5
217.01530	1.3
227.03482	6.0
241.01437	9.5
242.02159	13.4
243.02975	15.8
245.00844	7.0
255.03075	10.9
257.17715	1.5
270.01715	15.0
271.02530	27.7
272.02914	1.8
298.01114	4.8
299.01999	100.0
300.02588	28.4
301.03494	10.9
339.04922	1.9
345.30301	1.5
396.08322	2.7
397.09256	12.9
398.09503	1.8
463.09021	9.4
507.35129	2.5
513.10370	1.4
607.12683	6.4
608.13861	62.1
609.14484	12.6
645.37115	1.5
646.32098	1.3
667.38910	12.0
669.40656	85.1
670.40979	13.6
705.20160	14.2
705.38416	40.0
705.82617	2.7
706.20258	3.9
706.38293	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	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01385	14.8
61.98837	16.0
69.54353	1.0
70.10877	3.9
71.01387	9.4
72.99310	1.3
73.02950	2.6
75.00858	1.8
80.02663	1.0
81.03442	1.4
83.01363	1.2
83.05023	4.6
84.95756	0.9
85.02950	4.0
87.00893	2.0
88.98816	2.5
89.02454	6.3
93.03445	3.0
96.96024	10.5
101.02467	6.5
108.18954	1.1
108.22590	1.0
109.06569	1.5
113.02441	2.5
119.03467	1.9
133.02946	1.2
135.04532	1.9
155.03477	1.1
161.02382	2.0
161.04530	2.4
163.11278	4.7
165.12822	1.6
169.12321	1.1
171.10280	2.4
173.04559	2.4
173.11888	1.3
179.03508	1.6
179.05457	1.1
191.05650	8.3
199.13261	1.8
201.11346	2.8
209.11839	100.0
210.12199	6.3
220.67215	0.9
223.09766	1.0
224.14067	1.1
225.11266	2.0
226.11700	1.0
227.12921	13.0
235.08308	1.6
247.13429	1.3
253.09296	7.2
259.15607	1.4
299.02170	1.6
505.33807	1.2
513.10040	1.3
570.23419	1.9
627.37439	1.9
669.39929	1.5
670.41669	1.6
687.32489	1.3
705.35791	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	705.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87341	1.0
57.03437	2.4
59.01112	1.3
59.01384	14.4
61.98817	5.0
63.02398	9.7
65.00332	13.8
67.01875	1.2
69.03481	1.2
70.51600	1.1
70.51939	3.0
71.01379	7.1
72.99312	1.6
73.02928	4.2
83.00926	1.1
83.01395	13.3
85.02951	4.2
85.99614	1.0
87.00863	5.1
87.04544	1.1
89.02454	5.3
93.03446	4.2
95.01379	2.7
96.48721	1.0
96.96024	6.6
97.11523	1.2
101.02431	4.9
107.01400	27.8
108.02221	1.2
109.02950	1.8
113.02438	3.2
119.03489	2.0
121.02909	2.8
124.01678	9.9
125.02454	9.1
131.03522	2.8
134.03717	1.6
135.04500	2.9
136.01620	1.3
137.02385	1.9
139.04016	2.1
143.03485	1.3
149.02444	1.3
150.03201	5.8
151.00377	100.0
151.07622	1.9
152.01175	21.7
153.01874	3.6
159.04472	1.3
161.02414	2.8
163.00375	1.2
164.63028	1.1
165.01872	2.7
165.05598	5.2
169.01456	10.8
173.04472	4.4
173.05949	2.0
174.03192	1.1
177.02002	1.9
178.99873	42.6
179.03358	2.1
180.00162	1.7
187.03886	1.3
187.07619	3.0
188.04701	2.9
189.09137	3.9
190.02759	1.2
191.05592	12.7
195.06610	4.3
199.03775	1.1
199.07715	1.4
201.05611	2.4
202.06178	1.1
205.07080	1.7
209.06082	1.2
211.04073	1.5
215.07114	6.5
216.07892	2.7
217.08641	5.5
223.07672	1.4
223.09773	1.2
224.04616	1.5
225.05551	3.6
227.07193	6.0
229.08755	1.2
237.05569	1.5
239.07115	2.7
241.04955	4.2
241.08789	2.0
245.07991	1.4
246.06758	1.7
253.05069	9.2
256.07333	3.7
261.09250	2.2
265.08688	1.2
266.05685	1.3
269.08206	2.1
271.09689	6.2
274.06253	1.9
277.05063	1.7
289.08615	4.3
290.05716	3.5
291.06439	3.1
292.07227	1.2
293.04840	2.1
293.07797	1.7
295.05914	1.2
300.02768	2.0
305.08206	7.9
308.03204	2.8
311.02054	6.3
321.04025	2.3
322.04880	1.4
325.07175	1.2
333.07712	31.5
334.08032	4.2
336.06293	3.0
339.04916	3.5
351.08487	3.6
353.06543	11.1
361.07184	74.4
362.07761	7.4
378.07401	14.0
379.08224	61.8
380.08466	6.4
396.08203	1.9
397.09277	7.8
479.18558	1.2
513.10083	3.8
553.19055	4.5
575.73932	1.1
579.16809	2.1
640.08484	1.1
643.34912	1.2
661.36029	2.3
687.19843	1.7
705.20099	48.0
705.38074	6.1
706.20587	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	705.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
67.01892	1.2
69.83010	4.0
71.01411	0.8
78.95896	2.0
85.02967	7.6
87.00893	2.5
93.03454	8.7
93.56938	0.8
96.96010	1.2
96.96967	1.9
105.03490	1.8
109.02937	3.4
111.04523	2.7
121.02963	4.4
127.04041	1.7
133.02969	12.3
134.03381	0.8
135.04512	5.4
137.02469	1.3
155.03484	1.5
159.04497	1.8
161.02438	8.4
167.37016	0.7
173.04562	7.6
177.01917	6.0
179.03484	3.3
184.36380	0.7
191.05623	45.8
192.05991	1.2
195.08180	2.9
196.05177	0.8
209.06161	1.0
211.07686	1.5
221.06097	3.0
222.06854	1.9
223.07629	5.2
224.04839	1.4
229.01477	3.7
232.45505	0.9
237.05414	1.4
239.07120	5.1
249.05525	3.1
250.06436	1.3
251.07112	6.0
265.05112	2.9
266.05704	1.8
267.06613	11.4
268.07016	0.9
269.08060	1.4
277.05103	2.8
280.03668	0.7
283.06229	1.1
293.04797	2.3
294.05304	0.8
295.06122	14.2
296.06390	1.5
299.75604	0.8
311.05637	5.0
313.07135	1.4
321.04050	4.8
339.05099	98.9
340.05341	8.8
347.31424	0.9
351.07117	4.6
353.08820	3.2
487.12488	1.7
513.10376	100.0
514.10699	12.3
613.60522	0.9
705.16742	3.4
706.17072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61424	1.0
57.03447	3.7
59.01379	2.5
63.02404	11.7
65.00326	10.9
69.86664	3.4
69.87083	2.0
71.01372	1.1
82.25327	0.9
83.01407	9.5
93.03454	0.9
93.46406	0.8
94.52262	0.9
95.01363	1.5
96.96010	2.8
102.63623	0.9
103.81591	0.9
107.01396	20.9
109.02968	1.5
110.33143	0.9
123.00862	1.4
124.01672	7.1
124.75001	1.0
125.02461	13.7
150.80676	1.0
151.00383	82.0
152.01190	18.6
153.01965	5.6
169.01440	4.7
173.06042	3.8
173.11848	1.4
175.03909	1.0
177.02037	1.3
178.99879	82.5
180.00175	1.7
181.01500	2.1
181.02991	1.1
187.03929	1.8
187.07652	2.2
189.05550	3.2
190.02718	1.9
191.03473	1.5
191.05614	1.5
199.03995	1.2
199.07642	2.8
200.04851	4.2
203.03508	1.4
212.04771	1.1
215.07152	30.3
216.07654	2.1
217.08701	3.7
225.05620	2.8
227.07195	3.6
232.03690	2.6
241.05016	2.6
242.05730	1.7
243.02962	1.3
243.06644	2.3
253.05080	4.4
254.05708	2.1
255.03032	1.9
265.08786	1.5
267.06558	1.4
271.02493	4.2
271.06110	6.2
272.45718	1.1
293.08203	1.2
299.02063	3.7
300.02637	8.7
305.07968	1.8
306.05396	1.2
311.09186	1.4
321.04019	1.6
322.04785	2.1
325.07162	1.1
333.07727	5.1
336.06363	2.9
337.07089	1.3
351.08740	1.6
353.06415	1.5
361.07303	2.3
364.62518	1.0
378.07587	1.4
379.08252	13.2
394.72980	1.1
397.09332	41.7
398.09576	4.7
579.17181	3.8
586.40210	1.2
608.13574	1.1
705.20337	100.0
706.20728	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	705.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68325	0.5
52.80413	0.6
59.01395	1.7
61.98838	1.0
62.41227	0.5
67.01904	1.3
70.68979	1.5
71.01392	1.4
81.03461	0.8
83.05039	1.3
85.02959	9.7
87.00880	3.3
93.03472	11.0
96.90008	0.6
96.96028	1.1
98.19993	0.8
99.04566	0.5
103.66982	0.7
105.03513	1.4
109.02968	1.7
111.04519	3.9
117.78049	0.6
119.05048	0.6
121.02983	8.8
125.02415	0.8
127.04025	1.9
132.02222	0.7
133.02971	8.5
134.03743	1.7
135.04552	8.4
137.02446	1.7
145.02989	0.9
155.03526	2.1
159.04552	0.9
161.02469	22.8
162.02800	0.8
163.04031	0.6
171.03012	0.6
172.56317	0.6
173.02385	0.9
173.03036	0.7
173.04550	8.6
176.01161	0.6
177.01892	3.1
178.02727	1.8
179.03548	5.0
191.05630	57.2
192.05991	2.5
193.06508	1.0
195.08203	2.2
208.40022	0.6
211.07573	1.0
211.34514	0.6
221.06030	2.9
222.06876	1.3
223.07640	3.8
224.04846	0.6
234.06917	0.8
237.05649	1.5
239.07146	6.2
249.05699	2.8
250.06268	1.1
251.07129	3.9
265.04999	2.0
266.05838	1.2
267.06601	7.1
268.06870	0.9
269.08130	0.8
277.05075	2.0
283.06134	1.8
293.04617	2.0
295.06104	9.6
311.05594	6.3
312.05777	0.6
321.04129	5.4
322.04492	1.1
339.05115	98.9
340.05444	8.1
351.07288	1.2
353.08932	0.9
487.12537	1.3
495.09888	0.7
513.10394	100.0
514.10724	14.4
705.19415	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	705.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26595	0.4
56.27063	0.4
56.29443	0.4
59.01367	0.8
67.01900	0.6
68.60389	0.4
69.31929	0.7
69.32341	2.5
72.90736	0.4
73.02942	0.4
81.03447	0.4
81.64055	0.4
83.05030	0.5
85.02962	3.6
85.09674	0.4
87.00887	0.6
93.03476	5.1
96.96037	0.8
109.02940	1.0
110.16447	0.4
111.04546	2.0
121.02962	2.3
121.07699	0.3
122.03313	0.4
127.04032	1.1
133.02965	1.7
135.04552	1.7
137.02530	0.5
147.04504	0.6
155.03510	1.1
159.04544	1.2
160.01680	0.7
161.02470	3.2
173.04579	1.8
174.03163	0.5
179.03476	1.5
183.08319	0.6
187.23662	0.4
191.05635	22.5
192.06001	1.0
193.06573	0.5
195.08211	2.5
196.05228	0.7
197.06180	0.6
206.07397	0.6
211.07652	2.8
217.01141	0.4
220.05280	0.5
221.06111	3.2
222.06944	2.0
223.07625	6.2
224.04803	1.3
224.08057	0.5
225.05507	0.6
237.05595	1.7
238.06235	0.7
239.07114	4.9
249.05579	2.3
250.06448	2.3
251.07185	6.5
252.04329	0.9
252.07494	0.6
253.05133	0.7
265.04996	0.9
266.05936	1.5
267.06641	11.2
268.07071	0.7
269.08286	0.6
277.05099	2.4
283.06125	0.4
293.04617	0.5
295.06137	13.7
296.06473	1.0
298.18307	0.5
311.05597	4.2
312.06317	0.4
314.95712	0.4
321.04025	0.8
339.05112	100.0
340.05414	9.8
487.12558	0.8
495.09244	1.2
513.10413	81.9
514.10742	10.5
726.49329	0.4
736.65948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39294	27.5
61.98833	98.7
64.16397	30.4
66.82769	25.3
71.54392	35.6
73.42461	29.0
109.06564	34.7
137.14351	29.7
165.57486	32.3
277.21725	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	705.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01382	2.1
67.01903	2.2
68.17715	0.5
69.03448	0.5
69.28183	5.0
71.01392	2.2
74.00986	0.5
76.01148	0.6
78.95984	0.6
79.96236	0.5
81.03465	1.2
83.05045	1.3
85.02955	8.1
87.00894	3.6
89.02531	0.6
93.03471	18.9
96.96013	1.1
99.04520	0.9
100.03918	0.6
105.03519	2.7
109.02948	3.6
111.00862	0.7
111.04548	3.7
115.87392	0.5
119.05089	1.3
121.02964	3.9
123.04527	0.7
127.04039	2.5
133.02972	18.2
134.03377	0.8
135.04533	8.2
137.02480	1.6
145.02957	1.3
147.04570	0.9
150.03203	0.9
151.04037	0.6
155.03514	2.8
159.04558	1.4
160.01648	0.8
161.02455	12.0
163.04022	1.6
171.03040	0.5
173.04567	35.2
174.03226	0.8
174.04933	1.1
177.01942	7.9
178.02545	0.5
179.03494	4.1
185.02452	1.0
191.05638	49.0
192.05946	3.0
193.06558	1.0
195.04753	0.6
195.06674	1.4
195.08177	3.6
206.07387	0.7
209.06168	1.1
211.04117	0.6
211.07664	2.6
215.05669	1.9
221.06107	2.6
222.06892	2.1
223.07643	4.9
224.04814	1.9
225.05600	0.8
229.01369	1.4
237.05573	1.7
238.06303	1.2
239.07144	5.3
249.05544	3.7
250.06384	1.9
251.07185	6.1
264.03906	0.5
265.05173	1.9
266.05908	1.5
267.06647	10.9
268.07062	0.6
269.08170	1.4
277.05112	2.9
283.06073	0.8
293.04700	1.6
293.12399	1.3
295.06131	15.4
296.06387	1.1
307.08282	1.0
311.05682	4.9
321.04031	4.2
337.03912	0.6
338.03879	0.9
339.05115	100.0
340.05469	10.2
351.07236	11.6
352.07877	0.9
353.08807	3.1
374.90216	0.6
487.12418	1.2
495.09335	1.7
513.10413	96.0
514.10797	13.1
705.18304	2.1
706.18298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40376	13.2
61.98825	33.3
62.87540	13.9
67.80621	14.6
69.45346	12.2
71.55931	15.3
78.95900	80.9
85.28526	13.1
91.09704	13.3
91.10463	13.1
95.68214	14.3
105.14534	14.0
109.06599	33.1
124.80579	13.8
131.03400	13.5
144.09471	15.4
152.99562	64.3
153.00706	13.4
171.10146	17.9
189.09186	20.5
207.10248	45.6
255.23364	78.1
277.21741	100.0
277.95578	15.3
351.67661	14.7
391.22720	17.5
398.57111	13.2
502.66782	14.7
557.88867	16.6
703.43848	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53500	1.2
57.03471	1.2
58.00573	1.2
59.01384	32.7
61.98837	100.0
62.48299	1.2
63.99261	1.4
71.01388	19.9
71.16193	2.0
71.16517	1.7
72.99331	1.9
73.02956	5.3
78.95917	1.6
83.01382	1.6
83.05059	1.2
85.02969	8.1
87.00871	6.8
89.02466	11.6
93.03456	3.3
93.53164	1.1
95.01410	2.4
96.96028	8.3
97.98035	1.2
99.00900	2.2
101.02456	11.6
111.04559	2.0
113.02470	8.0
118.15046	1.2
119.03519	3.9
125.02518	2.0
125.09805	1.2
131.03514	3.0
133.03014	1.3
135.04535	1.4
139.07607	1.5
149.04594	1.4
151.00430	1.6
155.10814	2.7
159.03143	1.4
161.02441	1.2
161.04436	1.3
171.10304	16.3
173.04517	2.5
178.02773	1.3
179.05669	3.4
184.61536	1.2
191.05646	8.4
197.11873	1.6
201.11275	1.8
209.11787	2.2
225.11270	1.9
241.76205	1.4
313.68814	1.3
497.31540	1.5
505.33902	1.6
641.35431	1.7
659.36371	2.5
667.29779	3.8
667.39160	76.1
668.39545	13.4
673.38086	1.5
685.30011	1.5
703.22888	1.3
703.36169	34.3
704.24371	1.6
704.36371	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	703.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69952	1.3
56.43427	1.2
57.03429	2.5
58.71729	1.2
59.01385	34.7
61.98834	45.8
71.01025	1.6
71.01389	26.0
71.05035	1.2
71.57359	2.2
72.99287	2.8
73.02930	5.7
79.33597	1.1
83.01372	3.6
83.05006	3.0
85.02956	9.3
87.00854	5.4
89.02450	15.1
93.03431	3.0
96.96032	11.4
97.06609	1.7
99.00834	2.4
101.01925	1.7
101.02455	18.6
109.06554	1.6
111.00876	2.0
111.04511	2.9
113.02457	8.0
116.92893	1.6
119.03528	6.7
119.47591	1.1
124.01665	1.3
125.02400	2.7
131.03526	1.9
135.04497	2.7
135.08078	1.3
149.06012	1.6
151.03961	1.7
151.07579	1.7
153.05376	1.4
159.80113	1.3
161.04553	2.4
171.10197	4.8
173.04585	3.1
176.04695	3.7
179.05502	1.5
185.11823	1.4
191.05566	5.5
191.07138	4.8
194.17581	1.3
197.11800	2.1
209.11711	2.8
214.02574	1.3
345.13303	2.9
497.30640	1.8
505.33243	4.4
541.29547	2.4
557.37970	2.0
560.76227	1.4
615.37354	2.1
659.35529	3.6
665.38678	3.0
667.39172	100.0
668.39612	16.0
703.35706	51.7
704.36224	9.7
717.63800	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	703.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14934	1.0
55.01883	1.1
59.01381	13.6
61.98833	9.4
69.33237	9.7
71.01391	9.3
72.87859	1.1
72.99313	1.2
73.02934	2.1
75.00875	1.2
80.02682	2.4
81.03474	3.4
83.01382	1.4
83.05027	8.1
84.02150	2.0
85.02948	4.6
87.00900	2.5
89.02462	6.2
89.78010	1.1
93.03452	1.4
95.01435	1.9
95.02119	1.0
95.05020	1.9
96.95969	1.1
96.97519	1.2
97.02960	5.1
97.06612	1.8
99.00880	1.2
101.02465	11.5
103.94044	1.1
107.05044	1.2
109.06602	26.2
110.03767	1.1
113.02451	5.5
128.42508	1.4
131.03551	1.4
135.08151	3.7
139.04146	1.0
142.02733	1.6
161.04599	5.5
161.09708	1.7
163.11292	17.9
165.12848	1.9
171.10240	1.4
179.05513	1.2
179.10698	1.2
181.12320	3.3
185.11848	1.3
189.09280	1.6
191.05634	2.4
191.10756	1.2
207.10280	61.4
208.10561	3.9
209.11841	100.0
210.12126	4.2
225.11333	27.8
226.11649	1.2
227.12866	14.0
235.08203	3.4
247.13481	1.3
253.09264	10.3
278.10648	1.1
299.15128	1.4
373.24164	1.9
399.21921	6.5
417.22629	4.4
443.19260	3.1
451.91864	1.1
461.20346	10.4
491.26553	1.2
510.94263	1.2
523.29498	1.2
631.38812	4.1
635.30695	14.9
636.31104	2.5
653.31781	14.3
654.32007	2.5
671.32947	22.9
672.32990	2.8
703.36194	3.8
704.33813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	36.3
61.98834	26.6
69.08665	14.4
70.54347	39.6
78.95902	32.7
91.24048	14.3
96.96004	53.2
101.02439	15.0
108.10630	13.4
109.06593	18.7
113.02441	18.4
130.11165	16.8
154.21474	14.2
191.05629	34.6
207.10222	56.8
223.13414	100.0
225.11446	24.3
227.26395	15.6
413.23141	29.4
508.86908	13.8
601.26544	14.6
649.32269	94.1
667.33582	53.0
703.31970	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02053	1.7
59.01388	8.6
61.98836	16.7
63.64120	1.9
71.01389	6.8
78.95912	3.0
82.95417	2.1
83.05037	5.0
85.02972	2.2
89.02455	2.7
96.96014	6.6
101.02451	3.3
101.74953	1.9
113.02503	3.0
118.78414	1.8
163.11313	4.0
169.12398	5.5
173.04543	2.8
191.05624	3.9
197.11841	100.0
198.12163	4.3
207.10397	3.7
209.11853	95.3
210.12149	4.7
225.11366	3.0
227.12869	15.9
231.39172	2.1
235.08363	4.1
245.21867	1.9
253.09300	8.4
433.20853	7.3
445.20847	3.5
494.43124	1.9
505.32104	2.1
665.37280	3.1
703.36047	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	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05127	1.3
59.01387	100.0
61.98833	3.9
78.95907	10.1
92.58778	1.4
98.19839	4.7
152.99576	6.2
182.91693	1.5
230.05272	1.5
245.85703	1.6
255.23238	8.4
347.91187	1.4
391.22833	1.8
429.12234	1.5
438.13367	4.0
448.47031	1.6
481.15244	35.4
482.15570	5.3
495.16824	11.0
496.17358	2.5
497.18433	5.8
514.14941	2.1
539.15753	1.8
540.16693	7.6
554.17773	3.1
555.18939	62.0
556.19202	12.3
572.15533	15.0
573.16125	4.4
586.17126	6.9
641.22546	26.3
642.22791	5.5
701.12494	3.3
701.24744	66.1
701.44641	4.8
702.25018	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	701.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62597	34.1
59.01360	34.9
61.98831	63.1
70.07793	31.5
71.55602	43.3
77.53827	33.1
78.95913	94.1
89.30760	28.5
96.96002	40.2
99.69654	25.5
120.12678	33.1
121.54810	29.1
152.99585	94.1
185.28552	31.2
223.13481	37.4
255.23311	100.0
300.53549	30.7
379.47223	31.1
701.43878	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44712	0.4
55.49966	0.3
59.01373	3.0
64.92222	0.4
69.03484	0.4
69.38344	1.4
69.38763	1.6
71.01385	2.4
73.02969	0.7
78.95901	2.3
80.02705	0.6
80.57475	0.4
83.01401	0.6
83.05032	2.8
85.02963	0.4
87.00891	0.7
89.02463	1.6
92.79465	0.4
101.02464	2.9
113.02483	1.7
132.04398	0.4
145.05087	0.7
152.99625	1.6
161.04630	1.4
163.11292	5.8
165.12910	1.4
191.10806	0.5
209.11847	59.5
210.12183	3.1
227.12914	7.5
228.13243	0.5
235.08255	6.4
253.09337	7.0
255.23314	100.0
256.23657	6.8
339.23334	2.5
340.23459	0.6
361.21494	1.3
380.88550	0.4
391.22559	0.7
491.32458	0.9
701.44611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11333	0.2
59.01385	2.1
61.98835	100.0
71.01405	1.4
71.05043	0.3
73.02958	0.8
85.02985	0.6
87.00880	0.3
89.02449	1.1
93.03428	0.3
96.96024	0.8
98.20705	0.5
101.02454	0.9
108.08170	0.2
113.02489	0.4
113.12499	0.3
125.02474	0.3
135.04568	0.3
140.67099	0.2
149.35797	0.2
151.04034	0.3
173.04491	0.4
191.05655	0.7
201.11440	0.6
229.43777	0.3
230.45790	0.3
331.08401	0.8
335.73038	0.2
539.28821	0.3
605.26978	0.2
607.81415	0.3
641.35303	0.3
665.37665	0.3
700.37183	1.5
701.34375	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	701.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03453	2.4
58.00600	1.1
59.01384	24.8
61.98838	16.4
65.00329	1.8
71.01382	19.5
71.57034	1.7
71.57391	1.1
72.99305	2.0
73.02963	4.2
78.95914	1.8
81.03484	2.2
83.01416	3.3
85.02978	7.4
85.23006	1.0
87.00896	3.0
89.02455	12.2
92.64841	1.1
93.03467	3.1
95.01397	4.0
96.96034	6.7
97.06581	1.2
101.02461	11.1
109.02984	3.7
109.06604	1.5
111.00891	1.4
111.04517	1.2
113.02457	7.1
116.92855	1.3
119.03516	4.9
120.99335	1.3
121.02977	12.7
123.00877	9.7
123.04514	2.7
125.02459	3.3
127.00404	2.4
131.03471	2.0
133.02988	1.6
135.04533	4.1
136.98772	1.8
137.02446	13.2
138.03220	2.2
139.00392	2.5
139.04021	3.0
139.07559	1.3
145.02963	1.3
147.04562	1.7
149.02486	2.5
150.03247	4.0
150.06885	2.2
151.03992	2.3
153.01968	3.2
153.05589	10.5
154.02689	1.5
155.03500	1.2
158.03757	1.4
159.04547	6.6
160.05313	21.1
161.04645	2.1
161.06058	7.1
162.06833	1.1
163.04031	3.7
164.04805	3.6
165.05588	2.5
166.99884	3.2
168.00626	1.3
173.04694	1.9
173.06061	2.5
174.01945	1.1
175.07657	17.4
176.04782	1.1
176.08026	1.5
177.05589	4.5
178.06331	3.3
179.03574	1.9
179.05643	2.5
179.07109	1.5
180.07939	1.9
181.01445	7.8
181.05067	1.5
182.02238	11.0
183.03038	8.6
191.05675	6.1
193.08719	2.4
196.03767	1.6
197.04590	29.2
198.04915	2.6
217.10835	2.3
269.07980	2.1
271.09845	1.4
283.09470	1.5
285.11255	1.4
299.09390	2.2
311.04144	2.8
311.09216	3.7
314.11627	4.4
315.12436	3.4
326.06540	8.2
326.10602	1.1
327.07138	2.3
329.09976	1.5
329.13943	40.4
330.14349	3.8
341.08777	100.0
342.09171	7.6
345.13593	1.9
463.24478	6.4
463.74268	2.9
536.16547	1.0
539.29645	1.1
540.39349	1.1
640.37756	1.8
641.37976	1.4
657.33557	1.5
665.38995	4.1
667.44836	1.4
701.24512	48.3
701.36890	13.3
702.24536	10.1
702.35352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83940	1.3
53.71098	1.4
54.95004	1.5
57.03445	2.9
58.00592	2.0
59.01381	27.2
60.41249	1.4
61.98835	100.0
67.01871	1.4
71.01389	25.7
72.99313	3.0
73.02943	9.2
75.00883	1.6
83.01394	2.4
83.05034	1.7
85.02963	8.2
87.00883	2.6
89.02456	18.8
93.03454	2.8
95.01437	1.8
96.96023	12.6
97.02921	2.2
97.06579	1.5
98.19904	2.6
99.00881	5.1
101.02448	12.6
106.06611	1.8
109.06616	1.6
111.12335	1.8
113.02429	4.9
119.03511	2.2
121.02988	2.3
124.01655	1.6
125.02468	2.6
125.94659	1.5
131.03528	3.0
131.18094	1.5
135.04471	2.9
137.02405	1.6
139.03929	4.1
149.04549	4.7
159.02983	1.8
161.04523	3.2
163.07635	2.4
165.01939	1.4
166.58649	1.4
171.10280	2.1
173.04527	2.7
179.07104	1.9
181.05037	1.6
191.05582	6.7
192.05936	1.8
201.05620	2.0
230.09354	2.8
233.06638	1.8
331.08231	4.0
507.35199	9.1
537.27167	3.5
538.27393	2.7
542.20074	9.3
597.32874	1.5
623.36493	2.0
639.39734	48.7
640.39844	8.7
663.37402	4.5
699.33936	23.4
700.35065	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	699.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47404	0.6
57.00589	0.7
59.01363	3.5
61.98833	1.3
63.27356	0.7
70.39943	0.7
71.01391	1.4
71.55637	1.0
79.95731	2.7
87.72637	0.7
96.96021	43.3
123.78478	0.9
126.71542	0.7
190.26283	0.8
191.30011	0.7
207.13919	0.8
320.26953	0.9
367.10754	2.0
390.94904	0.8
406.41364	0.8
449.18539	1.2
454.23315	0.8
495.35291	0.9
655.35297	0.9
699.34192	100.0
700.34528	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	699.3582
Annotation	Sileneoside H
Peak:m/z	Relative Intensity
59.01372	4.5
61.98834	12.0
69.34084	4.3
69.34512	3.6
70.73737	0.9
71.01383	3.4
73.02971	1.4
75.00865	1.9
75.15937	1.0
82.43321	0.9
85.02959	3.1
87.00847	1.0
87.95525	1.1
89.02441	1.4
96.96030	6.0
101.02438	1.2
113.02409	1.5
121.06589	4.2
123.08057	1.6
125.02416	1.3
135.04552	2.8
136.05319	20.3
137.09743	1.4
149.06071	4.7
150.06761	1.9
150.61606	1.0
163.07648	2.4
164.04808	37.0
165.05464	1.8
165.09227	10.9
173.04637	1.4
175.07674	2.2
177.05573	6.6
179.03395	1.1
180.41270	1.1
191.05617	2.6
193.08690	2.3
197.11980	1.0
209.11850	2.9
307.19299	1.9
312.06326	0.9
341.23267	1.2
343.21274	4.4
463.30597	3.3
491.30212	13.4
492.30508	4.1
509.31274	12.7
510.31586	1.4
519.29523	2.5
537.30682	24.5
538.31042	3.5
579.31750	1.7
655.36542	1.5
663.37604	4.4
699.35992	100.0
700.36462	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	699.3421
Annotation	Keayanine
Peak:m/z	Relative Intensity
55.91227	0.5
57.41575	0.5
59.01369	1.4
60.13655	0.5
64.20727	0.4
71.01390	0.5
77.28658	0.5
79.95734	1.4
80.96517	0.9
84.03246	0.5
86.01238	0.5
89.02461	0.6
95.95270	0.7
96.96018	44.8
98.20753	1.0
118.81356	0.5
210.99179	0.8
283.79739	0.6
304.68271	0.6
367.10678	1.5
375.25943	0.5
398.24030	0.6
449.18408	0.6
515.87592	0.6
655.35034	1.4
699.34192	100.0
700.34540	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98816	0.9
70.08557	1.6
71.01371	0.7
77.52725	0.4
79.95753	2.0
80.96529	0.6
96.96023	40.3
130.09503	0.4
138.97032	0.6
239.02544	0.4
367.10736	1.1
449.18570	0.6
585.23846	0.5
699.34198	100.0
700.34564	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	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
58.00583	4.2
59.01382	100.0
60.59531	2.6
60.64857	2.3
61.98834	22.1
65.54762	2.4
71.01388	62.4
71.69935	2.5
72.99323	5.5
73.02978	4.8
83.01416	3.7
85.02974	15.3
85.50770	2.8
87.00879	5.9
88.70537	2.3
88.98809	5.2
89.02451	69.3
93.03458	7.0
95.01408	7.8
96.96027	11.0
99.00891	2.6
101.02458	41.9
107.18149	2.3
108.02172	4.6
109.02959	8.3
113.02467	26.6
119.03510	28.8
119.05019	5.0
121.02981	7.4
123.04531	3.3
125.02435	4.0
131.03516	2.7
134.03761	3.0
135.04544	8.2
137.06032	3.1
143.03517	5.7
147.04533	4.1
149.04523	3.3
153.04155	2.5
157.08760	3.0
159.04460	3.7
160.05257	6.7
161.04625	5.3
161.06120	2.6
163.03999	3.8
173.04552	8.7
173.05943	3.2
175.04071	2.8
175.07729	2.8
179.05676	12.9
189.05608	9.0
190.06334	6.8
191.05609	23.3
191.07150	5.4
205.08670	5.8
253.05006	4.4
254.05865	5.0
267.06439	3.0
269.08185	10.7
281.08127	3.1
283.09738	5.6
338.11646	2.8
345.13391	4.3
353.09329	2.8
372.96063	3.0
429.13486	9.0
444.15778	13.2
459.18262	21.9
489.19235	78.2
490.19440	6.6
501.19266	58.7
502.19656	4.0
519.20056	3.0
645.38403	3.6
663.36993	4.7
669.25580	86.8
670.25830	16.5
681.25433	27.2
682.25720	5.8
699.38690	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51039	0.2
59.01403	0.6
59.38535	0.3
61.98835	100.0
70.55423	0.9
78.95914	0.6
88.67876	0.3
96.25131	0.3
96.96011	0.4
115.69592	0.3
133.02963	1.1
134.03775	1.2
135.04543	11.9
136.04860	0.5
137.02458	0.3
148.05330	2.2
152.40742	0.3
161.02483	2.7
164.16389	0.3
179.03500	9.3
180.03935	0.3
191.03564	0.5
209.11815	0.4
222.94232	0.3
453.33578	1.2
633.37970	37.8
634.38361	7.5
687.11139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06550	0.5
53.41116	0.4
54.63686	0.5
54.82211	0.4
55.26871	0.5
59.01384	100.0
60.01712	0.9
61.98845	3.7
63.80079	0.4
65.37838	0.4
67.43695	0.5
70.09725	1.9
71.01414	0.7
75.00897	1.2
80.96555	0.7
82.01922	0.5
85.02991	0.9
92.01417	0.4
95.42216	0.5
96.96033	1.0
118.04821	0.6
121.02995	1.8
171.10397	0.6
175.40752	0.5
191.03709	0.8
191.05646	0.7
209.04611	1.8
555.10034	0.5
589.08582	0.7
593.13635	0.8
599.86981	0.6
615.36047	0.8
661.36169	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	697.3269
Annotation	Zygophyloside O
Peak:m/z	Relative Intensity
50.54478	0.3
58.40656	0.3
59.01391	2.4
61.98822	1.3
69.94140	1.4
71.01366	0.7
73.02967	0.4
79.95752	2.1
80.96513	0.8
85.02973	0.6
89.02485	0.3
90.62257	0.4
94.72169	0.3
95.95253	0.7
96.96022	35.8
98.19947	0.5
101.02437	0.6
113.02448	0.4
139.11357	1.6
162.06917	0.5
163.07755	1.6
163.08839	0.3
173.04533	0.4
177.09276	0.4
177.85164	0.3
183.10242	1.7
191.05603	0.4
208.82745	0.4
209.74754	0.4
316.09091	0.3
351.11179	0.8
419.17395	0.5
431.17694	0.7
433.19150	0.7
475.34103	0.7
493.35226	0.8
505.25214	0.3
535.31116	1.2
591.29303	0.4
605.27972	0.4
637.40167	0.6
655.41473	0.5
679.31635	5.0
680.31519	0.7
697.32642	100.0
698.33002	17.2
701.55627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01376	5.1
60.77699	1.5
61.98817	6.6
69.91934	1.8
71.01388	2.5
71.55165	2.6
71.55563	1.9
72.99321	2.7
75.00877	29.7
80.91679	5.5
85.02966	16.0
87.00878	2.8
95.01414	2.0
96.96021	4.8
99.00936	1.9
105.58751	1.6
112.01675	2.0
113.02446	8.4
129.02055	2.3
293.67310	1.7
296.77652	1.7
317.54578	1.7
320.81683	1.7
354.11984	2.0
360.10526	1.6
395.45184	1.8
437.30624	3.5
439.32236	18.4
440.32767	2.9
451.84875	2.2
471.31265	2.5
615.35425	100.0
616.35736	18.2
637.33582	12.5
697.36084	28.8
698.35992	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	698.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94537	0.5
59.01391	1.4
61.98838	100.0
64.83633	0.4
71.03063	1.1
71.78532	0.5
72.54930	0.5
78.95930	0.5
81.56103	0.5
82.54848	0.5
85.39056	0.5
91.79184	0.5
96.96019	1.6
171.10287	1.4
258.10297	0.6
430.17123	0.5
679.79236	0.6
689.48260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11394	1.0
59.01384	6.2
60.99300	2.6
61.98850	2.3
66.01457	0.8
71.01389	3.5
73.02956	1.3
75.98132	0.9
78.95915	2.2
85.02961	2.1
85.53200	0.9
87.00872	1.1
88.98833	4.8
89.02449	4.0
89.35943	0.8
93.03471	2.5
96.96024	10.1
96.96966	1.9
98.95616	1.8
98.96345	0.9
101.02435	2.7
107.01399	2.2
108.02190	1.1
109.02984	2.3
113.02441	1.4
116.92856	1.6
119.03519	0.9
121.02992	1.9
135.04602	2.2
137.02469	1.7
144.70624	0.9
148.01677	1.0
151.00386	9.7
161.04613	0.9
163.00374	1.9
165.09213	1.1
167.03535	1.0
173.04536	2.8
177.01843	0.8
178.99910	4.6
179.03516	1.4
191.05602	8.6
226.02725	1.1
227.03500	2.2
237.12479	0.9
243.02957	5.1
254.02162	1.3
255.00534	1.5
255.03033	16.4
271.02484	35.9
272.03018	2.7
300.02768	73.8
301.03482	29.1
302.03976	1.7
400.43649	1.0
477.17731	6.3
609.14630	100.0
610.14832	11.7
699.39203	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	699.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.1
59.01384	28.9
71.01385	17.1
71.02968	1.2
72.99308	1.0
73.02934	1.0
78.95911	3.0
81.80660	0.5
83.01394	1.5
85.02939	3.7
87.00879	1.2
87.07565	0.5
89.02454	23.6
95.01394	1.2
95.68784	0.5
96.96030	1.0
96.96948	3.1
101.02448	13.4
113.02464	7.0
119.03517	11.5
131.03423	0.6
133.05058	1.3
143.03543	0.9
149.04567	0.6
161.04552	1.0
179.05643	1.1
205.12466	0.5
295.10355	100.0
296.10809	3.7
329.97699	0.5
422.04074	0.7
493.19202	0.6
634.16522	0.6
660.30011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13616	0.7
56.19067	0.7
57.24526	0.7
59.01385	18.1
61.98840	5.8
69.35712	1.7
69.36133	4.3
71.01382	10.0
71.78413	0.7
72.99320	1.2
73.02952	1.5
78.95914	0.9
82.06287	0.8
83.01411	1.0
84.48793	0.7
85.02952	4.3
87.00858	1.4
89.02465	6.6
93.03496	1.4
96.96019	2.6
98.19841	1.5
101.02469	4.3
108.09420	0.9
113.02471	2.3
119.03476	1.0
119.05047	2.1
125.02493	1.0
127.04042	1.0
131.03487	0.9
149.04530	1.3
151.00381	2.2
161.04585	1.5
163.07727	1.0
167.17290	0.7
173.04590	3.2
177.02008	0.9
191.05656	6.3
195.18262	0.8
197.11768	0.9
201.54489	0.8
208.68307	0.7
271.06073	4.9
302.51117	0.9
485.32971	4.5
503.33954	2.0
617.36871	4.6
635.38013	100.0
636.38336	19.4
659.37463	1.0
695.37616	5.6
696.36731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.98837	100.0
62.96256	0.3
69.68578	0.6
69.68988	1.1
78.95927	0.4
115.04939	0.2
123.36023	0.2
135.04539	4.0
148.05354	1.1
161.02480	0.9
179.03506	4.0
191.05577	0.5
218.25180	0.3
242.81627	0.3
248.45117	0.3
419.51816	0.3
453.34125	0.5
633.38007	14.8
634.38458	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	694.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59513	0.3
57.03466	0.4
59.01377	1.0
61.98835	100.0
69.26413	1.8
71.01415	0.3
71.44364	0.3
75.00871	1.8
78.14162	0.3
78.95930	0.4
85.02960	1.4
113.02489	0.8
121.02998	0.7
174.13937	0.2
181.05177	0.4
209.11946	0.3
407.65619	0.3
455.34979	0.4
631.38550	10.0
632.38788	1.7
635.40015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
59.99242	0.4
64.60374	0.4
67.01888	0.5
69.03462	0.4
69.18941	1.3
69.19367	2.6
71.01399	1.5
73.02948	0.5
74.15679	0.4
78.95908	5.1
85.02957	7.1
86.54947	0.4
87.00898	2.3
89.02441	0.6
93.03468	4.9
96.96007	0.7
96.96971	5.4
98.20628	0.7
99.04577	0.6
101.02422	0.5
108.81322	0.4
109.03003	0.5
111.04530	0.8
113.71453	0.4
119.05035	0.7
127.04022	1.8
133.02972	1.1
134.03296	0.4
135.04526	5.2
136.04825	0.6
155.03500	0.5
155.65363	0.4
161.02457	1.5
163.03978	1.4
171.03058	0.4
173.04568	6.2
174.04980	0.5
179.03561	4.0
191.05627	100.0
192.05995	2.6
192.07523	0.4
198.90526	1.2
216.93002	0.6
316.82721	1.7
334.84128	1.5
352.85046	0.9
353.08945	14.8
354.08963	1.2
619.97717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24102	0.5
59.01385	100.0
60.01720	1.1
61.98837	0.5
70.51260	1.4
76.63443	0.5
78.95913	15.1
88.47153	0.5
96.96980	0.4
123.60426	0.5
152.99620	1.7
171.94133	0.5
204.73459	0.5
205.16042	1.1
257.77240	0.5
279.23300	2.9
285.12766	0.5
360.57504	0.6
360.62000	0.5
415.22754	1.2
695.31219	45.2
696.31531	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	694.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.17924	0.1
59.01387	0.5
61.98835	100.0
70.40774	0.1
70.75933	0.3
70.76268	0.1
71.01405	0.4
72.99326	0.2
75.00877	2.4
78.95921	0.6
83.01393	0.1
85.02958	1.9
95.01418	0.2
96.96038	0.2
99.00941	0.2
112.01648	0.1
113.02452	1.2
121.94633	0.1
152.99631	0.4
157.01454	0.1
158.58530	0.1
280.54202	0.1
367.60226	0.1
386.48001	0.1
440.65671	0.1
455.35483	0.5
555.36987	0.2
614.90118	0.1
631.38513	11.5
632.39001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	55.4
58.03791	0.8
59.01384	4.2
69.32189	1.2
69.32596	5.6
71.01364	1.8
83.01374	1.0
83.67396	1.0
85.02985	1.4
87.00842	1.2
89.02471	1.8
89.13171	0.8
93.03477	1.2
96.96003	2.2
98.09235	0.8
98.20614	1.4
99.03922	1.4
99.04532	24.5
101.02450	13.9
109.02927	1.9
116.05057	2.4
121.02891	1.0
122.03727	1.1
123.00882	1.6
125.02461	12.5
136.00595	1.6
136.01674	26.9
137.02423	3.7
137.04956	0.9
147.04510	0.8
151.00395	6.1
151.04019	37.2
152.04445	1.4
160.04048	2.9
160.05208	1.0
166.02716	21.3
177.01935	1.2
177.05595	1.1
179.03409	1.1
181.03481	1.4
181.05086	26.2
182.05328	1.0
191.05612	2.3
313.12097	0.9
357.09900	6.3
357.13687	1.2
372.12155	6.5
373.12552	1.2
387.14536	100.0
388.14929	10.3
409.26239	0.9
420.15680	1.3
454.77750	1.0
643.23553	2.2
661.25293	2.9
675.26831	2.0
693.20282	5.6
693.28247	1.3
693.31116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77867	1.9
56.21497	2.0
59.01375	5.7
69.28775	18.5
71.01380	3.7
78.91420	2.1
81.03460	2.5
85.02953	3.4
89.02496	2.4
93.03505	4.2
96.96025	27.2
98.95599	6.0
101.02438	3.5
103.38282	2.1
113.51071	1.8
115.82124	2.3
115.82885	2.2
122.06119	10.0
128.32961	2.0
133.02959	9.8
134.03728	2.5
135.04553	2.7
137.02516	2.5
144.04581	2.4
155.03548	2.3
173.04559	7.9
176.07167	2.8
177.01878	5.2
178.02672	5.3
183.68451	2.0
191.05606	17.8
193.05077	2.1
204.06647	4.7
225.06425	2.2
227.11899	2.7
238.07506	3.4
239.08237	8.0
240.09120	2.1
241.09790	2.4
251.11955	4.0
252.08745	2.3
253.06190	2.5
253.09872	12.6
255.11250	2.4
262.07529	2.5
265.06036	4.7
265.09882	2.2
266.07022	4.8
267.07709	9.0
267.11279	10.1
268.08585	3.6
279.07828	6.2
280.08566	10.4
281.09277	16.8
282.09979	4.8
283.10858	13.1
284.11349	3.0
285.12552	2.6
286.09692	2.9
294.09766	2.6
295.10880	56.2
296.11523	13.3
298.09540	7.5
311.10544	12.7
312.11118	5.2
313.11963	5.8
319.14453	2.5
327.09781	2.5
327.13361	3.9
328.10580	3.4
333.10989	3.1
334.11942	6.8
339.08975	12.8
341.11343	5.0
343.13251	3.9
346.15616	3.9
348.13483	7.1
351.12094	4.1
362.15268	4.0
362.99356	2.3
364.13037	4.7
371.12314	2.3
372.13412	2.9
374.11545	3.8
376.12790	3.8
376.16916	4.4
378.14548	4.6
379.15393	3.0
388.12921	7.1
390.14581	23.1
391.19067	2.7
392.12323	9.4
392.16705	4.3
402.14679	4.6
404.16327	11.2
405.16919	4.8
406.13940	23.8
407.14542	13.0
418.17917	3.7
420.15680	26.0
424.15115	2.8
434.17792	11.6
435.18060	17.9
436.18829	4.5
438.16461	5.2
448.15253	3.5
452.18192	4.2
464.14618	6.4
479.16977	27.6
480.17590	5.3
511.19653	41.2
512.20343	5.2
543.18274	6.4
557.23785	4.1
599.25269	20.3
600.25348	3.9
601.22961	13.9
602.23627	3.1
617.26093	6.0
633.25861	10.1
634.26135	2.9
643.24060	84.2
644.24585	10.5
661.25195	100.0
662.25079	18.1
675.26611	47.8
676.26776	7.9
693.28583	35.3
694.28424	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	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67183	0.4
55.01872	0.6
57.03466	0.8
57.49874	0.3
58.00605	0.5
59.01384	18.5
60.91701	0.4
61.98825	1.6
69.23407	3.2
69.23821	0.7
71.01011	0.8
71.01387	12.9
72.99306	1.1
73.02959	2.0
75.00923	0.6
78.95897	0.8
81.03445	0.6
83.01397	1.6
85.02950	2.8
87.00886	2.5
89.02453	12.2
95.01405	1.1
97.02949	1.8
99.00867	0.8
101.02451	10.5
109.02953	0.4
113.02457	5.8
119.03514	3.7
125.02483	2.8
133.05101	0.7
143.03493	1.8
143.49709	0.4
149.04558	0.9
161.04622	1.9
166.93739	0.4
179.05603	3.1
179.14442	0.8
190.27046	0.4
191.05603	0.6
195.13918	7.5
196.14505	0.7
197.29367	0.4
205.12245	0.7
209.04350	0.4
218.74997	0.4
221.06664	0.7
223.13390	6.5
235.08186	3.3
253.09303	1.4
256.13150	1.4
275.20163	3.5
284.83936	0.4
287.07834	0.8
293.21240	100.0
294.21591	8.6
305.08847	0.9
323.10178	0.5
397.13504	21.7
398.13834	1.7
415.14575	24.9
416.14600	1.8
550.31091	0.5
633.01636	0.5
654.27448	0.6
667.97839	0.5
691.36536	2.1
692.37000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.0
74.80355	1.5
78.95910	55.6
81.15440	1.9
83.05024	2.6
96.96960	5.3
97.02930	4.4
109.06594	26.8
122.97576	4.1
135.08081	1.6
152.98436	3.0
152.99600	51.3
161.09685	2.2
163.11296	11.9
171.00612	4.7
181.12376	5.0
207.10271	38.0
225.11319	33.0
226.11838	2.4
227.03267	1.9
255.23302	81.4
256.23615	7.3
277.21719	33.1
354.86465	2.1
361.10657	8.8
413.21066	17.1
431.21780	4.7
432.64191	1.9
435.14127	5.4
483.27158	2.9
640.60681	2.2
691.38177	100.0
692.38586	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	693.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80495	0.7
59.01390	5.5
59.36044	0.7
60.99321	3.2
67.01899	8.2
68.81251	0.7
69.03478	3.0
69.78689	2.4
69.79103	2.0
71.01385	5.6
73.02971	1.3
74.16557	0.8
74.81581	0.7
81.03490	1.8
83.01390	0.8
83.05052	1.4
85.02957	11.8
87.00884	11.2
87.01379	1.0
89.02458	1.7
93.03463	58.8
94.03798	1.7
95.05054	0.8
96.96053	2.2
99.00929	1.0
99.04523	2.1
101.02442	1.8
105.03459	1.5
108.02170	0.8
109.02972	3.0
111.04532	10.0
113.02452	3.0
115.04063	1.0
127.04051	3.0
129.01962	1.2
132.02199	6.0
133.02971	16.8
134.03738	2.7
135.04544	10.0
137.02452	1.4
143.03502	0.9
146.03828	1.0
147.04532	1.0
155.03563	2.0
160.01677	15.9
161.02452	6.3
161.06168	1.3
162.03291	1.3
171.02945	1.1
173.04553	27.3
177.01932	4.8
177.05623	1.9
178.02730	2.4
179.03506	8.1
185.02443	2.0
191.05624	100.0
192.06006	3.3
193.05011	5.1
203.03494	1.2
210.83232	0.8
215.05669	7.1
215.31523	0.8
220.03769	1.7
220.60623	0.7
239.08347	0.9
253.09746	0.9
257.09360	1.1
259.10754	0.9
275.10358	1.0
282.70413	0.7
295.10315	1.2
307.08157	1.0
321.07693	4.1
339.08716	9.0
349.14081	5.1
351.07224	15.7
352.07623	1.5
367.10477	3.9
381.09848	5.6
397.76407	0.8
406.14166	1.1
407.14505	0.8
479.16489	1.2
501.14011	15.0
502.14365	2.7
511.19110	1.1
513.06519	1.3
513.14044	22.8
514.14014	4.0
519.14880	2.4
543.18024	0.9
643.23730	1.4
661.24731	1.1
675.26691	5.0
693.20020	43.8
694.20282	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	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.5
61.98839	8.8
64.69954	1.3
67.60202	1.3
69.03459	1.7
70.24582	1.5
71.01385	10.3
71.56033	1.7
73.02959	2.3
78.95906	1.7
81.03473	1.4
83.01381	2.0
83.05029	4.3
83.45197	1.5
83.64738	1.3
85.02956	2.8
89.02451	6.9
93.03505	1.5
96.96015	1.9
97.06596	3.7
101.02437	4.9
113.02468	4.1
125.02414	1.5
151.11288	13.9
161.04643	2.4
163.11282	3.3
165.12900	1.8
169.12357	69.7
170.12605	2.1
173.04512	2.7
179.17503	1.4
191.05605	4.1
209.11832	49.0
210.12126	2.6
213.11310	10.8
227.12822	4.3
235.08243	2.0
253.09326	4.2
288.48462	1.4
384.89426	1.7
449.20453	7.0
641.31732	2.7
653.41357	5.9
655.42371	2.7
659.32898	100.0
660.33148	18.1
691.36194	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	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
61.98830	1.7
69.39310	3.1
70.99306	0.6
71.01398	2.9
73.02942	1.3
80.02679	1.3
81.03481	1.1
83.01404	0.9
83.05032	3.9
83.72435	0.6
85.02982	1.3
88.91508	0.5
89.02444	2.0
93.03493	0.8
95.05004	1.1
101.02439	3.2
105.70592	0.6
109.06545	0.7
113.02448	1.1
125.09744	1.0
127.11311	1.1
131.51497	0.6
135.08086	0.6
136.59410	0.5
141.27928	0.6
143.03513	1.0
153.59224	0.6
163.11290	3.6
165.09216	0.6
165.12843	2.5
171.10281	1.5
173.04550	0.7
191.05550	0.9
201.11339	25.1
202.11664	1.4
202.25694	0.6
203.70604	0.5
209.11841	100.0
210.12169	6.2
225.11415	0.5
227.12898	13.1
228.13329	0.6
235.08133	2.6
253.09283	7.4
254.09569	1.0
350.11838	0.6
437.20407	0.7
445.20743	2.2
552.10956	0.7
637.32581	0.7
691.36206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	13.4
61.98828	5.2
69.03462	3.5
71.01395	12.9
78.95903	8.1
83.50275	2.4
85.02946	2.7
87.00935	2.7
89.02451	7.0
98.19897	7.6
101.02437	9.7
109.07382	2.5
126.38369	2.5
143.03464	3.2
147.77710	2.7
152.99614	4.2
155.21617	2.7
169.74681	3.0
179.14510	2.7
191.10851	4.8
195.13901	4.8
209.11852	100.0
210.12079	4.0
227.12891	15.5
235.08119	5.0
237.01669	3.0
253.09373	5.7
282.38577	3.1
293.21265	54.8
294.21515	3.4
335.28687	2.8
397.13461	13.2
415.14578	13.9
445.20795	12.7
637.31531	6.0
691.31415	25.7
692.31708	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	689.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03577	2.0
59.01384	18.2
61.98840	17.9
65.01000	1.8
71.01380	14.8
71.56431	2.7
73.02954	2.1
78.95918	5.4
85.02948	6.0
86.20287	2.6
89.02453	3.5
96.96024	26.2
101.02441	9.3
113.02467	3.6
125.02454	3.1
141.05399	2.1
152.99590	2.2
161.04469	2.0
171.10185	2.2
173.04515	2.8
177.80183	2.4
191.05682	4.0
195.06612	8.7
209.11800	6.3
217.35172	2.1
491.35751	3.1
653.41235	100.0
654.41492	14.4
671.41266	2.3
689.39099	28.3
690.39716	4.3
713.99194	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	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
71.01413	0.8
72.38599	0.4
85.02956	5.0
87.00887	1.3
93.03458	4.2
96.93877	0.5
101.52245	0.4
111.04532	1.6
119.05037	22.9
127.04035	1.6
133.02950	0.5
135.04579	2.1
155.03514	1.5
159.37854	0.4
161.02484	1.2
163.04027	46.1
164.04381	1.7
173.04536	5.3
179.03519	2.4
191.05626	100.0
192.05992	2.9
337.09290	15.2
338.09625	1.6
353.08765	15.4
354.09082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62711	0.8
55.77060	0.7
58.84062	0.8
59.01379	0.9
60.51611	0.7
65.17779	0.7
66.26395	0.8
85.02972	6.0
87.00882	1.1
91.33001	0.9
93.03465	4.6
96.96039	1.0
100.63381	0.7
111.04549	2.1
119.05037	31.3
120.05370	1.3
127.04032	1.8
135.04526	3.3
137.02454	1.0
155.03554	2.0
161.02454	1.6
163.04019	61.1
164.04391	2.5
173.04535	6.1
179.03513	2.3
191.05627	100.0
192.05968	2.8
207.05069	1.5
211.22537	0.7
233.80040	0.9
248.71335	0.8
337.09326	29.3
338.09729	2.7
353.08728	13.4
354.09256	1.2
547.08698	0.9
613.44012	0.8
691.19263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	17.1
61.98833	7.3
70.03241	3.1
70.03519	14.7
71.01382	14.2
78.95495	4.1
78.95917	54.4
79.95744	3.4
80.96518	7.6
83.01416	4.3
85.02928	4.4
86.69481	2.8
89.02449	12.1
89.42652	3.3
92.18592	2.9
95.66120	2.9
96.96038	6.5
96.96950	6.0
97.89897	3.2
101.02448	11.6
113.02458	6.9
113.09697	3.5
125.02440	6.4
151.00378	3.1
152.99585	28.4
167.00948	3.1
179.05603	4.4
209.11806	21.9
235.08199	8.6
255.23317	35.1
256.23715	3.6
293.21185	14.2
299.01929	3.2
305.09003	4.8
363.12061	6.7
397.13519	100.0
398.13837	5.0
415.14594	26.7
429.20648	5.5
647.71027	3.3
653.37854	11.9
657.33997	21.6
689.35516	72.6
689.76880	5.9
690.35999	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.1
59.50103	3.3
61.02149	4.7
61.98834	13.4
71.01382	17.8
73.02946	3.7
78.95887	12.5
80.96535	5.9
89.02460	17.3
89.51430	4.0
91.09957	3.4
96.87693	3.7
98.19903	13.0
101.02439	14.0
113.02441	6.5
125.02466	6.8
145.14536	4.0
152.99626	4.8
161.04559	4.3
184.74335	4.2
191.05630	4.5
222.47571	4.1
235.08192	6.6
255.23299	41.8
299.01944	5.2
397.13510	100.0
398.13989	7.6
415.14581	27.1
420.48895	4.1
615.07233	4.3
653.37286	17.1
689.35095	67.0
690.35327	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	689.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13446	10.0
50.88578	11.2
51.47592	10.8
57.03468	13.6
59.01380	49.1
61.98849	28.2
63.41065	11.5
70.85915	30.6
71.01410	27.0
78.95905	50.4
90.51031	11.1
96.96007	46.2
101.02434	13.3
110.41176	10.2
145.30345	12.3
151.07632	24.0
152.99629	15.1
165.59921	11.8
173.04564	12.7
191.05733	13.5
195.06660	72.2
196.06886	15.5
207.10321	54.1
209.11824	100.0
214.83868	14.5
225.11330	31.4
381.20703	18.2
399.21756	30.7
461.20416	17.4
602.38623	12.2
617.29889	15.7
621.03125	11.8
635.30865	70.8
653.32190	58.3
689.39349	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	687.3963
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
56.46270	0.4
57.03454	0.6
57.83790	0.4
58.87031	0.4
59.01385	4.4
61.79325	0.4
61.98842	2.2
63.92184	0.4
71.01384	2.4
71.05015	0.5
73.02947	0.5
75.00863	0.6
76.53442	0.4
83.04996	0.7
85.02943	2.0
86.03182	0.4
86.54248	0.4
87.00896	0.7
89.02465	1.4
93.03466	0.8
96.96031	4.6
98.20779	0.8
99.04505	0.6
101.02433	1.2
111.04564	0.7
113.02448	1.3
119.03522	0.7
121.02969	0.8
123.04535	0.8
125.02468	0.6
135.08194	0.8
136.05313	0.7
137.09651	0.6
143.20270	0.4
149.06111	5.0
149.09683	0.6
150.06877	33.9
151.07381	1.3
153.09288	0.5
155.10774	0.6
161.09698	0.8
162.06795	1.0
163.07663	8.8
164.08420	6.6
167.10750	0.5
173.04500	0.6
176.08401	0.8
177.09262	0.7
178.10005	2.1
179.05600	0.6
179.10797	16.8
180.11099	1.0
191.05621	2.9
193.08717	0.9
209.11899	0.8
261.02524	0.4
271.09824	1.0
329.13959	1.1
339.83441	0.5
343.25021	1.4
345.22800	4.4
385.77451	0.4
446.30344	0.7
464.31494	5.2
465.31805	0.7
478.32556	0.9
479.33707	6.9
480.34171	1.1
506.32565	1.9
507.33252	2.7
524.33777	2.1
525.34387	27.8
526.34949	2.9
643.36011	0.5
687.39636	100.0
688.40002	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03428	2.0
59.01384	16.1
61.98837	19.8
65.89728	0.9
69.03448	1.7
71.01390	15.7
73.02921	3.2
80.02654	1.4
81.03428	2.6
83.01374	2.2
83.05038	6.1
85.02950	5.4
87.00853	2.0
87.27798	1.0
89.02448	9.2
93.03426	3.2
96.95972	3.2
97.06541	1.1
99.00865	1.7
99.04469	1.1
101.01917	0.9
101.02453	11.4
107.48440	0.9
109.06574	5.3
111.04503	2.5
111.08154	1.0
113.02470	5.5
119.03468	2.9
123.08122	1.5
125.02435	1.6
125.09697	2.6
135.04523	1.3
135.08072	1.6
136.05281	1.3
139.03957	1.1
151.07610	2.1
151.11238	2.2
153.05568	1.9
153.09235	1.4
153.12785	1.2
156.99016	0.9
161.04482	2.7
162.06783	1.5
163.07539	1.1
163.11305	6.6
165.12912	1.8
167.03471	1.3
169.12344	27.6
171.10233	9.9
173.04558	4.5
177.09209	2.0
179.05617	1.3
179.10724	2.2
181.12346	1.8
191.04277	0.8
191.05649	9.4
191.10577	1.1
192.05855	0.9
195.10045	1.4
197.11847	51.0
198.12074	3.0
201.11226	1.2
205.08659	2.0
207.10304	2.3
208.10614	1.3
209.11838	74.3
210.12068	3.8
213.11331	1.3
223.09796	4.6
225.11182	3.3
227.12910	8.9
228.13164	1.1
229.42250	1.0
235.08110	2.7
241.10724	1.6
253.09312	7.0
281.09354	1.2
329.23175	3.0
354.27539	1.0
459.18106	1.2
463.30511	2.1
481.31506	2.7
510.15643	1.0
525.30707	4.8
615.29602	1.9
643.37122	6.7
651.30762	1.1
669.30701	2.8
687.32153	100.0
688.32629	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	687.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23488	0.5
52.68094	0.5
59.01377	1.7
60.99311	1.7
67.01887	2.5
69.03447	0.9
71.01379	2.4
75.11571	0.5
76.87797	0.6
81.03448	0.7
83.35661	0.6
85.02951	4.9
87.00871	5.1
88.98792	0.6
93.03469	20.5
96.96019	1.8
99.00946	0.6
111.04526	3.2
115.78194	0.5
119.05031	6.0
121.02975	12.5
127.04032	1.3
135.04535	0.9
137.02495	0.5
145.02966	1.5
149.02515	0.6
155.03494	0.9
163.04015	6.7
169.17064	0.6
173.04544	11.7
191.05620	100.0
192.05919	3.1
209.04549	11.8
210.04861	0.6
218.05940	0.6
293.08749	0.6
300.59958	0.5
337.09302	33.3
338.09720	2.6
371.33203	0.5
489.15878	0.6
534.96588	0.5
649.36658	0.6
687.17853	0.7
687.34686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01390	7.3
59.61691	0.6
59.80339	0.5
61.98826	1.2
61.99121	0.5
62.17130	0.5
63.11500	0.5
67.14178	0.5
69.03461	4.2
71.01391	7.3
71.05010	2.4
72.99280	0.9
73.02932	2.0
74.37106	0.5
80.02683	1.5
81.03441	1.6
83.01385	1.2
83.05040	4.7
84.02174	1.2
85.02954	2.1
87.00854	1.6
89.02464	3.0
93.03453	1.2
95.01388	0.7
95.04998	1.1
96.95964	0.7
97.02979	0.6
97.06583	1.4
98.20686	1.0
99.00895	0.9
101.02456	4.8
109.06571	1.5
111.04553	1.0
113.02429	2.4
119.03475	1.4
123.08163	1.3
125.06059	0.6
125.09748	3.6
131.03410	0.5
135.08176	0.9
151.07637	0.7
151.11253	2.1
161.04556	1.1
161.09705	3.1
163.11305	4.1
165.12839	3.3
171.10280	1.2
179.05562	0.8
179.10782	7.2
179.14574	0.5
181.12270	0.8
191.05569	0.8
191.10745	0.9
197.11838	48.0
198.12125	3.1
205.30389	0.6
207.10211	0.7
209.11838	59.9
210.12314	3.2
223.09557	1.5
225.11226	1.2
227.12918	4.1
228.46645	0.5
235.08316	0.6
241.10858	3.2
253.09306	3.1
301.38593	0.6
326.74240	0.6
463.30670	1.5
477.19501	1.6
507.33194	0.7
643.36853	3.4
669.30975	1.2
670.31219	0.7
687.32233	100.0
688.32611	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	686.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	39.1
125.97134	0.9
151.00352	3.3
158.46086	0.9
194.11417	1.0
199.04047	2.5
208.85219	1.0
227.03493	3.7
233.75002	1.0
242.02185	1.8
243.03000	19.3
244.03645	1.6
255.03020	9.0
257.04474	2.6
259.06198	1.2
270.01791	2.3
270.77835	1.0
270.99731	1.8
271.02509	29.3
272.02972	3.5
285.04034	5.6
286.04614	1.3
287.05621	1.4
299.02017	28.2
300.02716	25.5
301.03070	2.0
314.04352	30.1
315.05103	62.2
316.05405	3.9
554.50513	0.8
623.16174	100.0
624.16449	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	685.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52537	0.9
57.03445	1.9
59.01385	29.0
61.98544	1.0
61.98838	16.5
64.45988	0.9
67.32726	0.9
71.01390	11.9
71.56808	1.7
72.99297	2.2
73.02947	4.2
75.00877	1.2
75.58813	1.0
79.27701	1.0
83.01388	3.1
85.02968	8.0
87.00883	2.5
89.02455	6.8
93.03442	3.5
94.48550	1.2
95.01418	1.2
96.96032	7.1
99.04543	1.1
101.02460	9.5
109.06505	1.4
111.04527	2.0
113.02440	3.1
122.03718	1.0
123.04569	1.4
123.08138	1.7
125.02457	1.3
131.03485	4.0
135.04558	2.0
137.02393	1.2
149.06041	2.3
150.06865	22.9
151.07559	1.8
161.02501	1.1
161.04469	1.1
162.03226	4.2
163.07628	7.1
164.08406	4.6
171.10185	1.7
173.04573	6.1
177.05540	3.1
177.09216	1.6
179.10791	11.2
191.05641	5.3
209.11879	2.6
219.32878	1.0
343.21231	3.1
373.26071	1.4
462.29916	1.7
476.31265	1.3
477.32111	4.6
479.29440	1.1
504.30478	1.9
505.31805	2.6
522.31769	4.1
523.25592	1.3
523.32867	19.1
524.33429	2.8
539.37048	1.8
625.37207	1.7
641.34821	3.0
685.37817	100.0
686.38092	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	685.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.71030	0.7
57.03454	1.4
59.01382	7.2
61.98848	3.4
71.01392	5.3
71.54937	0.6
73.74439	0.6
83.01411	0.7
85.02956	3.1
87.00869	1.2
89.02428	3.3
93.03458	0.6
95.01353	0.9
97.06594	0.8
101.02451	2.8
105.33197	0.7
105.39258	0.7
111.04543	0.8
111.08158	1.2
113.02447	1.9
117.28854	0.7
123.08183	1.1
126.35109	0.7
135.04550	1.4
135.08179	0.8
137.09685	0.7
142.81343	0.7
149.06070	1.9
150.05676	1.5
150.06877	30.6
151.07260	1.8
161.02455	1.1
161.04559	1.3
162.06882	0.9
163.07645	6.1
164.08414	6.9
165.05649	0.9
177.09293	0.9
178.10019	1.3
179.03560	0.8
179.05602	1.3
179.10791	17.9
180.11147	0.9
191.05602	1.0
221.11809	0.7
242.73114	0.6
257.64401	0.7
306.18417	1.1
321.20694	1.0
322.17770	0.8
327.59863	0.8
341.23587	1.2
343.21304	4.7
459.31439	0.9
462.29855	1.8
477.32184	7.1
478.32510	1.1
505.31735	2.4
522.31775	2.5
523.32819	27.0
523.40704	1.4
524.33405	3.4
625.37982	1.6
633.53265	0.8
641.34509	1.5
685.38123	100.0
686.26758	1.1
686.38361	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
59.01373	7.5
63.03165	1.6
63.74150	1.5
71.01376	5.3
78.95934	2.4
83.46178	2.1
85.02969	1.9
89.02445	3.2
97.06606	14.7
101.02455	4.1
108.08338	1.5
113.02396	2.7
123.08174	8.3
125.09735	100.0
126.10058	4.4
143.10849	2.4
147.90948	1.5
152.99556	2.6
154.96597	1.6
166.48886	1.5
169.08711	2.1
187.09761	74.1
188.10097	2.4
223.79797	1.8
253.09276	3.2
255.23337	3.3
261.13446	2.1
267.17029	1.8
277.21704	15.0
278.22421	1.6
282.10629	1.7
405.17755	5.8
423.18658	17.8
683.40137	98.0
684.40601	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2716
Annotation	(+)-Secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
58.00474	1.1
59.00996	1.2
59.01224	17.4
59.01563	14.4
61.98695	1.5
61.98998	1.5
66.44909	0.7
71.01151	10.8
71.01595	13.6
72.01923	0.8
72.99138	1.5
72.99496	1.6
73.02714	1.6
73.03168	2.0
75.01125	0.9
80.02475	1.0
80.02887	1.6
82.08230	0.7
83.01104	1.7
83.01608	1.8
85.02615	2.6
85.03198	4.7
87.01038	1.1
89.02070	4.2
89.02699	8.7
93.03636	0.9
95.01008	1.3
95.01633	2.1
96.95676	1.0
96.96220	1.4
99.01100	1.1
99.04063	3.0
99.04780	8.2
101.01973	3.3
101.02724	9.0
107.08913	1.7
108.01635	2.2
108.02461	8.0
109.02402	3.7
109.03236	14.0
113.02749	6.6
119.03791	4.1
120.06042	1.1
121.06837	1.7
122.04027	0.8
123.01123	1.2
123.04815	1.8
135.04768	1.1
143.03696	0.8
149.04895	0.9
151.04266	0.8
161.04898	4.6
161.31570	0.7
167.03746	1.9
176.18578	0.8
189.11378	1.4
189.13199	21.2
191.05994	1.7
207.14276	5.4
222.27159	0.9
231.14053	1.9
233.12215	2.5
251.12881	7.9
271.08530	1.7
275.13205	1.2
299.13110	1.4
317.14224	1.8
365.02368	0.8
395.16913	0.9
413.18170	1.8
505.20801	100.0
506.21048	10.1
685.26721	29.6
685.38489	1.8
686.27148	5.4
707.74945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
69.62242	0.3
70.84566	0.8
71.01356	0.3
79.95733	1.5
80.96502	0.5
89.81390	0.3
95.19267	0.3
95.95233	0.7
96.96019	34.8
111.81969	0.3
119.83568	0.3
135.79674	0.3
138.97108	0.3
187.28427	0.3
192.55067	0.3
216.59998	0.4
226.98662	0.5
252.15948	0.3
285.76306	0.3
351.11163	2.1
367.91891	0.3
403.14597	0.3
419.17490	0.5
433.18985	1.2
446.48325	0.3
513.25507	0.6
569.24298	0.6
603.38757	0.5
623.31848	0.3
639.35889	1.2
683.34711	100.0
684.35034	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	683.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52880	0.3
52.66484	0.3
52.67698	0.3
58.00130	0.3
59.01391	1.9
61.98830	1.8
69.99877	0.9
71.01376	1.1
73.02953	0.3
73.37101	0.3
79.95730	1.2
80.89046	0.2
80.96509	1.2
83.01386	0.3
85.02934	0.4
89.02427	0.3
93.03445	0.5
96.96020	33.0
101.02470	0.4
135.04492	0.4
150.15970	0.3
156.63849	0.3
163.07713	0.4
173.04527	0.6
185.77504	0.3
191.05565	0.7
285.26691	0.3
419.17346	0.7
464.25473	0.3
623.33221	0.4
653.30273	1.0
683.34686	100.0
684.35004	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	683.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.7
61.98835	10.3
69.17913	30.3
71.01384	22.9
85.02956	12.6
89.02448	14.0
93.03451	6.0
96.96020	9.1
98.19869	7.1
101.02436	11.5
113.02444	6.7
117.03470	7.2
119.03492	4.2
119.05023	6.1
125.02464	6.5
135.04544	3.5
145.02924	21.3
160.61473	3.4
173.04524	7.6
191.05603	17.2
191.07153	5.6
192.05966	3.7
307.08276	9.3
384.16367	3.7
387.14175	3.5
493.30219	4.3
546.26288	3.9
623.36542	9.8
683.30841	100.0
684.32648	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	683.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
59.59605	0.3
69.18444	1.0
69.18857	2.1
79.95765	1.5
80.96500	0.5
87.17668	0.3
95.95263	0.6
96.96023	34.2
98.20778	0.5
274.01126	0.4
298.51450	0.3
351.11148	1.6
361.29416	0.3
419.17392	0.4
433.18781	0.7
513.25092	0.5
569.23993	0.4
592.22632	0.3
639.35986	0.9
647.91589	0.4
683.34717	100.0
684.35101	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42787	0.4
57.03453	0.8
58.00600	1.7
58.11678	0.4
59.01384	42.8
69.44357	2.0
69.44772	1.2
71.01385	30.0
72.99313	1.4
73.02943	1.0
83.01391	0.9
85.02954	4.2
87.00897	1.2
89.02451	40.2
90.02773	0.6
95.01390	1.4
101.01800	0.9
101.02454	15.4
101.03116	1.0
108.01871	0.4
110.00049	0.5
113.02458	13.2
115.40607	0.4
119.03504	13.7
131.03520	2.3
131.04381	0.4
139.68878	0.4
143.03496	2.1
149.04570	1.3
161.04572	4.4
169.79901	0.4
179.05618	16.1
288.14813	0.5
332.76901	0.4
341.10886	100.0
342.11185	7.0
370.98669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96053	4.1
59.01383	31.6
59.47460	4.2
61.98823	13.3
69.26752	4.6
69.27052	43.6
71.01379	17.7
72.29662	4.2
85.02953	12.8
86.19719	4.5
89.02439	13.9
96.95983	8.7
100.67714	4.4
101.02434	13.5
109.84304	4.4
113.02454	8.5
117.03468	9.3
119.03481	7.5
121.02912	4.2
135.04501	5.9
145.02986	22.7
176.04822	4.7
179.07086	5.1
191.05621	10.9
254.93155	4.4
263.90988	4.9
307.08295	7.1
380.15378	5.0
486.85776	4.9
521.33545	4.9
623.36273	6.1
683.30945	100.0
684.32294	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	683.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01384	18.8
65.89313	0.4
67.01887	2.0
69.03458	1.1
69.50850	0.5
71.01389	12.2
72.99318	0.9
73.02966	0.7
75.13482	0.5
78.95879	0.5
83.05067	0.6
85.02956	6.4
86.15699	0.4
87.00879	4.1
89.02454	16.2
90.21713	0.4
93.03465	13.8
95.01399	0.7
96.72880	0.4
96.96016	2.1
98.19867	1.1
99.04497	0.8
101.02449	5.9
109.02952	1.1
111.00864	0.7
111.04527	2.0
113.02467	5.0
119.03519	6.4
125.02460	0.9
127.04023	1.2
131.03503	1.2
133.02951	5.2
134.03764	0.6
135.04530	13.6
136.04817	0.7
137.02473	0.5
139.00398	2.3
140.01129	1.7
143.03513	2.1
149.04576	0.7
153.01955	1.6
154.02708	1.3
155.03493	4.1
161.02448	4.7
161.04593	2.1
173.04550	5.1
177.01895	0.7
179.03503	9.5
179.05618	7.7
191.05624	100.0
192.05972	3.1
255.10263	0.6
283.09778	2.5
298.12222	0.7
309.02948	0.5
311.09262	8.0
317.08835	5.2
325.11044	0.8
326.11615	6.2
340.42432	0.5
341.13983	9.6
342.13898	0.6
353.08792	36.6
354.09210	2.4
367.10345	1.7
395.09894	6.3
425.11139	1.0
455.11884	2.4
515.13965	0.8
521.12451	0.6
611.80493	0.5
637.88324	0.6
683.18262	7.4
683.29248	0.8
684.18561	0.8
699.61969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.08219	0.2
61.98836	100.0
69.42822	0.2
71.01408	0.4
71.56417	0.4
73.02968	0.2
83.05026	0.3
85.02985	0.6
89.02425	0.3
96.96024	1.9
101.02468	0.5
106.36462	0.2
113.02430	0.3
128.73309	0.2
149.06160	0.2
163.07658	0.3
191.05719	0.7
269.63876	0.2
301.71371	0.2
432.89648	0.3
541.97821	0.2
620.39215	0.3
622.39771	0.9
647.35077	0.3
682.36987	0.8
683.34625	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
61.98828	2.0
67.01913	1.2
71.01397	5.8
71.54631	1.1
71.54989	1.1
73.02960	2.1
77.03976	2.6
78.95917	3.1
83.05030	2.4
85.02969	3.9
87.00885	1.4
89.02468	3.4
92.65240	1.2
93.03464	14.2
95.05023	6.9
96.96021	28.7
96.96652	1.5
96.96978	2.9
97.02901	1.0
101.02450	4.3
101.03032	1.0
103.01405	1.0
105.03467	19.9
107.04998	1.2
108.41132	1.0
109.03017	1.8
111.04554	6.9
113.02460	2.7
116.92883	2.9
117.03517	1.2
121.02977	2.8
123.04520	2.7
127.04030	2.5
133.02968	100.0
134.03693	4.6
135.04538	87.1
136.01669	4.4
136.04865	1.3
137.02502	7.7
139.00383	4.9
140.01186	1.8
141.01981	1.3
143.18625	1.2
146.03751	1.8
151.03995	8.4
153.01927	5.7
154.02728	3.2
155.03477	8.6
158.86397	1.2
161.02451	35.5
163.03970	1.2
164.04700	1.1
166.02637	1.2
167.03540	1.3
173.04544	17.2
177.01942	44.8
178.02518	2.3
179.03505	81.0
179.07088	3.4
180.03908	2.6
181.05170	1.5
191.05611	43.0
192.05927	2.2
193.05109	1.1
197.04590	1.7
209.04680	1.6
254.58928	1.1
281.06726	3.7
317.08786	10.1
318.09381	1.2
335.07730	53.5
336.08157	2.3
353.08777	41.2
354.09207	2.3
357.13525	4.3
358.13791	5.0
359.14093	3.4
367.10309	2.6
395.09879	2.3
405.15338	1.4
455.12000	1.4
461.14505	10.5
462.14804	1.2
515.14185	4.3
521.13538	1.6
607.21790	1.3
683.18158	29.9
683.29358	1.7
684.18628	3.7
687.00360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67126	0.1
57.11819	0.1
61.98835	100.0
69.42949	0.9
76.96077	0.1
98.19854	0.1
122.12459	0.1
147.89105	0.1
172.71155	0.1
229.60663	0.1
270.66443	0.2
341.95837	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	681.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	31.5
64.13895	3.6
71.01393	23.2
71.56920	4.7
72.99338	3.7
73.02942	5.9
73.84783	2.7
78.95905	4.3
85.02960	5.6
89.02463	13.2
93.03442	5.3
95.01398	11.0
96.96021	15.9
97.06640	3.8
101.02457	7.9
109.02958	3.8
111.00878	6.8
113.02464	11.6
123.00896	8.4
125.02403	4.0
136.01659	6.1
137.02484	5.0
138.03233	7.0
139.00343	7.8
151.04073	7.9
153.01926	5.4
161.02437	4.6
161.04562	4.2
162.03310	5.6
165.02057	4.2
166.02669	4.3
173.04628	6.3
177.01915	4.2
177.05542	4.1
179.03441	5.0
179.05652	4.5
181.05099	6.6
191.03847	6.5
191.05653	22.2
192.04419	4.6
193.05092	9.8
203.03491	4.9
207.06586	4.8
218.05711	4.7
272.78058	3.7
315.05249	6.3
321.22531	3.6
358.10406	12.9
373.13013	34.5
374.13159	3.4
377.61111	3.5
385.27664	4.3
403.14377	17.7
418.12717	4.5
433.15051	100.0
434.15240	9.5
509.82654	3.3
623.16168	4.6
637.21411	73.2
637.31244	6.5
638.22076	8.4
649.24292	5.2
681.26392	5.9
681.38391	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	681.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16809	0.5
55.01866	2.1
57.03442	3.8
58.00599	1.2
59.01386	29.5
60.99298	1.3
61.50135	0.5
61.98837	3.7
67.01894	0.9
69.03474	0.7
69.38176	0.6
71.01389	48.8
71.56796	0.8
72.99310	2.6
73.02951	10.8
75.00871	1.1
78.95880	0.7
83.01390	5.3
83.05016	0.7
85.02956	23.7
86.00118	1.1
87.00883	3.0
87.04542	0.7
89.02460	15.7
89.03012	1.0
93.03476	3.2
95.01419	3.5
96.96018	3.9
97.02995	0.9
98.66528	0.6
99.00881	5.2
99.04526	0.6
101.02451	24.9
101.06062	1.2
102.02796	0.7
103.45687	0.6
109.02857	0.6
110.65302	0.5
111.04539	1.2
113.02465	20.8
116.92876	1.1
117.01173	0.7
119.03539	5.5
119.05013	4.0
127.03932	0.7
129.01923	1.1
131.03526	0.9
133.03012	0.9
135.04526	2.4
143.03465	1.8
151.00447	0.8
159.02992	2.5
161.02509	1.1
161.04564	13.0
163.04068	3.1
173.04536	2.6
179.03491	1.2
179.05573	2.5
191.03850	0.5
191.05615	13.2
192.05930	2.1
205.03581	0.6
207.25049	0.5
209.11847	1.2
214.59213	0.6
261.88638	0.6
439.32227	0.8
475.34201	1.7
501.31754	0.9
529.35156	0.7
643.36871	1.7
645.38245	2.3
681.38538	100.0
682.38910	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	679.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34195	0.9
59.01383	15.5
61.24871	1.0
61.98833	3.4
71.01388	3.3
85.02944	2.1
89.02433	3.8
93.03484	2.2
98.20630	3.5
101.02467	2.6
113.02467	1.3
121.25750	1.2
125.02449	1.7
127.06355	1.0
132.65753	1.0
143.83516	1.0
146.69067	1.0
147.63689	0.9
173.04597	3.3
186.37938	1.1
191.05658	2.4
227.72391	1.0
229.21812	1.2
235.35437	1.1
268.33749	1.3
273.74561	0.9
313.05286	1.0
405.98071	1.3
460.68900	1.2
505.33957	3.5
511.76215	1.1
601.37451	5.3
619.38519	100.0
620.38959	11.5
679.37823	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	680.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
83.68521	0.3
98.19833	0.8
98.77950	0.3
149.74673	0.3
172.43671	0.3
229.97505	0.6
270.18921	0.4
545.73254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57465	0.6
55.01880	0.7
57.97944	0.6
58.00598	1.7
58.11932	0.6
59.01388	29.9
61.98826	3.5
64.41956	0.5
69.03452	1.7
71.01390	33.2
71.54155	0.8
72.99317	2.8
73.02959	5.3
75.00874	1.0
78.95921	1.0
79.55953	0.5
80.96510	1.9
81.03461	1.4
83.01399	4.9
85.02959	7.7
87.00887	7.2
89.02454	28.5
95.01387	1.9
97.02960	5.1
99.00884	1.7
101.02452	26.3
109.02975	0.9
111.04525	1.4
112.01736	0.6
113.02468	11.0
115.04047	1.1
119.03518	9.2
121.02934	1.0
121.19185	0.6
124.01707	0.8
125.02457	10.7
127.04022	0.8
131.03517	1.5
138.62856	0.5
139.03946	0.8
142.89749	0.7
143.03534	5.0
149.04565	0.7
151.00385	1.3
161.04568	6.5
179.05589	5.3
184.15271	0.6
199.01329	0.6
199.06175	0.9
217.07123	1.4
221.06677	1.8
228.89400	0.7
235.08241	14.3
245.06508	0.7
253.09337	3.3
263.07654	1.1
277.09332	0.8
281.24872	100.0
282.25259	7.3
287.07816	2.4
305.08694	4.0
323.09900	1.2
361.11380	0.7
379.12546	1.0
397.13525	79.5
398.13889	5.5
415.14581	32.1
416.15146	1.1
440.50586	0.6
506.69946	0.8
515.71320	1.4
516.21448	0.8
524.72266	0.9
678.77435	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	679.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.8
57.03452	4.2
59.01382	10.9
60.99301	1.5
61.98844	3.2
66.26296	0.6
69.23318	4.0
69.23744	2.1
71.01390	15.0
71.05023	2.0
72.99319	4.2
73.02972	2.9
75.00880	13.9
83.01382	1.2
84.02167	0.6
85.02955	18.2
87.00887	4.2
89.02453	5.0
93.03458	1.5
95.01385	1.8
96.96007	2.8
99.00867	3.6
101.02467	3.7
101.06097	1.0
112.01662	0.7
113.02464	13.2
115.00390	1.1
116.01213	0.8
117.01968	2.2
117.05579	2.6
119.03513	1.0
125.02429	0.8
133.05002	0.9
137.02480	0.7
142.50046	0.7
151.00323	0.9
157.01375	1.1
161.04555	1.1
166.02635	1.1
173.04558	1.8
175.02502	0.8
181.05096	1.6
191.05612	2.6
270.18561	0.6
279.10953	2.2
337.25357	0.7
409.31235	1.4
417.15836	2.3
421.30963	1.2
439.31708	0.8
441.30154	0.8
473.32690	1.7
517.31042	1.3
614.91577	0.7
643.37256	1.3
679.37012	100.0
680.37323	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29943	1.7
57.03445	3.4
59.01383	8.5
61.98837	13.3
71.01390	12.1
72.99312	7.0
75.00882	19.0
83.01405	1.9
85.02959	20.1
87.00890	14.2
93.03488	3.4
93.17686	1.5
95.01380	2.2
100.29295	1.5
111.00881	4.3
113.02464	6.2
123.04506	1.5
135.04442	1.7
173.04634	2.4
191.02023	4.3
191.05656	10.2
221.85992	1.5
223.26067	1.5
244.25510	1.4
277.14352	1.6
329.15936	1.6
348.14359	1.9
351.57669	1.5
367.17712	6.2
369.19174	3.0
382.20135	2.8
383.20844	7.9
414.18866	3.5
521.26624	1.8
645.37366	2.0
646.37408	2.4
661.36633	2.3
679.37073	100.0
680.37518	16.1
692.11115	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	679.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03440	3.7
59.01380	9.3
61.98833	1.4
63.66668	0.8
71.01386	10.3
71.05035	1.5
71.55892	1.4
72.99314	2.7
73.02943	2.0
75.00881	15.2
83.01402	1.5
85.02956	18.7
87.00880	4.0
89.02457	3.3
93.03461	1.7
95.01396	2.1
96.96037	6.3
98.95632	0.9
99.00916	4.3
99.04513	1.2
101.02490	3.9
111.08150	1.3
112.01640	0.9
113.02457	12.3
115.00365	1.3
116.92871	1.4
119.03524	0.9
125.02415	1.0
135.04585	1.3
148.87648	0.8
155.07187	1.3
161.04659	1.3
173.04536	2.3
181.05072	1.1
183.10231	0.9
191.05597	4.9
233.08081	1.0
248.35240	0.9
311.10217	1.0
335.12326	1.5
485.32108	1.2
499.24945	2.7
543.21924	0.9
679.37067	100.0
680.26343	1.4
680.37451	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	679.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52190	0.3
55.01872	1.3
57.03449	4.4
57.44425	0.3
59.01385	4.4
61.98835	1.1
65.24232	0.4
67.01888	0.3
68.99825	0.5
69.03453	0.4
69.57555	1.6
71.01384	7.6
71.05030	0.4
72.99322	2.3
73.02950	1.5
75.00877	15.8
83.01419	0.6
85.02956	16.6
85.46753	0.4
86.03281	0.4
87.00891	3.1
89.02439	1.4
95.01392	1.9
96.96011	2.2
99.00892	3.6
101.02451	1.1
112.01637	0.6
113.02455	12.9
114.02814	0.5
115.00344	0.8
116.01192	0.9
117.01951	1.8
129.01897	1.0
133.05164	0.4
135.04439	0.5
151.66646	0.3
157.01408	0.9
161.02515	0.7
164.04288	0.3
166.02634	0.4
166.98486	0.4
173.04485	0.6
175.02536	0.8
177.01968	0.3
181.05127	1.0
184.66171	0.3
191.05670	0.8
256.09436	0.4
337.25247	0.5
351.27032	0.4
355.26349	0.3
417.15549	1.1
421.30435	0.5
429.26828	0.5
431.28098	2.0
437.29648	0.4
439.32379	1.5
441.33765	0.5
471.31442	0.5
485.32733	1.1
507.27087	0.4
585.34082	0.6
587.34668	0.4
641.37213	0.4
679.37018	100.0
680.37354	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	679.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02582	0.5
50.38173	0.5
55.01878	0.8
57.03451	5.6
58.00592	0.6
59.01382	4.1
61.98825	1.5
63.43794	0.4
67.01842	0.6
71.01392	6.2
71.05019	2.2
71.55991	0.8
72.99304	2.0
73.02948	1.7
75.00880	9.9
77.72537	0.5
78.95930	0.5
83.01380	0.7
85.02960	20.2
87.00883	2.6
89.02459	1.4
93.03458	1.2
95.01374	1.6
96.96014	3.9
99.00895	2.5
101.02444	2.0
112.01635	1.0
113.02460	12.9
115.00378	1.3
116.01147	1.8
116.92797	0.7
117.01972	0.6
119.03471	0.7
129.01894	0.8
130.25957	0.5
135.04506	0.8
137.02396	0.7
157.01477	0.9
158.67346	0.5
173.04515	1.3
175.02486	0.7
191.05603	2.2
215.62637	0.5
274.20111	0.5
355.26602	0.7
381.28027	0.8
385.27539	0.8
387.29227	0.7
431.28082	2.6
485.32669	1.3
503.33746	7.8
504.34192	1.1
537.78400	0.6
603.35376	1.4
604.35529	0.7
641.38751	0.7
679.37018	100.0
680.37311	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46471	0.4
55.01867	0.7
57.03206	0.5
57.03456	5.3
59.01380	4.1
62.58813	0.4
67.01868	0.4
69.28277	3.0
69.28690	0.9
71.01389	7.4
71.05009	1.4
72.99305	1.8
73.02943	1.0
75.00877	15.7
76.60210	0.5
83.01393	0.7
85.02963	17.6
87.00881	3.0
89.02454	0.9
92.61412	0.5
95.01402	1.5
96.96017	3.0
99.00864	2.9
101.02399	0.6
110.92295	0.4
112.01662	0.8
113.01732	0.8
113.02465	11.1
114.49641	0.4
115.00381	0.5
116.01168	1.3
117.01900	0.8
129.01964	0.8
152.48749	0.4
157.01440	0.6
166.57001	0.4
174.01822	0.5
175.02364	0.5
179.05479	0.4
191.38264	0.5
193.40279	0.5
351.26776	0.6
373.13190	0.6
455.31906	0.8
471.31323	0.7
503.33914	5.4
504.34207	0.6
603.35516	1.4
626.37860	0.5
669.93420	0.6
679.37018	100.0
680.37427	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	679.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03449	2.7
59.01095	0.6
59.01379	4.3
61.98826	0.6
65.59535	0.3
67.01897	0.4
68.99823	0.4
71.01385	5.8
72.99319	1.8
73.02952	0.9
75.00877	12.8
83.01418	0.5
85.02953	17.7
86.03262	0.3
87.00886	2.4
88.01165	0.3
89.02457	1.3
95.01394	1.5
96.96040	0.5
98.19879	1.0
99.00887	2.6
101.02445	0.5
112.01680	0.5
112.96127	0.3
113.02458	12.6
113.28084	0.3
115.00373	1.4
115.41467	0.3
116.01161	1.4
117.01929	1.0
129.01968	0.6
157.01390	1.2
173.52609	0.3
175.02518	0.7
191.05569	1.2
229.59019	0.4
301.62134	0.3
414.56772	0.3
425.30753	0.4
441.29926	0.6
453.30066	1.6
455.31552	0.4
469.29361	0.4
471.31183	5.7
472.31467	0.7
483.31366	0.5
485.33017	1.6
501.32190	3.3
503.33746	4.8
504.34106	1.0
599.08893	0.3
603.34747	0.5
679.36969	100.0
680.37274	16.8
680.49176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36308	4.2
59.01377	16.1
61.98837	43.0
70.57938	4.4
83.28165	3.9
85.02977	5.9
88.90466	4.3
98.20672	11.8
103.70569	4.4
128.92726	4.1
178.82326	4.1
191.05627	10.3
197.11861	81.3
198.12198	5.9
209.11853	100.0
210.11993	4.6
227.12912	26.5
235.08267	6.6
253.09242	12.2
283.41357	4.2
433.20819	8.0
445.20923	11.6
574.31329	5.1
619.38599	80.2
620.38599	9.5
641.21899	5.8
679.30109	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.1
61.98838	2.8
75.00872	0.7
78.95867	0.5
79.95741	1.5
80.96511	1.2
85.02958	0.6
92.72965	0.4
93.13702	0.5
96.96021	35.5
101.02464	0.7
113.02377	0.5
118.39613	0.5
121.02914	0.4
163.07634	2.5
167.37805	0.5
174.08325	0.6
185.32875	0.5
189.59578	0.5
191.05672	0.7
475.34537	0.8
633.40790	0.5
679.31537	100.0
680.31879	20.2
709.67767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01371	6.0
61.51722	1.3
61.98826	10.6
68.98870	1.4
71.01393	9.5
71.04983	1.3
71.55127	2.2
72.99319	6.4
73.02938	1.7
75.00878	16.6
83.01382	2.0
85.02955	21.3
87.00896	7.1
93.03450	1.3
95.01341	1.4
99.00885	2.5
101.02446	1.3
111.00890	3.9
113.02458	6.2
117.01992	1.4
123.04623	1.3
123.13155	1.4
125.02466	1.8
138.22673	1.4
142.08456	1.3
151.00278	1.5
158.81956	1.5
173.04530	1.6
191.01982	4.7
191.05630	8.4
229.77304	1.6
279.15909	1.7
338.04596	1.4
367.17566	5.5
369.19055	1.8
382.19836	2.4
383.20505	7.8
414.18860	3.2
416.20395	1.5
546.27698	2.4
645.36133	1.7
646.37451	2.7
661.36932	1.9
679.37006	100.0
680.37543	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	677.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	0.3
59.01374	0.6
61.98831	0.2
64.75232	0.1
66.03461	0.1
69.39326	1.0
71.01371	0.5
75.00888	0.7
77.34079	0.2
80.05081	0.2
81.03466	7.8
83.05035	17.9
84.05354	0.3
85.02950	0.6
86.79955	0.1
87.00879	0.3
89.02464	0.2
95.01398	0.2
96.96007	0.6
99.00832	0.2
100.07684	0.4
101.02424	0.2
107.06175	0.3
108.04556	0.4
111.90523	0.1
113.02448	0.3
123.00924	0.2
125.02419	0.2
125.07213	1.3
126.05634	0.4
137.02444	0.5
138.03168	0.2
143.08246	0.5
153.05565	0.4
157.13429	0.2
165.01883	0.4
168.04303	0.4
168.66695	0.1
173.04550	0.2
176.01154	0.2
177.01949	0.2
179.03505	0.3
191.05603	0.4
192.04295	0.4
193.01501	0.2
193.04944	0.2
195.06570	0.3
207.06641	0.5
207.15018	1.5
208.03722	0.4
212.06891	0.2
223.06239	0.7
224.17680	2.8
225.16095	12.9
226.16354	0.6
227.09294	0.4
242.18755	0.8
246.44136	0.1
250.15642	0.3
268.16489	0.2
291.20709	0.2
309.21945	0.7
324.26569	0.5
333.22940	1.0
341.29257	1.0
351.24026	0.3
367.27130	1.1
385.28302	0.2
390.31708	0.2
407.33609	0.3
433.31729	1.3
449.14264	0.4
450.34436	1.3
451.32941	6.4
452.33356	0.6
505.30829	0.2
550.43573	0.9
559.39758	0.5
565.44336	0.3
593.43732	0.5
634.18866	0.2
659.48657	1.5
660.48798	0.3
677.49707	100.0
678.50018	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	678.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.62494	0.3
61.98836	100.0
75.00874	2.4
78.75150	0.4
78.95907	0.6
85.02970	0.9
96.96083	0.5
108.74100	0.4
113.02452	0.6
129.78217	0.4
135.72911	0.3
140.97224	0.4
161.06149	0.4
353.62344	0.4
437.30692	0.4
439.32315	1.4
465.19766	0.3
472.35812	0.5
565.82324	0.4
611.06818	0.5
615.35400	11.5
616.35876	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	677.4269
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
53.06771	0.4
53.94586	0.4
57.86484	0.4
59.01385	32.4
59.52522	0.4
59.94124	0.4
61.98832	0.9
69.98461	0.4
70.08893	1.9
71.01384	0.6
73.00467	0.3
78.95890	1.0
89.02468	0.6
93.41273	0.4
96.96027	0.9
101.02452	0.5
111.57304	0.4
112.86286	0.4
119.03470	0.7
160.84201	0.5
171.98933	0.4
455.35315	100.0
456.29147	0.7
456.35648	12.2
617.40918	1.2
677.42871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03447	0.8
58.00600	1.4
59.01386	38.4
61.98840	1.3
66.54116	0.6
69.03448	2.3
71.01388	38.4
72.99310	2.4
73.02952	6.8
74.84167	0.7
75.00862	1.2
78.95892	2.4
81.03457	1.5
83.01381	4.5
85.02966	9.7
86.10893	0.6
87.00887	9.6
89.02452	33.2
95.01377	2.3
96.79624	0.6
97.02962	6.7
99.00884	2.3
101.02449	28.0
107.01400	1.1
109.02945	0.8
111.04536	0.8
113.01720	1.2
113.02457	14.5
119.03512	11.3
125.02459	12.9
127.04003	1.0
131.03468	1.8
133.05009	1.0
139.03966	0.8
142.80360	0.6
143.03499	6.7
147.84546	0.7
149.04590	0.7
151.00359	2.3
159.21242	0.6
161.04579	7.5
178.99886	2.0
179.05643	6.9
194.77286	0.9
217.07059	0.9
221.06644	2.2
235.08240	15.9
236.08681	1.0
245.06906	0.8
253.09244	2.4
263.07761	1.1
277.09357	1.4
277.21692	1.0
279.23303	100.0
280.23636	7.5
287.07800	3.2
305.08771	4.6
323.09799	1.8
379.12460	1.2
397.13525	85.5
398.13696	5.1
400.62555	0.7
401.12585	0.7
409.12866	1.5
409.63644	0.9
415.14581	32.4
416.15027	1.4
519.32178	0.9
527.68146	1.1
657.78613	2.7
658.29871	0.8
658.79211	1.5
677.37866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85962	0.5
53.18193	0.4
55.01895	2.3
57.03440	1.7
57.04969	0.5
58.00607	2.1
59.01385	50.0
61.98830	0.8
68.99806	0.5
69.03467	2.6
70.65536	0.5
70.65884	1.3
71.01389	42.6
72.99315	3.8
73.02956	7.3
75.00883	1.0
78.95911	8.6
81.03453	1.6
82.20831	0.4
83.01395	4.2
83.05018	0.9
85.02956	8.7
87.00883	10.9
87.04531	0.6
89.02453	39.3
90.02789	0.6
91.03991	1.0
93.03464	0.8
95.01394	3.2
96.95989	0.8
96.96950	0.5
97.02962	6.9
99.00893	3.1
99.04485	0.9
101.02455	34.7
103.03992	0.5
109.02946	0.9
111.00853	1.3
111.04554	0.9
113.02464	17.1
113.09719	0.5
115.03983	1.0
119.03514	13.0
121.02985	0.8
124.01662	0.8
125.02469	14.8
131.03503	1.9
133.05061	1.1
134.27176	0.5
134.42941	0.4
137.02490	0.6
139.04008	0.8
141.01941	0.9
143.03520	7.1
149.04591	1.0
152.99593	3.3
161.04579	9.1
167.03418	0.7
169.05139	0.5
177.05583	0.7
179.05620	7.8
185.04619	0.8
187.90616	0.4
199.06215	0.6
201.11357	0.8
203.05646	1.0
209.11896	1.0
217.07169	1.9
219.05110	0.5
221.06654	3.0
235.08234	16.6
236.08655	0.5
236.47446	0.6
245.06740	1.1
253.09306	4.6
259.20639	0.6
263.07718	1.5
277.09317	1.4
277.21738	100.0
278.22089	7.1
287.07758	3.5
291.23364	0.5
293.21249	2.1
305.08859	4.7
323.09903	2.2
361.11426	0.9
379.12442	1.4
397.13525	87.8
398.13803	4.1
415.14587	39.2
416.14920	2.1
429.20456	0.9
578.27203	0.5
657.34344	1.3
675.34888	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	677.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76439	2.7
59.01380	13.2
69.76181	14.7
71.01393	9.5
85.02975	8.9
87.00897	3.4
89.02457	10.9
93.03480	5.1
94.30057	2.8
96.96012	25.3
101.02440	5.6
111.04488	3.3
119.03496	6.3
133.02942	3.3
134.03770	6.7
135.04550	36.6
173.04549	13.9
179.03517	36.2
182.11783	2.9
191.05615	100.0
192.05934	3.9
195.06567	3.0
239.52919	2.6
323.13516	47.2
324.13950	2.9
353.08759	56.3
354.09235	4.9
677.19519	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	677.3547
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01876	1.5
57.03461	4.9
59.01382	11.5
61.71277	1.0
61.98837	2.0
68.99846	1.1
69.94373	4.8
71.01392	16.8
72.87020	1.0
72.99309	4.2
73.02965	2.5
74.10011	0.9
75.00880	34.3
83.01383	1.8
85.02961	32.5
87.00880	8.7
89.02476	2.1
95.01378	4.9
96.96048	1.5
99.00881	7.9
101.02454	1.4
113.02460	30.5
114.18745	1.0
115.00378	3.4
116.01169	2.9
117.01939	3.2
123.54339	0.9
129.01942	1.6
157.01405	2.1
163.07669	2.1
175.02496	2.8
191.05566	2.4
194.66823	0.9
409.27170	2.3
423.29184	1.8
425.30655	2.7
437.30600	13.5
438.30927	2.1
453.29828	1.2
455.31705	21.8
456.31860	2.0
473.32718	6.4
474.32773	1.1
513.32831	1.1
569.34436	2.8
631.34912	83.4
632.35315	12.3
646.13031	1.1
649.35931	31.2
650.36292	4.0
677.35413	100.0
678.35907	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
57.03455	1.3
58.00595	2.9
59.01384	47.8
60.01719	0.3
61.98836	0.4
62.22378	0.2
67.01909	0.4
68.99830	0.8
69.03461	2.6
71.01386	43.4
72.01701	0.4
72.99313	3.4
73.02953	7.4
75.00883	1.1
78.95909	3.4
81.03468	1.9
83.01391	4.5
83.05029	0.7
84.02220	0.2
85.02956	9.5
86.00124	0.5
87.00880	8.9
87.04525	0.4
88.12267	0.2
89.02452	36.4
91.04028	0.8
93.03460	0.6
95.01390	3.6
95.05025	0.3
96.96970	0.3
97.02958	7.6
99.00884	2.4
99.04512	0.5
101.02451	33.5
102.02798	0.5
103.00354	0.3
103.04028	0.5
109.02973	0.8
111.00916	0.6
111.04527	1.1
113.02458	16.5
114.02838	0.3
115.04015	1.0
119.03511	10.5
121.02979	1.0
123.00911	0.6
123.04497	0.5
123.73734	0.2
124.01707	0.4
125.02455	14.0
126.02850	0.2
127.04028	0.7
127.07658	0.3
129.01880	0.3
131.03537	1.9
133.05072	1.2
135.04620	0.3
137.02504	0.4
139.04015	1.2
141.01974	0.6
143.03508	6.0
149.02560	0.4
149.04587	1.4
151.04002	0.3
152.99608	1.6
155.03549	0.2
157.05090	0.3
161.04561	7.8
167.03520	0.9
169.05154	0.5
171.03085	0.4
179.05626	7.2
181.05054	0.3
185.04584	1.0
191.05589	0.3
199.06157	0.8
201.11395	0.3
203.05637	0.4
209.11880	0.7
217.07213	0.8
218.07751	0.2
219.05106	0.5
221.06631	2.8
225.11491	0.3
233.22731	0.5
235.08232	15.5
236.08514	0.6
245.06700	0.9
253.09303	3.8
259.20630	0.6
263.07669	1.7
275.20023	0.7
277.09622	1.2
277.21722	100.0
278.22055	6.3
287.07745	3.3
291.23340	0.3
295.22711	0.6
305.08777	4.8
314.24310	0.2
323.09793	1.6
361.11368	0.9
379.12354	1.1
397.13507	84.0
398.13803	4.6
408.51932	0.2
415.14575	35.0
416.14914	1.9
675.35101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90340	0.9
59.01378	4.4
61.98850	6.8
65.95956	1.1
71.55434	1.1
78.95914	100.0
80.02687	1.6
81.03468	1.2
83.05041	3.6
84.70387	1.0
95.05019	1.1
96.96008	2.0
96.96982	10.3
105.63238	1.1
107.01339	0.9
113.09726	2.8
139.04202	1.1
142.22798	1.3
151.00377	2.0
151.11301	0.9
152.99605	68.4
163.11272	4.0
165.12801	1.4
171.00638	1.1
179.14459	1.5
191.10722	1.3
195.13896	4.2
207.10278	4.2
209.11852	53.0
210.12177	2.6
223.13411	7.5
225.11310	3.6
227.12932	8.9
277.21686	1.9
293.21240	21.7
294.21490	2.0
295.22778	5.9
361.10648	2.6
363.12173	20.1
381.13135	5.5
429.20447	3.6
431.21979	1.6
447.21353	2.8
449.22766	1.5
471.34558	1.0
559.26624	1.7
575.71362	1.0
587.26245	8.8
588.26025	1.4
657.33813	3.5
668.01617	1.2
675.34241	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83171	0.5
52.34139	0.4
59.01382	3.0
60.99308	1.0
61.98833	2.5
67.01896	2.1
68.47651	0.5
71.01379	3.9
73.02943	0.7
78.45488	0.5
78.52340	0.5
78.95906	1.9
81.03445	0.8
83.05038	0.9
85.02959	10.1
87.00880	6.3
88.98817	3.5
89.02463	1.0
93.03468	15.7
94.03804	0.5
96.96020	12.4
96.96955	2.8
101.02469	0.9
108.02091	0.5
109.02964	1.5
111.04508	3.6
113.02444	0.7
115.00371	2.1
119.05071	1.6
121.02979	1.6
125.02456	0.7
127.04051	2.6
133.02980	0.6
135.04532	0.7
137.02448	0.9
143.05035	0.8
161.02455	0.7
163.03992	1.1
166.02733	0.5
171.03033	0.8
173.04553	8.6
181.05118	0.6
191.05624	100.0
192.06024	3.2
209.04480	0.9
211.07692	3.3
229.44185	0.5
250.71262	0.5
265.08658	3.0
266.58041	0.5
289.05649	1.1
293.80646	0.6
309.07645	0.7
313.03436	1.2
327.08713	5.6
328.09256	0.6
337.09338	3.7
367.10385	0.7
370.48624	0.5
391.13849	0.6
463.10931	1.9
477.14096	1.1
483.13110	1.7
501.14240	1.5
639.15723	0.7
675.19342	41.6
676.19812	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	675.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.8
61.98840	5.0
64.79044	1.3
71.01349	1.1
78.95912	100.0
83.05037	2.5
96.96059	2.4
96.96970	9.9
109.06583	1.7
113.09745	3.4
119.05025	7.3
132.62843	1.0
134.98509	1.9
151.00403	1.2
152.99599	64.4
153.55025	1.1
163.04066	9.3
163.11249	1.8
171.00668	2.1
191.05643	1.7
195.13925	4.3
205.12259	1.6
207.10239	1.9
209.11838	29.6
210.12236	1.3
223.13376	13.4
225.11278	1.9
227.12906	5.6
269.74927	1.1
277.21848	1.9
293.21234	35.6
294.21457	2.7
295.22836	9.8
322.36969	1.2
363.12292	5.8
381.13275	1.5
394.83463	1.2
410.09406	1.4
410.60956	1.3
429.20657	9.5
431.21957	2.8
447.21515	4.2
453.33661	9.3
454.33875	1.6
511.29526	4.5
559.26788	1.7
587.26581	10.4
588.26569	2.1
617.38568	2.1
657.33905	4.7
675.34277	22.2
676.35114	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	675.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75920	0.2
57.03442	0.2
59.01380	2.6
61.98841	0.4
63.53093	0.2
67.01888	0.8
69.03486	0.2
71.01385	1.5
73.02951	0.3
79.95741	0.2
80.46331	0.2
81.03459	0.4
83.05027	0.5
85.02953	9.7
87.00884	2.6
89.02460	0.6
93.03461	6.2
94.03839	0.2
96.96017	7.5
98.95580	0.2
99.00913	0.2
99.04507	0.4
101.02483	0.3
109.02969	1.1
111.04525	1.7
113.02463	0.2
115.00406	0.2
119.05035	1.8
120.25237	0.2
121.02936	0.2
125.02472	0.2
127.04024	2.0
133.02953	0.2
135.04536	0.2
137.02438	1.0
143.03677	0.2
143.05032	0.6
153.21135	0.2
155.03529	0.7
161.02524	0.3
163.03979	1.3
165.01952	1.6
171.03000	0.6
173.04552	5.4
179.03468	1.0
180.04291	1.1
181.46213	0.2
191.05618	100.0
192.05972	3.2
193.95229	0.2
194.05814	0.2
195.06627	1.6
210.05350	0.3
211.07672	1.6
212.06819	0.3
223.06163	0.4
223.11369	0.2
225.07629	1.2
227.09254	0.8
237.09145	0.3
265.08725	0.9
289.05457	0.3
309.07574	0.3
313.03540	0.6
315.05075	0.4
315.08740	0.2
327.08707	3.0
334.52103	0.2
337.09055	0.3
339.04996	0.3
405.15485	1.6
430.94385	0.2
435.16376	0.2
452.07413	0.2
453.17654	2.5
454.18085	0.2
458.60040	0.2
477.10178	0.5
483.13077	0.6
501.14044	1.8
502.14438	0.3
639.15820	0.4
675.19275	10.2
676.19592	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45512	0.3
59.01382	1.4
60.99297	0.5
67.01897	1.4
69.40664	1.8
69.41074	0.8
71.01389	1.5
81.03494	0.8
83.05030	0.8
85.02958	11.6
87.00883	4.3
93.03464	10.6
93.04028	0.7
94.03852	0.4
96.93655	0.4
99.04547	0.5
101.98671	0.4
109.02952	1.0
111.04523	2.6
113.77203	0.4
119.05053	2.0
121.76705	0.4
123.13323	0.4
127.04015	2.9
130.90417	0.4
137.02492	0.8
143.05055	0.6
153.02101	0.3
155.03545	0.9
163.04039	1.2
171.02985	0.9
173.04543	5.1
191.05630	100.0
192.05978	3.4
196.25981	0.3
211.07646	2.4
231.07927	0.3
231.22922	0.4
237.09294	0.5
265.08694	1.1
289.05710	0.5
309.07938	0.5
327.08780	3.4
367.94839	0.4
483.12875	1.0
501.14343	0.4
675.19330	36.8
676.19788	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46872	0.2
57.03442	0.2
59.01105	0.2
59.01385	1.8
60.99314	0.2
61.98825	0.4
67.01905	0.8
69.03472	0.3
71.01377	1.1
71.07066	0.3
73.02958	0.4
78.95921	0.2
81.03454	0.5
83.05024	0.6
85.02955	9.6
87.00878	2.5
88.98792	0.2
89.02501	0.2
91.98410	0.1
93.03466	6.3
95.01423	0.2
96.96004	0.7
97.28776	0.2
99.04511	0.4
101.02409	0.2
108.02184	0.2
109.03017	1.0
111.04539	1.6
113.02501	0.2
119.05029	1.7
125.02438	0.2
127.04014	2.3
129.01973	0.2
135.04575	0.2
137.02437	0.5
143.05016	0.3
145.02940	0.2
153.01845	0.2
155.03494	0.5
163.04041	1.6
165.01942	0.5
171.02991	0.6
171.04309	0.1
173.04556	3.1
179.03543	0.3
180.04254	0.3
191.05620	100.0
192.05975	2.7
195.06586	0.6
200.19754	0.2
211.07574	0.8
223.06108	0.3
225.07680	0.4
233.17932	0.2
265.08765	0.3
289.12250	0.2
309.07581	0.2
327.08734	1.5
337.09171	0.6
418.63928	0.2
453.17767	0.4
483.12814	0.6
501.14154	1.4
675.19250	13.4
676.19568	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	673.381
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
53.81700	0.6
57.03429	0.8
59.01386	4.8
60.71572	0.5
61.98842	2.7
71.01392	2.0
73.02946	0.7
78.18436	0.6
83.05022	0.7
83.05964	0.5
85.02953	1.4
87.00874	1.3
89.02464	1.4
96.96025	1.1
99.04531	0.8
101.02461	1.3
111.04557	0.9
111.08186	0.8
113.02467	0.9
119.03493	0.8
121.06590	1.4
122.03770	1.3
123.08195	0.9
125.06054	0.5
129.17747	0.4
135.04555	2.4
136.05318	35.9
137.02400	0.6
137.05775	1.0
137.09778	0.6
147.08163	0.8
148.05276	1.0
149.06099	6.7
149.09752	1.0
150.06876	2.9
153.09250	0.8
155.10782	0.7
162.06874	1.3
163.07700	1.4
164.08444	3.5
165.09219	27.9
166.09538	1.0
179.05576	0.7
191.05630	1.6
209.11876	4.7
227.12909	0.9
261.18692	0.8
345.22858	6.5
381.07578	0.5
444.80054	0.5
447.31104	1.5
450.29807	1.5
465.32224	11.8
466.32516	1.1
492.30991	0.9
493.32068	2.3
510.31461	2.6
511.32761	28.1
512.33228	2.8
673.38086	100.0
674.38428	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	673.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23750	0.6
57.03448	0.7
59.01384	11.7
61.98826	2.5
71.01395	6.8
71.05006	0.9
71.56929	0.8
72.99311	1.0
73.02943	1.9
81.03483	1.2
83.01342	1.2
83.05029	4.2
83.85018	0.6
84.02145	0.9
85.02945	3.0
87.00870	1.2
89.02476	3.3
93.03453	3.6
95.05022	1.0
95.15239	0.7
96.96041	1.5
99.00925	1.0
101.02434	5.7
106.06594	1.2
108.04516	1.0
109.06603	2.1
113.02449	1.9
119.03500	1.8
125.02457	1.2
125.09743	0.7
135.04521	2.0
135.08197	1.1
151.07637	1.4
152.67068	0.8
161.04552	1.9
163.11258	4.3
165.12854	2.4
171.10243	1.7
173.04570	4.5
191.05722	4.0
191.10727	1.5
199.13359	3.1
201.11366	1.2
207.10324	1.8
209.11842	100.0
210.12151	7.0
225.11168	1.7
227.12935	17.4
235.08284	2.8
247.13383	0.8
253.09258	5.7
257.12921	1.2
301.34213	0.8
313.23880	1.0
341.10995	1.1
366.20828	0.8
413.32257	0.8
445.20578	1.4
456.68631	0.7
463.21399	1.3
467.33945	1.2
499.29358	1.1
511.32471	2.3
512.33081	1.0
531.72742	0.9
597.23938	3.0
629.39288	3.3
637.31775	1.5
641.22723	0.9
655.31946	1.6
673.37891	14.7
674.36932	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	673.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07550	2.5
59.01391	21.0
61.98820	6.4
70.31494	7.8
71.01395	16.2
73.02946	4.2
74.22318	2.5
74.54728	2.6
76.28142	2.2
83.05046	6.4
84.65472	2.1
85.02940	7.9
89.02421	8.3
92.56126	2.8
96.96003	2.7
101.02478	12.4
113.02436	7.4
125.02428	9.6
135.04524	6.7
135.08070	3.8
151.00391	3.0
161.04572	3.2
163.11244	3.1
173.04578	2.4
179.07106	2.6
191.05559	4.7
199.13348	8.5
209.11841	81.5
210.12175	5.1
227.12929	35.3
253.09337	4.6
463.21893	4.3
505.33612	7.2
506.35083	2.6
629.35309	5.0
637.38245	66.7
638.37939	7.1
655.34271	2.8
673.35699	100.0
674.35590	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	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10992	0.1
55.01877	0.3
57.03448	0.2
58.00602	0.1
59.01387	2.3
61.98828	0.1
64.39809	0.1
69.03470	0.2
71.01392	2.2
71.05025	0.2
72.99302	0.2
73.02966	0.4
80.02690	1.1
81.03474	1.2
83.01392	0.4
83.05032	4.4
84.02177	0.8
85.02961	0.6
87.00884	0.4
89.02449	1.3
93.03474	0.3
95.01376	0.2
95.05032	0.6
95.99413	0.1
97.02948	0.1
97.06612	0.2
98.19868	0.2
101.02447	1.9
109.06615	0.3
111.08172	0.2
113.02461	1.1
119.03514	0.4
123.08191	0.2
125.02492	0.1
125.06094	0.4
125.09708	0.3
135.08202	0.6
143.03499	0.1
145.05060	0.2
147.11772	0.2
149.09721	0.2
150.06857	0.3
161.04591	0.6
163.11316	3.7
164.11584	0.2
165.12865	2.1
166.13258	0.1
171.10286	2.2
177.12733	0.1
179.05592	0.2
179.10797	0.2
181.12378	0.5
191.10793	1.1
199.13414	0.2
207.10245	0.1
209.11844	100.0
210.12178	5.3
211.13470	0.1
221.11893	0.3
223.13228	0.1
225.11436	0.1
227.12904	13.5
228.13231	0.7
235.08234	1.8
237.20258	0.1
247.13405	1.3
249.14995	0.2
251.12895	0.1
253.09323	5.6
254.09662	0.2
265.14423	0.3
309.71335	0.1
316.48068	0.1
373.24152	0.1
375.21606	0.2
401.23337	0.3
419.24194	0.3
437.25604	0.1
445.20953	0.7
455.26224	0.1
463.21649	0.2
467.33578	0.1
483.22665	0.2
493.27945	0.3
611.30511	0.2
629.39142	0.2
637.31805	0.7
638.32678	0.2
655.33545	0.3
673.39532	0.9
674.37744	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	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.2
59.01385	2.6
63.64983	0.2
65.72202	0.2
71.01389	3.0
73.02949	0.6
80.02670	0.8
81.03458	1.1
83.01392	0.4
83.05035	4.5
84.02161	0.7
85.02964	0.7
89.02441	1.1
93.03455	0.3
95.01343	0.2
95.05026	0.8
96.08073	0.2
97.06559	0.2
101.02439	1.9
109.06580	0.4
113.02462	0.9
119.03496	0.4
125.02448	0.3
125.06081	0.6
125.09692	0.3
127.04026	0.3
135.08173	0.7
147.11821	0.2
161.04556	0.6
163.11301	3.4
165.12837	2.0
171.10291	2.3
173.04552	0.3
179.05559	0.3
181.12289	0.9
191.05591	0.7
191.10797	1.0
209.11835	100.0
210.12177	5.7
220.52242	0.2
227.12897	13.6
228.13193	0.8
229.21477	0.2
235.08212	1.6
247.13454	1.1
253.09309	5.9
265.14490	0.4
357.21414	0.3
401.23657	0.3
406.19022	0.2
419.25012	0.2
445.20898	0.8
492.56906	0.2
637.32416	0.7
655.33563	0.4
673.37195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
59.01390	3.7
60.39799	0.4
71.01390	2.9
73.02966	0.5
74.82385	0.5
74.99085	0.5
80.02683	1.3
81.03478	1.4
83.05044	4.6
84.02186	0.7
85.02956	1.1
87.00906	0.7
89.02451	2.1
95.05049	0.7
97.06594	0.7
98.20762	1.0
101.02462	2.8
109.02971	0.5
109.06600	0.8
113.02457	1.0
115.21690	0.4
125.02408	0.8
125.06065	0.7
125.09753	1.3
127.04088	0.6
131.50710	0.5
137.09639	0.5
147.11766	0.5
161.04532	1.2
163.11267	3.0
165.12871	2.0
171.10291	2.2
173.04562	0.7
181.12254	0.8
181.98073	0.5
185.51801	0.5
187.09764	1.2
191.05630	0.9
191.10719	1.0
209.11844	100.0
210.12163	4.8
226.69226	0.5
227.12891	13.1
228.13159	0.9
230.35014	0.7
235.08220	1.4
238.59247	0.5
247.13422	1.2
253.09312	6.8
275.12042	0.5
304.12433	0.5
357.13391	0.6
445.21054	1.0
501.31177	0.5
541.88251	0.5
629.35120	0.7
637.32312	0.6
673.35608	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	672.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98839	5.6
63.02384	1.1
71.01395	5.0
71.97887	1.1
72.99294	1.3
73.02950	1.2
83.01387	1.5
85.02948	3.7
88.98803	1.4
89.02451	2.1
93.03472	4.2
96.29625	1.2
96.96012	6.7
98.20654	3.2
101.02464	3.3
107.01386	2.2
108.02193	1.8
113.02451	2.5
116.92878	1.8
121.02966	2.8
121.11983	1.2
123.04530	1.2
129.27817	1.2
135.04539	1.9
135.23845	1.3
137.02464	3.2
142.03175	1.2
151.00371	11.4
163.00394	2.2
173.04565	3.2
178.99843	3.3
179.03532	1.9
191.05588	12.5
192.05872	1.6
193.04982	2.5
223.06006	1.4
232.61719	1.6
243.02942	5.5
254.02034	2.0
255.02969	21.1
271.02496	42.3
272.02988	3.5
283.02661	1.4
299.01889	1.9
300.02768	81.8
301.03452	29.4
396.88895	1.3
568.32312	1.7
609.14636	100.0
610.14899	10.3
671.34265	8.6
672.35571	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.88930	0.9
57.03442	1.4
57.94087	0.7
59.01388	14.1
61.98846	4.3
65.65844	0.7
65.71550	0.8
69.03468	1.2
71.01395	9.5
71.05031	0.8
72.99306	0.8
73.02956	2.0
74.99122	0.8
80.02682	0.8
81.03465	1.6
83.01387	1.7
83.05032	4.4
85.02934	4.7
87.00873	2.4
89.02455	5.5
93.03450	2.2
95.05051	1.6
97.02945	3.3
97.06604	0.8
98.19908	2.6
99.00905	1.5
99.04517	2.3
101.02460	7.7
109.06628	10.4
110.03707	1.0
111.04503	1.1
113.02460	2.9
113.06069	0.8
119.03448	1.2
121.02944	2.2
121.06595	0.8
123.00906	0.8
123.04597	1.2
123.08053	1.0
125.06043	1.0
125.09745	1.5
135.08138	3.1
136.05328	1.8
136.98531	0.8
137.02428	1.4
137.91177	1.0
142.02747	1.0
149.06113	5.8
150.06886	38.3
151.07518	2.5
153.12854	0.8
155.10773	0.8
157.46490	0.8
161.04593	1.9
161.09717	2.0
162.06860	1.7
163.07674	11.5
163.11302	10.3
164.08443	6.0
165.05569	1.0
165.12822	1.6
171.10237	2.4
173.04575	2.7
173.05963	0.9
176.08443	1.5
177.09180	1.0
178.09961	3.5
179.05672	1.3
179.07193	1.1
179.10785	11.0
181.12337	2.2
185.11861	1.7
189.09117	0.9
191.05630	6.2
199.13339	1.1
201.11371	1.2
207.10291	29.0
208.10553	1.1
209.11847	55.5
210.12222	1.8
225.11337	32.5
226.11656	1.3
227.12859	9.0
235.08179	2.8
253.09338	6.4
263.12915	1.0
327.25436	0.9
329.23370	4.0
372.45459	0.8
376.15247	1.0
391.24805	1.1
399.21725	3.3
417.22757	3.3
443.19177	2.3
445.33044	1.7
448.31961	8.2
461.20251	7.9
463.34363	9.7
490.33160	2.5
491.33768	3.1
506.48306	0.9
508.34073	2.0
509.35010	27.3
510.35132	3.6
627.37189	3.0
635.30682	5.4
653.31604	9.7
671.40747	100.0
672.41309	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	671.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19425	1.9
59.01385	8.7
61.98825	5.1
69.80214	9.8
72.99315	2.0
78.95906	16.9
96.96024	3.7
109.06586	4.5
119.05051	9.8
121.02966	100.0
126.55088	1.8
135.04576	9.6
152.99619	9.6
159.10143	2.6
163.04025	13.0
181.05075	77.3
207.10179	4.0
209.11768	4.3
225.11179	2.9
231.12491	1.9
361.10556	3.2
453.33789	18.7
635.39581	73.3
636.39984	10.2
671.32269	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	671.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.3
61.98819	1.9
69.58025	6.5
71.01402	1.0
72.99300	1.1
73.69635	0.9
77.37630	1.0
78.95900	6.3
80.22810	0.9
83.05022	1.3
96.96008	3.7
98.19984	1.2
119.05056	6.1
121.02967	100.0
122.03282	3.4
135.04556	3.2
152.99591	2.4
163.03970	3.7
181.05081	61.2
182.05428	2.2
191.05635	2.0
195.53169	0.9
207.10197	1.4
209.11818	1.6
225.11317	1.8
311.01248	1.1
412.11441	1.2
453.33780	18.5
454.33987	3.4
499.99524	1.0
590.55798	1.1
635.39551	58.8
636.39807	7.9
671.32581	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01382	13.0
61.98833	3.6
69.03468	0.8
69.79013	0.7
70.75474	0.7
71.01391	7.0
71.05018	0.7
71.55242	1.3
73.02944	2.0
83.01381	1.5
83.27939	0.8
85.02954	3.1
87.00867	1.3
89.02447	3.2
93.03472	2.0
96.96017	1.1
97.02992	0.8
97.06609	1.0
101.02448	3.8
111.04538	1.1
111.08182	1.0
113.02444	2.1
119.03485	1.5
121.06571	1.1
122.03649	0.8
123.08176	2.2
125.06116	1.5
131.03528	0.8
131.79782	0.8
135.04488	1.6
136.05315	26.0
137.02400	1.0
137.06038	2.8
137.09741	0.9
140.74229	0.7
141.01712	1.8
141.51305	0.6
149.06076	4.6
150.06854	2.5
151.07664	1.4
162.06863	2.1
163.07602	2.9
164.08409	1.5
165.09218	22.9
173.04469	2.1
177.09216	0.9
179.05637	0.8
179.10748	1.1
191.05647	4.2
198.23524	0.7
207.10191	1.6
209.11816	2.0
223.09782	1.2
227.12953	0.7
279.19037	0.7
292.16830	1.2
307.19110	2.7
311.11285	0.8
336.19382	0.9
343.21191	5.3
398.39590	0.7
414.95728	0.9
445.29724	1.0
463.30765	8.5
464.30997	0.9
465.32227	1.1
491.30713	1.6
497.26718	0.9
508.29865	1.8
509.30804	24.3
510.31201	3.0
550.60553	0.8
627.33179	1.0
635.36499	1.0
660.64136	0.7
671.36292	100.0
672.36823	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01382	13.0
61.98833	3.6
69.03468	0.8
69.79013	0.7
70.75474	0.7
71.01391	7.0
71.05018	0.7
71.55242	1.3
73.02944	2.0
83.01381	1.5
83.27939	0.8
85.02954	3.1
87.00867	1.3
89.02447	3.2
93.03472	2.0
96.96017	1.1
97.02992	0.8
97.06609	1.0
101.02448	3.8
111.04538	1.1
111.08182	1.0
113.02444	2.1
119.03485	1.5
121.06571	1.1
122.03649	0.8
123.08176	2.2
125.06116	1.5
131.03528	0.8
131.79782	0.8
135.04488	1.6
136.05315	26.0
137.02400	1.0
137.06038	2.8
137.09741	0.9
140.74229	0.7
141.01712	1.8
141.51305	0.6
149.06076	4.6
150.06854	2.5
151.07664	1.4
162.06863	2.1
163.07602	2.9
164.08409	1.5
165.09218	22.9
173.04469	2.1
177.09216	0.9
179.05637	0.8
179.10748	1.1
191.05647	4.2
198.23524	0.7
207.10191	1.6
209.11816	2.0
223.09782	1.2
227.12953	0.7
279.19037	0.7
292.16830	1.2
307.19110	2.7
311.11285	0.8
336.19382	0.9
343.21191	5.3
398.39590	0.7
414.95728	0.9
445.29724	1.0
463.30765	8.5
464.30997	0.9
465.32227	1.1
491.30713	1.6
497.26718	0.9
508.29865	1.8
509.30804	24.3
510.31201	3.0
550.60553	0.8
627.33179	1.0
635.36499	1.0
660.64136	0.7
671.36292	100.0
672.36823	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	671.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.7
57.03462	0.4
59.01381	7.9
59.01647	0.5
61.98839	0.5
65.03970	0.3
67.01933	0.4
68.54268	0.3
69.03479	0.4
69.49047	0.3
69.87255	1.6
71.01386	5.9
71.01723	0.4
71.05050	0.7
72.99329	0.5
73.02979	1.5
77.53055	0.3
80.02692	1.9
81.03463	2.7
83.01429	1.2
83.05036	6.3
84.02208	1.0
85.02950	1.9
87.00912	1.0
89.02444	3.0
91.04028	0.3
93.03470	1.6
95.01414	0.7
95.05049	1.7
97.02958	4.2
97.03513	0.4
97.06609	0.9
98.20633	0.6
99.00921	1.3
99.04578	0.4
101.02459	4.5
107.05014	0.8
109.06599	16.5
110.03767	0.9
111.04548	0.7
111.08182	0.5
111.37862	0.3
112.09640	0.3
113.02459	2.4
119.03555	0.8
121.06641	1.5
123.04561	0.4
123.08224	1.0
125.02458	0.4
125.06118	0.9
125.09731	2.2
135.08162	3.4
136.05348	1.2
142.02748	1.4
143.03503	0.7
145.05103	0.5
147.11789	0.4
149.09753	0.4
161.04562	1.8
161.09752	1.4
162.06808	0.5
163.11305	12.7
164.11678	0.5
165.12880	3.1
171.10309	3.8
177.09241	0.4
179.10892	0.8
180.68311	0.3
181.12355	3.7
182.12700	0.4
185.11871	2.2
187.09715	0.6
189.09218	1.1
191.05603	0.6
191.10786	1.3
199.13293	0.5
201.11401	0.7
207.10274	46.1
208.10591	2.3
209.11841	100.0
210.12169	4.1
217.12254	0.8
221.11893	0.6
223.13361	0.6
225.11336	20.0
226.11690	1.0
227.12894	12.6
228.13304	0.5
231.10301	1.2
235.08261	2.9
235.13461	0.5
243.12309	0.8
245.11719	0.8
247.13391	0.7
249.11198	1.7
253.09294	8.3
263.12924	1.2
265.14438	0.9
281.13870	0.6
299.15009	0.9
355.22705	0.5
371.22150	0.4
373.23898	0.7
381.20529	0.6
389.23376	0.6
399.21848	5.3
417.22867	5.2
435.23816	0.6
443.19193	2.6
445.20499	0.8
461.20319	8.2
462.20593	0.8
465.32086	0.4
491.26202	0.5
497.08203	0.4
601.14203	0.4
625.31958	0.5
627.37720	0.7
635.30780	8.3
636.30896	1.1
653.31714	13.0
654.31952	1.8
671.32684	21.2
672.33295	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	671.2681
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
57.20911	5.9
61.98839	11.2
71.55616	6.3
72.34795	4.7
78.95902	17.5
109.52474	5.7
112.92557	5.4
118.34003	5.1
139.67812	5.5
152.99646	5.0
235.08287	5.1
239.31470	5.4
255.23393	10.0
301.10898	5.3
440.70694	5.4
477.10217	6.1
671.26923	100.0
672.26691	13.4
687.72308	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	671.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33170	0.3
52.52644	0.4
54.45276	0.4
55.01878	0.4
57.03450	0.6
59.01386	2.0
69.79853	2.0
71.01389	9.5
73.02957	2.9
78.95885	0.9
79.52869	0.4
83.01394	1.2
85.02966	4.2
87.00863	0.7
89.02440	1.5
93.03482	0.7
95.01387	0.8
96.96012	0.6
96.96970	0.4
99.00885	1.3
99.04533	0.8
99.14378	0.3
101.02456	6.4
102.18808	0.4
108.02189	1.6
109.02972	2.5
113.02464	5.8
119.05016	0.4
121.02967	2.9
122.03752	100.0
123.04590	12.5
127.04047	0.5
129.01945	0.7
134.04764	1.2
135.04555	1.7
137.02480	2.2
137.03357	0.4
137.06099	2.2
143.03590	0.7
146.79494	0.4
147.04546	2.0
149.06073	0.7
150.03233	0.5
159.02968	1.2
161.04573	13.0
161.05899	0.6
165.05565	6.3
167.03520	1.1
177.05569	2.4
191.05568	0.6
267.07281	1.5
285.09790	4.6
329.08801	61.8
330.09192	3.1
359.28421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19120	0.5
61.98845	0.7
70.58041	1.0
133.02974	3.0
134.03760	3.7
135.04536	34.0
136.04860	0.9
147.04535	0.7
148.05318	6.1
161.02464	8.4
179.03503	23.8
191.03464	0.7
420.99734	0.6
453.33932	4.0
633.37952	100.0
634.38367	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	669.3862
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03440	1.3
59.01388	9.9
61.98829	4.5
62.00005	0.5
65.47277	0.5
70.05065	0.5
71.01384	5.3
71.54783	0.9
72.99310	0.9
73.02954	1.7
83.01408	0.8
83.05013	0.8
85.02952	2.5
87.00866	0.9
89.02465	4.0
93.03470	0.7
96.96033	3.3
99.00887	0.8
99.04572	0.7
101.02436	3.7
109.06571	1.0
113.02437	1.9
113.06105	0.8
119.03497	1.1
121.06602	0.7
122.03738	0.7
123.04501	0.6
125.02486	0.8
129.25269	0.6
135.04523	2.5
135.08153	1.3
136.05292	1.7
137.06046	0.9
149.04829	0.7
149.06079	6.2
150.06876	39.1
151.00366	1.8
151.07336	1.6
161.04648	0.9
161.06105	0.5
161.09752	1.2
162.06883	1.0
163.07642	9.7
163.11290	0.7
164.08449	5.0
165.09064	0.7
169.12282	0.7
171.10213	0.7
173.04593	1.0
176.08449	1.3
177.09201	1.5
178.10020	2.3
179.10797	11.8
184.10403	0.7
191.05579	1.7
203.07095	0.8
207.10263	2.4
209.11797	1.5
225.11334	1.5
281.21234	1.1
283.19327	0.7
287.05621	1.3
325.23981	1.0
327.21759	5.5
327.42859	0.6
328.22290	0.6
357.26266	0.7
428.29398	1.2
443.31659	0.6
446.30399	9.1
447.30939	1.6
460.32230	1.3
461.32825	10.0
462.32959	1.3
488.31668	1.0
489.32355	1.8
506.32477	3.5
507.33319	26.8
508.33728	3.0
522.20758	0.5
529.22083	0.9
572.23767	1.1
609.36462	0.9
625.35681	0.9
651.29944	1.3
669.38715	100.0
670.39050	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	669.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01387	14.6
59.05838	0.9
61.98841	5.2
69.21944	9.6
71.01399	11.5
72.99316	2.0
73.02948	2.5
74.78682	1.0
83.15847	0.8
85.02940	4.3
87.00868	2.6
89.02452	7.8
99.00914	1.0
99.18021	0.9
101.02460	9.3
109.06610	1.2
113.02420	3.5
117.03377	1.1
119.03497	2.0
127.23546	1.1
131.03490	1.9
133.02039	1.5
133.02957	11.8
134.03777	5.1
135.03537	2.1
135.04535	32.3
136.04884	1.6
137.02411	2.4
161.02452	27.2
161.04463	1.7
162.02742	1.7
163.07584	1.7
166.18332	1.0
173.04453	1.7
177.09258	1.2
179.02130	1.3
179.03523	20.6
179.05345	1.6
179.05592	1.5
180.03767	1.0
191.05632	1.7
194.62195	1.0
207.10229	1.4
209.11819	1.2
225.11368	1.1
315.08444	1.7
375.21640	3.5
391.24850	1.6
447.25781	1.1
456.37555	1.3
507.33417	2.3
537.27100	10.5
651.29828	1.3
657.27393	1.1
669.31097	100.0
670.31372	15.7
670.41846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03455	0.3
59.01384	3.6
61.98830	0.5
69.03458	0.9
69.93640	1.3
71.01390	3.0
71.05049	0.5
73.02943	0.6
80.02679	1.4
81.03457	1.3
83.01385	0.4
83.05034	4.2
84.02200	0.8
85.02962	0.7
87.00880	0.6
88.71728	0.2
89.02451	2.0
92.56294	0.2
93.03477	0.4
95.05034	1.1
96.96004	0.6
97.06593	0.3
99.00919	0.3
101.02463	2.2
109.06621	0.4
111.04488	0.4
111.08153	0.3
113.02483	1.6
119.03514	0.6
125.09737	0.5
135.08154	0.8
137.35135	0.3
143.03540	0.3
149.09717	0.3
150.75616	0.3
161.04559	1.3
162.06871	0.3
163.11302	4.0
165.12877	1.7
167.10759	1.3
171.10323	2.2
173.04605	0.2
177.12823	0.2
179.05655	0.4
179.10794	0.8
179.14433	1.4
179.66673	0.3
181.12320	0.7
191.05678	0.3
191.10797	0.9
195.13914	4.0
205.12340	4.4
207.10228	0.6
209.11835	100.0
210.12193	4.9
223.13402	42.9
224.13725	2.4
225.11308	0.7
227.12903	13.3
228.13269	0.5
235.08220	2.3
253.09308	8.1
261.15021	0.7
339.71451	0.2
340.69516	0.2
415.24945	0.5
441.21329	0.4
445.20868	1.7
459.22470	2.2
589.25903	0.3
633.32935	0.7
651.33441	0.8
669.32355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01389	7.7
60.84469	0.8
66.08532	0.8
68.99794	0.7
69.27003	0.8
69.27322	7.7
69.27676	1.1
71.01391	13.8
73.02942	2.7
78.95934	1.0
83.01385	1.7
85.02979	4.8
87.00873	0.8
89.02459	1.3
93.03463	30.1
95.01380	1.8
96.96008	1.9
96.99264	0.8
97.42442	0.8
99.00862	1.0
101.02467	5.7
103.93242	0.8
108.02161	3.6
109.02953	3.5
113.02471	3.6
115.00394	6.7
116.92886	1.8
117.03448	0.9
119.05028	1.9
121.02977	4.9
122.03748	2.6
123.04539	1.6
124.01675	2.7
133.02960	7.2
134.03746	1.9
135.04518	2.1
136.01669	1.7
137.02457	49.2
138.02859	0.9
146.03754	1.4
147.04517	6.9
148.05321	2.8
151.03992	1.3
159.04474	1.6
160.05296	2.1
161.06061	2.9
162.06812	1.1
163.04053	1.8
164.06595	0.8
165.02036	1.0
165.05389	0.9
173.04483	2.0
175.07607	1.0
178.02721	1.4
179.03503	1.4
191.05656	3.7
193.05107	1.9
213.05608	1.9
221.04553	0.9
240.04362	1.3
241.05106	10.2
254.05884	1.3
255.06584	2.7
256.07397	7.8
257.08096	1.2
257.92957	0.8
267.06561	2.2
268.07401	6.0
269.08185	12.1
270.08966	1.5
271.09732	6.2
272.06891	1.6
281.06644	30.8
282.06879	1.4
283.09756	6.7
284.10580	18.7
285.11258	3.2
297.11316	1.9
299.12943	5.5
313.10590	1.1
325.10837	0.9
353.08716	1.6
416.88492	0.9
515.12244	1.0
553.17181	6.2
581.20239	1.1
625.19263	1.9
669.18268	100.0
669.35980	2.8
670.18604	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	667.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43171	0.5
52.44064	0.5
55.01881	2.0
57.03453	2.5
58.00596	1.8
59.01385	42.4
61.98835	5.3
65.11419	0.5
69.03456	0.6
71.01389	39.5
72.01752	0.5
72.99326	2.0
73.02950	7.5
75.00865	0.6
83.01401	4.4
85.02959	14.5
87.00896	2.3
88.98808	0.6
89.02455	21.1
89.05530	0.5
93.03474	1.1
93.07056	0.6
95.01420	3.2
96.96037	3.1
97.02980	0.9
99.00875	2.9
99.04555	1.0
101.02453	23.7
111.00860	2.3
113.02456	13.5
113.03255	0.6
116.92858	2.8
117.03497	1.6
117.05613	1.0
119.03525	6.7
119.05027	1.0
121.02947	0.6
123.04570	0.7
124.01662	1.4
125.02453	2.0
129.01958	0.8
129.27483	0.4
131.03528	1.5
133.02956	0.8
133.05067	0.6
135.04524	1.7
137.02464	0.8
139.04041	1.1
140.08098	0.5
143.03516	1.4
143.56453	0.5
145.02972	6.6
147.04588	0.6
149.04568	0.9
149.05957	0.6
159.03033	0.9
160.05304	0.9
161.02502	0.6
161.04582	4.2
163.04071	2.0
163.77971	0.5
173.04567	1.6
175.07620	0.6
177.01941	1.3
179.03578	1.1
179.05637	1.8
181.05070	0.7
185.11885	0.8
190.02629	0.6
191.03700	1.1
191.05658	4.0
203.03545	0.7
213.18707	0.5
241.05180	0.7
279.10764	0.8
307.08261	2.8
329.13998	1.0
343.28604	0.6
463.25095	0.5
487.32529	1.1
505.33911	17.6
506.34433	2.0
570.23248	0.8
607.33105	0.8
623.36377	1.0
631.33246	1.2
639.04395	0.5
667.20923	3.2
667.39337	100.0
668.21948	0.9
668.39789	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	667.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50843	1.3
56.97912	1.3
57.03455	1.6
58.00589	2.7
59.01386	72.4
61.98841	6.6
70.49261	1.1
71.01392	46.0
71.55175	1.9
72.99319	5.0
73.02953	3.4
75.53403	1.1
83.01389	2.7
85.02958	11.6
87.00890	1.8
89.02454	42.9
94.68491	1.1
95.01382	2.7
96.95990	1.1
97.78070	1.2
99.00889	1.8
101.02460	30.1
113.02460	16.8
119.03513	17.9
131.03540	1.7
143.03482	4.0
151.61626	1.1
161.04567	3.6
179.05653	8.7
183.28703	1.2
191.05554	2.4
444.51514	1.2
487.32816	39.0
488.32690	3.2
505.34064	1.2
527.22784	1.3
667.39185	100.0
668.39630	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	667.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03445	2.4
58.00586	2.0
59.01385	38.1
61.98826	2.8
69.03440	0.9
71.01390	38.4
71.55034	0.8
72.99322	3.8
73.02961	8.9
83.01397	4.3
83.05034	1.0
85.02967	15.4
86.78952	0.7
87.00871	2.6
89.02454	19.8
95.01391	2.9
99.00898	5.6
101.02452	26.9
111.00920	1.5
113.02458	13.8
119.03500	8.3
125.02460	1.4
127.61342	0.8
131.03500	2.6
133.05067	0.8
143.03461	1.5
149.04562	1.7
153.33490	0.8
159.02998	1.4
161.02469	0.7
161.04575	4.4
161.05774	0.7
173.04572	1.2
179.05611	2.9
187.07742	1.0
191.05635	4.9
203.07156	1.2
213.09302	1.0
213.18591	1.0
215.10771	0.9
229.08592	1.3
245.86754	0.9
257.11813	1.0
307.61044	0.8
343.28497	1.3
375.23892	1.2
390.75815	0.7
396.89243	0.8
471.83423	0.8
487.32538	2.3
505.33871	15.0
527.21777	1.1
570.23322	2.9
595.28052	3.6
607.37360	3.7
623.34723	0.8
625.37646	3.8
639.30432	3.7
649.28931	0.9
667.29541	14.2
667.39282	100.0
668.30084	2.4
668.39899	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	667.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25084	0.6
53.36507	0.7
55.01877	1.5
57.03438	2.4
58.00599	0.9
59.01385	39.7
61.98832	2.5
69.44944	4.3
69.45348	1.5
70.10857	0.7
71.01390	20.5
72.99309	1.9
73.02962	7.4
81.03453	1.0
83.01402	4.1
85.02956	7.4
87.00880	1.9
89.02454	12.3
95.01408	1.5
96.96023	3.9
97.02962	0.9
99.00893	2.5
101.02448	14.2
103.04041	0.7
107.84945	0.7
109.02961	0.6
111.00900	3.6
113.02454	4.9
116.92855	2.8
117.05564	0.9
119.03536	0.8
123.08170	1.6
125.02445	2.7
125.11080	0.6
129.01971	1.0
131.03525	3.5
133.02876	0.9
135.04494	1.1
139.04008	0.8
141.12926	0.7
143.03470	1.2
151.00388	0.8
159.03099	0.9
161.02505	1.2
161.04634	1.4
163.47438	0.7
173.04497	2.0
177.01872	0.7
186.03229	0.7
191.03630	1.4
191.05614	4.3
242.02286	1.2
270.01804	1.1
277.21713	1.9
279.10913	0.9
285.04352	1.1
295.22739	1.5
313.03601	8.1
325.16525	2.3
439.27103	2.6
457.28064	1.3
475.29031	0.9
499.33588	0.9
505.33862	0.9
589.32416	2.5
607.33185	2.5
649.33044	0.9
666.39355	0.8
667.35541	100.0
668.35785	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	667.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25084	0.6
53.36507	0.7
55.01877	1.5
57.03438	2.4
58.00599	0.9
59.01385	39.7
61.98832	2.5
69.44944	4.3
69.45348	1.5
70.10857	0.7
71.01390	20.5
72.99309	1.9
73.02962	7.4
81.03453	1.0
83.01402	4.1
85.02956	7.4
87.00880	1.9
89.02454	12.3
95.01408	1.5
96.96023	3.9
97.02962	0.9
99.00893	2.5
101.02448	14.2
103.04041	0.7
107.84945	0.7
109.02961	0.6
111.00900	3.6
113.02454	4.9
116.92855	2.8
117.05564	0.9
119.03536	0.8
123.08170	1.6
125.02445	2.7
125.11080	0.6
129.01971	1.0
131.03525	3.5
133.02876	0.9
135.04494	1.1
139.04008	0.8
141.12926	0.7
143.03470	1.2
151.00388	0.8
159.03099	0.9
161.02505	1.2
161.04634	1.4
163.47438	0.7
173.04497	2.0
177.01872	0.7
186.03229	0.7
191.03630	1.4
191.05614	4.3
242.02286	1.2
270.01804	1.1
277.21713	1.9
279.10913	0.9
285.04352	1.1
295.22739	1.5
313.03601	8.1
325.16525	2.3
439.27103	2.6
457.28064	1.3
475.29031	0.9
499.33588	0.9
505.33862	0.9
589.32416	2.5
607.33185	2.5
649.33044	0.9
666.39355	0.8
667.35541	100.0
668.35785	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	667.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
61.98835	1.0
63.12164	0.3
69.24351	1.8
69.24778	1.1
71.01392	3.2
72.99281	0.3
73.02957	1.1
75.00863	0.3
85.02942	1.4
87.00874	0.6
88.64095	0.3
89.02464	3.5
89.91077	0.3
93.03510	0.3
96.69157	0.3
96.96020	0.9
97.97720	0.3
98.20691	0.7
99.00877	1.4
99.01465	0.3
101.02460	2.1
108.18387	0.3
113.02483	1.1
119.03515	0.5
121.02959	0.5
131.03528	0.8
132.02159	0.3
133.02971	6.9
134.03775	4.5
134.33821	0.3
135.04546	24.4
136.04877	0.6
137.02454	3.5
139.04030	1.1
142.89218	0.3
149.04605	0.9
150.03197	0.4
150.09306	0.3
151.00404	0.3
161.02469	15.3
161.04504	0.6
162.02768	0.4
174.03244	0.7
175.07668	0.8
178.02722	1.2
179.03516	12.4
180.03897	0.3
187.04140	0.4
187.07628	1.1
191.03738	0.3
191.05589	1.4
199.07701	0.5
202.06403	0.3
203.07162	1.9
214.09801	0.3
301.06998	0.3
314.13327	0.3
373.20215	100.0
374.20587	9.8
386.22269	0.3
439.19998	0.4
526.20496	1.0
527.21509	2.3
569.22687	0.4
570.23187	4.2
607.36267	0.3
667.29718	1.2
667.38715	2.0
668.32574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22102	0.5
50.97010	0.5
51.86687	0.5
55.01875	0.7
57.03447	0.9
59.01109	0.9
59.01383	11.7
61.98831	2.7
66.10566	0.5
68.97047	0.6
71.01388	11.7
72.99306	0.6
73.02940	3.1
75.00874	0.5
83.01388	2.1
85.02957	4.3
87.00871	1.6
89.02450	6.7
93.03442	0.7
96.96010	0.7
98.19762	1.1
99.00873	1.3
100.24310	0.6
101.02448	7.3
110.51953	0.5
111.00883	1.0
113.02464	2.8
119.03513	1.4
124.01620	0.5
125.02455	1.4
131.03471	2.8
133.02971	13.0
134.03770	5.7
135.04541	34.2
137.02457	3.8
149.04556	1.6
150.55078	0.5
161.02458	24.5
161.04605	1.4
161.06064	1.4
162.02762	0.6
163.04002	1.9
163.07703	0.6
173.04541	1.0
174.03223	1.0
178.02693	0.9
178.06340	1.5
179.03511	17.1
179.07094	0.6
187.03975	0.7
187.07657	1.0
191.05635	3.1
202.06334	0.7
203.07143	1.2
205.05727	0.6
341.12564	0.5
355.19269	1.1
357.20688	2.5
373.20306	3.6
374.20453	0.7
473.16650	0.6
503.83286	0.5
505.33621	0.9
517.24200	0.8
524.09351	0.5
526.20673	1.0
527.21112	2.1
535.25476	10.4
536.25995	1.2
570.23230	4.0
607.37299	2.7
625.37885	1.9
667.29706	100.0
667.39612	8.9
668.29999	13.4
668.39978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3917
Annotation	2alpha,3alpha,19alpha,24-Tetrahydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03447	4.7
58.00584	2.5
59.01385	47.6
60.81600	0.7
61.98840	6.4
71.01389	29.9
71.04451	0.8
71.05042	4.9
71.55991	1.4
72.99306	2.7
73.02954	2.9
75.00888	1.9
83.01399	3.7
83.05051	3.0
85.02950	9.1
85.29261	1.0
87.00884	2.8
89.02454	21.9
95.01392	3.1
96.96020	7.4
97.02979	0.9
97.06597	1.7
99.00854	1.2
99.04540	1.4
101.02454	19.2
113.02457	14.0
116.92888	2.7
119.03519	8.2
125.02468	1.7
133.20662	0.8
135.04515	1.2
136.01689	1.1
143.03494	1.6
145.48038	0.9
149.04575	1.0
149.06111	1.0
154.86293	1.0
161.02452	0.9
161.04568	3.8
173.04578	1.6
179.03467	1.1
179.05646	2.6
191.05664	2.4
216.61182	0.8
253.07286	0.9
288.24832	0.8
337.25488	2.0
355.26486	1.1
357.13504	1.7
358.13898	0.9
359.14078	1.0
373.18661	1.5
389.27194	1.5
404.21271	2.0
415.13367	1.0
441.33899	3.4
444.41382	0.9
455.31708	3.2
467.32120	1.6
481.29111	0.9
485.32733	100.0
486.33133	11.3
491.28812	2.2
521.33502	2.2
524.91388	0.9
579.30359	1.4
665.39331	91.4
666.39734	11.8
689.95416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3921
Annotation	2alpha,3alpha,19alpha,24-Tetrahydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.71433	0.8
55.01884	1.1
57.03453	2.0
58.00603	3.0
59.01384	86.1
60.01721	0.9
61.98833	2.4
71.01389	43.6
71.05032	8.1
71.85101	0.8
71.89571	0.9
72.99306	4.6
73.02955	5.2
75.00892	0.8
83.01416	2.5
85.02959	8.7
87.00900	2.9
89.02456	45.7
93.03481	1.9
95.01416	2.4
96.96029	2.8
97.06604	1.3
98.20702	1.3
99.00878	1.3
99.04559	0.8
101.02457	27.8
111.00750	0.8
113.02453	18.6
116.92876	4.6
117.05588	4.4
117.86288	0.8
119.03512	21.6
124.91846	0.9
125.02386	1.2
131.03540	2.9
133.02908	0.8
135.04556	1.2
137.06126	1.7
143.03571	4.0
149.04605	2.3
161.04579	4.7
173.04524	1.6
179.05617	13.5
191.03618	1.9
191.05652	2.6
279.10944	2.9
321.25842	1.0
335.23834	1.2
337.25366	9.1
348.54083	1.0
349.25485	3.5
369.24097	1.5
369.28122	9.2
385.26346	0.9
413.27164	3.5
441.34076	3.2
485.32758	15.4
486.33136	2.0
501.80035	0.9
503.32788	1.0
665.39276	100.0
666.39655	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	665.3923
Annotation	Quadranoside II
Peak:m/z	Relative Intensity
55.01849	1.7
57.03403	1.9
58.00562	1.7
58.80522	0.8
59.01323	41.9
59.01649	3.3
59.01807	1.5
61.98767	3.7
69.40403	6.7
70.75708	0.8
71.01389	23.5
71.01741	1.1
71.05017	5.1
72.99238	2.5
73.02941	6.8
75.00813	2.5
80.02592	0.8
83.01332	2.1
83.05043	3.6
85.02958	8.9
87.00845	1.3
89.02452	22.6
94.37975	0.7
95.01344	1.8
96.95950	2.3
97.06540	1.2
101.02459	13.7
109.06519	0.8
113.02452	11.3
116.92776	2.5
117.05590	5.2
119.03507	6.2
125.02389	1.4
131.03465	0.9
133.05037	0.9
135.04457	1.3
143.03386	1.3
145.00386	0.7
161.04456	2.3
173.04494	1.0
179.05556	2.1
191.03513	0.9
191.05571	2.2
195.06508	2.0
196.07190	1.3
211.09662	1.1
355.26373	3.0
367.26416	1.2
399.25339	1.1
441.33707	3.3
455.31488	3.6
467.31830	1.1
485.32748	100.0
486.33234	11.0
665.39069	71.5
666.39581	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	666.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	11.1
59.01115	2.1
59.01381	24.5
61.98821	4.7
67.44176	1.6
69.56208	10.9
69.94288	1.7
70.02969	3.3
71.01388	21.7
72.00911	4.5
72.99286	2.6
73.02946	3.3
78.95890	5.7
79.95710	1.8
85.02945	7.4
86.03247	1.6
87.00877	4.9
88.98830	1.6
89.02454	32.3
90.02771	3.6
91.05526	4.3
93.03454	5.2
96.96021	25.5
96.96972	5.6
98.95587	2.4
100.88528	1.7
101.02461	14.8
109.02924	2.1
113.02443	7.4
116.92874	3.5
119.03490	4.9
123.04560	2.2
125.02452	3.1
131.03487	6.0
133.02988	3.0
133.05002	3.0
134.03844	3.2
135.04520	7.1
144.70735	1.8
145.02896	2.1
147.04524	25.7
149.04553	14.2
150.03264	2.0
150.04991	1.8
152.01149	3.5
161.02480	4.0
161.04599	1.8
163.04021	1.9
164.07187	55.1
164.08557	3.4
165.05647	1.7
167.03503	6.0
168.03854	4.1
173.04541	6.0
175.04037	1.7
177.01961	2.6
177.05571	1.9
179.03471	3.9
189.05750	1.9
191.05641	20.1
195.06575	2.1
199.73688	1.5
206.08231	100.0
207.08488	2.6
216.34171	1.8
219.06729	2.1
234.30013	1.7
269.08160	1.9
285.10806	2.6
353.08768	14.3
461.09290	2.3
504.14542	3.0
525.92041	1.9
535.27411	7.1
539.03607	1.9
666.20929	5.2
667.32269	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.64653	0.5
57.03443	2.5
58.00592	1.9
59.01384	40.2
59.65036	0.6
60.89022	0.5
61.98835	3.8
71.01389	36.1
71.56876	0.6
72.01701	0.5
72.99313	2.6
73.02950	4.0
75.00889	1.5
78.95903	1.6
81.03429	0.7
83.01390	2.9
85.02959	12.1
87.00881	2.2
88.98806	0.8
89.02453	23.0
93.03455	2.0
95.01389	3.1
96.96022	17.8
96.96972	1.6
98.95538	0.7
99.00892	1.8
99.08148	0.8
101.02451	24.2
108.02195	2.0
109.02962	1.9
113.02455	10.4
116.92892	3.5
119.03521	8.6
121.03001	2.7
122.03730	1.3
123.00887	0.7
123.04528	0.9
124.01696	0.7
125.02481	1.5
127.04005	1.0
131.03497	1.5
134.03653	0.7
135.04544	1.3
136.01675	40.9
137.02377	2.3
138.10925	0.6
143.03487	1.7
145.08693	2.6
146.03766	0.6
147.04552	0.7
151.04021	55.3
152.04344	1.9
154.67859	0.6
159.03049	0.8
159.04471	1.1
160.05270	0.5
161.04643	3.8
161.05824	1.1
162.03233	0.9
163.03990	1.5
164.27971	0.5
166.02663	0.8
167.03494	0.6
173.04559	2.6
173.05991	0.5
174.83321	0.6
175.03976	2.0
176.04767	2.1
177.05495	1.0
179.05594	1.6
181.05125	1.5
187.03983	0.8
188.04744	0.5
189.05627	0.9
191.05606	5.7
191.07152	2.8
312.10049	1.2
327.12354	4.0
339.12512	2.6
342.11002	2.9
343.11917	0.6
357.13455	49.4
358.13828	7.0
403.14398	0.7
417.14996	0.9
485.24707	1.0
485.32684	7.1
503.19205	1.9
521.19409	0.7
552.48169	0.6
579.30261	0.8
621.40094	2.2
633.24719	0.6
635.23926	0.9
647.23145	2.3
665.24707	18.3
665.38977	100.0
666.24945	3.5
666.39331	16.1
691.43774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03439	3.3
58.00598	0.9
59.01123	0.8
59.01389	11.0
61.98827	2.2
62.91560	0.7
65.26130	0.7
70.87160	1.5
70.87520	0.8
71.01020	1.1
71.01390	14.6
72.99286	2.3
73.02965	4.0
75.00877	11.8
77.73550	0.7
83.01380	2.1
85.02959	22.5
87.00861	2.8
89.02471	4.3
95.01370	2.1
99.00888	4.4
101.02456	4.8
104.47161	0.6
113.01727	1.2
113.02454	17.1
115.00355	1.8
116.01117	1.4
117.01907	1.1
119.03477	1.5
125.09705	3.2
125.92297	0.7
129.01967	1.2
157.01375	0.9
161.04501	2.0
173.04550	1.2
175.02460	0.8
187.09735	1.8
191.05525	1.5
201.05583	0.9
203.07014	0.8
206.38655	0.8
209.11798	2.9
244.50008	0.8
443.27957	0.9
471.30908	5.0
489.32196	5.3
568.17786	1.2
605.35028	0.8
629.38916	3.7
633.31165	2.8
665.35590	100.0
666.36102	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	665.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18989	0.9
55.01884	1.1
57.03450	1.9
59.01113	1.2
59.01388	19.0
61.98843	1.8
70.30491	3.5
71.01388	23.5
72.10241	0.8
72.99332	1.0
73.02958	5.1
83.01402	2.7
84.43217	0.8
85.02959	11.3
87.00887	1.5
89.02457	9.5
93.03442	2.1
95.01411	2.9
95.82839	0.9
96.96017	9.6
96.96950	1.7
97.03006	1.1
99.00900	1.3
99.45596	1.1
101.02460	13.1
108.02174	2.0
109.02944	2.4
113.02464	8.8
116.92818	2.0
119.03492	1.6
121.02967	6.2
122.03764	1.9
123.04527	3.7
125.02438	1.3
131.03584	1.1
135.04544	1.0
136.01671	77.3
137.02374	3.6
143.03503	1.2
147.04482	1.3
151.04018	100.0
151.90739	0.8
152.04376	2.1
160.05275	2.3
161.02466	1.2
161.04518	4.7
162.03185	1.3
163.04053	2.4
173.04608	1.6
175.03993	2.7
175.07674	2.1
176.04741	2.7
177.05566	1.0
181.05014	1.0
187.03972	0.9
188.05017	0.8
190.06308	1.1
191.05608	2.1
191.07173	3.4
239.11986	1.2
280.06757	0.8
294.08917	1.2
312.09711	1.2
324.10339	1.1
327.12405	7.3
339.12292	5.0
342.11105	4.6
357.13446	91.5
358.13724	5.9
374.59225	1.0
387.14478	1.6
412.38412	1.0
503.19305	2.1
561.28821	1.6
588.25800	1.1
589.25732	1.4
633.25024	4.1
635.23413	2.7
647.23779	3.1
665.24500	41.6
665.38702	28.4
666.25330	5.1
666.38879	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	665.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57389	0.6
57.79771	0.6
59.01376	1.0
69.18138	6.3
69.95397	0.6
71.01385	6.6
78.95879	0.6
80.21918	0.6
87.00875	2.4
89.02454	12.1
93.03480	3.5
96.96012	4.3
96.99290	1.0
108.02185	3.4
109.02964	5.0
115.00384	4.4
120.52698	0.6
121.02924	1.9
122.03740	1.3
123.04531	3.4
124.01675	0.8
133.02957	1.8
133.05096	7.2
134.03745	8.8
135.04518	3.1
137.02431	2.1
145.02933	2.0
146.03749	3.7
147.04564	7.7
148.05331	6.8
149.06104	1.7
151.03987	0.9
152.01103	0.9
155.03569	0.9
155.05005	0.6
159.04514	2.5
160.05298	2.7
161.02400	0.8
161.06105	3.0
162.06796	1.1
163.04053	1.2
163.77408	0.7
167.03474	1.8
173.04564	12.8
174.03238	0.9
175.07651	1.0
178.02696	2.8
178.50871	0.6
179.03474	3.0
180.04111	0.6
186.03291	0.8
189.05652	0.7
191.05640	2.7
193.05045	5.8
195.06580	0.7
201.05536	0.8
207.06650	2.5
212.04778	1.1
213.05559	2.6
217.01466	1.1
223.04047	0.6
232.03796	0.8
233.04549	0.9
240.04311	2.4
241.05089	18.0
242.05455	0.8
249.05484	0.7
250.06078	0.9
251.07137	0.9
252.07971	1.2
253.05023	1.3
254.05922	0.9
255.06575	6.0
256.07437	14.4
256.48434	0.8
266.05881	1.3
267.06577	6.7
268.07422	6.6
269.08142	9.9
270.08978	6.3
271.09756	18.8
272.06918	2.6
272.09979	1.2
281.08209	1.9
282.09073	4.8
283.09772	10.9
284.10565	16.4
295.06177	0.8
297.11316	12.3
298.08615	1.2
298.11749	1.4
299.09393	1.4
299.12836	8.9
309.07516	1.5
310.08368	2.1
313.10773	4.7
325.10828	3.1
341.08792	1.7
343.11786	1.9
353.06662	1.0
387.10776	2.6
503.14243	1.5
507.01697	0.8
549.15631	3.4
621.18341	3.7
665.20911	100.0
666.21289	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.376
Annotation	Rubuside J
Peak:m/z	Relative Intensity
51.72099	1.1
55.01887	1.8
56.71190	1.2
57.03446	3.5
59.01384	13.3
61.98835	3.2
71.01389	9.2
71.05022	1.7
72.99306	4.0
73.02957	1.3
75.00878	15.0
78.95914	1.1
83.01412	2.4
85.02959	20.1
86.62215	1.1
87.00877	3.3
89.02462	4.8
93.03476	1.6
95.01394	2.7
98.20759	2.8
99.00892	3.6
101.02454	2.3
111.00833	1.2
113.02470	11.5
116.92841	1.3
117.01948	1.4
117.05600	1.5
124.19599	1.0
125.02415	1.1
127.04080	1.1
135.04567	2.3
151.04013	1.8
157.01514	1.7
161.02536	1.2
173.04578	1.5
186.27071	1.2
191.05672	5.0
306.37119	1.3
362.03888	1.1
501.32477	3.2
627.37488	1.9
631.06464	1.4
631.22681	1.2
663.37653	100.0
664.37958	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	663.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03456	5.2
59.01383	12.6
61.98835	3.4
67.01891	1.0
71.00047	1.2
71.01389	10.7
72.99310	2.2
73.02948	3.4
75.00875	17.1
79.95738	0.5
83.01399	1.9
84.02180	0.6
85.02956	18.9
87.00877	2.2
89.02447	2.7
93.03428	0.7
95.01402	2.2
96.96022	10.2
99.00883	2.4
99.04532	1.0
99.92564	0.5
101.02447	5.6
107.24167	0.5
112.01716	0.8
113.02462	11.7
116.01178	0.7
116.92863	1.2
117.01940	0.6
117.05601	0.7
119.03522	1.1
124.86830	0.5
125.02429	0.9
129.01892	0.8
135.04578	1.0
157.01454	1.0
161.04579	1.4
165.56480	0.7
173.04523	1.5
175.02448	0.7
179.05740	0.6
191.05614	1.7
201.14656	0.5
204.06735	0.5
260.19983	0.5
267.20511	0.7
409.31107	0.6
469.33221	1.2
487.34540	1.6
501.32175	0.8
541.35431	0.9
569.34729	1.3
601.37372	5.0
619.39844	1.2
625.38446	0.8
627.37744	1.3
633.36279	1.2
634.37274	0.8
645.37054	1.6
663.37537	100.0
664.37848	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	663.3761
Annotation	Phytolaccoside B
Peak:m/z	Relative Intensity
55.01872	1.6
57.03455	6.6
59.01383	12.4
61.98832	3.4
67.01887	0.7
67.29649	0.5
68.99868	0.8
69.35912	4.6
71.01391	11.5
72.99313	2.3
73.02941	3.0
75.00882	18.9
75.06898	0.5
77.90419	0.5
83.01391	1.8
83.04995	0.6
85.02957	19.7
87.00888	3.0
89.02447	3.3
95.01398	2.6
96.96026	11.2
97.02975	1.0
99.00905	2.2
99.04531	1.0
101.02443	7.6
109.41970	0.5
111.00887	0.9
112.01675	0.8
113.02456	10.7
115.00361	0.5
116.01204	0.6
117.01975	0.6
117.05616	1.2
118.14738	0.5
119.03538	0.9
125.02422	1.1
125.06146	0.5
131.03401	0.7
134.03734	1.0
134.34256	0.5
135.04515	0.6
136.21600	0.7
151.00369	1.1
151.03964	0.7
156.07051	0.5
161.04575	1.7
173.04578	1.2
175.02576	0.6
178.99809	0.6
191.05635	1.8
207.65152	0.6
245.76936	0.6
279.10938	0.7
337.09311	0.5
409.31073	1.3
444.42465	0.5
458.72394	0.6
469.33395	1.4
483.31381	0.6
487.34451	1.2
488.35519	0.6
501.31006	0.7
569.34827	1.8
575.32465	0.7
601.37482	6.0
603.35046	0.8
619.40619	0.8
625.37946	0.9
627.37671	0.9
633.37024	1.1
645.36884	1.9
663.37524	100.0
664.37958	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	663.3762
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01872	0.7
55.40839	0.3
57.03191	0.5
57.03451	4.8
59.01115	0.5
59.01387	6.9
60.69133	0.3
61.98823	0.8
67.01885	0.6
68.99831	0.5
69.03425	0.3
69.93185	1.9
71.01388	6.6
71.05016	0.4
72.99314	2.4
73.02946	1.7
75.00880	19.1
76.01179	0.3
83.01394	1.4
83.53358	0.3
84.02144	0.4
85.02959	18.0
86.06743	0.3
87.00887	1.9
87.38756	0.3
89.02435	1.4
95.01405	2.9
96.96043	2.7
97.02959	0.5
97.06575	0.3
98.20621	0.4
98.95626	0.6
99.00914	2.4
99.04510	0.6
101.02455	1.7
111.00875	0.7
112.01673	0.7
113.02460	11.8
115.00373	0.8
116.01148	1.2
116.92863	1.1
117.01936	1.3
117.05579	2.0
119.03516	0.3
125.02543	0.4
129.01959	0.8
157.01425	0.9
175.02473	0.8
180.04295	0.3
191.05583	1.0
219.32788	0.3
283.10886	0.4
319.12967	0.5
371.29376	0.4
415.28629	0.9
423.32547	0.8
437.03845	0.4
439.32266	0.4
469.28754	0.4
487.34763	2.1
523.34418	0.5
529.31793	0.8
587.35913	0.7
625.37769	0.8
631.23944	0.9
645.36639	0.5
663.37561	100.0
664.37927	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	663.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76945	0.5
55.01871	0.8
57.03450	2.9
59.01376	2.8
62.53492	0.6
66.23566	0.6
67.47048	0.5
71.00578	0.8
71.00958	1.0
71.01392	4.9
72.99326	1.1
73.02923	0.7
75.00876	11.5
79.87221	0.5
85.02958	17.5
87.00882	2.6
89.02447	0.9
95.01369	1.7
99.00884	2.5
113.02463	12.6
115.00365	1.6
116.01163	0.8
117.01963	1.1
157.01428	1.3
175.02531	0.8
227.83876	0.5
274.35312	0.6
394.72198	0.5
409.27136	0.8
425.30533	1.7
437.30563	1.0
439.32227	2.1
455.31622	6.7
467.31641	4.2
468.31842	0.8
469.33459	1.5
487.34317	10.5
488.34619	1.0
663.37531	100.0
664.37994	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	663.3752
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01867	0.9
55.26785	0.7
57.03448	1.7
59.01385	4.8
61.98832	1.6
63.12235	0.8
71.01390	2.8
71.53357	1.2
72.99335	1.0
75.00877	3.8
85.02966	8.1
87.00916	1.4
96.96078	1.1
113.02472	7.2
116.01126	0.8
201.56586	0.9
301.85876	0.9
421.31021	2.3
437.30731	2.0
439.32150	12.5
440.32431	1.5
453.30066	20.3
454.30685	1.9
455.31403	1.0
467.31744	2.2
483.31195	1.8
487.34390	4.1
488.34897	1.2
495.31229	1.4
501.31970	2.3
534.40472	0.8
659.36536	0.9
663.37531	100.0
664.37823	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3755
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01870	1.4
57.03456	7.1
59.01388	7.0
61.98836	0.9
67.01888	1.1
68.99842	0.6
69.03461	0.5
71.01392	9.2
71.05025	1.9
71.56718	0.7
72.99318	2.6
73.02964	1.3
75.00883	20.7
78.95898	0.4
83.01394	1.4
85.02963	22.3
87.00887	2.9
88.98783	0.5
89.02454	1.7
93.03445	1.5
95.01408	2.6
96.96021	2.9
97.02962	0.6
98.02429	0.4
99.00900	2.2
99.04509	1.3
101.02462	2.1
111.04535	0.9
112.01678	0.9
112.98595	0.9
113.01723	0.8
113.02474	11.6
113.03267	0.8
115.00381	1.0
116.01154	1.6
117.05579	0.5
128.72940	0.4
129.01906	1.1
131.03493	0.6
135.04543	1.3
137.09554	0.4
148.05310	0.4
151.03949	0.5
152.03560	0.5
157.01459	0.6
161.02423	0.5
161.04686	0.6
169.12495	0.4
173.04582	1.4
174.61330	0.4
175.02480	1.1
176.04010	0.7
177.05673	0.5
179.03526	0.5
191.05643	3.4
229.09819	0.7
233.84727	0.4
247.58502	0.4
251.12381	0.5
279.46973	0.4
301.11935	1.3
311.10437	0.5
319.12949	1.9
335.12860	0.4
354.09552	0.5
415.28973	0.8
469.29691	0.6
485.33057	0.7
487.34543	3.9
520.92267	0.4
527.22876	0.6
529.77423	1.7
543.33636	0.6
545.24054	0.8
569.23981	0.6
587.24982	1.4
587.35748	1.5
589.22626	0.6
610.80273	1.7
611.30157	1.1
631.24323	1.1
632.79993	1.3
633.30084	0.7
663.27411	4.8
663.37537	100.0
664.27515	0.8
664.37939	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03453	3.4
59.01384	4.0
60.01812	0.2
67.01868	0.3
68.99815	0.4
71.01387	6.4
71.05011	0.4
72.99306	2.5
73.02937	0.5
75.00877	17.4
83.01384	0.9
84.86740	0.2
85.02957	18.0
85.99022	0.2
87.00879	2.5
89.02423	0.7
89.17074	0.2
95.01386	1.5
99.00890	2.8
112.01664	0.7
113.02459	13.2
114.02818	0.4
115.00372	0.9
116.01175	0.7
117.01945	0.8
129.01930	0.8
145.59831	0.2
157.01405	1.2
175.02550	1.1
339.26950	0.2
443.35263	0.5
455.31635	1.1
469.33551	1.2
487.35004	1.9
488.34506	0.3
530.35938	0.2
569.34985	0.5
603.35327	0.2
663.37524	100.0
664.37872	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	663.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03458	4.2
59.01386	2.9
67.01897	0.4
68.99831	0.5
71.01385	4.0
71.05018	0.8
72.99310	1.3
73.02943	0.6
75.00877	14.3
83.01389	0.9
84.02168	0.5
85.02955	21.6
87.00888	2.0
89.02392	0.3
95.01404	1.5
99.00898	2.4
101.02406	0.4
111.00916	0.3
112.01665	0.8
113.02457	13.9
115.00378	1.0
116.01144	1.2
117.01951	1.0
129.01945	0.6
157.01440	0.9
175.02496	0.8
271.59787	0.3
427.31973	0.4
439.32266	0.6
457.33728	0.4
467.31732	0.5
469.33331	1.9
483.31024	0.7
485.32648	0.5
487.34332	6.4
488.34998	0.8
501.32242	6.3
502.32547	0.9
543.33435	0.6
569.34814	0.4
587.36072	0.8
645.37073	0.3
663.37524	100.0
664.37854	16.7
694.15326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03453	3.5
57.26868	0.4
57.27203	0.4
57.47762	0.5
59.01379	2.8
71.01384	6.2
71.87800	0.4
72.99320	2.5
75.00477	1.0
75.00880	17.3
83.01377	0.8
84.97166	0.4
85.02956	16.9
87.00885	2.4
95.01397	1.6
99.00884	2.0
108.99667	0.6
112.01707	0.8
113.02462	11.8
115.00385	0.8
116.01183	0.5
117.01949	0.8
129.01958	0.7
157.01483	0.8
175.02472	0.7
201.70782	0.4
229.85449	0.5
455.31952	0.6
469.33411	0.9
485.32626	1.0
487.34467	3.0
488.34525	0.7
600.61859	0.5
663.37518	100.0
664.37885	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	663.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31506	0.7
55.01876	1.0
57.03454	49.0
59.01385	33.2
61.98838	25.0
67.01889	1.0
68.99577	2.1
69.03469	1.1
71.01388	9.9
71.10557	2.0
72.99296	1.5
73.02944	2.2
73.90993	0.9
75.00855	1.0
78.95934	1.0
81.03478	2.0
83.01402	2.6
85.02956	4.8
87.00888	1.6
89.02459	3.9
93.03471	3.0
96.96018	12.6
99.00893	1.5
99.04528	35.9
101.02453	13.9
104.69536	1.0
108.02191	1.6
109.02953	2.3
111.04531	1.0
112.98575	1.7
113.02424	5.2
116.92885	1.7
119.03513	1.8
121.02961	3.2
122.03750	1.4
123.04558	1.5
125.02457	25.3
131.03491	2.2
134.03679	1.3
135.04463	1.9
136.01674	37.2
137.02475	6.8
143.03506	1.1
146.03708	4.1
148.05280	2.2
149.04579	0.8
149.06143	1.0
150.03241	0.8
151.04025	51.5
151.07648	3.3
152.01134	0.8
152.04346	2.4
159.02991	0.8
159.04373	0.9
160.05443	0.8
161.02399	1.2
161.04561	2.5
161.06038	1.4
162.03284	1.3
163.04002	2.2
163.07683	1.1
163.40459	0.8
164.04887	4.4
165.01913	4.0
173.04628	4.4
175.04022	0.9
177.05533	1.7
179.03484	2.9
179.05724	1.2
179.07068	4.7
180.04225	1.8
180.07483	1.1
181.05081	2.1
191.05627	4.7
195.06581	4.1
196.07440	1.9
211.09857	1.3
225.07719	2.7
227.09338	1.0
271.08188	1.9
298.64804	0.8
319.12939	7.0
342.11072	16.8
355.17661	1.5
357.13443	100.0
358.13760	9.1
373.18707	15.8
374.18829	1.8
415.20102	0.9
489.26703	1.5
501.17523	2.0
517.22656	1.5
627.26495	6.6
645.38306	3.5
663.23553	3.4
663.36511	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	663.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20967	0.3
57.03454	43.6
58.03792	0.7
59.01385	2.4
59.84639	0.3
70.85815	0.6
71.01397	1.3
74.50450	0.3
79.81918	0.3
81.03479	1.1
83.01403	0.7
86.72120	0.4
89.02457	0.5
90.68701	0.3
93.03485	0.7
96.96045	1.0
99.04528	29.6
101.02448	10.2
108.02181	1.1
109.02991	0.4
110.06174	0.4
113.02465	0.9
121.02988	2.4
122.03735	2.2
123.04504	0.5
124.01657	0.4
125.02460	21.3
126.02811	0.6
134.03772	1.0
135.04596	0.4
136.01674	56.8
137.02545	1.8
143.03510	1.0
149.06084	0.5
151.04019	81.4
152.04401	2.7
159.04521	0.6
160.05327	1.0
161.02469	0.6
161.04578	1.2
162.03262	0.7
163.04021	1.1
175.04007	0.5
175.07632	1.6
177.05612	0.8
179.03500	0.5
179.07121	0.4
189.05551	0.5
191.05710	0.4
196.07385	0.4
201.10350	0.3
229.09760	0.5
293.56421	0.4
301.11929	1.0
311.12851	0.7
319.13010	2.9
327.12616	1.0
342.11032	3.7
343.11728	0.6
357.13446	100.0
358.13794	8.8
406.65939	0.3
501.17590	2.3
519.18768	1.4
545.23688	0.7
587.25226	1.4
631.24188	2.3
663.26147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03456	4.6
57.58036	0.5
59.01381	5.3
60.06609	0.4
61.13076	0.4
61.98835	1.7
67.01904	0.5
68.99837	0.5
70.17036	1.5
70.84610	0.5
71.01395	8.5
71.05024	1.1
72.99323	2.2
73.02969	1.5
75.00879	16.6
83.01394	1.1
83.05022	0.9
84.02183	0.7
85.02958	22.6
87.00872	2.7
89.02461	2.9
93.03471	0.8
95.01381	1.4
96.96021	12.0
99.00900	2.9
99.04531	0.6
101.02454	1.9
101.29382	0.4
112.01663	0.6
113.02460	13.7
115.00391	0.9
116.01175	1.0
117.01939	2.9
125.02431	0.5
127.04013	2.8
129.01938	1.1
139.07663	0.6
152.01003	0.5
157.01433	1.3
171.10229	0.7
175.02519	0.9
191.05688	1.5
197.11876	6.1
198.12077	0.7
201.11337	2.4
209.11855	3.8
253.09311	0.6
355.26468	0.6
433.20786	0.5
439.32016	0.8
473.32574	0.8
485.33078	0.8
533.33234	0.7
601.34009	0.7
610.44049	0.6
617.38855	2.0
661.36017	100.0
662.36298	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68863	1.0
54.28793	1.1
55.01880	1.5
57.03454	5.4
59.01113	1.7
59.01387	22.4
61.98825	5.0
69.03442	2.2
70.18709	5.1
71.01389	25.4
71.05013	3.9
72.99301	3.8
73.02943	6.4
75.00889	13.1
75.47501	1.2
77.44384	1.2
81.03456	1.3
83.01389	3.0
83.05029	3.2
85.02957	21.7
87.00871	4.3
89.02456	11.0
93.03469	2.1
95.01439	2.2
96.96024	34.4
97.02957	2.2
97.06570	1.5
99.00905	6.2
99.04527	1.9
101.02462	11.4
101.26348	1.2
109.02927	1.9
111.00891	4.2
113.02450	17.7
115.03952	1.6
116.05071	1.3
119.03485	1.4
125.02422	3.2
127.04014	6.4
129.01953	1.8
131.03520	3.6
134.03728	1.4
136.01697	1.9
139.07648	3.0
143.03503	1.4
149.04523	3.8
151.04027	2.0
160.04054	2.2
161.04555	1.4
165.05495	1.5
171.10316	1.3
173.04536	2.8
191.05579	6.9
197.11864	2.5
204.04196	1.2
209.11884	1.6
230.93953	1.3
249.07724	1.8
252.78262	1.5
278.46152	1.5
304.08282	3.0
316.05191	1.2
337.25458	2.5
369.24469	1.7
404.26068	1.1
447.00049	1.2
455.24020	1.5
468.38736	1.2
533.33508	2.0
551.35205	1.3
601.32391	28.9
602.32599	4.1
603.42590	1.4
617.38879	6.1
625.38110	16.6
626.38208	1.7
643.35638	1.2
661.36072	100.0
662.24530	1.8
662.36597	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	661.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03461	7.1
59.01390	7.6
61.98826	1.7
71.01383	11.5
71.10561	1.7
71.10898	1.3
72.99319	5.6
75.00883	45.4
83.01418	1.2
85.02959	41.0
87.00891	6.0
88.03841	1.1
95.01394	4.4
96.96023	1.5
99.00891	6.6
100.38994	1.1
106.42072	1.0
111.00835	1.4
112.01688	2.3
113.02464	26.5
115.00407	2.6
116.01173	1.3
129.01996	2.6
134.41374	1.1
137.83133	1.2
157.01430	3.1
175.02499	3.0
437.30704	2.9
439.32175	15.6
440.32678	2.2
457.33380	5.3
471.31110	2.2
526.33374	1.3
615.35449	69.3
616.35876	11.0
633.36499	46.2
634.36719	8.8
661.35944	100.0
662.36450	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06621	1.2
55.01874	2.4
55.70805	1.3
57.03447	5.8
59.01386	9.7
61.73651	1.3
61.98832	3.1
71.01386	11.0
71.55981	1.6
72.99319	7.5
73.02969	1.9
75.00884	40.7
76.09808	1.3
85.02959	38.3
87.00870	5.3
89.02473	1.7
95.01379	3.5
96.96010	2.4
99.00895	5.8
101.02462	1.9
103.00369	1.5
112.01673	1.8
113.02465	27.4
117.01946	1.9
125.56478	1.4
127.08807	1.3
129.01971	2.0
162.45187	1.3
175.02507	2.4
193.03522	3.7
280.50735	1.4
286.90274	1.6
294.99393	1.6
421.30948	1.6
437.30499	3.9
439.32132	15.5
440.32544	2.1
450.04169	1.5
457.32977	5.7
493.54663	1.3
528.64929	1.4
539.34357	1.4
615.35388	55.2
616.35840	8.6
633.36621	39.7
634.36768	5.7
661.35974	100.0
662.36322	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	661.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03232	0.4
57.03452	3.5
59.01384	6.1
61.50178	0.4
61.98820	1.5
67.01891	0.5
69.03432	0.4
69.33459	0.9
69.33865	2.7
71.01391	8.6
72.99309	2.6
73.02953	0.6
73.97919	0.4
75.00878	15.0
83.01379	1.0
85.02959	18.4
85.03474	0.9
87.00883	2.7
89.02452	1.3
93.03451	0.5
95.01380	2.1
96.95995	1.3
99.00880	3.3
101.02429	0.6
111.00932	0.4
112.01614	0.5
113.02455	13.5
115.00385	0.5
116.01170	0.5
117.01948	0.6
129.01968	0.7
134.99602	0.4
135.04547	0.5
137.62320	0.4
157.01378	1.3
165.46635	0.4
169.05655	0.4
174.54773	0.4
175.02492	0.9
190.35260	0.5
209.11713	0.5
280.88470	0.5
287.52228	0.4
453.30096	1.5
483.31366	0.6
485.32605	1.6
661.35956	100.0
662.36340	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	661.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03429	2.3
58.00593	0.6
58.13824	0.5
59.01123	0.6
59.01386	10.2
61.98818	2.6
68.99574	4.9
71.01016	0.8
71.01383	11.7
71.56715	0.6
72.99320	3.4
73.02924	2.3
75.00879	22.9
83.01390	2.1
85.02461	0.9
85.02958	17.7
87.00883	4.4
89.02458	4.2
93.03457	1.9
95.01375	1.8
96.96020	10.6
97.06568	2.2
99.00874	2.9
99.04547	3.5
101.02438	3.2
103.00314	0.6
104.69817	0.6
108.02164	0.8
111.00832	0.8
112.01686	0.6
112.98593	5.4
113.02461	10.7
115.00355	0.8
116.01141	2.5
117.01925	1.2
119.03488	1.1
125.02400	1.0
127.03987	1.3
129.01952	0.8
131.03532	0.7
135.04488	1.0
136.01631	0.6
137.02438	0.8
151.04036	0.8
157.01355	0.7
159.06624	1.2
161.02357	0.7
171.10182	1.3
173.04514	2.4
175.02452	1.0
177.05460	0.9
179.03551	0.9
191.05640	8.5
201.11429	0.8
209.11662	0.7
273.12332	0.8
357.13611	0.8
378.18417	0.6
405.28101	1.0
408.26352	1.2
440.50656	0.6
443.66202	0.6
455.24826	0.9
467.28076	1.4
543.30023	0.8
610.29773	0.8
625.34027	0.7
629.22870	0.9
631.28217	1.2
631.77917	1.0
643.37183	0.6
661.32111	100.0
662.32422	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67118	0.6
55.01874	1.3
56.50026	0.5
57.03429	2.2
59.01389	7.0
60.79346	0.6
61.98814	1.5
69.03445	1.4
70.60511	2.0
71.01392	12.7
72.99313	3.8
73.02934	1.5
75.00881	21.8
83.01391	1.2
83.05019	0.7
85.02957	17.4
87.00886	7.8
89.02438	1.6
91.55038	0.6
95.01373	1.6
96.95973	1.1
97.02943	2.8
99.00900	4.3
101.02425	1.7
102.98581	0.6
103.00336	1.4
103.61057	0.5
111.00907	0.6
112.01635	1.0
113.01738	0.8
113.02466	14.6
115.00336	1.9
116.01161	1.4
117.01966	2.9
121.02903	1.2
122.36930	0.6
126.28902	0.6
129.01878	1.1
130.99890	0.7
137.06085	1.2
173.04538	0.6
175.02402	1.7
191.05385	0.6
209.11583	0.6
293.40079	0.7
343.13745	0.6
467.27191	0.7
601.33136	1.3
661.32367	100.0
662.32764	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	661.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03429	2.3
58.00593	0.6
58.13824	0.5
59.01123	0.6
59.01386	10.2
61.98818	2.6
68.99574	4.9
71.01016	0.8
71.01383	11.7
71.56715	0.6
72.99320	3.4
73.02924	2.3
75.00879	22.9
83.01390	2.1
85.02461	0.9
85.02958	17.7
87.00883	4.4
89.02458	4.2
93.03457	1.9
95.01375	1.8
96.96020	10.6
97.06568	2.2
99.00874	2.9
99.04547	3.5
101.02438	3.2
103.00314	0.6
104.69817	0.6
108.02164	0.8
111.00832	0.8
112.01686	0.6
112.98593	5.4
113.02461	10.7
115.00355	0.8
116.01141	2.5
117.01925	1.2
119.03488	1.1
125.02400	1.0
127.03987	1.3
129.01952	0.8
131.03532	0.7
135.04488	1.0
136.01631	0.6
137.02438	0.8
151.04036	0.8
157.01355	0.7
159.06624	1.2
161.02357	0.7
171.10182	1.3
173.04514	2.4
175.02452	1.0
177.05460	0.9
179.03551	0.9
191.05640	8.5
201.11429	0.8
209.11662	0.7
273.12332	0.8
357.13611	0.8
378.18417	0.6
405.28101	1.0
408.26352	1.2
440.50656	0.6
443.66202	0.6
455.24826	0.9
467.28076	1.4
543.30023	0.8
610.29773	0.8
625.34027	0.7
629.22870	0.9
631.28217	1.2
631.77917	1.0
643.37183	0.6
661.32111	100.0
662.32422	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.01382	4.6
60.30655	0.4
69.32755	3.2
71.01385	7.8
72.99314	2.5
73.02951	1.5
75.00876	19.5
83.01392	0.8
83.05054	0.6
85.02959	11.2
87.00874	3.7
89.02466	0.9
95.01379	1.6
96.96014	1.4
99.00886	3.5
101.02448	1.1
106.04252	0.5
111.00869	0.6
113.02462	8.8
115.00372	1.5
116.01162	1.6
117.01946	1.1
121.06581	1.2
127.04000	1.2
145.06479	0.4
149.06078	0.4
157.01390	0.9
170.93346	0.5
171.08099	0.5
175.02481	1.2
177.12865	0.8
185.09682	0.6
187.11223	0.5
333.25818	0.7
337.44446	0.5
357.22156	3.0
375.23306	0.7
377.24738	0.8
387.26758	2.0
390.25510	1.0
405.28006	1.1
449.26968	0.9
467.27957	3.4
530.85986	0.4
533.33789	0.4
539.51367	0.4
661.32300	100.0
662.32562	13.9
681.87927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.2
59.01389	16.2
61.98803	3.1
68.99565	5.1
69.03429	0.9
71.01029	0.9
71.01388	13.9
71.04999	0.9
72.99311	3.5
73.02947	3.7
75.00879	21.8
78.95888	1.0
83.01382	1.9
83.04987	0.9
85.02483	1.3
85.02956	19.7
86.03270	0.7
87.00893	5.3
88.98801	0.9
89.02448	5.1
93.03444	1.7
94.83089	0.7
95.01350	2.1
96.96027	12.3
96.96918	1.0
97.06560	2.7
98.19937	1.7
99.00881	3.4
99.04535	4.7
101.02464	5.3
108.02152	1.1
111.04467	1.1
112.98589	7.5
113.02460	11.4
115.00340	1.5
116.01118	2.4
116.92828	1.0
117.01904	0.9
119.03461	1.1
121.06560	0.9
123.08143	1.1
125.02383	1.6
125.06059	0.8
127.03986	1.3
129.01936	1.3
131.03406	1.1
135.04494	1.1
136.01656	1.9
137.06110	0.9
139.07584	0.8
151.03932	2.9
159.06615	4.0
161.02373	1.2
161.04478	0.9
173.04483	1.9
175.02443	1.5
177.05540	1.2
179.05502	0.9
183.06554	1.9
189.12735	0.9
191.05614	10.5
195.06587	0.8
213.11336	0.8
230.92569	0.7
243.08641	1.6
273.12393	0.8
293.08820	0.9
303.10840	1.5
355.13748	0.9
357.13199	2.0
405.27692	1.4
408.26920	0.8
449.26944	1.3
455.24103	1.9
465.74823	0.7
467.27905	1.3
513.52551	0.8
543.29852	0.8
585.23358	0.8
610.29309	0.9
617.36499	1.0
623.28156	0.9
629.21906	0.9
631.28210	2.1
631.78558	1.3
632.29230	0.9
661.31891	100.0
662.32361	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94138	2.0
57.01563	1.7
59.01380	6.0
61.98834	2.5
67.01898	3.2
71.01378	7.7
71.54559	2.5
76.47908	1.6
78.95860	2.0
79.46935	1.7
82.88821	1.7
85.02955	8.1
87.00896	4.2
89.02427	2.6
93.03465	24.8
96.36575	2.1
96.96004	8.5
101.02443	4.1
109.02962	2.4
111.04520	5.3
111.78384	2.1
113.02470	2.0
127.04037	2.3
133.02928	6.6
134.03763	3.8
135.04536	76.4
137.02449	4.1
155.03496	5.2
161.02461	33.4
173.04553	100.0
174.04897	2.8
179.03500	77.6
180.03801	2.1
187.97411	1.9
191.05618	65.2
207.05119	2.6
229.42194	1.7
293.12320	8.5
307.08240	29.8
308.08640	3.3
312.36716	1.9
353.08786	81.7
354.09091	5.4
514.52600	2.4
596.64355	2.5
685.99609	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	659.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01374	3.4
61.98837	8.5
62.96421	0.8
69.41721	5.7
71.01384	2.6
73.02969	0.9
78.95911	100.0
80.02676	0.8
81.03481	1.8
83.01417	1.0
83.05029	4.9
87.00893	0.9
96.96975	9.0
101.02437	0.9
113.09656	1.0
125.02441	1.2
134.98537	1.6
135.08162	1.1
150.98070	1.1
151.00400	4.3
152.00911	1.0
152.99606	54.5
163.11288	3.1
165.12924	2.7
171.00522	0.8
178.99850	4.0
180.00310	1.6
181.12335	1.0
191.05748	0.8
191.10817	1.0
195.13884	7.8
209.11839	64.1
209.28267	0.8
210.12198	3.0
227.12883	8.0
229.60170	0.8
277.21768	10.3
278.22064	2.5
295.19452	1.5
295.22784	29.9
296.22964	1.9
363.12164	34.9
364.12598	2.6
381.13278	9.2
382.13486	1.2
400.63010	2.2
401.12885	2.6
401.63174	3.4
410.13535	3.1
410.63669	3.2
431.22025	17.4
432.22363	1.4
449.23178	4.9
528.18018	3.0
528.68323	1.5
529.18744	1.2
555.14575	0.9
577.27374	0.9
658.78961	11.5
659.35809	61.7
660.36084	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	661.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48973	0.4
59.01384	0.9
65.16188	0.4
70.86390	1.1
71.01401	0.5
73.98091	0.4
85.02953	6.1
87.00887	1.0
93.03445	2.4
96.96025	2.1
100.31499	0.4
109.02978	0.5
111.04499	0.8
117.69667	0.4
119.05078	0.4
127.03996	1.3
133.02972	1.7
134.03690	0.9
135.04538	19.4
136.04887	0.8
137.02347	0.5
155.03452	0.5
161.02437	2.3
169.40263	0.4
171.03127	0.5
173.04524	1.7
177.01910	0.6
179.03508	20.8
180.03845	0.8
191.05624	100.0
192.05956	3.8
230.13148	0.5
307.08273	10.7
308.08514	0.5
324.75452	0.5
337.61145	0.4
342.42978	0.5
353.08777	12.7
354.09094	0.9
356.33658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.359
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
57.03440	1.0
59.01392	3.4
61.98845	3.7
65.08410	0.7
65.48471	0.7
66.07819	0.7
69.87158	3.7
71.01392	1.1
78.95912	100.0
80.02682	1.0
83.05036	2.9
96.96977	8.6
99.27754	0.8
113.09743	1.8
134.98552	1.8
141.01691	1.6
150.63503	0.6
151.00377	1.2
152.99603	60.1
153.99944	1.6
163.11337	0.9
165.12877	1.2
171.00581	0.8
179.14363	0.6
191.05606	1.2
195.13918	12.4
203.48221	0.7
209.11848	30.0
210.12178	1.3
227.12938	4.0
277.21747	12.1
278.22095	1.4
295.22809	47.9
296.23087	1.9
363.12146	13.7
363.16309	1.2
364.12488	1.0
381.13245	2.5
409.63190	0.9
410.13806	0.8
431.22070	27.4
432.22385	2.5
449.23102	11.7
450.93402	0.8
475.96100	0.7
528.68414	1.4
544.17853	0.7
599.01996	0.7
658.79340	1.5
659.35736	66.1
660.35999	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51004	0.7
55.01874	1.0
57.03432	1.3
59.01151	0.7
59.01385	7.3
63.29698	0.6
64.05199	0.7
69.94626	3.2
71.01382	6.1
73.02930	1.4
80.02663	1.6
81.03479	1.5
83.01398	0.8
83.05028	4.4
85.02951	2.0
87.00867	1.4
89.02452	4.7
95.05048	1.9
97.06586	4.4
101.02441	5.3
101.63176	0.7
113.02458	3.4
119.03477	1.3
125.02456	2.1
151.11290	17.4
155.61653	1.0
161.04546	1.8
163.11259	3.3
165.12836	2.2
169.12355	78.9
170.12669	2.7
173.04543	1.0
176.47194	0.8
191.05655	3.8
195.10280	3.0
196.43002	0.8
197.11671	1.0
204.81812	0.7
209.11836	59.9
210.12143	2.6
213.11360	13.6
227.12917	7.4
235.08250	1.3
253.09332	4.0
255.19081	0.7
431.19308	3.5
438.40097	0.8
445.21014	1.1
449.20282	9.1
450.20108	1.0
454.81155	0.8
461.19553	0.9
616.35223	0.9
617.33270	0.9
641.32037	2.2
659.32880	100.0
660.33167	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	659.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.02787	0.7
60.76163	0.7
61.98840	5.2
64.19990	0.7
69.93613	0.7
71.01412	1.5
74.52955	0.7
78.95943	1.4
82.49787	0.6
85.02958	1.7
87.00875	0.7
89.02498	1.2
93.03480	2.4
96.96023	12.2
96.96980	1.5
102.94527	0.7
113.02472	0.8
120.43553	0.9
123.00890	0.9
125.02509	1.7
131.03563	0.9
133.03012	1.1
135.04561	2.1
137.02480	4.9
152.04823	1.6
161.02518	1.7
165.01942	13.3
173.04561	2.0
177.05602	0.7
179.03545	10.7
180.04320	9.2
181.05084	2.7
191.05603	8.5
193.08784	1.1
194.05885	3.2
195.06639	16.9
196.07443	2.4
210.03665	0.7
210.05252	3.3
211.09760	3.9
212.06854	3.9
213.42474	0.7
220.15244	0.7
225.07713	21.4
226.07932	1.0
227.09276	8.3
272.06445	0.9
339.05194	1.6
359.11536	2.9
374.13782	6.2
389.16077	29.0
390.16626	2.6
419.17145	1.0
437.18201	28.9
438.18658	2.3
535.15582	0.9
659.21716	1.2
659.36249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27801	1.8
51.83744	2.0
59.13760	1.9
61.98858	1.8
63.02174	1.8
73.51029	1.8
88.00895	1.8
96.82335	2.1
96.96019	2.1
122.77386	1.7
151.00418	1.9
180.08386	1.7
243.02975	19.9
244.03366	2.8
255.03076	10.1
256.03134	1.9
257.04422	2.1
258.96704	2.0
271.02512	32.2
272.03003	3.2
285.03925	5.0
299.01910	25.2
300.02802	25.6
314.04367	35.0
315.05106	66.7
316.05197	3.0
384.57620	1.8
444.90619	2.2
567.34290	2.5
623.16174	100.0
624.16656	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	659.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26029	0.7
59.10126	0.7
60.18905	0.7
67.01891	2.0
69.46545	5.5
71.01395	1.3
72.18372	0.8
85.02957	7.4
87.00865	3.3
93.03466	13.2
95.05026	1.2
98.20721	1.5
101.02464	0.7
105.03460	2.6
107.05013	1.4
109.02961	8.7
111.04506	3.3
115.41309	0.8
127.04012	2.2
133.02979	18.8
135.04527	9.1
137.02438	1.3
138.05580	1.6
150.03163	0.9
157.02956	1.0
159.04495	3.2
161.02477	7.0
173.04564	7.3
177.01978	5.5
179.03539	6.2
185.02473	1.6
191.05638	100.0
192.06012	2.0
203.03429	2.2
215.05675	9.8
229.01399	4.4
267.06577	1.2
277.04889	1.7
295.06192	5.5
305.11478	1.0
307.08282	2.0
321.03888	2.2
339.05081	14.6
351.07214	21.0
352.07565	1.3
353.08798	8.3
437.18033	2.0
441.36609	0.9
467.09702	7.7
661.02319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
57.29182	0.6
59.01389	10.2
60.98759	0.8
61.98837	5.8
66.82771	0.7
71.01392	6.1
72.99342	0.7
78.95918	0.9
83.01419	1.0
83.05013	0.8
85.02976	2.4
87.00900	1.3
89.02464	3.5
93.03484	1.0
95.01409	1.1
96.96023	6.3
99.00847	0.9
99.04540	2.0
101.02467	2.7
111.04561	0.8
113.02462	2.0
119.03554	0.9
121.06583	0.8
122.03773	1.0
123.04527	1.0
125.02462	1.0
125.06134	1.1
135.04527	4.0
136.05316	33.8
137.06116	1.6
137.09756	0.7
139.03966	0.7
148.05370	1.1
149.06100	7.2
150.06905	3.3
151.00430	0.8
151.07698	1.8
155.10649	0.7
161.02490	0.8
162.06891	2.8
163.07742	1.3
164.04800	0.7
164.08466	3.6
165.05661	0.8
165.09224	14.5
165.10533	1.3
173.04590	2.1
179.03459	0.7
179.05682	0.8
179.07088	1.6
191.05635	3.2
209.12059	0.7
257.13101	0.9
283.22845	1.0
301.11804	0.9
329.23282	6.7
330.24011	0.8
388.78696	0.7
433.33163	0.8
434.30420	2.4
448.31973	1.4
449.32797	16.4
450.33273	1.4
476.31583	1.5
477.32358	2.7
494.32520	2.9
495.33362	25.2
496.33664	2.5
613.36707	0.9
625.16217	0.8
639.34625	1.1
657.38696	100.0
658.39233	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	657.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01387	11.6
61.98837	1.4
63.26176	1.0
68.99569	1.7
71.01401	8.6
71.55850	1.0
81.03444	1.8
83.01379	1.3
83.05029	3.0
85.02958	2.7
87.00864	1.7
89.02457	4.6
95.01373	1.0
95.05056	1.6
96.96026	1.8
97.02950	3.3
97.06583	3.5
101.02451	5.2
109.06614	14.6
110.03671	1.1
112.35689	0.9
112.98569	2.5
113.02441	3.7
121.06621	1.1
123.08167	1.2
125.09740	1.6
131.03511	0.8
135.08141	1.3
142.02641	1.2
151.11293	14.8
161.04547	2.2
161.09627	1.1
163.11334	8.2
169.12358	66.7
170.12672	3.2
171.10240	1.7
173.04601	1.1
181.12439	1.3
185.11725	1.2
195.10222	3.0
207.08383	1.4
207.10278	26.6
208.10657	1.2
209.11845	9.7
210.12196	2.5
211.13368	3.5
213.11333	11.9
225.11345	13.3
226.11795	1.0
235.08250	1.8
253.09383	4.0
307.76437	0.9
359.22260	2.0
377.23257	2.6
418.29056	0.8
431.19394	2.5
449.20288	7.5
461.20251	3.7
619.38501	10.2
620.38696	1.1
621.39130	1.8
639.30597	8.2
654.41693	0.9
657.31219	100.0
658.31415	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	657.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83645	0.7
58.51596	0.6
59.01371	0.8
64.08559	0.8
71.01367	1.8
71.55378	1.4
75.11938	0.6
78.95916	2.5
82.72958	0.7
83.01383	0.8
85.02935	1.9
86.73978	0.7
93.03450	1.0
95.01417	1.4
95.14544	0.8
96.95996	1.6
96.96965	2.6
108.02185	46.6
109.02364	1.1
109.02979	14.9
118.19839	0.7
121.03030	0.7
123.04561	0.9
134.04716	1.2
135.04509	1.0
151.04013	0.9
151.12750	0.7
152.01169	47.4
153.01962	14.4
163.04036	1.2
165.01942	1.6
191.05650	1.5
216.92854	1.3
296.87842	1.2
310.30743	0.7
315.07245	100.0
316.07574	4.9
331.31778	0.8
405.15851	1.0
522.57019	0.8
639.87207	0.9
663.69818	0.8
688.41583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.8
69.79945	1.5
69.80361	2.0
71.01389	1.8
73.02950	0.8
76.38493	0.6
78.95913	0.7
85.02950	1.4
88.60739	0.6
89.02443	1.8
93.03470	2.1
95.01394	0.7
96.96020	2.3
98.20614	0.8
101.02470	0.7
109.02922	1.3
119.04962	0.9
121.02938	2.1
123.00881	1.5
124.01669	3.2
125.02479	1.1
135.04536	2.5
137.02466	1.6
138.03267	1.0
139.04041	4.9
145.02931	2.4
147.04581	0.9
151.00395	11.4
151.04024	0.9
152.01126	1.9
153.05582	1.8
155.03485	0.7
160.01726	1.0
161.02432	1.7
162.03065	0.6
163.04018	2.0
165.01961	0.7
166.02727	40.6
167.03331	3.0
167.53847	0.6
173.02470	2.8
173.04547	2.4
174.03207	2.2
175.04031	7.3
176.04640	0.7
177.01970	1.0
177.05605	1.9
178.06323	1.5
179.03514	1.6
180.96991	0.7
181.05081	60.2
182.02254	0.7
182.05350	1.7
188.04823	2.1
189.05565	2.7
190.06363	6.1
191.05637	9.6
191.07202	1.3
192.04295	0.8
192.05952	1.2
193.05057	5.3
197.04489	1.4
205.08693	6.6
207.06633	2.6
208.07401	5.8
221.06142	0.8
223.09773	15.8
239.07381	1.0
265.05020	1.2
267.06705	1.1
269.04492	2.3
284.06973	2.1
293.04697	1.3
297.04074	11.7
299.09216	1.0
309.07623	1.8
311.05444	3.9
312.06448	15.9
313.06879	0.8
327.08755	26.3
328.09125	1.3
342.11087	45.0
343.11340	3.2
357.13449	66.8
358.13840	5.6
372.12808	0.9
375.10156	1.3
375.14529	18.5
376.14938	1.0
387.14642	1.0
405.15561	100.0
406.15839	6.5
417.15598	9.4
435.16635	13.0
439.10229	2.3
465.08389	1.7
483.08957	0.9
567.20831	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	655.3698
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03453	1.6
59.01114	0.8
59.01389	11.5
61.57550	0.5
61.98837	5.4
69.43076	4.9
71.01387	6.9
73.02956	2.2
83.01411	1.6
85.02531	0.6
85.02945	4.0
87.00897	1.0
89.02450	3.0
93.03481	0.8
96.20904	0.6
96.96017	1.2
97.02919	0.8
99.04538	0.7
101.02451	4.2
104.58104	0.7
111.04552	0.9
113.02467	1.6
119.03513	0.6
121.06587	1.0
122.03732	1.3
123.04568	1.1
125.02461	1.2
127.01022	0.7
131.03477	0.9
135.04510	4.5
136.05319	38.6
137.02373	0.8
137.06053	1.8
147.08195	1.1
148.05258	0.9
149.04811	0.9
149.06087	7.1
150.06883	2.7
151.00421	0.7
151.07611	0.9
157.08682	1.1
162.06828	2.6
163.07623	4.7
164.08481	4.8
165.09219	17.8
169.12436	1.0
170.19353	0.6
171.10281	1.1
173.04602	1.1
176.08490	0.7
177.09180	1.6
179.03358	0.7
179.07126	1.2
191.05626	1.7
209.11815	3.8
211.13492	0.6
225.06656	0.6
247.70534	0.5
263.20227	0.7
281.21292	0.9
327.21753	9.9
332.20590	0.6
343.24741	0.9
429.29950	1.5
432.28943	2.4
446.30341	1.0
447.31210	13.8
448.31567	1.4
449.32834	1.6
455.74979	1.1
463.32770	3.6
475.31177	2.9
492.30835	2.9
493.31400	24.2
494.32065	3.0
556.43341	0.7
595.37122	6.4
596.37677	0.7
637.32629	0.8
655.37054	100.0
656.37354	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	655.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.70600	0.8
59.01382	13.0
59.25651	0.8
61.98840	1.7
69.03453	1.6
71.01398	4.9
71.56563	1.4
72.99303	1.0
73.02953	0.9
74.73370	0.8
78.95914	1.5
80.02674	1.0
83.05048	1.9
85.02952	1.3
89.02466	3.7
90.65672	0.8
95.05023	0.8
96.96013	3.4
101.02450	4.4
111.08222	1.1
113.02446	2.2
119.03474	0.9
129.21640	0.9
148.05295	2.7
161.04561	0.8
162.06888	1.3
163.07668	3.2
163.11282	2.4
165.12854	3.7
171.10254	2.6
181.12337	2.7
182.45502	0.9
182.53206	0.9
191.10829	6.2
209.11847	100.0
210.12186	4.1
227.12956	7.7
235.08229	2.4
247.13438	1.9
253.09338	5.0
355.94522	1.0
403.23093	0.9
445.20587	5.0
471.64722	1.1
475.34348	1.1
491.28546	3.4
493.35269	1.4
601.37274	1.8
619.38599	28.5
620.39185	4.7
637.34778	0.9
655.36493	15.7
656.37457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63802	0.4
57.03439	0.6
59.01384	5.0
61.98827	0.5
69.03436	2.4
71.01395	2.9
71.05053	0.5
73.02942	0.8
80.02684	0.4
81.03446	0.5
83.01409	0.4
83.05038	2.6
85.02950	0.8
89.02460	2.0
93.03494	0.7
95.05028	0.9
98.19917	0.6
101.02463	2.1
111.08167	0.6
113.02457	1.5
125.06182	0.4
125.09761	0.4
135.08177	0.6
140.86282	0.3
145.05058	0.4
147.11806	0.6
151.09366	0.4
153.09181	1.0
161.04573	0.7
163.07635	0.5
163.11292	2.6
165.09212	0.5
165.12860	3.2
171.10269	1.0
173.04575	1.2
173.09727	0.5
178.93825	0.4
180.34288	0.4
181.12352	3.7
191.10799	6.3
209.11838	100.0
210.12209	4.1
227.12904	8.7
229.10246	0.4
235.08330	2.4
247.13344	1.1
253.09299	6.2
351.11038	0.4
401.23172	0.4
427.19629	0.4
445.20764	5.3
446.21350	0.4
601.37543	1.1
602.34448	0.4
619.38635	12.3
620.38873	1.6
637.32269	0.7
655.35919	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	6.2
63.99475	1.5
63.99813	1.5
69.55782	8.3
78.95910	21.5
84.77527	1.5
96.96010	2.6
96.96986	2.2
109.06609	4.9
121.26059	1.6
131.78954	1.4
141.01717	63.2
152.99628	14.3
163.11322	1.7
207.10287	5.2
209.11823	4.6
225.11362	3.7
232.16563	1.6
239.95377	1.6
275.06192	3.3
277.21674	2.0
293.21188	5.3
315.90320	1.8
361.10535	6.6
391.19849	1.8
429.20532	4.9
434.61609	1.9
535.27545	2.7
655.32843	13.0
655.42493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.3
61.98825	5.6
69.29840	23.0
70.89286	2.6
71.01385	3.5
78.95892	6.3
92.15141	2.5
96.96027	14.0
98.20784	5.0
150.57037	2.5
152.99608	3.0
197.02206	8.3
209.11870	3.0
452.64728	2.6
453.33707	3.2
455.35327	100.0
455.41711	4.7
456.35553	9.0
471.34723	7.9
472.34958	2.7
473.36560	15.1
653.36871	26.2
654.35461	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11990	2.3
59.01380	10.3
60.17759	2.3
61.98824	4.7
71.01395	7.0
73.02967	2.4
85.02953	2.4
89.02451	6.7
93.03456	8.3
95.01389	7.5
96.96018	12.2
99.92608	2.8
101.02477	2.5
109.02949	4.2
110.00085	2.9
116.92888	17.4
123.00885	9.6
124.01745	2.5
125.02427	2.4
133.02957	8.6
137.02467	3.3
138.03265	4.3
139.00371	8.7
139.04031	3.4
147.04532	4.5
151.00395	3.5
153.01921	7.5
153.05589	3.1
159.04500	5.1
161.02513	3.4
163.03935	3.2
166.02705	8.8
173.04539	6.7
173.05878	3.4
175.03979	6.3
177.01971	4.7
177.05605	2.5
178.02715	3.3
181.05093	20.1
189.77213	2.6
190.06473	5.6
191.03864	3.5
191.05635	24.2
192.04277	4.0
193.05072	4.9
195.06610	3.0
203.03473	24.3
204.04242	2.8
205.05212	2.3
205.08667	7.4
207.06750	3.6
217.05037	4.5
218.05824	23.7
233.08214	28.2
234.05315	2.6
234.08629	2.7
235.06003	2.6
255.03004	2.9
351.07230	3.7
355.08279	3.8
358.10770	10.7
370.10437	7.4
373.12961	34.0
385.12955	40.4
386.13010	3.9
403.14133	6.2
415.13998	39.4
416.14453	4.4
418.12546	6.9
433.15042	100.0
434.15436	7.9
493.17523	11.5
595.20337	52.1
596.20544	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	653.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
61.98841	5.9
70.96107	2.4
78.95915	3.3
81.35313	0.8
92.75505	0.9
93.03464	0.8
101.02489	0.9
117.03453	2.3
119.05041	42.9
120.05356	1.3
126.81281	0.9
132.05768	1.5
145.02966	3.8
152.99619	2.7
163.04030	57.4
164.04344	2.9
207.10115	1.2
235.06357	0.8
255.23207	2.7
291.19904	1.1
336.10303	1.3
453.33795	21.1
454.34012	2.1
471.34628	0.9
473.35806	1.5
617.38519	100.0
618.38678	12.4
641.17798	1.1
653.31152	1.4
654.28265	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	653.3758
Annotation	all-trans-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
55.01869	2.3
57.03446	2.7
58.00588	1.6
59.01384	33.2
60.99306	0.9
61.95295	0.7
61.98832	3.9
69.03459	2.3
71.01386	36.0
71.56123	1.0
72.99306	2.9
73.02950	10.0
75.00868	0.9
81.03463	1.1
83.01407	7.1
85.02957	16.6
87.00880	3.7
88.98820	2.4
89.02451	14.6
93.03460	1.7
95.01392	2.0
96.96024	4.6
97.02954	1.5
99.00871	4.5
101.02452	25.5
108.02178	2.1
109.02936	1.3
111.00885	5.5
111.04523	1.1
113.02456	9.4
113.04488	0.9
115.04021	0.9
116.92867	0.8
119.03490	1.1
121.02957	2.3
123.04519	1.2
125.02477	4.0
129.01941	1.6
131.03535	6.2
134.03755	2.7
135.04559	1.2
137.02440	1.1
137.09721	1.5
143.03537	1.8
145.03027	1.1
146.03806	1.0
147.04533	1.3
148.05264	2.2
149.04559	2.7
149.05994	1.0
151.00378	0.9
159.02986	2.0
159.04420	1.4
161.04579	2.6
162.03259	0.8
163.04083	0.8
173.04567	2.6
173.11824	1.4
175.35738	0.7
177.05624	1.0
183.13965	0.8
185.15515	2.4
191.03755	0.9
191.05644	5.2
193.05086	1.3
195.06639	1.1
199.17093	0.9
201.14851	0.7
203.38576	0.7
229.18095	6.3
241.05063	2.8
241.07268	1.3
243.06647	2.4
256.07419	1.5
266.05743	1.2
267.06564	1.7
269.08212	1.0
271.09799	1.5
282.09094	1.4
283.09787	1.9
293.08994	1.2
297.11392	1.8
309.07718	1.3
310.08432	1.0
325.10782	1.2
359.28003	5.3
391.23340	6.5
403.12616	1.2
503.32376	5.9
510.28540	0.8
521.33325	38.7
522.33740	4.2
523.27740	2.4
527.29144	0.9
623.36804	1.0
653.19702	20.5
653.37610	100.0
654.19312	3.4
654.37909	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	653.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
62.96416	0.6
69.25697	2.6
72.52343	0.3
78.95910	100.0
86.49526	0.3
89.73895	0.3
96.96976	1.7
149.00110	4.5
152.99609	6.3
171.10292	1.0
182.87515	0.3
199.09796	0.6
205.16035	1.8
207.10228	0.5
209.12036	0.4
255.23303	7.9
256.23666	0.4
277.21655	0.6
281.38367	0.3
285.12619	3.7
327.38242	0.3
355.16702	2.2
361.10513	0.4
379.11737	0.4
385.17923	0.8
391.22531	1.7
409.23669	0.8
417.12360	0.4
447.13455	4.8
448.13834	0.4
537.40485	0.4
563.33435	1.0
635.35657	0.4
653.30096	48.7
654.30383	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	653.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52780	0.9
56.78518	0.8
57.03434	2.0
58.00587	1.7
59.01384	50.8
61.98820	5.7
63.12504	1.0
67.69755	0.8
69.37944	2.3
69.38355	4.7
71.01012	1.5
71.01385	25.6
72.99314	2.6
73.02959	4.5
78.95891	1.1
83.01389	5.3
85.02949	6.6
86.38766	0.8
87.00873	2.8
88.98788	2.3
89.02445	19.4
93.03471	1.7
95.01395	2.2
96.96030	7.4
99.00852	1.6
101.02447	16.3
101.71185	0.8
107.04998	1.0
109.02925	1.2
111.00870	2.4
113.02460	9.2
116.92902	2.1
119.03498	8.1
121.02964	1.2
125.02454	1.3
131.03459	2.1
134.03787	1.2
135.04485	2.0
136.61963	0.9
137.02498	2.1
149.02448	12.0
149.06114	1.5
150.03145	0.9
152.04767	0.9
161.04585	0.9
161.09717	2.3
161.13380	1.2
164.04790	13.3
165.05498	1.3
167.03494	1.9
171.04509	1.0
173.04544	2.3
179.07144	12.0
180.07394	1.1
182.05832	3.3
183.06412	1.2
187.11246	4.0
189.09210	2.4
191.05615	8.4
197.08208	3.7
205.12119	1.5
205.37935	1.0
207.10303	0.9
223.06151	2.8
223.13321	1.7
235.06158	1.3
241.07169	1.4
243.02870	0.9
249.11340	1.7
267.12381	1.9
271.02438	5.6
291.12244	0.9
299.01965	13.4
361.19080	0.9
391.23212	1.0
411.16724	4.6
465.80441	0.9
521.33185	2.1
549.89178	0.9
591.24420	3.6
593.31989	2.3
609.25854	2.2
618.36401	1.1
623.23480	1.6
635.23315	1.5
635.33118	1.7
653.33942	100.0
654.34467	10.5
681.79706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4117
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
59.01385	12.7
61.98828	3.4
71.01393	14.6
78.95895	4.3
85.02940	2.8
89.01936	1.8
89.02450	21.1
91.26357	1.2
96.95995	3.2
97.06567	1.6
98.19766	2.4
101.02445	9.1
113.02451	5.1
119.03524	5.0
127.73215	1.3
131.03537	1.2
131.24162	1.1
139.54919	1.3
143.03497	2.5
143.30768	1.5
160.84187	1.7
161.04567	3.7
162.83876	2.2
167.39088	1.4
178.95036	1.5
179.05605	12.0
184.20192	1.5
255.23232	2.2
391.30289	3.0
392.54462	1.3
405.31500	2.2
407.33087	5.2
440.85562	1.4
441.33633	1.9
451.32321	6.9
453.33755	37.4
454.34125	4.7
471.34839	100.0
472.35114	11.7
508.97037	1.7
553.35101	5.1
559.79541	1.4
593.27057	1.6
625.47577	1.3
651.29144	1.5
651.39325	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	651.4118
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
53.15465	1.0
59.01381	15.8
61.98828	4.6
69.31375	1.0
71.01385	19.4
71.56538	0.9
72.99314	1.2
78.95917	2.3
85.02959	1.6
89.02452	26.5
96.96024	3.0
101.02454	8.5
113.02454	6.5
119.03511	3.0
125.02477	1.1
131.03441	1.2
143.03502	2.4
149.04488	1.3
152.99625	1.4
161.04556	2.7
166.82695	1.0
173.86896	1.0
178.94954	1.6
179.05626	12.6
195.16333	1.0
209.11870	1.3
255.23358	1.4
279.55313	1.1
362.77191	1.0
386.97012	1.2
471.34821	100.0
472.35309	11.2
553.35004	4.3
609.28461	1.1
651.40295	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	649.3975
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
57.03448	1.7
58.00599	2.6
59.01385	61.9
60.99319	1.2
61.55941	1.2
61.98823	3.7
65.50536	1.4
68.88124	1.3
71.01393	40.1
71.05026	25.6
71.56393	2.7
72.99317	5.5
73.02950	4.1
83.01384	2.8
85.02934	8.8
85.41295	1.2
87.00864	3.8
89.02452	46.0
90.92799	1.3
95.01404	3.5
97.06590	1.3
101.02447	28.3
112.98624	1.4
113.02463	18.6
113.33134	1.4
116.92820	2.9
117.05598	5.3
119.03512	24.2
125.02473	1.4
131.03545	2.0
133.02979	1.5
143.03525	4.6
149.04568	1.9
161.04573	4.4
163.40057	1.3
173.04488	1.6
177.01950	12.3
179.05629	15.4
191.05736	1.3
249.46994	1.3
273.26563	1.3
351.26984	3.0
353.28555	3.4
425.34338	3.4
469.33386	14.0
470.33795	2.3
487.31796	2.2
521.30396	1.4
649.39722	100.0
650.40259	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	651.388
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61322	0.7
61.80695	0.6
64.75582	0.8
69.31926	0.8
69.42742	5.8
78.95908	100.0
83.05040	2.0
96.96970	8.2
107.74255	0.7
134.98564	1.6
152.99594	58.1
153.99916	1.2
163.11340	2.6
165.12827	1.0
169.12300	0.9
209.11842	30.3
227.12921	5.2
255.23294	80.6
256.23630	4.2
363.12167	6.5
381.13083	0.8
391.22534	20.7
392.22934	1.1
395.14664	5.2
409.23575	9.7
605.34387	1.2
619.36121	48.6
620.36383	5.2
651.38739	19.9
651.48938	1.5
652.39075	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.396
Annotation	Arjunetin
Peak:m/z	Relative Intensity
57.03435	0.8
59.01371	2.5
61.98825	1.7
71.01389	3.5
78.95911	2.3
87.46725	0.9
89.02438	3.6
96.96008	2.2
101.02453	3.6
113.02400	0.9
119.03481	1.0
160.84122	1.4
162.83919	1.6
179.05681	2.1
207.86266	1.0
229.96964	0.9
260.52594	0.8
407.29306	1.4
423.26883	1.4
423.32697	28.6
424.32965	4.8
425.34122	5.5
469.33246	100.0
470.33759	11.2
551.33380	1.9
606.42993	0.9
649.39063	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	649.3964
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01880	0.5
57.03445	0.4
58.00599	2.0
59.01384	36.5
60.01724	0.4
61.98832	0.7
71.01388	23.4
72.99326	2.1
73.02955	1.3
81.04006	0.4
83.01403	1.6
85.02959	5.7
87.00893	0.9
89.02453	22.3
90.02805	0.5
95.01398	1.4
98.19937	0.8
99.00879	0.4
101.02452	15.1
112.80339	0.4
113.02458	7.7
114.02785	0.5
116.92819	0.7
119.03503	8.7
131.03525	0.5
143.03496	0.9
144.41699	0.4
149.04562	0.5
153.17203	0.4
161.04576	0.8
179.05594	1.6
191.05496	0.4
191.66473	0.3
239.75439	0.4
331.11865	0.4
469.33246	6.5
470.33749	0.9
649.39587	100.0
650.39893	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	649.395
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01874	0.8
57.03442	0.8
58.00585	0.3
59.01386	5.9
61.98837	0.8
69.22935	2.3
71.01389	6.9
71.05034	0.3
72.94094	0.2
72.99302	0.9
73.02948	1.9
75.00882	2.0
78.95892	0.3
82.43526	0.2
83.01382	1.5
85.02960	5.7
85.50233	0.2
86.03243	0.2
87.00881	0.8
89.02453	1.9
93.85331	0.2
95.01396	1.1
96.96021	0.5
99.00884	0.8
101.02451	5.7
113.02458	4.0
119.03528	0.6
125.02444	0.3
150.30092	0.3
159.02986	0.3
161.04584	0.6
169.05586	0.2
177.04137	0.3
244.33763	0.3
249.60039	0.2
259.05753	0.2
355.82547	0.3
437.30399	0.3
469.33224	1.0
477.72754	0.3
487.34326	3.5
488.34976	0.4
573.38153	0.3
589.37292	0.3
603.86169	0.3
631.38611	6.2
632.38818	1.0
649.39600	100.0
650.39954	15.0
661.89911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3962
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01869	0.4
57.03440	0.6
58.00582	0.2
59.01382	5.4
61.98828	0.9
71.01011	0.3
71.01392	6.0
71.05016	0.4
71.56823	0.3
72.99311	0.4
73.02955	2.1
75.00862	0.8
78.95903	0.3
82.20538	0.2
83.01395	1.5
85.02954	3.9
86.03333	0.2
87.00879	0.5
89.02455	1.3
95.01391	0.5
96.95998	0.5
99.00878	0.8
101.02456	5.5
113.02454	2.8
115.95442	0.2
116.92891	0.2
119.03482	0.5
135.18140	0.2
143.03505	0.3
159.02953	0.4
161.04549	0.7
179.05724	0.2
187.17963	0.2
193.71594	0.2
269.06464	0.2
312.16086	0.2
358.39655	0.2
393.63724	0.2
429.84073	0.2
450.25824	0.2
469.33325	0.6
487.34845	2.4
605.40973	0.3
613.31934	0.6
631.38531	8.9
632.38977	1.5
649.39600	100.0
650.39935	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	649.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56472	0.9
59.01384	21.4
61.98836	3.7
63.09924	0.6
65.85294	0.7
71.01382	6.4
72.99275	0.9
73.02939	2.0
75.00860	1.4
83.01357	0.9
85.02955	4.9
87.00883	1.0
88.21088	0.7
89.02443	4.9
93.03444	1.2
94.06630	6.7
95.05003	1.0
96.96001	5.5
101.02449	4.0
108.04520	2.4
109.02943	1.1
110.06107	8.1
113.02431	1.6
116.92793	2.4
119.03444	1.0
119.05068	0.8
120.07529	0.7
120.08192	7.0
122.06122	9.1
124.07637	0.8
125.02411	2.3
130.06546	1.4
136.07616	2.3
140.06245	1.0
140.07187	12.5
144.04538	2.0
145.64476	0.8
151.00369	1.0
152.07100	3.1
154.08743	4.7
161.04623	1.4
166.08630	1.1
173.04553	2.1
174.05617	11.3
177.01949	0.9
179.08310	4.4
186.12852	1.8
187.06454	1.0
187.13367	1.2
188.03445	1.2
188.14365	1.0
191.03394	1.2
191.05533	3.4
198.95966	0.7
201.11244	1.7
203.05867	3.5
209.11786	1.2
212.40276	0.8
213.10257	2.3
215.11880	1.1
229.78268	0.9
233.12825	3.3
236.09471	1.0
237.10364	4.2
239.08070	0.9
239.11777	2.8
245.12593	1.2
249.10298	1.0
251.11832	1.4
259.12115	0.8
259.14526	10.6
260.14758	1.2
261.13858	0.8
261.16074	10.3
262.16422	0.7
264.08893	1.4
265.09790	1.0
265.13284	1.2
277.09857	1.1
279.11206	2.7
281.09189	1.8
282.09927	2.4
283.10721	3.4
292.11945	1.6
293.12732	2.8
295.10748	0.9
301.11856	1.2
303.13425	1.0
305.15070	24.9
306.15216	1.5
311.10208	3.1
312.11319	3.3
313.11688	2.5
318.12521	1.3
320.17581	1.5
325.11880	2.1
331.13458	0.7
332.14117	1.2
343.12897	3.0
346.15289	1.7
347.68942	0.8
358.11880	1.6
360.17056	0.8
361.81601	0.8
363.15878	1.0
364.20496	1.1
372.13211	1.8
376.16702	1.1
388.16513	3.7
388.20624	1.1
389.21027	1.2
390.18188	9.0
391.18671	2.9
392.19516	2.2
404.16107	3.5
405.16370	0.8
414.18030	0.9
418.17685	10.4
419.18106	1.2
423.17688	2.6
432.19452	10.2
433.19608	3.2
446.16901	0.9
448.18512	1.0
484.77505	0.8
501.24680	2.3
505.28073	1.8
511.26999	1.8
513.25244	4.9
517.23993	1.0
527.22125	1.2
531.26282	10.8
532.26105	1.2
537.27002	1.2
537.77289	1.4
543.26068	1.1
555.26294	4.9
567.25916	1.0
573.27118	15.7
574.27216	2.7
599.24677	2.8
605.29382	2.0
617.26263	19.2
618.26239	2.8
631.27429	3.0
649.28448	100.0
650.28967	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	649.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06487	0.6
55.01884	1.5
57.03468	4.9
59.01381	4.7
65.85097	0.7
69.59209	0.6
70.48982	0.6
71.01385	5.3
71.56171	1.2
72.99294	2.9
73.02940	2.0
75.00490	1.2
75.00881	19.9
78.95914	1.1
83.01376	1.2
84.02161	0.7
85.02480	1.2
85.02962	23.1
85.11772	0.8
87.00865	3.0
87.25546	0.6
88.95872	0.7
89.02448	0.9
89.08179	0.7
95.01393	2.0
95.28714	0.7
96.01260	0.6
99.00880	3.6
101.02434	1.0
105.11355	0.7
112.01661	1.1
113.02465	17.6
115.00346	1.9
116.01108	0.8
117.01922	0.8
127.28617	0.7
150.59296	0.7
157.01370	0.9
159.27989	0.7
165.32307	0.6
175.02457	1.4
399.28922	0.7
402.79160	0.7
427.28418	1.7
453.30215	1.7
455.31738	3.4
473.32498	12.2
474.32706	1.2
573.36029	1.1
649.36078	100.0
650.36249	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	647.396
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
59.01376	1.6
61.98830	2.0
64.07722	0.8
69.95442	3.1
71.01463	0.8
79.09061	0.7
89.03959	1.9
93.94476	0.8
96.95969	0.9
98.20016	1.1
105.03419	0.7
117.03478	6.0
119.05029	0.9
121.02968	0.9
121.99485	0.8
133.02983	2.1
134.03758	87.0
135.04106	2.0
137.02425	1.8
147.04549	2.9
149.06093	6.6
151.00398	0.9
160.01668	3.7
161.02467	2.3
162.06921	1.6
162.84001	0.9
175.04030	1.9
178.02731	6.6
193.05067	64.6
194.05405	2.3
201.36429	0.9
209.11919	0.9
339.40588	0.9
453.33820	22.6
454.34302	2.3
552.27124	0.8
647.39545	100.0
648.39905	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	647.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.5
67.81011	1.1
69.35735	4.0
69.36160	3.6
71.01382	1.3
77.39872	1.1
78.95908	1.7
85.02934	1.5
85.84820	0.8
89.02445	1.0
89.03980	1.0
96.96005	1.1
103.99361	1.0
117.03486	4.2
126.39881	1.0
132.02180	1.2
133.02953	1.6
134.03757	73.2
135.04045	1.4
137.02444	1.8
147.04526	2.6
149.06096	6.2
160.01675	4.0
160.84244	2.1
161.02518	2.6
162.06866	1.0
175.04007	2.8
178.02747	3.5
179.31613	0.9
193.05069	61.6
194.05400	1.7
255.23267	1.9
320.19559	1.2
332.66528	0.9
391.30164	1.0
394.98767	0.9
453.33752	21.2
454.34027	2.3
647.39563	100.0
648.39966	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	647.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.62871	0.3
57.03458	4.6
59.01385	5.6
61.98832	0.7
67.01893	0.6
68.99558	0.9
71.01391	4.9
71.04969	0.3
71.55050	0.3
72.99310	2.1
73.02956	0.6
75.00880	22.7
83.01385	1.4
85.02958	21.8
87.00874	1.8
89.02459	1.2
93.03473	0.4
95.01390	2.9
95.93413	0.4
96.96022	3.4
97.02953	0.6
97.06580	0.6
99.00887	1.8
99.04569	0.3
101.02451	0.9
111.00907	0.4
112.01674	1.6
112.98592	1.0
113.02469	11.4
115.00376	1.0
116.01172	0.5
116.92887	0.7
117.01941	1.0
125.02499	0.3
129.01929	1.0
134.03709	0.3
135.04584	0.5
139.00336	0.4
141.01657	0.4
157.01425	1.1
161.02489	0.3
173.04579	0.3
175.02475	1.0
179.03500	0.4
190.50485	0.3
191.05614	0.7
368.25790	0.3
469.33124	0.6
471.34805	6.8
472.35123	0.8
525.35614	1.4
571.36475	2.9
572.37030	0.4
629.36884	0.6
647.38062	100.0
648.38379	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	647.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.0
59.01389	11.1
61.98831	2.7
63.31496	1.0
65.85218	0.8
67.82520	0.9
71.01395	7.8
71.56482	1.0
71.56876	0.9
72.99314	2.4
73.02943	2.1
73.23661	0.8
75.00878	16.0
77.49701	0.8
78.95928	1.4
85.02962	20.2
85.96170	0.9
87.00908	1.7
88.21999	0.8
89.02441	2.5
93.50705	0.8
95.01409	2.9
96.96017	3.4
99.00895	2.2
101.02452	2.8
110.02466	1.1
112.01695	1.5
112.98544	1.1
113.02458	10.6
116.01165	1.0
116.92867	1.6
117.01962	1.4
119.03468	1.1
122.39396	1.0
125.02442	1.4
127.52015	0.8
141.01720	1.7
152.03474	1.3
157.01437	0.9
161.02347	1.0
161.04552	1.1
166.03055	0.9
181.08740	1.6
191.05640	1.3
209.11787	1.0
301.12021	1.1
319.13239	1.3
469.33337	1.2
471.34622	6.5
473.90305	1.1
525.35925	1.0
529.25055	1.0
571.26654	1.3
571.36688	3.5
615.24231	1.7
647.38123	100.0
648.27863	1.3
648.38367	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	647.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49049	0.4
55.01866	1.2
57.03453	4.3
59.01387	4.5
61.98829	0.7
67.01877	0.6
68.99841	0.5
70.28089	0.4
70.55556	0.4
71.01397	4.3
72.99307	1.6
75.00881	22.2
83.01392	1.3
85.02960	22.2
87.00876	1.6
89.02453	0.5
95.01401	2.5
96.96019	4.7
98.19912	1.8
99.00902	2.1
101.02423	0.5
103.00366	0.5
112.01673	1.3
112.98558	0.6
113.01727	0.8
113.02464	11.2
115.00335	0.7
116.92878	0.5
117.01967	0.7
125.02402	0.5
129.01939	0.8
136.98112	0.4
157.01418	1.1
173.04608	0.6
175.02548	0.7
195.74623	0.5
201.11218	0.5
229.68289	0.5
243.06535	0.6
453.33212	0.5
469.33005	0.7
471.34720	6.0
510.00131	0.5
525.35828	1.5
571.36353	1.9
647.38055	100.0
648.38397	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	647.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03454	4.5
59.01383	4.5
68.99810	0.9
69.29290	1.6
69.29716	1.5
71.01390	3.9
72.99326	2.2
73.02944	0.7
75.00880	25.1
83.01396	1.2
84.02131	0.5
85.02956	22.4
87.00864	1.3
94.22701	0.3
95.01388	2.9
96.96022	3.0
97.02934	0.6
98.20692	0.7
99.00899	1.7
101.02427	0.5
112.01645	1.4
113.02463	13.0
115.00391	0.5
116.01169	0.7
117.01930	1.0
120.90610	0.4
129.01932	0.8
133.02989	0.4
135.04527	0.6
157.01448	1.2
161.02457	1.6
163.93486	0.4
175.02507	0.6
179.03529	1.0
191.19527	0.5
228.71443	0.3
323.07675	1.4
400.12973	0.3
453.33160	0.4
459.73630	0.4
469.33188	1.0
471.34808	4.4
472.35126	0.6
525.35986	1.2
527.33661	0.5
536.26361	1.8
536.76324	0.9
543.37213	0.4
553.24103	0.5
571.36475	2.2
615.24390	0.6
617.28925	1.5
617.78540	0.6
629.36938	0.5
647.38031	100.0
648.38379	13.9
656.20264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3806
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01883	0.9
57.03452	4.1
59.01384	6.1
61.98825	1.5
66.20708	0.6
67.01907	0.7
68.99817	0.8
69.03458	0.8
70.59709	0.8
70.60017	0.7
71.01383	6.6
72.99294	3.2
73.02969	1.2
75.00879	24.7
83.01394	1.2
85.02960	22.3
87.00906	2.4
89.02415	1.2
91.80605	0.5
95.01402	2.3
96.96024	2.5
99.00889	2.5
101.02476	0.8
113.02455	9.9
115.00406	0.8
116.01177	2.0
116.92904	0.6
117.01955	1.1
125.02444	0.5
129.01984	0.7
131.03514	0.8
135.04546	0.5
153.32701	0.5
157.01424	1.2
161.04521	0.6
173.04634	0.7
211.23074	0.5
215.11841	0.5
263.54242	0.5
471.34915	3.8
536.76929	0.8
562.71606	0.6
571.36511	3.0
585.38110	1.8
647.38123	100.0
648.38422	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	647.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03453	3.9
57.79869	0.3
59.01390	2.8
67.01911	0.5
71.01391	6.1
72.99323	1.9
73.02930	0.4
75.00883	17.1
83.01400	0.7
85.02961	19.5
87.00886	2.9
89.02451	0.6
95.01386	1.6
99.00900	2.4
112.01673	0.6
113.02467	11.8
113.03278	0.6
115.00349	1.0
116.01117	0.3
117.01933	0.9
129.01945	0.6
138.06685	0.3
154.55975	0.3
157.01451	1.2
173.63254	0.3
175.02464	0.7
218.46523	0.3
229.39267	0.4
243.31026	0.3
392.93561	0.4
394.69943	0.3
423.32663	0.7
437.30444	0.4
439.32272	1.6
451.32141	0.5
453.33542	0.8
469.33026	0.8
471.34982	7.3
472.34912	0.7
527.33612	0.5
557.10175	0.4
571.36670	0.8
647.38055	100.0
648.38452	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	647.3804
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
50.40997	0.3
55.01881	1.5
57.03461	4.0
59.01384	2.2
59.18075	0.3
68.99838	0.5
70.27910	0.8
70.28275	0.7
71.01385	5.0
72.99303	1.2
73.02945	0.9
75.00877	14.4
83.01373	0.8
84.02174	0.4
85.02959	21.6
87.00896	1.9
95.01402	2.1
99.00874	1.7
99.98203	0.3
112.01673	0.8
113.02460	13.6
115.00379	1.2
116.01154	1.3
117.01915	0.5
127.53105	0.3
129.01950	0.9
157.01389	0.8
175.02557	0.4
183.52159	0.3
193.60616	0.3
195.10759	0.3
196.35950	0.4
196.57379	0.4
201.61050	0.3
209.83070	0.4
242.45445	0.3
263.78314	0.4
423.28888	0.6
439.32230	0.5
453.33762	1.1
469.33218	1.2
471.34842	11.7
472.35220	1.3
571.36523	1.6
605.49469	0.4
647.38025	100.0
648.38434	14.2
655.86646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03462	5.1
59.01368	2.3
65.49815	0.6
67.01882	0.7
67.87875	0.7
68.99820	1.5
69.03445	0.8
70.83531	1.0
71.01388	4.5
72.99323	3.3
75.00879	28.9
83.01384	1.3
85.02960	25.1
87.00877	2.6
95.01399	3.1
99.00887	2.4
112.01662	0.7
113.01737	0.9
113.02464	14.5
116.01149	1.0
117.01862	0.6
127.22462	0.5
129.01938	1.1
157.01396	1.0
453.33887	1.4
469.33301	0.7
471.34842	3.9
525.35883	1.3
526.66321	0.6
553.35547	0.6
571.36548	1.2
585.38019	0.6
629.36560	0.7
647.38049	100.0
648.38324	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	647.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09071	0.6
55.01869	1.2
57.03456	3.4
59.01366	1.9
60.09747	0.6
69.99747	2.0
70.00166	1.0
71.01383	3.5
71.05019	0.8
72.99310	2.2
75.00877	21.7
80.23664	0.6
80.64584	0.6
83.01376	1.2
85.02956	18.5
87.00875	1.5
95.01394	2.0
98.20045	0.8
99.00874	2.0
111.01045	0.6
112.01668	1.1
113.02465	10.2
115.00377	0.8
129.01938	0.9
157.01363	1.3
175.02501	0.9
453.33844	0.9
471.34760	2.0
553.35468	0.9
555.36993	1.7
647.38043	100.0
648.38245	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	647.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49728	0.3
55.01868	1.1
57.03453	4.2
59.01391	2.1
61.98822	0.5
67.01888	0.6
68.05608	0.3
68.99821	0.5
70.59640	1.0
71.01390	4.3
72.99310	2.2
73.02922	0.5
75.00877	21.0
79.70325	0.3
83.01388	1.0
84.02180	0.6
84.99771	0.3
85.02956	22.3
85.31303	0.3
87.00861	2.2
95.01371	1.9
96.96005	0.4
99.00880	1.4
110.26881	0.3
111.00897	0.5
112.01677	0.7
113.02458	14.5
115.00381	1.2
116.01192	1.5
117.01942	0.7
124.72820	0.3
129.01935	1.0
131.71339	0.3
131.72501	0.3
155.41542	0.4
157.01407	1.2
175.02489	0.7
217.17061	0.3
423.32639	2.6
453.33865	0.4
471.34814	6.6
472.34991	0.8
571.36682	2.6
647.38013	100.0
648.38336	12.8
668.76794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.6
57.03460	3.8
59.01384	2.2
67.01901	0.5
68.99810	0.4
70.40897	1.3
71.01383	4.9
72.99310	2.1
73.02969	0.4
75.00880	23.0
83.01377	0.9
84.02128	0.5
85.02961	19.8
87.00884	1.6
89.02432	0.4
95.01387	2.6
97.02937	0.5
99.00875	2.2
112.01643	0.9
113.02460	9.6
115.00369	0.7
116.01153	1.3
117.01910	2.0
128.83324	0.3
129.01933	0.9
157.01396	1.0
175.02452	0.9
239.16211	0.3
251.67700	0.4
271.22961	0.3
407.33307	0.8
423.32773	0.5
469.33096	0.7
471.34967	2.2
525.36005	0.8
571.36829	0.5
629.37866	0.6
647.38025	100.0
648.38348	16.3
648.47089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79033	0.5
55.01869	0.7
57.03449	2.9
59.01384	3.0
61.74532	0.5
61.98829	1.4
68.99815	0.6
69.39922	0.4
70.09753	1.2
70.10141	0.7
71.01391	6.0
71.05001	1.5
72.99299	2.1
73.02953	1.0
75.00877	18.1
83.01373	0.7
85.02960	13.2
87.00878	3.0
89.02450	0.9
95.01379	1.0
96.96007	1.9
99.00859	1.8
101.02444	1.9
103.00363	0.7
105.14044	0.5
113.01710	0.8
113.02454	9.1
115.00366	1.1
116.01191	2.9
117.01956	0.8
131.03532	0.5
138.17937	0.5
157.01395	1.1
191.05579	0.9
224.74776	0.6
248.97830	0.6
282.71716	0.5
374.17252	0.4
393.27979	0.6
441.30276	1.3
453.30069	7.8
454.30197	0.7
471.31210	8.7
472.31696	1.2
587.29919	0.7
588.94611	0.5
612.09167	0.5
647.34369	100.0
648.34698	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	647.3444
Annotation	Podocarpaside E
Peak:m/z	Relative Intensity
55.01871	1.0
57.03457	3.1
59.01379	5.3
61.98822	1.4
67.01884	0.8
71.01391	8.4
72.99309	4.6
73.02936	1.1
75.00878	24.2
83.01389	1.2
83.05036	0.8
85.02463	0.8
85.02957	14.4
87.00878	2.4
89.02427	1.2
95.01395	2.8
96.96004	2.1
97.02901	0.5
98.19950	1.2
99.00899	2.4
101.02438	1.0
103.00348	0.7
111.00815	0.6
112.01664	1.5
113.02465	8.2
115.00394	1.0
116.01127	1.3
116.92920	0.5
117.01918	1.4
127.61359	0.4
133.05112	0.5
144.84892	0.5
157.01433	0.9
160.84233	0.4
161.04594	0.5
169.75423	0.4
175.02405	1.2
191.05478	0.8
193.03496	2.1
201.28267	0.5
202.89493	0.5
311.58667	0.5
413.46457	0.5
419.93170	0.5
437.29797	0.5
441.29825	0.6
453.30008	2.2
455.31488	0.6
471.30923	1.5
513.32013	0.7
525.32080	0.8
553.31537	0.9
567.32477	0.6
571.33228	0.7
629.33276	0.7
647.34338	100.0
648.34619	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2047
Annotation	Caylin-2
Peak:m/z	Relative Intensity
51.04684	0.6
55.01878	0.9
57.03455	4.2
59.01387	21.8
67.01895	1.5
68.99824	1.1
69.03461	2.1
70.82615	0.6
71.01391	37.8
71.55192	1.1
72.99317	1.6
73.02966	4.4
78.95903	2.3
83.01409	4.4
84.02171	0.9
85.02958	24.7
87.00408	0.8
87.00891	8.2
89.02456	14.8
95.01396	3.0
96.96032	1.3
96.96957	0.8
97.02959	2.4
99.00922	1.1
101.02453	5.8
111.00895	2.6
113.02467	27.0
125.02487	0.9
129.01958	1.5
131.03510	3.1
137.02467	1.1
139.00385	0.8
139.04041	1.1
149.04617	1.1
151.06140	16.9
173.04591	4.0
181.70142	0.7
189.04037	1.2
191.05637	2.5
215.05565	1.0
245.06631	1.2
265.09265	3.1
283.10223	1.3
287.08002	0.8
397.13406	2.3
415.14499	0.9
452.10971	0.8
511.16455	1.3
529.18591	1.0
615.17700	2.1
647.20404	100.0
648.20691	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	647.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47414	0.3
59.01385	1.4
71.00783	0.8
71.01383	1.0
85.02955	5.3
87.00879	1.5
93.03471	2.6
96.96036	1.9
98.23161	0.4
109.02986	0.6
111.04517	0.6
127.04009	1.3
130.61107	0.3
131.07117	0.7
132.22374	0.3
133.02994	0.5
135.04553	2.7
141.13286	0.4
161.02446	1.5
171.02911	0.5
173.04550	1.9
174.85637	0.3
179.03520	2.6
191.05620	100.0
192.06029	2.6
217.98500	0.4
246.56706	0.4
293.12469	1.6
341.08871	0.7
353.08789	15.1
354.09067	0.8
401.79150	0.4
480.34415	0.4
492.12796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60687	0.5
52.89269	0.4
53.85540	0.4
57.03458	3.7
59.01389	1.8
61.97919	0.4
61.98837	1.3
71.01393	0.8
71.56349	0.7
72.48937	0.4
78.95920	1.0
87.00890	0.7
89.02469	0.6
93.03477	1.1
96.96039	5.1
96.96671	0.5
96.96945	0.8
98.95583	0.5
99.04525	1.0
101.02483	0.9
107.05039	0.8
111.04494	0.4
113.02443	0.7
115.37938	0.4
121.02965	1.5
125.02445	0.6
133.02939	0.6
134.03711	2.5
135.04539	90.3
136.04840	2.8
150.03221	0.4
161.02419	0.5
161.62915	0.4
165.01920	0.8
173.04535	1.3
177.01898	0.5
179.03513	100.0
180.03923	4.0
189.69496	0.4
191.05647	3.7
191.07225	0.6
195.06639	1.6
209.04524	0.9
305.08749	0.7
309.09637	0.7
341.08798	38.7
342.09030	1.6
383.05240	0.7
383.09888	10.2
384.10059	0.6
423.12854	2.5
429.09726	0.5
485.13193	4.0
503.14102	9.5
504.14316	0.7
528.43524	0.5
545.15125	3.0
585.18567	0.8
647.18225	8.0
648.18567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03453	5.9
57.43048	0.4
59.01392	2.3
67.01889	0.6
68.99818	0.5
69.38530	0.8
69.38940	1.9
71.01385	4.5
72.99329	2.4
73.05508	0.4
75.00880	27.2
83.01368	1.1
83.88435	0.3
84.02165	0.5
85.02959	23.4
87.00895	1.9
95.01401	3.1
97.02982	0.5
99.00875	1.6
112.01640	1.2
113.02466	12.4
114.02772	0.5
115.00385	1.0
116.01177	0.6
117.01948	1.0
127.52188	0.3
129.01935	0.4
157.01447	1.4
167.80908	0.4
175.02490	0.6
234.23648	0.4
409.31143	0.7
469.33243	1.0
630.83179	0.4
645.36475	100.0
646.36871	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.67347	0.7
57.03456	3.6
59.01386	6.7
61.98829	1.2
67.01896	0.7
71.01393	9.4
71.05038	1.3
71.55109	1.1
72.99316	5.3
73.02952	0.7
75.00880	19.8
83.01389	2.1
85.02457	1.4
85.02962	22.0
87.00889	2.4
89.02459	2.0
91.66201	0.6
95.01382	2.5
96.96023	2.3
99.00890	2.4
99.04482	0.6
101.02443	2.1
106.00410	0.6
108.08069	0.6
112.01678	0.6
113.02470	10.5
114.04259	0.6
117.01945	5.8
129.01944	1.5
130.24046	0.6
130.99936	0.9
149.04581	0.8
171.10237	0.8
191.05569	1.9
197.11816	2.7
198.12091	1.8
209.11913	3.3
210.12169	1.9
227.12712	0.7
292.51251	0.6
425.33957	1.1
467.31555	0.7
474.53708	0.7
585.29285	1.1
601.40308	1.0
627.35815	1.5
645.36523	100.0
646.36810	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	643.3495
Annotation	Antibiotic BU 3292TA
Peak:m/z	Relative Intensity
51.56789	0.2
55.01883	1.3
57.03453	5.1
59.01150	0.2
59.01389	2.7
67.01871	0.5
68.99821	0.6
69.03465	0.4
71.01384	5.9
72.99319	2.4
73.02956	0.4
75.00879	27.0
83.01379	1.2
84.02167	0.3
85.02958	22.9
86.03325	0.3
87.00883	1.6
87.20437	0.2
89.02436	0.5
95.01402	3.2
96.96051	0.4
97.02946	0.4
98.19766	0.5
99.00887	1.6
111.00877	0.6
112.01691	1.2
113.02458	11.9
115.00378	0.8
116.01147	0.8
117.01945	0.9
125.02475	0.6
129.01976	0.5
153.56845	0.3
154.76422	0.3
157.01495	1.2
175.02501	0.8
197.11816	0.7
227.95306	0.3
401.63690	0.3
423.32639	1.6
437.30844	0.3
477.33664	0.6
481.18515	0.3
481.49057	0.3
625.32965	0.4
643.34894	100.0
644.35199	15.0
644.46179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70066	2.2
56.48172	2.0
57.03443	4.3
57.54198	2.3
58.00597	3.1
59.01383	95.8
61.98838	18.9
67.01897	3.2
69.29832	12.1
69.30255	6.8
71.01385	76.8
71.01781	4.0
72.99306	8.1
73.02950	4.1
75.00867	12.3
78.95916	10.4
79.95745	2.7
80.53024	2.0
81.03450	2.4
83.01387	5.2
85.02952	21.6
87.00870	12.1
88.47208	2.3
89.02452	100.0
93.03462	27.6
95.01397	4.9
96.96017	91.6
96.96941	14.3
98.20683	4.2
101.02450	29.1
109.02922	5.4
111.04500	3.9
113.02459	35.3
116.92844	2.2
119.03505	38.0
121.02943	3.3
124.01675	11.0
125.02502	2.3
131.03465	5.7
133.02901	2.6
133.05099	12.1
134.03766	5.7
135.04520	8.0
137.02452	7.5
137.05989	2.5
139.04005	35.2
141.05640	2.2
141.92245	2.0
143.03477	9.3
149.04517	5.3
149.06084	4.8
150.03188	11.1
151.00346	2.3
153.05641	2.4
155.03473	2.8
158.18504	2.3
161.02376	3.0
161.04530	9.8
162.03174	3.9
163.04007	3.9
164.04729	3.5
165.01857	5.8
165.05577	11.0
168.02647	2.2
173.04567	21.0
174.03255	3.4
176.04851	2.1
177.01923	3.5
177.05573	4.4
178.02628	4.7
178.99823	2.2
179.03377	3.7
179.05640	49.5
179.07147	3.2
181.04919	4.3
189.05602	6.8
191.03780	3.5
191.05608	64.6
192.05954	3.5
193.01265	2.7
193.04990	6.4
195.06557	6.5
212.06888	3.1
214.38637	2.3
227.09204	4.1
265.05307	3.0
287.09247	3.8
303.08615	11.7
331.08270	53.7
332.08682	2.8
367.10181	2.6
375.14383	5.0
405.15503	2.8
645.20648	26.4
646.20544	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	643.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	98.7
60.01721	0.9
61.98829	1.2
63.45966	0.7
69.26667	0.8
82.64145	0.7
98.20684	1.5
102.88211	0.7
109.94335	0.8
118.96648	1.1
132.99112	1.2
134.97095	1.6
157.03561	5.2
159.01477	3.2
174.99252	21.8
176.98106	43.6
177.98311	1.5
179.57339	0.8
198.32332	0.8
200.93282	0.9
201.02563	62.4
202.02765	3.1
203.02213	0.9
214.23303	1.0
217.00304	100.0
218.00626	2.3
276.98239	2.1
343.03751	17.1
343.80118	1.0
344.03888	1.5
359.01480	82.1
359.50925	0.9
360.01706	4.8
501.02612	6.0
528.85626	0.9
551.52014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74824	0.4
57.03468	0.7
59.01389	4.4
61.78463	0.4
61.98858	1.1
69.03468	0.4
70.84544	0.4
71.01395	3.5
72.99360	0.5
73.02985	0.7
75.00897	0.8
78.95925	0.8
80.02706	1.1
81.03474	0.9
83.01409	0.8
83.05042	4.3
84.02206	0.7
85.02971	1.2
87.00879	0.6
89.02465	2.0
95.01434	0.7
95.05064	0.5
96.96027	4.9
98.20675	0.7
101.02449	3.1
108.04477	0.4
113.02480	1.6
119.03538	0.9
125.02438	2.5
125.06094	0.4
127.04047	0.5
135.08224	0.8
151.11241	0.5
152.99484	0.6
153.09212	0.5
153.12872	1.3
161.04558	1.2
163.11302	3.4
164.11725	0.4
165.12854	1.6
167.03502	0.4
169.12360	6.7
171.10277	0.9
179.05664	0.5
179.10802	0.6
191.05621	0.9
191.10750	0.9
194.52457	0.4
197.11852	100.0
198.12181	4.0
209.11847	94.4
210.12172	3.9
223.13461	0.6
227.12924	12.6
228.13188	0.7
235.08228	3.5
235.13432	1.1
247.38290	0.4
253.09319	8.3
306.98633	0.4
346.65256	0.4
371.21777	0.5
384.12387	0.5
389.23511	0.5
415.20038	0.5
433.20569	3.1
445.20544	0.7
481.18408	1.7
589.90845	0.4
604.92175	0.4
607.30414	0.6
625.32007	0.5
643.35077	1.7
644.34113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.3
69.42354	3.2
69.42755	8.9
78.95912	100.0
80.02721	1.5
81.03506	1.8
83.05034	5.9
86.33612	1.3
88.74429	1.2
96.96961	9.5
99.02771	1.3
109.79935	1.3
152.99602	65.6
163.11284	4.1
165.12889	2.7
168.51617	1.6
171.47021	1.8
174.62392	1.6
209.11839	74.9
210.12083	3.0
227.12997	11.0
277.21741	34.8
278.21988	3.1
363.12137	53.0
364.12384	1.7
381.13242	11.8
413.21045	10.2
431.22101	4.4
595.75305	1.6
641.34552	43.2
641.44745	3.0
642.34991	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	639.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45446	1.4
55.01890	3.6
57.03451	4.7
58.00607	3.2
59.01387	88.7
60.01708	1.8
61.98846	13.2
69.03479	1.6
70.94311	3.4
71.01388	79.8
72.99319	6.8
73.02967	20.8
75.00882	2.4
79.05663	1.5
81.03479	2.3
81.90084	1.3
83.01398	9.9
83.05014	2.4
85.02968	27.8
87.00880	7.0
88.98830	2.1
89.02457	56.5
90.16196	1.5
93.03474	2.9
95.01415	5.1
96.96016	5.8
97.02964	3.7
99.00892	19.8
99.04527	2.2
101.02457	52.2
111.00896	8.3
113.02454	24.1
115.00384	2.3
116.92876	4.6
119.03519	5.7
119.05021	2.2
121.02989	2.1
121.22369	1.3
123.04526	1.5
125.02464	7.7
129.01886	1.8
131.03529	17.9
135.04594	2.1
137.02481	2.2
143.03500	4.3
149.04559	26.5
152.18022	1.7
159.02930	2.4
161.04565	5.7
172.05287	2.4
173.04626	3.3
173.06012	3.0
174.03346	2.1
174.06842	3.3
180.01987	1.4
187.03975	4.0
187.07623	4.7
191.05644	18.4
197.50604	1.5
200.04784	2.4
201.05605	12.0
201.09164	3.0
202.06400	8.1
203.07143	6.6
207.13922	4.7
209.11888	3.9
215.07181	1.8
229.08679	7.4
230.09485	26.6
231.09906	2.6
233.06775	1.9
233.11838	3.6
251.07616	1.8
251.12968	2.3
269.13968	2.7
293.08728	2.3
299.26080	2.3
311.09869	2.3
345.30118	7.7
489.34576	7.6
507.35355	72.7
508.35846	6.4
541.19647	4.2
542.20123	25.3
543.20367	3.8
558.28125	2.1
608.77393	1.7
621.32343	1.8
639.40979	100.0
640.41162	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	639.3754
Annotation	Cilistol j
Peak:m/z	Relative Intensity
55.01880	7.4
57.03452	6.3
59.01386	52.0
61.98839	5.6
67.44063	1.5
71.01389	72.5
72.99294	4.1
73.02952	25.0
80.50887	1.5
83.01405	13.5
85.02956	40.3
86.00123	4.4
86.03275	1.9
87.00883	5.0
89.02461	20.8
92.84765	1.7
95.01405	5.5
97.02946	2.6
99.00890	16.1
101.02454	61.0
111.00896	4.7
113.02463	30.2
115.00450	1.8
116.92841	1.7
119.03491	3.0
123.04558	2.0
125.02442	4.4
129.01945	2.9
130.02408	1.6
131.03514	2.7
135.04523	18.6
137.02525	1.6
141.01961	1.9
143.03510	3.5
149.04530	8.1
151.03972	2.6
159.02995	7.9
161.04559	24.0
191.05656	9.0
201.05632	5.4
209.51772	1.5
229.08723	2.1
230.09459	10.2
308.09085	2.0
393.33826	2.3
433.33234	10.3
434.34070	2.1
542.20160	11.5
577.37201	2.9
595.38538	39.3
596.39130	4.6
597.36383	2.2
639.37671	100.0
640.37854	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	639.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45446	1.4
55.01890	3.6
57.03451	4.7
58.00607	3.2
59.01387	88.7
60.01708	1.8
61.98846	13.2
69.03479	1.6
70.94311	3.4
71.01388	79.8
72.99319	6.8
73.02967	20.8
75.00882	2.4
79.05663	1.5
81.03479	2.3
81.90084	1.3
83.01398	9.9
83.05014	2.4
85.02968	27.8
87.00880	7.0
88.98830	2.1
89.02457	56.5
90.16196	1.5
93.03474	2.9
95.01415	5.1
96.96016	5.8
97.02964	3.7
99.00892	19.8
99.04527	2.2
101.02457	52.2
111.00896	8.3
113.02454	24.1
115.00384	2.3
116.92876	4.6
119.03519	5.7
119.05021	2.2
121.02989	2.1
121.22369	1.3
123.04526	1.5
125.02464	7.7
129.01886	1.8
131.03529	17.9
135.04594	2.1
137.02481	2.2
143.03500	4.3
149.04559	26.5
152.18022	1.7
159.02930	2.4
161.04565	5.7
172.05287	2.4
173.04626	3.3
173.06012	3.0
174.03346	2.1
174.06842	3.3
180.01987	1.4
187.03975	4.0
187.07623	4.7
191.05644	18.4
197.50604	1.5
200.04784	2.4
201.05605	12.0
201.09164	3.0
202.06400	8.1
203.07143	6.6
207.13922	4.7
209.11888	3.9
215.07181	1.8
229.08679	7.4
230.09485	26.6
231.09906	2.6
233.06775	1.9
233.11838	3.6
251.07616	1.8
251.12968	2.3
269.13968	2.7
293.08728	2.3
299.26080	2.3
311.09869	2.3
345.30118	7.7
489.34576	7.6
507.35355	72.7
508.35846	6.4
541.19647	4.2
542.20123	25.3
543.20367	3.8
558.28125	2.1
608.77393	1.7
621.32343	1.8
639.40979	100.0
640.41162	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	639.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.79129	1.7
58.00598	3.4
59.01387	91.4
61.98828	2.7
71.01389	67.2
71.56430	2.4
72.99307	5.5
73.02959	23.6
74.30001	1.6
83.01392	3.6
85.02964	15.2
87.00854	3.0
89.02457	100.0
96.96017	3.8
97.02921	2.4
99.00896	43.9
101.01801	3.0
101.02460	53.7
103.00510	1.7
113.02465	12.6
119.03525	4.0
119.04987	3.0
125.02449	6.2
131.03531	18.1
135.04523	2.9
137.02495	2.0
143.03519	3.8
146.03757	2.3
149.04575	65.0
158.03734	6.1
159.04454	3.8
161.04546	4.7
167.89973	2.0
172.05336	6.6
173.04655	3.5
173.06076	10.8
174.03201	7.0
174.06879	3.7
175.07611	3.9
177.02039	1.8
182.17366	1.9
186.06854	5.6
187.03998	6.0
187.07660	18.8
191.05640	22.6
200.04761	2.5
201.05591	45.9
201.09225	10.5
202.06323	9.6
203.07109	17.9
209.11853	25.7
210.12172	11.2
211.12476	6.7
215.07054	4.4
221.06639	7.5
229.08754	20.2
230.09485	87.8
231.09869	6.0
251.07811	9.8
253.33315	1.8
293.08740	4.1
311.09760	5.2
340.98953	1.9
411.16608	3.3
465.24854	2.4
507.35391	2.9
540.62970	1.9
541.19110	7.1
542.20099	84.6
543.20636	10.8
595.38531	6.3
639.38416	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.79129	1.7
58.00598	3.4
59.01387	91.4
61.98828	2.7
71.01389	67.2
71.56430	2.4
72.99307	5.5
73.02959	23.6
74.30001	1.6
83.01392	3.6
85.02964	15.2
87.00854	3.0
89.02457	100.0
96.96017	3.8
97.02921	2.4
99.00896	43.9
101.01801	3.0
101.02460	53.7
103.00510	1.7
113.02465	12.6
119.03525	4.0
119.04987	3.0
125.02449	6.2
131.03531	18.1
135.04523	2.9
137.02495	2.0
143.03519	3.8
146.03757	2.3
149.04575	65.0
158.03734	6.1
159.04454	3.8
161.04546	4.7
167.89973	2.0
172.05336	6.6
173.04655	3.5
173.06076	10.8
174.03201	7.0
174.06879	3.7
175.07611	3.9
177.02039	1.8
182.17366	1.9
186.06854	5.6
187.03998	6.0
187.07660	18.8
191.05640	22.6
200.04761	2.5
201.05591	45.9
201.09225	10.5
202.06323	9.6
203.07109	17.9
209.11853	25.7
210.12172	11.2
211.12476	6.7
215.07054	4.4
221.06639	7.5
229.08754	20.2
230.09485	87.8
231.09869	6.0
251.07811	9.8
253.33315	1.8
293.08740	4.1
311.09760	5.2
340.98953	1.9
411.16608	3.3
465.24854	2.4
507.35391	2.9
540.62970	1.9
541.19110	7.1
542.20099	84.6
543.20636	10.8
595.38531	6.3
639.38416	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11899	1.7
58.00586	4.4
59.01385	74.0
63.24925	1.4
71.01387	69.0
71.38255	1.8
72.01724	1.9
72.99303	3.1
73.02962	23.5
83.01405	2.2
85.02953	8.9
87.00874	4.6
89.02451	100.0
95.01371	2.4
99.00884	39.5
100.25588	1.6
101.02452	42.0
111.00906	2.2
113.02480	11.0
119.03458	4.9
125.02435	7.4
131.03484	17.7
143.03499	3.8
149.04565	69.5
150.04915	2.0
158.03777	3.7
159.04465	4.7
159.08025	2.5
161.04529	3.3
172.05286	5.4
173.05998	8.3
173.09721	2.9
174.03204	7.5
174.06828	3.8
175.07600	3.3
178.99811	2.1
186.06892	3.6
187.03967	8.3
187.07657	22.1
188.08096	2.1
190.02504	2.0
191.05620	17.6
200.04807	4.1
201.05606	44.8
201.09251	11.9
202.06326	19.4
203.07129	24.8
215.07129	4.2
221.06581	6.1
229.08727	26.1
230.09486	98.1
230.59898	2.5
231.09927	7.7
251.07776	9.7
293.08698	4.6
311.09821	7.2
411.16513	3.0
431.80920	2.0
505.61917	1.8
507.34955	9.6
541.19238	13.0
542.20044	92.9
543.20587	9.0
571.04706	2.0
595.05835	2.4
639.38660	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	639.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89961	1.2
57.03441	2.0
58.00589	2.1
59.01386	52.2
60.55594	1.4
60.99310	1.3
61.98841	11.2
62.38111	1.4
65.61273	1.5
65.80434	1.2
71.01390	71.4
71.56583	1.4
72.99297	4.0
73.02959	21.5
73.33978	1.3
73.52269	1.2
75.00887	3.3
78.95882	1.8
83.01368	2.1
85.02952	6.8
87.00854	3.7
88.98800	6.0
89.02456	62.4
93.03457	2.8
94.03894	1.4
95.41071	1.2
96.96014	14.6
99.00892	58.7
99.92577	2.1
101.02450	25.0
111.00825	1.6
113.02496	7.0
116.92091	2.0
116.92873	23.9
117.01956	1.9
119.03499	3.2
125.02424	3.9
131.03557	8.3
135.04524	2.8
149.04575	21.3
161.02411	1.7
161.04550	4.4
165.05498	1.7
169.06441	1.5
173.04503	3.7
187.04002	2.2
187.07611	4.1
190.48528	1.6
191.05635	22.4
193.05002	1.6
201.05588	8.1
201.09167	1.8
202.06313	3.7
203.07133	3.1
216.00830	1.6
221.06514	2.1
226.09937	2.3
227.07091	3.1
229.08574	5.8
230.09483	15.5
243.13930	1.5
247.09637	2.4
251.07690	1.9
255.13905	6.7
299.16455	8.0
327.15927	4.3
335.71973	1.5
414.13034	3.1
459.27182	3.5
477.31973	2.0
528.27972	1.7
541.19409	2.5
542.20081	18.9
543.20441	2.6
567.24518	19.4
568.24500	1.8
594.23499	1.7
609.29810	2.0
611.26990	21.0
612.27032	3.1
621.25134	9.1
639.26324	100.0
639.34314	7.5
640.26746	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	639.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
58.00589	2.9
59.01385	100.0
59.62269	1.1
60.04282	1.2
61.98841	1.8
67.60793	1.3
69.48203	8.2
71.01389	49.6
72.99303	5.9
73.02946	4.3
75.00864	1.5
83.01384	2.6
85.02962	7.4
87.00880	4.0
88.98840	1.4
89.02456	52.7
92.93748	1.1
93.03448	6.3
95.01375	5.4
96.96011	2.7
101.02460	30.4
113.02457	16.4
116.92815	1.3
119.03506	26.4
123.00870	2.2
124.01620	2.0
125.02425	1.3
131.03510	4.0
137.02483	7.0
138.03241	1.9
139.00363	2.4
139.03979	3.5
143.03481	5.9
149.02451	1.4
149.04553	3.1
151.00372	17.4
151.03978	1.3
153.05621	1.7
161.04550	5.5
165.01877	2.6
166.02725	38.7
167.03406	1.5
175.03999	6.1
175.09908	1.4
179.03543	4.0
179.05620	10.7
180.04187	1.8
181.05084	70.2
187.03983	3.3
190.06339	4.1
191.03586	1.5
191.05614	6.0
194.05814	2.4
195.06612	4.7
202.06393	2.0
203.03416	7.2
205.08757	6.1
207.06561	1.9
215.48073	1.2
217.05072	1.9
218.05838	5.4
230.06017	1.5
231.67769	1.5
232.07454	1.6
233.08177	5.2
254.09557	6.5
281.06702	3.7
285.04187	1.5
299.02039	1.3
300.02908	1.3
308.06882	2.2
315.05103	3.5
322.08487	1.6
323.05756	1.4
323.09259	4.7
338.11661	3.8
339.08704	2.2
341.10297	1.5
353.10257	3.2
369.09622	7.2
369.13675	4.4
372.11920	2.0
383.11325	1.4
384.12210	4.6
387.14499	23.2
399.14499	79.5
400.14749	6.2
417.15805	1.7
459.16684	8.6
477.17487	2.0
519.14807	2.1
549.19659	1.4
550.21887	1.2
579.20795	9.2
597.21759	5.5
639.14752	6.5
639.33130	5.4
666.08276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3809
Annotation	Firmacoside A
Peak:m/z	Relative Intensity
55.01882	3.3
57.03466	3.3
58.00592	1.3
59.01386	32.0
61.98857	0.6
69.03465	1.6
71.01390	38.2
72.99310	2.9
73.02954	11.6
78.30356	0.5
83.01396	6.8
83.25748	0.6
85.02961	14.8
86.00108	1.2
87.00884	2.3
89.02451	16.6
93.03474	0.6
93.07125	2.0
95.01405	2.1
96.96032	0.8
97.02985	2.5
99.00906	3.7
101.02456	26.2
111.00884	6.9
112.61618	0.6
113.02467	10.0
115.04027	1.2
119.03522	1.0
125.02486	3.0
131.03517	6.0
141.01965	0.6
143.03531	2.1
145.45695	0.5
149.04556	3.4
153.11124	0.6
159.03018	1.6
161.04581	2.9
191.03674	0.7
191.05669	1.0
211.17137	0.9
213.18550	3.5
233.06631	1.4
343.28531	1.3
375.23843	3.5
376.23984	0.7
399.10840	0.5
487.32755	6.0
505.33859	52.2
506.34171	4.2
507.28046	2.7
637.38135	100.0
638.38617	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	637.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	1.0
58.00593	0.7
59.01386	42.3
61.98849	1.4
70.00100	2.6
71.01389	18.4
72.99316	1.4
73.02955	3.9
78.89155	0.5
83.01395	2.9
85.02959	6.3
87.00880	2.6
89.02448	11.1
92.84079	0.6
95.01398	0.9
96.95980	0.8
99.00875	1.5
101.02452	10.3
111.00900	1.7
113.02436	5.3
117.83705	0.6
119.03517	0.9
119.59557	0.7
125.02454	1.2
131.03487	6.3
143.03529	0.9
149.04587	1.9
161.04559	1.8
171.10286	1.2
171.35309	0.6
183.01302	0.6
186.88705	0.6
191.05641	1.7
191.10770	0.6
209.11832	4.3
249.03394	0.7
278.10031	0.6
300.47705	0.6
525.94556	0.7
577.35968	3.2
578.37085	0.7
637.38104	100.0
638.38605	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	637.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01381	38.2
61.98830	2.5
71.01382	15.5
71.14386	2.5
72.22150	1.1
73.02952	4.5
73.84186	1.0
83.01394	3.8
85.02953	5.8
87.00842	1.2
89.02451	9.2
101.02444	14.1
111.00890	2.3
113.02447	3.4
131.03497	3.8
144.40279	1.1
161.04564	1.3
209.11810	1.4
233.23634	1.4
445.31726	1.6
544.70367	1.4
577.35828	4.1
617.64221	1.2
637.38116	100.0
638.38672	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	637.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57851	2.0
55.01897	3.4
57.03439	3.2
58.02972	5.1
59.01382	31.3
62.04034	2.2
66.48126	2.3
69.24741	14.8
69.25169	6.4
70.02959	2.1
71.01388	56.6
72.99308	2.3
73.02950	22.3
76.26219	2.1
78.60714	2.0
78.95921	4.7
79.10419	2.1
83.01382	12.2
85.02954	25.5
87.00875	4.9
89.02461	14.9
91.05569	2.1
93.03469	6.5
95.01441	2.6
96.96003	21.3
96.96963	3.7
99.00880	7.7
101.02453	45.9
113.02465	19.0
116.92883	2.8
125.02485	4.9
143.03488	4.3
147.04498	6.1
159.02995	3.8
161.04541	23.0
164.07179	15.1
165.07529	5.6
173.04558	4.5
179.05664	3.1
191.05634	13.2
206.08255	23.0
207.08492	12.7
269.10284	26.6
415.16125	86.3
416.16516	6.4
577.21411	100.0
577.28229	3.7
578.21643	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03470	0.9
59.01386	100.0
60.01702	0.6
70.03516	1.6
71.01389	6.4
73.02943	2.3
78.95902	3.5
79.95765	0.5
83.01408	0.8
85.02961	2.9
89.02433	2.7
93.03467	0.7
95.01455	0.5
96.96025	18.0
96.96958	4.6
98.95602	0.7
99.00909	1.2
99.92625	2.2
101.02439	4.6
109.03004	0.5
113.02446	4.2
116.92873	21.7
116.97310	0.6
117.01980	0.9
117.92878	0.7
119.03584	0.7
124.01705	1.5
125.02482	0.6
135.04538	0.7
139.04048	2.7
143.03583	0.5
147.32164	0.4
149.04544	0.5
150.32498	0.4
161.04596	2.0
191.05589	2.9
192.06026	0.5
269.27997	0.5
303.08832	1.6
331.08209	4.4
353.08731	0.5
373.22314	0.7
399.71771	0.5
517.26569	27.7
518.26880	2.7
535.27704	7.7
577.28632	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	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.7
63.54793	0.6
67.01869	1.5
68.99821	0.7
69.78292	0.6
69.91811	1.8
71.01395	2.2
74.92381	0.8
76.92542	0.7
78.04916	0.6
83.01386	0.7
85.02942	1.2
87.00885	0.7
89.02435	1.0
93.03453	1.6
95.01392	10.6
96.96010	5.7
97.02947	0.9
98.20008	0.8
98.95653	0.7
99.00908	0.6
101.02454	1.1
104.65325	0.6
108.02232	0.8
109.02948	2.0
111.00892	2.6
112.98825	0.8
116.28411	0.6
116.61559	0.7
119.05065	0.9
119.27193	0.6
121.02965	1.6
123.00899	10.3
123.73524	0.6
124.01644	2.5
125.02497	3.8
127.00448	0.7
133.02925	1.6
134.03760	0.9
135.04582	4.6
136.01619	0.7
136.98839	1.2
137.02461	3.2
137.06129	1.2
138.03232	3.9
139.00403	11.5
139.04010	3.5
140.00977	0.7
145.02957	1.6
147.04535	1.7
149.02444	1.5
149.06041	0.9
151.00388	1.0
151.03973	1.3
152.01173	1.0
153.01961	4.2
153.05573	3.8
154.02661	0.7
155.03482	0.7
155.41454	0.6
159.04486	1.2
160.01666	0.8
161.02460	3.3
162.03255	3.2
163.04047	1.7
165.01921	1.2
166.02740	5.3
167.03459	2.1
168.04315	0.8
173.02420	0.7
173.04581	0.8
175.04016	3.0
176.01169	1.7
176.04834	1.4
177.01997	4.5
177.05667	3.9
178.02687	4.0
179.03532	3.1
181.01321	0.7
181.05078	7.8
186.43051	0.7
189.01936	1.0
190.02736	1.0
191.03523	3.8
191.05547	1.3
191.07195	1.3
192.04301	5.7
193.05042	6.3
203.03535	4.0
204.04262	2.6
205.05013	1.6
207.06631	6.2
209.08043	1.2
218.05861	5.1
219.06523	2.2
220.03902	0.7
234.05344	1.2
243.06516	0.9
249.07770	0.8
251.09299	0.8
271.06122	1.0
284.06982	1.2
285.11374	0.7
286.08292	0.8
299.09274	1.3
301.07413	0.8
311.05701	0.9
323.05612	0.9
329.10422	1.3
338.07864	1.2
339.08493	0.7
341.10349	2.0
342.07364	0.9
343.08237	3.0
344.12653	2.3
355.08255	2.0
357.09805	2.0
358.06229	1.1
358.10602	15.0
359.11444	1.2
359.14999	4.3
370.10516	1.2
371.15192	2.0
372.12415	1.2
373.12946	34.1
374.13239	2.9
374.89337	0.6
385.12915	1.8
387.10910	1.5
403.10135	2.7
403.14328	15.2
417.12042	2.3
418.12677	5.6
419.13324	2.4
433.15039	100.0
434.15390	7.9
475.14252	2.1
577.19550	1.2
595.20392	0.9
607.16669	2.3
622.19196	3.4
637.21436	70.1
638.21790	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	637.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91675	0.6
59.01384	19.5
70.11231	1.6
70.66848	0.6
71.01391	9.5
72.99323	0.9
81.03464	0.7
85.02990	1.2
87.00861	1.0
88.98811	4.7
89.02454	14.5
93.03490	2.0
95.01406	0.7
95.05018	0.9
96.96029	2.2
96.97002	0.6
101.02482	4.5
109.02950	7.1
109.06595	5.2
113.02451	3.1
119.03535	4.3
119.05048	7.1
121.02972	5.9
122.03765	1.0
126.17599	0.6
131.03506	1.1
135.04532	5.4
137.02464	1.2
137.06091	34.8
138.06441	0.7
143.03532	1.1
149.04485	0.7
161.04543	1.6
163.04034	5.5
173.04553	1.5
179.03497	0.7
179.04028	0.9
179.05612	8.9
181.05075	100.0
182.05363	3.1
191.05626	2.0
191.82607	0.6
195.06593	0.9
293.08774	0.7
337.09213	1.9
343.10342	24.3
344.10461	0.8
391.13889	1.2
421.14890	1.2
475.14603	26.9
476.14902	2.1
598.69934	0.6
637.19855	24.7
638.20239	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	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.4
59.01380	13.6
61.98836	8.1
67.01896	2.0
69.03456	2.0
69.25509	4.8
69.25926	8.9
71.01388	14.2
72.99321	2.2
73.02958	2.3
78.95904	8.2
83.01375	2.2
83.05047	2.5
85.02956	6.1
87.00862	3.1
88.98800	5.3
89.02465	7.1
93.03452	6.4
94.03820	1.4
95.01409	12.1
96.96025	78.3
96.96940	11.3
98.20628	2.3
98.95599	6.0
99.00877	2.2
101.02447	6.1
108.02159	1.8
109.02982	2.8
111.00900	3.2
111.04521	2.4
111.08184	9.5
113.02423	3.8
116.92902	11.8
119.05025	2.2
120.39144	1.3
121.02977	3.7
123.00913	12.2
124.01648	4.0
125.02451	3.7
127.03970	1.5
133.02974	3.0
134.03751	3.2
135.04561	8.2
136.01709	1.7
136.98772	2.5
137.02452	8.9
137.99646	1.4
138.03210	1.9
139.00380	10.8
139.04016	6.6
145.02942	1.7
147.04517	3.4
149.02516	1.8
151.00334	3.2
151.03987	2.1
152.01125	2.1
153.01897	4.6
153.05551	2.8
155.03423	1.7
161.02475	7.8
161.04564	2.7
162.03214	5.0
163.04019	2.0
165.01970	2.5
165.05460	2.4
166.02675	6.5
167.03499	2.0
173.04559	6.0
173.08189	16.8
175.03992	2.1
176.01140	2.6
176.04779	2.1
177.01910	5.3
177.05609	3.5
178.02742	5.4
179.03481	6.6
181.05063	6.2
188.34418	1.4
189.02023	1.6
190.02658	1.9
191.03528	3.9
191.05609	16.4
191.07199	2.4
192.04230	5.2
192.05849	2.4
193.05048	9.3
195.03015	1.7
202.02824	2.0
203.03488	5.3
204.04182	2.4
205.05086	1.9
207.06647	6.6
211.06169	2.5
218.05890	7.3
219.06621	3.9
223.06131	1.7
225.33260	1.4
227.07320	1.7
233.08212	3.8
297.11401	2.2
311.02191	2.4
331.08319	1.7
343.08096	4.0
355.08035	3.2
357.09689	6.5
358.10626	14.4
359.11224	1.8
373.13028	33.8
385.12866	5.6
403.09509	3.0
403.14447	15.9
412.26089	1.5
415.14352	1.5
417.11975	3.4
418.12558	6.8
433.15042	100.0
434.15704	7.0
457.14899	4.0
475.14133	5.5
577.19263	6.2
577.28473	6.5
595.20422	2.2
607.16455	1.9
622.19177	2.2
637.21417	80.4
638.21869	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	637.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	75.7
60.01691	2.4
61.41264	1.7
62.60955	1.9
69.38654	8.4
69.39074	6.0
71.01384	56.6
72.99322	5.1
83.01387	2.2
85.02956	8.8
87.00893	5.2
88.98843	3.4
89.02449	100.0
95.01403	2.8
95.29659	1.7
96.96025	7.4
96.96985	1.8
98.19877	2.2
101.02448	30.3
109.02979	3.5
113.02458	27.5
113.03182	2.8
116.92860	2.9
119.03522	37.3
119.05001	4.2
121.02958	4.0
131.03506	7.8
135.04538	3.7
137.06087	15.5
143.03526	12.9
149.02483	3.6
149.04520	6.6
158.35161	1.9
161.04558	12.6
163.04033	6.7
173.04561	2.9
179.05618	63.1
181.05069	44.2
190.63037	2.1
191.05614	8.1
195.06618	5.5
233.95648	2.1
331.11734	3.8
343.10352	10.6
356.01871	2.1
391.13864	12.1
421.15076	9.1
475.14603	11.6
478.22943	2.3
637.20074	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	637.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
58.44005	0.3
59.01386	28.5
61.98863	0.3
69.25042	1.6
69.25459	1.1
71.01388	3.4
73.02951	3.0
75.00875	0.7
76.62310	0.3
78.95915	0.6
79.63592	0.3
83.01370	0.4
85.02954	1.6
89.02455	1.6
93.03503	0.4
96.96019	5.9
96.96973	1.2
98.20667	0.7
98.95636	0.7
99.00907	1.2
99.92592	9.6
100.92615	0.4
101.02480	2.0
113.02463	1.4
116.92873	100.0
116.97266	1.3
117.01942	4.9
117.92888	3.1
119.03532	0.5
124.01675	0.4
125.02502	0.3
131.03627	0.4
134.50658	0.3
137.02458	0.3
137.39638	0.3
139.03981	1.5
149.04700	0.4
149.06084	0.3
161.04602	1.0
165.01965	0.3
173.04558	0.6
191.05630	2.1
219.79491	0.3
221.07240	0.3
283.11453	0.3
293.71786	0.3
303.08905	0.6
305.21942	0.3
331.08170	1.9
332.08304	0.4
353.08743	0.6
517.26569	8.5
518.26654	0.4
535.27490	2.1
577.28546	3.5
657.79974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1417
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
50.66275	0.5
51.85055	0.5
57.03476	0.5
59.01385	11.2
61.98825	1.6
63.02397	1.5
65.00322	3.2
67.71462	0.5
69.19187	2.9
69.19614	2.0
71.01387	2.6
73.02946	0.6
78.95909	15.6
78.96376	0.8
79.95760	2.9
83.01405	1.5
85.02969	1.2
89.02471	1.3
93.03452	0.9
96.96021	100.0
96.96944	21.7
98.95592	1.2
101.02457	1.5
107.01392	6.8
109.03008	0.6
113.02510	0.9
115.00348	0.6
116.92857	0.8
121.02962	2.7
121.45174	0.5
125.02444	1.2
128.13036	0.5
134.03757	2.5
135.04543	0.8
136.01692	1.0
137.02420	0.9
148.01691	2.1
149.02490	2.2
149.06087	1.9
151.00378	22.6
151.04031	1.1
152.00917	0.6
153.01938	0.5
156.35793	0.5
161.02515	1.3
165.01874	0.6
169.01439	1.6
173.04517	0.9
175.04097	0.7
176.01170	8.3
177.01894	2.8
178.99884	12.1
179.03555	0.6
180.15779	0.6
183.04471	0.6
191.05620	1.6
199.03998	0.6
202.99870	3.2
211.04115	1.1
227.03528	1.5
234.26062	0.6
239.03485	1.5
243.03073	1.4
245.04485	0.7
255.03017	3.5
256.03772	3.5
257.04498	1.1
267.03009	0.7
271.02527	5.8
273.04141	0.9
282.01593	0.5
283.02542	3.6
284.03168	3.4
297.06302	0.7
299.02020	0.9
300.02780	3.3
301.03574	20.8
302.03989	1.4
310.01205	3.5
311.01993	40.1
312.02304	1.8
326.84970	0.5
327.01508	4.9
329.03049	7.8
349.45996	0.6
485.12930	0.9
517.26361	3.1
529.07178	0.6
577.28650	1.6
637.14136	84.8
638.14502	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	635.4168
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
59.01382	19.0
70.27792	1.3
70.59865	1.2
71.01387	20.4
71.55238	1.6
78.95906	16.4
84.07864	1.4
89.02458	26.6
96.96964	1.8
101.02457	6.9
101.92786	1.2
113.02479	6.9
119.03477	4.8
131.03474	1.8
143.03479	2.3
149.04575	2.5
152.99591	17.6
161.04538	3.6
179.05647	13.2
201.11403	3.1
209.11894	2.6
216.84885	1.2
233.86247	1.3
381.13138	6.4
399.14200	10.7
455.35345	100.0
456.35681	8.7
530.00470	1.7
537.35333	1.8
635.35754	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	636.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32314	0.7
55.01877	1.0
58.02985	10.6
59.01161	0.8
59.01391	9.2
69.03444	0.8
69.35892	3.8
69.36317	3.2
69.83812	1.0
70.02970	3.8
71.01383	12.2
72.00908	2.4
72.99282	0.9
73.02947	4.6
78.95895	2.5
82.48138	0.9
83.01384	2.1
84.45783	0.8
85.02956	6.0
87.00882	2.0
89.02462	4.5
91.05534	2.7
93.03446	3.7
96.96031	9.3
96.96956	3.7
98.95609	0.9
99.00895	1.6
101.02464	10.5
104.40404	0.8
113.02449	5.1
116.92857	4.1
117.92836	0.7
119.05054	1.3
121.02973	1.2
125.02444	0.8
130.14317	0.8
135.04472	2.2
143.03471	1.0
147.04543	17.6
147.05701	1.7
149.04510	1.6
150.03194	1.9
161.02452	0.9
161.04570	4.7
164.07176	50.7
165.01933	1.0
165.05522	2.1
165.07542	1.3
165.21405	0.9
173.04517	4.4
179.03386	1.3
180.04272	1.6
191.05627	12.4
191.41531	0.9
195.06595	3.8
196.06895	1.6
206.08229	100.0
207.08511	3.7
240.07767	1.0
250.07260	1.5
269.10275	3.8
315.07919	0.8
372.91071	0.8
377.41269	0.9
415.16064	18.1
444.89603	0.9
460.95764	1.1
577.21423	22.3
614.65637	1.0
636.20361	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	635.4166
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
59.01393	6.8
61.98839	1.7
71.01388	7.1
71.54327	1.2
78.95906	12.0
85.02950	0.8
89.02450	9.2
96.96988	0.9
100.73050	0.7
101.02443	4.4
113.02467	1.8
119.03501	2.8
131.03511	1.0
152.99608	13.3
156.97765	2.4
161.04544	1.8
179.05632	5.7
201.11319	1.8
209.11897	2.2
261.97107	0.8
381.13110	5.0
399.14133	5.3
416.55237	0.8
441.33801	2.5
455.35336	100.0
456.35751	8.2
537.35858	1.3
591.32312	0.7
635.35651	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	635.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70877	0.2
59.01387	4.2
60.43912	0.2
62.65345	0.2
69.95386	0.4
69.95783	0.6
72.99313	0.4
96.96043	0.2
99.93781	0.2
119.05046	6.1
121.02970	100.0
122.03310	2.0
135.04549	1.4
162.19745	0.2
163.04047	2.5
165.05614	0.6
181.05081	58.2
182.05411	1.7
301.66110	0.2
322.50827	0.3
381.03143	0.2
399.95633	0.2
409.74136	0.3
441.33688	0.3
453.33771	19.3
454.34268	1.9
471.34949	0.4
513.36340	0.5
593.58240	0.3
635.39551	19.4
636.40015	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	633.4014
Annotation	Kolokoside B
Peak:m/z	Relative Intensity
57.03427	1.0
58.00593	1.2
59.01385	33.5
61.98835	1.6
71.01387	19.7
71.55307	0.9
72.99331	2.4
73.02930	0.9
75.00890	1.9
75.07987	0.7
83.01415	1.9
85.02955	7.0
87.00951	1.0
89.02451	19.7
95.01420	1.8
96.96023	1.6
99.00898	0.7
101.02454	14.8
113.02470	9.3
119.03519	7.1
125.48405	0.7
128.69890	0.7
131.03604	0.9
143.03510	0.7
149.30435	0.7
171.10271	2.7
173.04440	0.9
179.05656	1.8
191.05682	1.3
213.83589	0.9
346.19476	0.8
450.42526	0.9
453.33737	6.1
633.40234	100.0
634.40668	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	635.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63308	0.9
54.01365	1.2
57.03443	1.6
59.01386	9.0
61.98822	4.3
68.08420	1.1
68.99576	11.8
71.01381	9.4
73.02954	2.6
78.95895	1.7
83.01417	1.6
85.02950	4.2
87.00867	3.5
88.98808	2.4
89.02456	38.8
96.96023	9.8
98.20657	4.4
99.00893	1.2
101.02447	5.2
111.10296	1.0
112.98579	14.3
113.02469	7.3
116.92892	1.5
119.03553	1.1
121.02953	4.9
122.03761	2.0
123.00901	1.0
124.01637	1.0
125.02458	1.5
131.03493	1.4
133.05086	5.4
135.04553	1.1
135.43541	1.2
136.01674	51.3
137.02457	2.1
149.02412	1.6
149.04471	1.4
149.80840	1.4
151.04022	80.5
152.04367	2.6
159.04472	1.6
160.05272	4.2
161.04549	4.9
161.05846	1.3
163.04053	1.9
164.04843	1.4
175.07628	6.3
177.05501	1.5
178.06310	1.1
179.03490	1.2
180.32509	1.0
191.05579	3.3
208.03842	1.2
223.06122	1.4
329.13968	23.2
330.14191	1.6
341.13879	1.4
342.11008	5.6
357.13455	100.0
358.13748	7.1
359.14944	3.5
519.18604	1.6
575.30426	4.9
635.37354	3.7
653.48450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3798
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
55.34700	0.3
59.34207	0.3
69.34931	2.1
69.35345	0.5
69.89190	0.3
76.03218	0.3
91.05535	0.5
93.72192	0.4
107.05067	1.2
117.03511	0.7
133.02965	4.1
134.03763	5.6
135.04541	47.0
136.04868	1.8
137.02470	1.1
139.18553	0.3
147.04536	1.2
148.05312	7.3
149.37003	0.3
155.26639	0.3
160.84239	0.6
161.01129	0.7
161.02460	10.9
162.02847	0.5
162.83925	1.0
179.03516	40.3
180.03842	1.3
191.03429	1.0
193.16814	0.3
252.92004	0.3
391.30334	0.4
453.33691	6.5
454.33813	0.6
633.37988	100.0
634.38391	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	633.365
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
55.01875	1.2
57.03453	4.5
59.01164	0.3
59.01389	3.1
61.98826	0.6
63.93932	0.3
67.01893	0.4
68.99819	0.6
71.01392	5.3
72.99311	1.9
73.02956	0.8
75.00880	18.8
79.55215	0.4
83.01398	1.0
85.02960	22.5
87.00905	2.8
89.34957	0.4
90.68363	0.4
95.01392	2.0
99.00900	3.0
112.01659	0.5
113.02460	16.9
115.00372	1.2
117.01921	0.7
129.01947	1.0
157.01462	1.1
169.78978	0.4
175.02473	0.9
289.56628	0.4
411.28656	0.4
437.30746	0.8
439.31921	2.3
455.30817	0.4
457.33228	9.6
458.33435	1.2
485.32211	0.4
557.34766	1.3
633.36426	100.0
634.26239	0.7
634.36804	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	633.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13605	0.6
71.13922	0.5
75.06365	0.3
75.95768	0.4
95.81221	0.4
96.95993	0.4
107.05022	1.1
119.04971	0.4
121.02959	0.6
133.02972	4.8
134.03748	5.7
135.04536	52.5
136.04893	1.3
137.02423	0.9
147.04498	0.8
148.05315	8.1
149.38612	0.3
153.90086	0.4
157.48425	0.4
161.02454	12.1
161.03786	0.7
162.83937	1.5
164.83612	0.6
179.03508	39.8
180.03870	1.0
191.03488	1.0
262.81335	0.4
332.51498	0.4
391.30225	0.6
453.33719	5.9
574.23688	0.4
633.37964	100.0
634.38312	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35142	0.3
55.01888	1.0
57.03455	4.7
59.01373	2.1
61.98835	1.1
66.39400	0.4
67.01895	0.5
71.01385	4.0
72.99313	1.8
73.02940	0.5
75.00878	21.5
78.95911	1.6
83.01387	1.2
83.90394	0.4
84.02206	0.4
85.02959	22.9
87.00878	1.9
89.02426	0.5
90.38817	0.4
95.01391	1.6
96.95998	1.1
99.00871	2.3
111.00873	0.5
113.02464	15.6
115.00340	0.9
116.01166	1.1
117.01932	0.7
119.04989	1.0
129.01941	0.7
152.99574	0.5
157.01424	1.4
163.03984	1.8
197.94717	0.4
289.83701	0.4
327.79364	0.4
327.83234	0.4
409.31250	2.3
439.32098	0.7
455.31665	1.4
457.33231	8.5
458.22791	0.4
458.33691	0.8
469.33167	1.1
557.34949	1.8
633.36487	100.0
634.36847	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	633.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01383	3.4
60.15280	0.5
61.98836	2.5
71.01393	3.7
71.56151	0.5
73.02951	0.8
82.95423	3.2
83.01378	0.7
85.02945	1.2
85.46623	0.4
87.00842	0.6
88.98806	0.9
89.02438	2.0
91.01920	0.7
93.03467	0.9
96.96021	4.7
96.99297	1.5
101.02466	2.2
101.06090	2.6
101.34382	0.5
108.02176	6.5
109.02966	5.0
111.04489	0.6
111.08167	1.6
113.02447	0.7
115.00397	1.2
115.07677	1.2
116.92836	0.6
117.03458	0.7
119.05052	0.5
121.02930	1.4
122.03796	0.7
123.04535	4.3
124.01614	0.7
125.02468	0.6
131.03499	0.4
131.05043	0.5
133.02933	1.2
134.03751	12.2
135.04482	0.8
137.02435	1.2
139.03996	1.2
139.07660	0.8
145.02927	3.1
146.03737	5.4
147.04524	6.8
148.05334	7.2
149.06090	2.7
152.63263	0.4
153.05597	0.7
155.07124	1.7
158.03761	4.5
159.04517	5.9
160.01688	1.1
160.05325	0.7
161.02470	1.3
161.06053	1.9
163.04012	1.0
164.04776	0.6
173.02443	0.5
173.04643	0.4
173.06071	1.9
174.03136	1.2
175.04030	0.6
178.02704	1.6
179.03494	0.8
186.03180	1.6
187.04070	0.8
189.05562	1.0
191.05597	3.8
192.04276	0.6
193.05072	5.4
194.05777	0.9
201.05553	1.7
205.12373	0.5
207.06697	3.2
209.08153	1.0
213.05597	1.9
239.07088	1.3
240.04495	0.6
241.05086	8.9
245.04498	0.9
246.95168	0.5
249.05594	1.2
250.06346	2.7
251.07033	0.6
252.07811	1.1
253.05058	0.6
254.05870	0.5
255.06563	1.2
256.07440	6.8
265.05075	1.3
265.08600	1.0
266.05869	4.1
267.06635	7.0
267.09705	0.6
268.07446	4.1
269.08176	3.8
270.09079	0.7
271.09760	5.4
272.06912	0.6
277.04984	0.8
278.05637	0.5
280.07471	1.0
281.08179	4.7
282.08987	7.6
283.09698	4.4
284.10492	4.2
293.05048	0.5
293.08206	1.0
294.05292	1.8
295.06177	1.0
295.09641	1.1
297.11368	8.5
298.11630	0.8
299.12878	1.0
309.07687	6.4
310.08478	4.4
324.09961	2.0
325.10831	5.8
326.11099	0.5
353.06595	0.9
369.09671	1.8
412.06412	0.6
521.77106	0.8
522.27136	0.7
522.43738	0.6
522.77112	0.5
602.79437	1.9
603.29236	0.7
615.20667	0.7
633.21899	100.0
634.22266	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	632.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98837	100.0
69.77006	1.6
71.01391	0.7
78.95925	1.3
79.95739	0.3
84.09209	0.3
85.02976	1.1
87.00896	0.5
87.18983	0.3
89.02462	0.6
93.03476	1.2
96.96021	9.3
96.96932	1.7
101.02459	0.6
111.04469	0.3
123.04602	0.3
133.03062	0.3
135.04558	0.6
135.94225	0.3
137.02519	0.9
145.79164	0.3
150.03244	0.4
152.01147	0.4
153.11038	0.3
161.02528	0.6
165.01933	0.9
167.03461	0.5
173.04623	1.3
177.01999	0.7
179.03578	0.5
180.04323	0.5
185.31277	0.3
191.05623	5.9
195.06720	0.8
203.12993	0.7
211.87802	0.3
225.07735	0.6
295.76172	0.3
351.38849	0.3
373.12851	0.4
433.15219	0.5
434.15717	0.7
664.39349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98824	1.3
66.81583	0.9
70.07182	2.3
70.07597	3.3
71.01381	3.2
75.00855	1.1
78.95906	1.8
79.95736	4.0
85.02952	1.5
87.00854	1.0
89.02457	5.3
93.03496	1.7
96.96023	100.0
96.96988	2.7
98.19911	1.2
98.95642	1.4
101.02464	1.6
109.02952	1.0
113.02409	1.2
119.03524	1.4
121.02959	2.1
125.02406	2.2
133.02950	3.0
135.04524	2.4
147.04558	1.1
148.05313	2.0
151.00389	1.3
161.02519	1.3
166.02708	2.5
173.04552	3.6
181.05087	3.6
191.05611	9.2
191.07054	1.8
195.06610	1.4
205.34389	1.1
209.04654	1.3
222.80522	1.2
235.06134	1.2
239.93938	1.0
242.05814	1.8
257.08081	1.4
270.08823	1.2
270.13947	1.0
271.09760	1.3
285.11447	7.0
295.38113	1.0
319.11758	1.5
325.09000	1.4
327.08957	2.0
342.10825	1.4
357.13397	1.2
372.49066	1.2
375.14572	1.6
405.15421	4.7
482.89981	1.4
486.13657	1.3
535.14740	8.2
536.14966	1.8
633.19928	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	631.3854
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.01875	1.6
57.03453	4.0
57.45042	0.4
59.01367	1.5
68.99810	0.7
69.95211	2.2
70.94974	0.5
71.01389	3.1
72.99313	1.2
73.66625	0.4
75.00878	21.6
76.01220	0.6
83.01389	0.6
85.02958	18.4
87.00879	1.4
91.99394	0.5
92.12956	0.4
95.01433	2.4
99.00892	1.8
101.47618	0.5
102.88414	0.4
111.00865	0.8
112.01696	1.1
113.02473	10.2
127.56896	0.5
129.01959	0.9
157.01451	1.1
175.02434	0.7
213.13573	0.4
267.64417	0.6
277.45697	0.5
453.33536	1.3
455.35373	6.0
509.36411	1.1
511.33746	0.5
555.36786	1.6
631.38531	100.0
632.38928	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	631.3854
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
50.51154	0.3
55.01878	1.8
57.03459	3.9
57.84314	0.4
59.01376	1.5
62.64487	0.3
67.01892	0.5
69.93819	1.9
71.01381	3.8
72.99317	1.9
73.02938	0.7
75.00876	26.8
83.01388	1.2
85.02956	19.5
87.00860	1.4
88.01618	0.4
89.02449	0.5
95.01379	2.6
97.02970	0.5
98.19855	0.4
99.00892	1.7
112.01674	1.0
113.02459	9.9
115.00370	0.7
116.01166	0.5
117.01977	0.5
129.01938	1.0
157.01407	1.0
168.73946	0.3
175.02487	0.5
218.20886	0.4
437.34265	0.8
453.33875	1.5
455.35284	6.7
456.35486	0.6
509.36426	2.3
527.37683	0.5
555.36639	2.3
631.38507	100.0
632.38837	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	631.3858
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.01871	1.2
57.03453	4.1
59.01390	1.6
61.98845	0.2
67.01888	0.6
68.99818	0.7
70.03081	0.7
71.01393	3.6
71.71650	0.2
72.99313	2.1
73.02951	0.4
75.00880	23.5
78.95947	0.2
83.01394	1.2
84.02215	0.4
85.02960	22.2
86.00135	0.2
86.03318	0.2
87.00871	1.5
89.02440	0.3
94.99979	0.2
95.00811	0.3
95.01384	2.7
95.34467	0.2
97.02947	0.5
99.00883	1.9
101.02487	0.2
111.00898	0.4
112.01681	1.3
113.02460	10.7
115.00381	1.1
116.01175	0.3
117.01936	0.8
129.01984	1.2
157.01454	1.0
175.02473	0.9
216.23122	0.2
378.54382	0.2
437.34177	0.4
453.33743	1.2
455.35339	5.4
456.35873	0.4
509.36444	1.6
510.36697	0.3
511.34421	0.6
555.36920	2.8
556.37097	0.5
613.37488	0.5
631.38525	100.0
632.38922	8.7
632.46997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
56.30863	0.3
57.03448	2.5
58.34710	0.4
59.01384	2.2
61.98824	1.4
69.79166	1.8
71.01383	4.6
72.99317	2.4
73.02944	0.6
75.00882	18.4
79.21155	0.3
83.01395	1.0
85.02956	13.3
87.00869	2.5
89.02461	0.6
89.31055	0.4
95.01383	0.8
98.20663	0.5
99.00859	1.6
104.35684	0.4
113.02464	8.5
115.00373	1.2
116.01188	2.8
116.72057	0.4
117.01951	0.5
145.68611	0.4
157.01445	0.6
162.63330	0.4
175.02472	1.1
265.57236	0.4
403.44547	0.4
409.27478	1.3
415.18402	0.4
421.31235	0.7
423.29251	0.8
425.30585	2.3
437.24661	0.8
437.30630	11.8
438.30585	1.0
455.31683	12.5
456.32114	1.1
465.16708	0.4
465.29916	0.5
479.31430	0.5
513.32397	0.6
516.81506	0.5
555.33484	0.9
631.34906	100.0
632.35211	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	631.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.07859	0.3
57.03451	2.3
59.01379	3.4
61.74638	0.4
62.08746	0.4
63.03280	0.4
67.01869	0.6
71.01386	7.5
72.99317	4.5
73.02962	0.5
75.00880	24.1
80.54977	0.5
83.01373	0.8
85.02956	12.7
85.03468	0.6
87.00899	1.8
89.02435	1.1
95.01395	3.0
96.96007	1.0
99.00901	1.9
101.02403	0.6
103.00347	1.1
111.00909	0.4
112.01670	2.1
113.02467	5.6
115.00337	0.7
117.01945	1.0
130.99850	0.5
157.01428	0.8
160.84131	0.5
175.02487	1.1
191.05457	0.5
193.03497	2.1
203.74928	0.4
216.81252	0.4
229.04126	0.7
265.17386	0.4
279.80527	0.4
423.28952	0.6
425.30609	0.9
437.30515	4.3
439.32178	1.2
451.32761	0.4
455.31665	5.1
497.33160	0.7
509.32593	2.4
527.34137	0.5
537.89801	0.5
555.33392	2.2
613.33752	0.8
619.41931	0.4
631.34888	100.0
632.35181	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	631.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03453	2.0
59.01388	3.2
61.98839	0.6
67.01886	0.6
71.01383	4.0
71.05029	2.0
72.99319	3.1
75.00878	22.8
78.95919	0.7
83.01402	1.1
83.05028	0.4
85.02456	0.8
85.02959	11.7
85.81874	0.3
87.00391	0.4
87.00878	1.7
89.02460	0.8
93.46298	0.4
95.01383	1.6
96.96024	11.4
97.95819	0.3
98.19749	0.5
99.00910	2.4
102.30166	0.4
112.01676	1.1
113.02462	5.8
115.00419	0.9
115.52197	0.4
116.01232	0.9
116.92870	0.9
117.01944	1.6
129.01939	0.9
138.29613	0.4
155.25864	0.4
157.01407	0.9
175.02571	0.7
175.67044	0.3
191.05623	1.0
227.80345	0.4
229.57532	0.5
344.59964	0.4
411.32690	0.5
437.30646	1.3
453.30008	2.1
455.31662	8.8
487.30750	2.7
488.30579	0.4
509.32806	1.2
513.31567	0.7
606.05969	0.5
613.34119	0.6
631.34906	100.0
632.35229	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	631.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03449	1.9
57.03687	0.4
59.01379	2.3
62.50983	0.4
68.77511	0.3
68.99826	0.6
71.01391	3.6
71.05009	1.0
72.99312	3.5
73.02923	0.5
75.00880	24.2
75.52051	0.3
81.61378	0.4
82.96888	0.3
83.01370	0.6
83.05014	0.7
85.02963	10.6
87.00872	1.5
91.37983	0.4
95.01401	1.8
98.19897	1.0
98.42319	0.3
99.00890	2.1
112.01648	1.6
113.02464	4.8
115.00365	0.9
116.01167	1.1
117.01940	1.1
123.08157	0.5
129.01956	0.7
130.99910	0.5
149.13287	0.5
157.01439	0.6
175.02542	0.9
395.29492	1.1
437.30414	1.0
453.30005	2.1
455.31699	11.8
456.32248	0.7
487.30655	2.0
509.32681	1.3
513.32184	1.0
555.33124	0.8
613.33759	0.9
631.34906	100.0
632.35315	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	629.3698
Annotation	(-)-Ganoderic acid Mc
Peak:m/z	Relative Intensity
55.01868	1.3
57.03451	3.9
59.01391	2.9
61.98840	0.8
68.99821	0.7
69.38342	3.3
71.01389	6.7
72.58249	0.4
72.99291	3.1
73.02917	0.5
75.00878	20.2
83.01380	1.2
84.89377	0.4
85.02959	20.0
86.03251	0.4
87.00874	1.6
89.02416	0.8
95.01409	2.9
96.96015	0.8
97.02991	0.5
99.00866	2.3
101.06033	0.4
105.94332	0.4
112.01673	1.0
113.02460	11.2
115.00352	0.8
117.01957	2.9
129.01939	0.6
133.02963	0.5
157.01375	1.1
173.04628	0.6
175.02441	1.0
266.97293	0.5
371.76202	0.4
402.31033	0.4
431.22537	0.6
439.31653	0.5
441.33859	1.0
451.32162	0.7
512.25360	1.0
548.44580	0.5
585.37720	0.5
611.35999	0.5
629.36987	100.0
630.37354	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	629.3336
Annotation	Jasplakinolide Q
Peak:m/z	Relative Intensity
50.49243	0.7
55.01887	1.0
57.03441	2.3
59.01382	3.9
61.98830	1.4
67.01865	0.6
68.99811	0.8
69.03480	0.7
69.63339	1.2
69.63739	3.0
71.01391	3.4
72.99307	2.9
75.00879	26.3
77.06342	0.6
78.95883	0.7
83.01373	0.7
85.02951	10.3
87.00885	1.9
95.01390	2.8
96.96039	4.0
98.20649	0.7
99.00898	1.9
112.01652	0.8
113.02465	4.8
116.01183	1.1
117.01868	0.7
129.01944	0.8
148.52295	0.7
151.00430	0.9
175.02458	1.0
177.12788	0.8
178.24579	0.6
202.99927	0.6
217.15906	1.4
219.51627	0.6
238.89435	0.6
247.80937	0.6
338.61499	0.7
400.65308	0.7
409.31110	0.7
435.29358	0.9
453.29807	1.3
511.30673	1.5
518.75409	0.7
629.33295	100.0
630.33612	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	629.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.25721	0.3
57.03452	4.5
59.01392	2.2
61.34481	0.3
61.98844	0.5
65.73003	0.3
67.01887	0.9
68.99818	0.7
69.03452	0.4
69.90794	0.7
69.91183	0.8
71.01397	3.9
71.05865	0.3
72.99316	2.1
75.00880	24.0
83.01387	1.1
84.02175	0.5
85.02962	21.4
86.03301	0.4
87.00883	2.0
89.02508	0.4
95.01413	2.5
96.95992	0.8
97.02955	0.6
98.20541	0.6
99.00889	2.1
101.02393	0.4
103.00404	0.3
111.00903	0.5
112.01665	0.8
113.02457	11.0
115.00378	1.2
117.01950	1.0
129.01958	1.2
149.55879	0.4
157.01439	0.9
160.84206	2.0
169.25198	0.3
175.02452	0.7
191.05620	0.5
287.39221	0.4
306.57681	0.4
453.33948	3.1
507.34946	1.3
525.66595	0.3
553.35339	1.5
569.31348	0.4
611.36230	0.6
626.11676	0.4
629.36981	100.0
630.15729	0.4
630.37341	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	629.3331
Annotation	3-hydroxy-4-methyl-anthranilate pentapeptide lactone
Peak:m/z	Relative Intensity
55.01863	1.2
57.03450	2.4
59.01380	2.0
66.90298	0.3
67.01870	0.7
68.99825	0.5
69.03435	0.3
70.76868	0.9
71.01389	3.5
72.99314	3.3
73.02941	0.8
75.00876	28.6
83.01386	0.7
83.05018	0.5
85.02952	12.0
87.00880	2.0
88.59309	0.3
89.02427	0.5
94.92819	0.4
95.01394	2.2
96.96002	0.5
97.06611	0.5
99.00895	2.8
102.27231	0.4
108.26408	0.3
109.06538	0.3
111.00842	0.4
112.01662	1.1
113.01716	0.5
113.02458	5.5
115.00363	1.1
116.01131	1.5
117.01920	0.8
123.08152	0.3
126.25983	0.3
129.01915	0.6
157.01349	0.7
164.67430	0.3
175.02512	0.8
177.12808	0.5
217.15999	1.1
281.86658	0.4
315.46030	0.3
379.29718	0.4
389.28513	0.6
391.30133	0.7
405.27994	0.7
407.17551	0.3
407.29233	0.9
409.31271	0.8
435.28891	1.8
451.28464	1.0
453.30194	2.0
511.30722	1.2
610.80304	0.4
611.32141	0.7
629.33295	100.0
630.33728	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	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09760	1.2
59.01385	100.0
60.50023	1.4
60.99303	5.4
61.98597	1.3
61.98833	15.8
67.01890	1.9
71.01370	5.3
71.56059	1.7
72.99328	1.8
78.95904	6.8
79.95711	2.3
85.02942	2.9
88.98273	2.4
88.98811	33.7
89.02457	10.4
93.03445	5.2
96.96021	74.9
96.96943	13.8
101.02439	4.6
109.03006	1.7
111.00917	2.9
113.02446	1.8
117.63966	1.3
121.02967	13.4
121.09957	1.4
122.03744	3.6
133.02988	2.4
134.03761	1.3
135.04546	2.5
149.01311	2.5
149.02455	35.4
150.03241	35.8
155.12665	1.3
164.04803	11.8
165.01926	7.0
165.05589	50.2
173.04558	7.3
180.04295	2.3
181.05095	2.9
191.05591	13.7
193.08640	2.4
195.06633	46.2
196.07285	4.2
202.80418	1.3
211.09755	4.6
260.45206	1.5
275.09528	1.3
344.12622	12.1
345.12967	1.8
359.15030	81.3
360.15271	4.4
389.15945	1.7
407.17114	62.6
408.17496	2.8
629.20715	2.5
629.30096	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	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	3.5
59.01387	99.3
61.98831	19.3
69.53562	7.4
69.53990	10.0
70.12497	2.7
71.01387	69.3
72.99321	5.0
73.02958	3.1
77.99375	2.7
78.95896	3.3
83.01408	4.8
85.02946	17.3
87.00886	6.2
88.98802	6.3
89.02454	100.0
93.03473	9.2
95.01382	4.9
96.96024	23.4
96.96983	3.0
97.06596	2.5
101.02453	35.8
113.02448	28.2
119.03517	39.8
121.02958	13.7
126.62832	2.8
131.03508	4.3
135.04555	4.3
135.18350	2.5
143.03502	9.1
149.04671	3.2
150.03117	2.6
161.02446	3.4
161.04587	10.4
162.03288	12.4
165.01909	18.7
165.05496	3.6
173.04463	5.0
177.05550	11.5
179.03369	2.8
179.04074	4.0
179.05621	47.5
179.07036	4.4
180.04262	6.1
180.05884	2.4
181.05022	4.8
191.05615	18.7
191.83527	2.8
195.06680	15.5
279.22733	2.9
382.26935	2.8
497.25949	3.1
536.31958	2.5
629.20221	7.9
629.32446	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	88.7
60.99309	9.6
61.98843	100.0
71.01388	70.0
71.13483	16.2
73.02969	11.0
74.01907	6.9
74.76089	7.3
78.95898	15.1
83.01369	8.6
85.02959	17.3
87.00895	12.0
88.98806	49.1
89.02464	48.3
93.03477	46.0
96.96033	69.1
96.97004	7.7
101.02450	37.3
111.00914	11.7
111.08192	10.6
113.02468	28.6
119.03556	16.0
119.04984	14.6
124.01691	9.5
133.02968	8.9
135.04590	15.5
137.02531	14.0
143.03632	10.9
150.03267	13.9
151.00435	7.9
161.04643	8.5
163.04080	15.3
173.04565	17.6
176.04793	11.7
177.05571	27.0
179.00102	8.5
179.05621	13.9
191.05621	67.5
192.71997	7.8
195.06693	15.6
209.08206	8.6
215.57904	7.3
273.07767	10.8
333.09802	34.6
385.12943	9.1
609.14575	15.6
618.57202	8.9
627.17401	38.4
627.27838	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	4.5
59.01385	100.0
64.64867	1.3
65.86273	1.2
66.14898	1.4
69.23972	6.2
69.24394	6.4
71.01389	62.7
71.01787	3.0
72.99307	3.3
83.01404	2.3
85.02952	10.0
86.29422	1.2
87.00883	4.3
89.02452	96.5
95.01398	5.5
96.96017	4.8
97.02985	1.8
101.02457	32.0
102.02773	1.2
113.02465	24.3
119.03519	33.6
127.96280	1.3
131.03522	5.0
142.89137	1.4
143.03497	7.1
149.02519	2.0
149.04593	4.0
150.03226	3.6
161.04550	10.5
165.05586	5.8
168.26065	1.3
173.04568	1.4
179.05620	44.2
179.07198	2.3
191.05650	5.1
194.12315	1.3
195.06638	4.1
218.86679	1.5
227.03534	2.4
229.05113	1.9
255.02957	4.6
255.16048	2.2
255.23248	1.4
284.03284	6.1
285.03970	6.9
569.24585	1.9
593.15186	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	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	4.5
59.01386	100.0
59.25817	1.4
60.99301	1.6
61.47528	1.3
61.98838	11.3
63.96107	1.5
71.01390	62.1
71.33615	3.6
72.99321	4.8
73.02950	2.0
75.00899	4.6
78.95905	2.6
83.01437	1.9
85.02973	12.5
87.00879	4.8
88.98817	5.8
89.02454	88.8
93.03470	2.0
95.01397	5.5
96.96025	43.7
96.96982	5.3
101.02462	27.6
112.95426	1.6
113.02469	20.4
119.03518	31.5
121.02936	2.3
131.03505	3.6
143.03506	5.8
149.04597	1.9
161.02419	1.9
161.04572	8.0
173.04648	2.8
179.05623	35.1
179.07172	1.4
191.05626	6.5
193.01404	3.1
208.03699	2.8
209.08176	1.9
223.06201	8.6
312.84430	1.7
545.82178	1.7
627.32813	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	88.7
60.99309	9.6
61.98843	100.0
71.01388	70.0
71.13483	16.2
73.02969	11.0
74.01907	6.9
74.76089	7.3
78.95898	15.1
83.01369	8.6
85.02959	17.3
87.00895	12.0
88.98806	49.1
89.02464	48.3
93.03477	46.0
96.96033	69.1
96.97004	7.7
101.02450	37.3
111.00914	11.7
111.08192	10.6
113.02468	28.6
119.03556	16.0
119.04984	14.6
124.01691	9.5
133.02968	8.9
135.04590	15.5
137.02531	14.0
143.03632	10.9
150.03267	13.9
151.00435	7.9
161.04643	8.5
163.04080	15.3
173.04565	17.6
176.04793	11.7
177.05571	27.0
179.00102	8.5
179.05621	13.9
191.05621	67.5
192.71997	7.8
195.06693	15.6
209.08206	8.6
215.57904	7.3
273.07767	10.8
333.09802	34.6
385.12943	9.1
609.14575	15.6
618.57202	8.9
627.17401	38.4
627.27838	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.7
60.99307	2.0
65.03976	1.9
67.01885	1.1
69.28735	9.4
71.01386	1.5
78.95950	2.0
88.98812	8.0
89.02453	2.3
91.01900	27.3
93.03493	1.6
96.96037	6.2
101.02471	1.0
107.05023	1.3
108.02179	3.0
109.02967	29.6
113.03786	1.0
121.02961	3.1
123.04519	1.4
133.02893	1.2
135.00897	100.0
137.02420	2.8
149.02454	2.2
151.04030	1.4
153.01950	97.1
154.02173	1.9
165.01938	1.9
175.04004	2.9
177.01959	3.5
179.03464	1.0
191.03552	1.1
191.05623	2.8
197.06133	1.8
243.06645	10.3
259.09766	2.0
268.11896	1.3
297.06161	65.6
298.06662	2.8
405.11945	65.7
406.12271	4.2
465.14441	1.7
627.18848	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92075	1.3
59.01373	3.0
66.35570	2.1
68.24085	1.6
71.01394	6.1
71.56056	2.0
72.99297	2.5
73.02948	3.0
76.66149	1.5
80.91697	2.8
82.52081	1.3
83.01400	4.0
85.02979	4.5
87.00891	29.2
89.02437	1.7
93.03460	2.2
96.96012	8.4
96.96992	1.5
97.02937	2.1
99.00883	4.7
101.02456	2.2
109.02933	2.9
110.00116	1.6
111.00898	30.4
111.04507	1.5
112.98811	1.5
129.01956	2.5
131.03497	3.2
137.02463	16.6
147.03017	1.8
149.02452	4.0
151.04012	2.6
161.02451	4.3
162.03197	1.7
163.03963	2.4
164.01057	1.7
164.04802	12.8
165.01947	88.0
166.02628	5.5
172.43213	1.3
173.00984	1.7
173.04567	4.5
174.09373	1.4
176.04811	2.8
177.01935	3.4
178.06389	1.6
179.03508	27.1
179.07170	13.3
180.04294	57.9
181.05042	11.0
191.03664	1.5
191.05614	7.5
191.07159	1.8
192.04291	2.0
194.05841	9.6
195.06631	68.3
203.03419	1.7
205.05093	2.1
207.06609	1.5
209.08260	8.1
210.05360	13.6
211.05995	4.4
219.03113	3.2
219.06688	2.1
225.07697	33.8
234.05353	4.2
247.06068	1.6
249.04008	3.6
249.07712	4.6
264.06387	11.9
265.07230	8.6
279.08768	3.5
279.96118	1.3
291.08859	4.3
325.09421	2.3
337.09335	9.6
415.13654	1.8
427.13913	1.6
435.09424	2.5
443.13379	7.8
491.15631	60.2
492.15964	6.5
517.17151	2.4
535.18176	4.4
551.17712	3.5
609.18097	6.2
627.19305	100.0
628.20209	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	627.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01387	24.9
61.98818	3.6
67.01885	2.5
69.53124	20.6
71.01385	14.8
73.02946	3.3
78.95892	3.9
85.02946	12.4
87.00887	32.5
88.98795	7.2
89.02443	4.9
91.01910	15.8
93.03449	8.7
95.01347	4.0
96.96011	36.9
96.96955	4.2
98.20649	3.4
99.00882	5.5
101.02442	5.0
109.02953	19.1
111.00886	16.3
112.98817	4.4
116.92851	3.9
121.02960	4.9
123.00851	7.0
123.04440	3.3
127.04037	3.5
133.02925	3.2
135.00906	45.9
135.04521	2.8
137.02431	20.1
142.99927	2.9
149.02400	3.9
151.03963	5.6
153.01942	50.6
161.02412	5.3
163.04024	4.7
164.04834	6.3
165.01944	93.1
166.02660	11.0
173.00919	11.0
173.02238	3.1
173.04546	5.7
174.01668	3.1
175.03966	6.9
176.04730	7.4
177.01886	5.9
178.06393	3.2
179.03477	29.4
179.07092	9.3
180.04301	66.4
181.05063	12.4
188.04781	3.6
190.02568	3.0
191.03841	4.8
191.05617	29.8
191.07140	5.4
194.05844	12.0
195.03004	5.0
195.06627	81.7
203.03474	3.8
205.04988	3.6
206.05812	3.3
207.06705	3.0
209.08165	7.2
210.05315	15.1
217.04808	2.8
221.08170	7.7
225.07718	48.9
243.06587	4.7
249.07709	4.9
261.03937	5.4
262.04922	5.7
276.06378	3.1
277.07230	11.3
297.06140	31.0
337.09335	43.3
339.04974	3.3
375.14694	3.2
399.14368	7.3
405.11792	37.3
405.62082	2.8
406.12531	3.6
422.72141	2.9
443.13574	6.0
491.15750	23.0
503.15463	6.7
513.10352	4.7
515.15698	4.5
521.16284	5.7
563.17889	7.4
609.18146	20.5
627.19232	100.0
628.19250	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	625.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03442	2.8
59.01385	25.8
61.98835	11.6
67.01890	1.0
71.01389	28.8
72.99332	2.1
73.02954	7.3
74.13872	0.6
78.95930	1.3
83.01403	5.4
85.02960	12.9
87.00893	2.5
88.98807	1.3
89.02454	8.7
93.03445	1.8
95.01405	3.0
96.96020	5.6
96.96989	1.0
97.02979	1.0
99.00894	3.2
101.02454	18.9
102.66888	0.7
106.91032	0.7
109.02999	0.8
111.00863	3.5
113.02452	11.2
116.92879	1.2
117.01867	0.8
119.03516	2.8
119.05015	1.0
121.03037	0.7
125.02448	2.9
129.01938	1.3
134.03719	2.0
135.04553	1.4
137.02467	1.7
143.03502	0.8
149.04594	1.0
151.00410	0.9
159.03047	1.8
161.02435	1.8
161.04579	3.0
173.04573	3.4
181.05193	1.2
181.08702	4.5
191.05675	3.3
289.06982	0.9
303.19223	0.8
315.08807	1.3
319.11682	0.8
323.07819	0.8
463.32761	8.7
521.33606	1.5
544.27075	0.8
545.93622	0.8
565.32208	1.4
625.38214	100.0
626.38708	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	625.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63015	0.3
55.01884	3.3
57.03453	2.2
58.00595	0.7
59.01384	15.8
61.98833	0.6
62.59176	0.3
69.03501	0.4
71.01389	24.8
71.54961	0.4
71.55340	0.4
72.99316	2.2
73.02954	8.5
75.00880	0.7
83.01395	5.6
85.02960	13.9
86.00088	0.7
87.00873	2.4
89.02456	5.2
95.01388	2.4
97.02948	1.1
99.00897	3.9
101.02449	20.3
111.00896	4.9
113.02464	9.0
113.03259	0.4
119.03513	1.9
122.03709	0.5
124.01614	0.4
125.02477	0.5
129.01942	1.6
141.01923	0.9
143.03453	0.8
149.29805	0.4
151.07719	0.5
159.03029	2.3
161.04576	2.9
162.73186	0.4
168.12321	0.4
175.56488	0.4
179.05670	0.4
217.11958	0.4
301.27402	0.6
385.43631	0.4
403.10880	0.4
463.32840	11.4
565.32257	1.4
625.38074	100.0
626.38434	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03462	1.2
59.01387	25.7
61.98835	1.4
62.08176	0.8
68.15526	0.7
69.03455	0.7
71.01390	19.4
71.05032	0.9
71.56526	0.7
71.56949	1.0
72.99322	0.9
73.02959	5.2
75.00861	0.9
79.73399	0.8
80.02699	1.5
81.03465	2.7
83.01396	3.4
83.05038	6.6
84.02187	1.3
85.02956	6.9
87.00880	4.6
87.04517	1.2
89.02460	18.1
92.18034	0.7
93.03471	2.3
94.58100	0.8
95.01388	1.9
96.96022	2.8
97.02979	1.5
97.31822	0.9
99.00881	2.5
99.04525	0.9
101.02457	17.4
108.02166	0.9
109.02969	1.0
109.06618	1.2
111.04517	1.2
111.08182	1.0
113.02470	8.9
119.03519	4.2
123.04478	0.8
125.02451	4.2
125.06177	0.8
131.03461	1.8
135.04539	1.0
137.02499	1.5
143.03514	2.6
149.04565	1.2
150.03284	1.1
155.03484	0.8
161.04529	5.0
163.11301	4.1
165.05595	1.1
165.12874	2.5
173.04549	2.3
177.01959	2.3
177.05583	0.7
178.02698	1.3
178.36496	0.8
179.03461	1.2
179.05634	2.8
191.05618	8.7
191.10802	1.2
192.04288	3.1
193.04991	2.7
195.06638	1.2
207.06651	7.2
209.11848	100.0
210.12262	3.7
227.12906	19.3
235.08235	4.9
253.09206	1.3
255.10320	3.0
281.06616	2.4
287.07831	1.5
299.09293	1.0
305.08777	1.4
331.17487	0.9
373.12976	1.5
397.13522	31.8
398.13803	1.8
403.14026	3.6
415.14590	19.5
463.22025	2.5
463.74057	1.0
464.22528	1.0
465.22467	1.8
516.47278	0.7
544.27197	7.4
544.77277	4.3
545.27942	1.1
625.15802	1.7
625.29083	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	625.2507
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
51.39579	0.8
51.40909	0.8
57.03441	2.3
59.01385	21.2
61.98820	3.4
68.63326	0.8
71.01408	4.5
73.02931	2.7
78.14734	0.8
78.95899	0.9
83.01397	5.4
83.05021	2.0
85.02948	1.6
87.00892	5.2
89.02424	2.5
93.03461	1.9
95.05017	1.3
96.95991	3.4
96.96927	1.5
97.06571	1.6
97.75243	1.0
98.19924	1.9
101.02433	3.7
107.05054	5.7
113.02412	1.6
120.05806	2.0
121.02928	3.8
122.03754	8.2
125.02394	1.2
134.03757	1.0
135.04482	2.9
136.01636	1.4
138.02235	0.9
149.02493	2.4
149.06081	0.9
150.03242	66.0
151.00351	1.2
151.03760	2.9
152.04762	1.0
157.06622	1.3
161.02486	0.8
161.09743	12.5
161.13376	4.8
163.11284	1.4
164.63998	0.9
165.05588	100.0
166.05872	2.7
187.11288	17.1
189.07895	0.8
189.09241	7.9
191.05548	1.5
197.25642	0.9
199.06151	1.1
203.10657	2.0
203.31699	0.9
205.12357	6.8
207.10220	3.0
213.07671	8.8
219.10480	1.0
223.13405	2.0
231.10243	4.1
249.11310	6.8
255.03117	1.4
267.12387	3.7
271.02490	1.7
273.11166	1.8
281.29868	0.9
291.12372	1.3
299.01987	1.3
300.02695	2.7
314.04205	1.4
315.04926	2.8
333.13480	2.0
351.14276	1.1
411.16620	8.2
412.16876	1.2
463.08487	2.3
463.25354	1.0
519.10956	1.8
625.24701	56.5
626.25061	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82812	0.6
58.00587	1.3
59.01384	19.9
61.92708	0.7
61.98822	2.9
69.03457	1.4
69.40791	4.5
71.01388	17.5
72.99288	1.5
73.02941	3.2
80.02672	0.9
81.03463	1.5
83.01385	1.9
83.05034	6.9
84.02168	1.6
85.02972	3.9
87.00883	3.7
88.98843	0.9
89.02454	16.6
93.03468	1.3
95.01362	1.5
96.96032	6.8
97.02958	2.2
99.00903	0.7
99.45549	0.8
101.02455	12.0
113.02475	6.0
119.03503	4.6
120.99646	0.8
121.02938	2.0
125.02480	4.6
125.06098	0.8
131.03499	1.4
135.04544	0.9
135.08170	1.0
137.02425	1.1
143.03508	3.1
149.04539	1.5
151.00340	0.8
161.04568	2.7
163.11296	5.0
165.12854	3.0
173.04581	1.3
179.05714	3.3
191.05678	4.1
191.10812	1.6
209.11842	100.0
210.12225	3.5
212.17754	0.6
227.12878	17.9
227.15126	1.1
235.08191	5.9
245.06534	0.9
253.09340	1.3
271.02542	1.2
299.02094	1.6
305.08875	1.4
316.02182	1.2
317.02740	1.1
343.12006	1.0
397.13519	27.8
398.13736	1.7
403.14014	2.0
415.14609	19.3
463.21790	1.2
478.54486	0.9
625.14490	2.5
625.27618	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03445	3.6
59.01386	32.5
61.98830	3.4
68.38918	1.3
69.24522	10.8
71.01010	2.4
71.01389	35.6
72.99308	1.7
73.02958	10.9
75.00915	1.4
83.01381	5.0
85.02960	12.9
85.20539	1.2
87.00881	2.6
89.02466	8.7
90.32611	1.0
93.03443	1.3
95.01399	2.9
96.96012	2.9
97.02969	3.0
97.06574	1.7
98.20660	2.0
99.00883	8.3
101.02447	26.0
113.02459	13.5
113.49215	1.2
114.05563	1.6
115.04005	1.9
116.92870	2.2
125.02409	2.1
127.07655	1.8
133.02892	1.3
135.04538	3.3
137.02452	1.8
143.03485	2.3
149.04628	1.7
159.02997	4.2
159.06606	4.2
159.10301	10.0
161.02489	2.6
161.04564	14.6
165.05557	1.7
171.06631	2.6
173.04552	2.8
183.06656	1.8
191.05589	8.9
207.10236	5.3
225.11235	4.0
233.06734	2.8
239.00365	1.4
241.05101	4.5
256.07388	1.6
265.48151	1.1
271.09653	3.0
300.02783	1.4
331.17694	9.8
333.96146	1.3
389.10907	1.6
389.16141	2.5
397.13702	2.1
463.21884	100.0
464.22104	5.5
519.28094	12.2
537.29376	3.7
538.57104	1.4
563.27173	2.5
574.35114	1.1
623.25360	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	625.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05507	1.7
51.22309	1.7
57.03449	2.5
59.01391	11.3
61.44218	2.2
64.15801	2.0
68.99818	11.0
71.01402	12.2
71.54712	3.3
72.99304	3.6
73.02932	3.7
75.00900	2.3
81.03457	2.2
83.01375	3.5
85.02949	6.3
87.00879	21.3
89.02460	5.6
90.45130	2.0
93.03456	6.8
96.96014	10.5
97.02941	2.1
99.00882	10.5
100.01678	40.4
101.02444	6.2
103.00400	2.7
109.02955	4.1
110.00109	1.9
111.00906	15.1
112.01659	6.8
113.02450	4.4
114.38418	1.8
120.42423	1.8
121.03017	2.0
123.00883	8.0
124.01656	2.0
125.02478	9.7
129.01933	3.0
129.77594	1.8
130.02753	14.2
131.03455	2.6
133.02960	4.2
135.04518	2.7
137.02422	4.5
138.03261	14.3
139.03998	7.1
144.89307	1.7
149.02402	5.4
151.00446	2.5
151.04016	6.4
153.01906	6.3
153.05573	20.6
161.02475	10.4
162.03192	3.4
163.03957	4.1
164.04797	20.2
165.01950	5.6
165.05554	2.7
166.02681	7.8
166.06381	3.3
168.04288	10.7
171.02954	4.2
173.04552	4.5
175.00357	8.2
175.02583	2.5
175.04036	3.4
176.01195	9.3
176.04776	4.8
177.01924	15.2
177.05559	2.8
178.02673	7.0
178.06366	4.4
179.03569	16.9
179.05746	2.6
179.07152	38.6
180.04266	2.8
180.07463	2.4
181.05077	6.7
183.06528	3.3
188.04701	2.0
190.02783	2.3
191.03516	13.5
191.05426	15.1
191.07108	4.5
192.04343	19.5
192.05963	3.6
193.01443	13.7
193.05080	9.1
193.08662	6.6
194.05849	11.0
194.71091	2.2
195.06717	3.1
203.03645	2.5
205.05051	5.4
207.06641	24.4
208.03807	19.4
209.04466	5.3
209.08153	17.9
209.11722	8.6
223.06125	46.0
224.06720	1.9
234.05347	5.3
235.06009	4.2
246.05296	4.3
249.07768	5.4
251.05606	3.0
261.07571	2.4
263.05591	16.7
264.06317	11.0
265.07211	9.8
266.07928	6.7
276.06415	2.0
277.07144	3.3
279.08780	4.1
291.08798	3.4
296.09061	3.0
299.02075	3.7
309.09644	2.7
311.07596	3.5
321.09802	6.9
323.07953	3.1
324.08466	2.3
325.09506	3.0
327.10342	1.8
337.09131	4.8
377.12463	3.2
400.10120	100.0
401.10596	6.0
401.77493	1.8
415.14520	2.5
459.12753	2.2
461.14349	2.2
463.12164	2.4
473.14694	7.3
477.45706	2.2
489.13983	12.8
515.16016	4.1
545.16791	11.0
549.16150	6.9
561.16144	3.4
581.18573	4.5
595.16931	4.5
607.16736	30.1
608.16882	4.5
625.17725	95.3
626.18066	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	623.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82724	1.0
54.39662	1.3
57.03460	2.6
59.01387	25.4
61.98836	3.7
69.26144	6.1
70.57899	1.0
71.01398	6.8
73.02956	3.5
78.95927	1.1
83.01402	3.9
83.05039	1.9
85.02955	2.8
87.00892	5.0
89.02448	2.3
93.03458	1.5
96.96016	8.4
97.06551	1.2
98.19858	2.2
101.02464	6.1
107.05058	2.1
108.02190	2.3
109.02961	1.5
111.04553	1.3
113.02502	2.8
120.05855	1.7
123.04608	1.9
134.03761	100.0
135.04637	5.7
136.01675	75.0
137.02493	2.8
149.06097	95.5
150.06480	1.8
151.04019	84.1
152.04457	2.0
154.26567	1.0
159.11821	1.3
161.09740	7.3
161.13380	2.8
167.00577	1.2
173.04572	3.7
178.02765	2.4
179.10756	1.3
181.04985	1.4
187.11322	8.8
189.09254	7.3
191.05669	2.6
193.05002	7.4
202.30183	1.1
203.10789	2.2
205.12364	4.6
207.10283	3.0
211.06093	12.7
223.13429	4.1
231.10298	3.3
249.11282	5.6
267.12436	3.5
271.02573	1.5
273.11456	1.5
287.22369	4.0
291.12341	1.8
299.02097	2.4
314.04498	1.3
315.05231	2.5
325.78094	1.2
333.13583	1.7
372.66534	1.1
373.11368	23.4
374.11560	1.2
411.16528	13.3
449.27560	10.4
561.23755	2.2
563.21222	9.7
605.22491	3.9
623.23621	88.2
623.33173	11.0
624.23663	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	623.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57824	3.1
54.45184	2.9
56.27132	2.7
59.01385	100.0
61.98835	21.0
67.56406	3.0
71.01385	24.3
71.40208	2.9
73.02948	7.6
75.00873	5.8
82.95448	3.6
83.01395	3.6
85.02962	14.2
87.00871	5.4
89.02474	8.3
92.34748	3.0
93.03454	3.5
96.96022	17.1
101.02451	20.7
113.02474	8.1
125.02508	5.6
131.03549	3.4
137.40636	3.1
173.04538	4.1
191.05591	19.2
191.07152	4.4
207.10022	3.2
225.11227	3.2
249.42139	3.5
281.43518	3.1
295.33679	3.1
375.23834	3.6
415.14703	3.8
457.53748	3.4
519.28125	59.6
520.28436	7.8
531.60980	3.2
537.29205	23.8
563.27136	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	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.82784	1.9
69.66438	4.9
69.66850	5.2
71.01385	17.8
73.02953	7.1
78.95892	2.2
85.02968	9.2
87.00928	2.3
89.02434	5.5
96.96012	8.0
98.19903	3.4
98.95596	5.5
99.00899	2.9
101.02448	22.4
113.02455	8.3
142.77522	2.4
161.04555	6.4
173.04529	4.3
174.29224	1.7
179.05470	1.9
191.05606	12.8
196.86296	1.9
201.65060	1.7
517.26654	34.6
535.27582	11.0
577.28357	4.1
577.36603	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	623.162
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
58.12743	0.8
65.00328	1.5
68.81519	0.7
69.32807	5.7
69.71770	0.8
72.91441	0.8
73.45933	0.8
98.20600	1.5
103.56866	1.0
106.99018	1.0
107.01388	1.0
151.00410	5.6
155.05035	0.9
163.00383	0.9
183.04512	2.2
199.04047	7.5
201.01982	1.8
203.03445	1.3
211.04089	0.9
215.03503	4.2
218.08298	0.8
219.06642	0.9
227.03491	7.8
242.02237	4.0
243.03008	35.7
244.03688	2.6
255.03018	27.5
256.03406	1.0
257.04584	4.4
259.06180	1.4
270.01718	5.5
271.02509	61.8
272.03006	4.9
285.04166	5.8
286.04770	1.8
287.05429	1.5
299.01999	43.0
300.02759	36.3
314.04373	26.8
315.05124	100.0
316.05368	3.6
397.21027	1.0
532.68390	1.0
623.16229	87.9
624.16541	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49042	0.9
59.01385	100.0
60.99311	1.7
61.98835	4.0
69.38950	6.3
70.01003	1.0
71.01389	21.5
72.19343	1.1
72.99313	1.6
73.02959	6.3
75.51987	1.0
76.71934	0.9
78.95915	3.8
79.95730	1.7
80.91672	5.3
83.01390	2.1
85.02967	10.3
86.61974	1.1
87.00877	1.9
88.82035	0.9
88.98807	10.9
89.02447	6.6
93.03477	2.8
95.01410	0.9
96.96021	32.5
96.96925	4.8
97.02958	1.1
98.20599	2.2
98.95589	5.9
99.00874	2.9
100.54405	1.0
101.02453	14.7
111.04557	1.3
113.02462	10.4
118.83797	1.1
119.03485	3.0
135.04462	1.4
141.01738	1.8
143.03477	2.4
149.02319	0.9
159.02988	1.0
161.04601	6.1
173.04532	3.0
179.03520	1.3
191.05656	6.2
285.11298	3.1
356.91107	1.3
372.08755	1.0
380.27887	1.0
382.14325	1.2
517.26599	41.2
518.26672	2.9
535.27429	11.9
577.35931	1.7
621.18512	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	621.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80130	0.5
59.01382	3.0
61.98820	2.2
62.16625	0.6
69.50313	2.0
69.50723	1.8
70.50890	0.5
71.01379	1.3
78.95902	1.9
85.02939	0.7
89.02457	0.8
91.47074	0.5
93.03425	0.7
95.01414	0.6
96.96029	9.2
96.96979	1.8
98.21143	0.5
98.95605	0.8
101.02460	0.9
103.76648	0.5
105.10253	0.5
109.02981	2.9
111.00912	0.7
113.02419	0.9
116.92871	1.8
121.02868	0.6
123.00888	2.1
123.04529	0.6
125.02402	0.8
137.02469	8.1
138.03203	1.0
139.00357	1.1
139.04054	0.8
149.02496	0.9
151.00383	19.2
151.04042	2.2
152.01115	1.6
152.04770	1.9
165.01956	0.9
166.02728	55.6
167.03444	2.8
175.03993	1.0
177.01965	2.7
181.05083	66.3
182.05373	1.7
184.03867	0.8
190.06380	1.1
191.03645	0.8
191.05627	1.5
192.04253	1.3
193.05121	1.0
205.05028	1.4
205.08670	1.3
207.06619	1.1
233.31032	0.6
301.07071	0.9
357.09543	1.1
359.11249	1.4
371.14969	0.7
387.10873	14.8
388.11496	0.8
402.13272	7.4
417.15564	100.0
418.15912	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	619.3858
Annotation	Cimigenol 3-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
53.66765	0.2
58.00587	0.4
59.01382	6.7
65.38146	0.2
71.01019	0.3
71.01392	4.0
71.05021	0.7
72.99306	0.6
73.02959	0.2
83.01382	0.4
84.11520	0.2
85.02944	0.9
89.02452	4.2
96.96038	0.3
98.19888	0.5
101.02457	2.2
113.02451	0.4
128.98329	0.2
131.03513	2.1
149.04497	0.2
267.19730	0.2
362.68536	0.2
431.80859	0.2
469.33087	0.4
559.36420	0.3
575.39667	0.6
601.37476	11.2
602.37671	1.1
619.38519	100.0
620.38818	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	621.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	91.2
59.68073	2.9
61.98814	3.7
68.32039	2.8
68.52763	3.4
69.59271	7.8
69.59681	10.4
70.42508	3.0
71.01389	61.1
72.99310	5.8
78.95903	14.7
83.01346	3.0
85.02962	19.7
87.00893	8.5
89.02454	100.0
93.03461	11.3
96.96025	79.2
96.96978	11.8
98.20648	4.0
98.95646	4.5
99.00893	4.9
101.02448	34.8
113.02464	26.5
117.04301	3.3
119.03509	47.1
125.02479	4.8
131.03503	10.4
133.28239	3.2
135.04526	4.1
141.01741	7.3
143.03519	12.6
149.04593	7.6
149.05855	3.1
161.04601	15.2
173.04550	11.6
179.03413	4.4
179.04048	5.0
179.05641	62.6
181.05005	3.4
191.05614	57.0
194.43243	2.9
269.89188	3.0
302.32617	3.3
314.12836	3.7
335.12439	5.0
375.14487	5.4
417.15372	7.4
419.54434	3.4
561.25513	7.1
621.23956	11.6
645.54181	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	619.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
61.98830	0.8
71.01392	0.8
71.55969	0.3
78.91891	0.3
78.95912	15.9
79.95755	3.2
89.02470	0.7
92.29253	0.3
96.96024	100.0
96.96949	26.3
101.02467	0.3
107.41216	0.3
113.02415	0.4
116.92850	0.5
150.03232	0.4
173.04662	0.3
191.05661	0.4
194.34528	0.3
221.51630	0.2
337.14810	0.3
376.22745	0.3
507.45386	0.3
559.20557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79973	0.3
55.31340	0.2
55.42842	0.3
58.00575	0.4
59.01384	12.7
59.16855	0.2
61.98849	0.6
69.28243	0.4
69.28646	1.9
71.01390	6.0
71.05038	0.2
72.99311	0.8
73.02951	0.5
75.00900	0.3
78.03686	0.3
78.95929	0.3
85.02943	1.8
87.00893	0.4
89.01939	0.5
89.02455	6.5
93.47245	0.2
95.16282	0.2
96.96031	0.5
97.02939	0.3
101.02444	3.1
113.02445	0.6
131.03499	2.2
149.04556	0.8
156.75497	0.2
168.28116	0.3
272.85501	0.3
341.10907	0.4
399.43222	0.3
487.33847	0.4
575.39282	0.3
589.37622	0.6
601.37506	6.5
602.38019	0.8
619.38531	100.0
620.38867	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	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
56.40273	0.4
58.89257	0.3
60.69358	0.4
61.04606	0.3
69.40217	0.4
69.40530	3.0
70.97150	0.3
78.56182	0.3
83.73595	0.3
85.23550	0.4
91.12797	0.4
93.03453	0.5
97.06593	0.7
114.05881	0.4
117.03484	3.7
119.05037	57.1
120.05398	1.4
123.59585	0.4
132.05827	1.6
135.04549	0.6
145.02969	4.2
148.34695	0.4
152.59871	0.3
163.04024	67.5
164.04391	2.2
391.29910	0.5
453.33762	22.3
454.34195	2.4
617.38495	100.0
618.38812	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	619.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17200	0.8
59.01386	10.2
60.99311	1.0
61.98828	5.9
65.32580	0.7
71.01395	10.0
73.02937	2.1
78.95918	3.9
79.95751	1.0
83.01392	1.2
85.02953	2.9
87.00845	0.9
88.98822	5.1
89.02442	4.8
92.27574	0.9
96.96021	32.9
96.96989	3.5
99.00867	1.2
99.21373	0.8
101.02464	4.1
101.06068	1.5
107.05025	3.9
108.02197	4.4
109.02953	9.4
113.02438	2.4
115.00409	5.0
119.03490	1.8
121.02930	1.2
122.03759	18.3
123.04511	1.4
124.01690	8.3
131.03363	1.2
133.02963	22.7
134.03810	3.9
135.04526	3.5
136.01671	2.2
137.02452	4.1
145.02942	1.1
146.03729	1.2
147.04543	13.1
148.05351	8.9
149.06088	4.0
151.00369	1.4
151.04016	3.6
151.26968	0.9
154.02757	4.8
159.04498	0.9
161.02477	1.2
161.04764	1.4
161.06071	12.0
161.16606	0.8
163.03981	2.9
165.01808	0.9
173.04562	1.9
179.03491	2.2
179.05600	1.2
191.05646	2.8
193.05070	0.9
213.05478	1.8
221.45062	0.8
225.05365	0.8
241.05128	4.1
242.05838	15.1
251.07193	1.0
255.06586	2.5
256.07364	1.8
257.08200	15.2
268.07495	0.9
269.08096	5.0
270.08987	14.9
272.39334	0.8
283.09766	5.5
284.10370	1.4
285.11346	100.0
286.11594	5.4
301.07230	1.4
305.78754	0.9
311.09412	1.0
329.10336	9.8
373.09482	5.8
421.20847	2.6
454.41415	0.8
466.52994	0.8
470.64755	0.9
503.19263	1.7
559.27893	2.1
583.26105	9.7
590.94366	1.0
619.20404	48.3
619.31116	3.4
620.20154	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	617.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72277	0.6
54.81423	0.6
59.01382	1.2
59.56287	0.7
78.95915	100.0
81.03465	0.6
82.04157	0.6
83.05020	0.9
96.96024	0.9
96.96980	8.4
97.02935	1.6
109.06605	8.3
122.64745	0.6
126.70449	0.7
134.98549	1.7
140.85934	0.6
150.33568	0.6
150.98061	1.4
152.99614	62.1
163.11328	3.6
172.85454	0.8
181.12349	1.8
190.26465	0.6
203.21080	0.7
207.10306	11.5
225.11354	15.1
241.08957	0.6
255.23329	88.6
256.23676	4.8
274.52414	0.7
327.09109	0.6
361.10574	13.2
379.11630	1.3
391.22620	26.0
392.22729	1.6
409.23682	18.1
410.24051	1.2
518.71204	0.8
617.34625	30.3
618.34814	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	617.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.9
60.75804	1.2
61.69445	1.3
61.98831	3.9
71.01389	15.4
71.54266	1.3
71.54688	1.8
78.95910	4.4
89.02458	17.5
101.02446	7.3
105.53600	1.3
108.61162	1.4
113.02455	4.2
119.03503	4.5
125.02286	1.2
128.98273	1.5
149.04604	1.4
152.99605	2.3
156.97839	2.2
161.04488	1.5
162.83864	2.2
173.87589	1.3
179.05611	8.9
253.21928	1.7
259.41824	1.4
323.46655	1.6
427.64175	1.4
437.30621	100.0
438.31006	11.6
455.35248	6.0
522.13336	1.7
617.35327	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48137	0.3
61.84859	0.3
70.58212	0.6
70.58578	0.6
78.95928	0.5
93.03466	0.6
97.06625	0.4
117.03472	3.2
119.05038	55.6
120.05370	1.3
121.02975	0.5
132.05835	1.3
144.13200	0.3
145.02966	4.8
163.04025	65.6
164.04309	1.5
175.04085	0.3
232.34338	0.3
257.66306	0.3
280.00317	0.4
282.54599	0.3
391.30042	0.9
407.32922	0.6
453.33755	23.1
454.34177	2.3
617.38495	100.0
618.38904	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	617.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98825	2.7
66.50031	0.8
71.18884	1.5
78.95913	100.0
81.03481	1.2
96.96976	8.0
97.02983	1.8
109.06609	6.4
134.98587	1.8
152.99609	62.6
163.11273	4.2
165.33191	0.9
171.00671	1.6
181.12422	1.2
182.17897	1.1
207.10289	12.4
225.11310	13.7
232.69002	0.9
255.23320	92.4
256.23602	4.3
306.16653	1.0
361.10681	12.3
379.11539	2.5
391.22601	25.6
409.23621	15.4
410.23807	1.2
484.51523	1.1
617.34558	32.8
618.35059	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
62.96402	1.0
69.95773	2.0
69.96162	2.9
78.95911	100.0
86.43175	0.8
96.96957	9.3
97.02963	1.5
101.86517	0.9
105.52147	0.9
109.06600	10.3
134.98497	1.7
152.99599	63.9
163.11301	3.8
181.12305	1.9
206.60585	0.9
207.10252	14.4
214.27249	1.0
225.11322	13.4
226.11562	1.0
239.44141	0.9
250.97620	1.0
255.23308	97.0
256.23514	4.5
285.09494	0.9
285.99142	0.9
348.75037	1.0
361.10565	13.2
362.10815	1.1
379.11639	2.1
391.22546	24.9
392.22943	1.6
409.23624	18.2
617.34589	37.6
618.34949	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	615.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	29.4
59.01358	29.2
61.98832	46.9
71.56245	29.5
78.95908	63.7
102.50025	28.1
105.32358	26.6
127.70029	27.1
137.09648	26.1
145.02879	29.5
152.99588	45.6
163.03975	34.5
226.31691	25.8
255.23309	29.6
385.22083	26.9
410.72501	30.7
597.39752	39.5
615.40039	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	617.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90257	0.2
59.01379	0.2
61.98807	0.2
69.15903	0.2
69.43818	0.5
69.44232	0.8
71.01378	0.4
78.95916	13.0
79.95743	2.8
85.02953	0.2
87.68510	0.2
94.90377	0.2
96.96027	100.0
96.96944	19.1
97.95963	0.3
98.20670	0.3
121.02983	0.7
191.05643	0.5
462.59338	0.2
557.18640	0.3
617.21887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3539
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
50.35269	0.3
55.01861	0.8
57.03449	2.6
59.01368	1.3
68.99813	0.5
70.58227	1.0
71.01381	2.8
72.99310	2.8
73.02955	0.6
75.00874	24.7
76.95744	0.4
82.79947	0.3
83.01379	0.6
85.02957	11.9
87.00885	1.7
89.02460	0.5
95.01407	1.8
99.00875	1.3
102.55461	0.3
104.51441	0.3
111.00879	0.5
112.01666	1.1
113.02454	5.7
115.00342	1.1
116.01139	0.8
117.01905	0.6
129.01933	0.8
157.01424	0.9
175.02483	0.9
233.88583	0.4
246.48116	0.4
284.77072	0.3
298.60345	0.3
333.09177	0.3
415.42569	0.3
423.33176	0.6
437.30496	3.0
439.32150	16.7
440.32550	1.3
471.31201	1.9
493.33395	1.8
497.32886	1.1
511.34906	0.4
539.33942	0.8
547.46851	0.4
597.34686	1.4
615.35376	100.0
616.35718	11.8
616.45819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3541
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
56.13448	0.9
57.03435	1.1
59.01373	3.4
61.98842	0.9
71.01381	4.4
71.43007	0.8
71.54955	1.3
72.37600	0.8
72.99292	2.7
75.00471	1.7
75.00879	24.0
75.01308	1.3
78.14053	0.9
78.95904	1.3
83.01397	1.2
85.02958	12.5
87.00873	1.1
95.01395	2.0
96.96013	2.5
99.00894	2.4
112.01655	1.3
112.29447	1.0
112.82940	0.9
113.02441	6.2
115.00375	1.1
129.02029	1.0
147.01788	1.0
150.24660	0.9
152.99553	1.4
157.01518	1.7
170.36375	1.0
171.10236	1.8
242.23958	0.9
301.81946	1.0
374.99014	1.0
393.31665	1.6
395.33224	5.0
408.73126	1.0
437.30777	1.1
439.32175	3.8
471.30728	1.2
571.36456	2.2
615.35425	100.0
616.26202	1.6
616.35602	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	615.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59966	0.3
58.69511	0.3
59.01380	2.5
61.98817	0.4
64.87846	0.3
69.48039	0.7
69.48451	1.7
71.01395	2.5
78.95908	23.3
79.95741	3.2
81.03461	0.4
85.02959	0.5
87.00881	0.7
89.02443	2.3
93.03465	1.0
95.33756	0.3
96.96011	100.0
96.96962	39.8
98.95584	1.6
98.96442	0.6
101.02435	1.1
113.02470	0.6
119.03479	0.4
121.02995	0.5
135.04555	0.9
137.02411	0.5
151.00365	0.4
165.01923	1.9
165.05577	0.5
166.16757	0.4
173.04576	1.6
179.03519	1.2
180.04227	1.1
191.05647	2.9
195.06659	2.3
207.06520	0.5
225.07498	0.3
304.08047	0.3
353.08615	0.6
378.87598	0.4
435.15350	0.5
461.09012	1.0
555.17737	0.8
615.19946	0.7
615.29346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35724	9.8
59.01383	14.0
60.99322	12.2
61.98843	14.5
66.67423	9.0
71.55110	9.4
71.55513	19.7
78.95914	21.6
87.29506	9.8
89.02457	14.1
131.92467	9.4
150.98097	12.1
152.99605	26.0
156.97762	29.3
182.98624	11.4
191.14467	14.0
255.23206	10.6
279.23453	9.6
288.07617	9.9
389.28592	51.0
405.27747	11.9
423.29007	100.0
467.28021	22.2
532.73065	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	613.3385
Annotation	Sch 601324
Peak:m/z	Relative Intensity
55.01874	1.1
56.93111	0.6
57.03455	2.8
59.01361	2.0
65.20517	0.4
68.99809	0.5
69.03447	0.7
70.83554	1.0
70.83909	0.7
71.01382	4.5
72.99310	3.9
73.02938	0.7
75.00877	29.2
75.54806	0.5
82.92464	0.5
83.01368	1.0
83.05015	0.5
84.86132	0.4
85.02460	0.9
85.02953	12.2
86.10165	0.4
87.00879	2.0
89.02476	0.5
95.01404	2.5
97.03017	0.6
99.00896	2.4
112.01671	0.9
113.02456	6.5
115.00344	1.0
116.01166	1.5
117.01936	1.6
129.01868	0.8
140.44460	0.4
157.01416	1.0
175.02507	1.1
189.88766	0.5
205.98853	0.4
236.87253	0.5
391.29929	0.9
393.31790	3.4
423.70630	0.5
425.30725	0.8
435.28940	2.5
437.30600	10.8
438.30890	0.9
469.29337	1.4
495.31189	1.0
545.67419	0.5
591.90790	0.5
595.33087	1.0
613.33807	100.0
614.34186	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	613.1074
Annotation	dCMP dimer
Peak:m/z	Relative Intensity
50.44183	0.1
59.01375	0.3
59.66249	0.2
66.96529	0.1
71.01387	0.2
73.02839	0.2
76.58834	0.1
77.77456	0.1
78.95911	12.0
79.95740	2.9
88.72755	0.1
96.96021	100.0
96.96939	19.0
97.95973	0.2
103.86304	0.1
115.34282	0.2
133.29286	0.2
191.05637	0.4
229.60484	0.2
241.98091	0.2
242.01236	0.2
353.08936	0.9
613.12006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70618	0.2
55.01875	0.7
57.03455	2.3
59.01387	1.8
64.42166	0.2
67.01865	0.4
68.99813	0.4
71.00092	0.5
71.01385	6.6
72.99306	3.5
73.02952	0.5
75.00877	20.5
79.19409	0.2
83.01372	0.4
83.05026	0.5
85.02955	10.9
87.00893	2.0
89.02452	0.8
95.01389	1.7
96.30347	0.2
99.00891	2.1
111.00937	0.2
112.01662	1.3
113.01724	0.3
113.02457	4.8
115.00349	0.9
116.01135	0.8
117.01952	5.6
123.08183	0.4
129.01936	0.6
145.57701	0.2
157.01392	0.7
158.91339	0.2
175.02463	0.9
231.68225	0.2
243.75446	0.3
346.84210	0.3
351.37802	0.2
372.08771	0.2
374.26181	0.3
375.26807	0.5
389.28439	0.7
391.30154	1.3
393.31628	1.8
409.13620	0.2
423.29056	0.3
425.30566	2.1
430.24451	0.3
435.29080	2.8
437.30618	10.2
438.30890	0.6
451.31915	0.7
469.29782	1.2
495.31360	0.5
523.72119	0.2
560.44434	0.3
569.34845	0.2
595.32697	0.8
613.33801	100.0
614.34149	10.1
641.00500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52753	0.2
59.01387	6.4
60.01724	0.2
61.98833	0.5
69.53483	1.2
71.01385	0.8
72.29205	0.2
78.95927	0.2
79.65041	0.2
79.95749	2.9
85.02960	0.7
87.00916	0.2
89.02466	0.2
92.43352	0.2
93.03471	0.7
96.96021	100.0
101.02460	0.3
111.04490	0.3
116.92909	0.3
121.02982	0.2
127.04033	0.2
132.63110	0.2
133.02953	0.4
134.03775	0.4
135.04546	5.0
149.02423	0.2
161.02438	0.7
166.06363	1.0
173.04555	1.5
174.04852	0.2
176.45227	0.2
179.01923	0.3
179.03514	6.0
181.08688	1.2
191.05638	10.2
192.06015	0.3
243.03276	0.2
353.08780	10.4
354.09113	0.6
391.17786	0.7
471.74771	0.3
515.12164	2.1
553.06958	0.3
613.11969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17497	0.2
59.01384	5.7
60.29858	0.2
61.98816	0.3
67.30179	0.2
70.77680	0.6
71.01390	0.6
74.74790	0.2
75.00900	0.2
79.95753	2.6
83.01470	0.2
85.02959	0.6
88.69632	0.2
91.19838	0.2
93.03468	0.3
94.99131	0.2
96.96021	100.0
101.02428	0.3
108.21611	0.2
111.04592	0.3
116.92852	0.3
128.98567	0.2
133.02966	0.2
134.03795	0.3
135.04538	5.5
151.38004	0.2
155.03532	0.4
161.02466	0.8
166.06355	0.8
173.04573	1.0
179.03506	5.5
179.09317	0.2
181.08723	1.4
191.05617	9.8
192.05974	0.4
196.63788	0.2
353.08783	10.5
354.09201	0.6
360.15228	0.3
372.15051	0.2
391.17676	0.6
515.12012	2.2
516.12195	0.3
553.06592	0.3
613.12177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77029	0.1
59.01379	0.6
61.98833	0.3
67.56166	0.1
71.01392	0.2
71.57159	0.2
74.40815	0.1
79.95750	2.7
93.03456	0.6
96.96021	100.0
97.95953	0.2
101.02521	0.1
135.04565	1.6
137.02492	0.4
168.79822	0.2
173.04582	2.4
179.02060	0.2
179.03542	2.0
191.05602	1.1
193.13995	0.1
203.03526	0.2
227.09030	0.1
244.58148	0.1
353.08755	2.7
393.92551	0.1
425.47168	0.2
515.12000	1.7
544.23938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93861	1.1
59.01385	1.4
70.96454	1.2
70.96796	2.9
71.01382	1.2
74.37104	1.3
78.95911	39.8
79.95742	3.6
96.96021	100.0
96.96973	53.5
96.97607	2.4
116.92831	1.9
198.29053	1.2
277.21741	4.4
351.06091	3.3
407.17545	1.5
529.30957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56080	0.8
55.01884	3.4
57.03457	3.3
58.00613	2.2
59.01387	52.1
60.99335	2.4
61.98837	69.6
67.01908	2.0
69.03481	1.3
71.01389	48.0
71.05046	1.3
71.16688	2.0
72.99320	5.3
73.02959	14.4
75.00890	1.6
77.63305	0.8
78.95922	1.0
81.03496	1.6
82.95442	1.5
83.01392	10.9
83.05035	2.1
85.02956	22.7
86.00093	1.8
87.00879	6.2
88.98812	18.9
89.02459	23.9
93.03473	7.1
95.01430	3.3
96.96025	7.8
97.02980	3.6
99.00880	6.0
101.02455	32.0
107.05045	6.0
109.02995	2.9
111.00893	8.2
111.04548	2.1
113.02471	12.6
117.03572	0.9
119.03545	2.2
123.04546	1.1
125.02447	5.0
129.01932	1.4
131.03513	9.2
133.03024	0.9
134.03745	0.9
135.04536	7.4
136.04845	1.0
137.02480	1.9
139.03989	0.9
143.03540	2.5
143.55623	0.9
145.02997	0.9
147.04630	1.0
149.04581	4.5
151.04036	1.4
153.01973	2.2
155.03612	1.7
159.03072	2.6
161.02541	1.7
161.04617	3.5
171.52740	1.0
173.04578	10.3
177.02019	1.0
179.03566	3.3
187.07663	1.0
190.02750	1.4
191.05640	22.5
197.04608	1.7
213.02098	1.5
213.18707	3.0
229.01550	1.5
233.06729	2.9
240.00797	1.0
241.01457	1.5
253.05098	1.3
258.01633	2.3
267.06747	1.2
271.09933	1.4
275.09326	1.4
279.02972	1.4
280.03830	2.6
281.04730	1.4
283.99646	1.0
285.00430	11.4
286.01059	0.9
293.04709	1.3
295.06226	2.8
315.25452	2.7
317.26984	8.0
321.04196	1.9
322.04840	1.9
353.09012	2.2
359.11252	1.4
389.15970	2.1
393.14120	1.1
413.21902	2.3
419.11456	2.4
431.26694	8.3
437.12949	1.7
448.04590	1.7
449.05112	1.8
449.14548	1.8
461.31107	5.7
479.32263	79.0
480.32565	5.0
504.44434	0.9
514.11755	1.2
551.31036	1.2
593.34814	1.2
611.10034	19.4
611.36627	100.0
612.11102	2.8
612.36926	8.5
639.42780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00408	0.6
56.23051	0.6
57.03437	0.9
59.01392	4.3
59.52388	0.7
61.98843	3.2
67.95934	0.7
71.01390	2.8
71.56484	0.9
78.95907	12.5
79.95732	3.5
83.10241	0.7
93.03474	2.2
96.96022	100.0
96.96944	20.6
99.00904	0.9
105.80208	0.8
107.32589	0.7
118.96659	0.8
135.04543	3.5
160.16231	0.7
161.02460	0.9
166.51501	0.6
173.04597	1.7
179.03569	2.1
191.05696	1.7
285.14072	0.7
308.08951	0.9
315.96954	0.8
449.14420	1.9
530.20099	0.8
611.23462	1.0
611.37994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
58.00606	1.1
58.81982	1.6
59.01386	72.7
69.73931	6.1
71.01385	30.5
81.71963	1.6
83.01389	2.1
85.02939	6.2
89.02452	29.3
95.01399	2.0
96.36060	1.5
98.20594	1.9
99.04523	19.4
99.81425	1.3
101.02447	14.4
101.63918	1.6
113.02466	12.1
119.03548	8.2
130.70616	1.7
161.04593	1.4
162.86006	1.6
179.05615	1.8
189.12830	5.3
207.13907	32.0
208.77316	1.5
251.12889	78.5
252.13231	3.8
269.13892	1.6
431.19196	100.0
432.19592	4.9
449.20163	1.9
458.05966	1.4
497.98651	1.3
568.12842	1.4
611.25531	80.3
612.26160	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	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	0.9
61.98840	1.0
69.64993	2.0
70.22010	0.3
71.01392	1.9
71.83599	0.3
72.75760	0.3
72.99297	0.4
73.02967	0.6
81.99203	0.3
85.02968	0.8
89.02475	1.9
95.01430	0.5
96.96051	0.9
101.02488	1.1
105.01936	0.4
113.02482	0.8
116.92902	0.4
119.03522	0.7
119.98833	0.3
135.04558	0.4
139.00397	0.3
150.03288	0.4
161.02556	0.4
161.04630	0.9
177.05721	0.4
191.05695	1.2
207.06664	0.3
250.73759	0.3
250.93835	0.3
270.09180	0.9
285.11386	0.6
299.09433	0.9
301.03278	0.5
311.09332	0.4
313.10843	0.5
314.08194	1.2
325.11008	0.4
326.11752	0.5
329.10300	2.7
341.10272	3.8
344.12634	4.7
356.12744	1.9
359.15042	16.7
360.15506	1.0
371.14987	11.0
371.19470	0.5
372.15350	0.8
389.16318	0.7
399.14737	1.5
432.40067	0.4
464.12338	0.3
611.16510	0.6
611.31970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	1.3
57.91486	0.9
58.00598	1.9
59.01385	46.1
59.36594	0.9
61.98836	7.7
67.01886	0.9
71.01385	30.1
71.57043	1.3
72.99319	3.7
73.02971	1.8
75.00867	2.9
83.01414	1.0
85.02951	8.3
87.00876	3.5
88.98808	2.5
89.02451	30.1
93.03463	2.9
95.01395	3.5
96.96024	15.3
99.00993	0.9
101.02452	18.5
103.00383	2.5
103.03973	1.2
111.00858	1.1
111.04546	1.7
113.02472	11.8
119.03511	13.5
123.00886	0.9
124.01676	2.3
125.02457	1.4
131.03500	1.5
133.02977	1.2
135.04526	2.0
139.04010	4.3
143.03487	2.6
145.03075	1.1
149.04529	1.7
150.57854	1.0
151.00369	2.6
151.03966	1.5
153.05637	1.5
159.04565	2.4
161.02435	1.0
161.04543	1.0
163.20520	0.9
166.02718	6.7
167.03343	1.1
173.04520	2.6
173.06052	1.4
174.03238	0.8
175.03979	1.7
179.05632	3.7
181.05095	5.0
187.03998	6.1
191.05644	8.8
192.04210	1.2
193.05006	1.1
201.05402	1.4
203.03415	1.4
207.06593	1.2
217.05049	1.8
218.05804	1.3
233.08176	1.1
239.07236	0.9
291.06805	1.0
293.04553	2.5
294.05417	1.1
300.02664	1.7
307.05951	1.2
307.10007	1.0
308.06888	2.8
309.07809	0.9
311.05194	1.3
322.08295	2.1
323.05753	1.5
323.09192	7.2
324.06302	1.3
337.10904	1.8
338.08218	1.1
338.11426	4.9
339.08664	2.1
339.12427	1.6
340.09610	1.2
341.10126	1.0
353.10336	4.7
368.12671	1.8
369.09494	12.0
369.13757	6.8
383.11438	1.6
384.12170	9.1
399.14493	100.0
400.14835	8.2
419.11313	1.2
431.13455	2.5
432.14142	3.8
437.12286	1.0
452.32758	1.0
529.76025	1.0
593.25006	1.0
611.16974	6.6
611.29669	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	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	1.3
57.91486	0.9
58.00598	1.9
59.01385	46.1
59.36594	0.9
61.98836	7.7
67.01886	0.9
71.01385	30.1
71.57043	1.3
72.99319	3.7
73.02971	1.8
75.00867	2.9
83.01414	1.0
85.02951	8.3
87.00876	3.5
88.98808	2.5
89.02451	30.1
93.03463	2.9
95.01395	3.5
96.96024	15.3
99.00993	0.9
101.02452	18.5
103.00383	2.5
103.03973	1.2
111.00858	1.1
111.04546	1.7
113.02472	11.8
119.03511	13.5
123.00886	0.9
124.01676	2.3
125.02457	1.4
131.03500	1.5
133.02977	1.2
135.04526	2.0
139.04010	4.3
143.03487	2.6
145.03075	1.1
149.04529	1.7
150.57854	1.0
151.00369	2.6
151.03966	1.5
153.05637	1.5
159.04565	2.4
161.02435	1.0
161.04543	1.0
163.20520	0.9
166.02718	6.7
167.03343	1.1
173.04520	2.6
173.06052	1.4
174.03238	0.8
175.03979	1.7
179.05632	3.7
181.05095	5.0
187.03998	6.1
191.05644	8.8
192.04210	1.2
193.05006	1.1
201.05402	1.4
203.03415	1.4
207.06593	1.2
217.05049	1.8
218.05804	1.3
233.08176	1.1
239.07236	0.9
291.06805	1.0
293.04553	2.5
294.05417	1.1
300.02664	1.7
307.05951	1.2
307.10007	1.0
308.06888	2.8
309.07809	0.9
311.05194	1.3
322.08295	2.1
323.05753	1.5
323.09192	7.2
324.06302	1.3
337.10904	1.8
338.08218	1.1
338.11426	4.9
339.08664	2.1
339.12427	1.6
340.09610	1.2
341.10126	1.0
353.10336	4.7
368.12671	1.8
369.09494	12.0
369.13757	6.8
383.11438	1.6
384.12170	9.1
399.14493	100.0
400.14835	8.2
419.11313	1.2
431.13455	2.5
432.14142	3.8
437.12286	1.0
452.32758	1.0
529.76025	1.0
593.25006	1.0
611.16974	6.6
611.29669	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	611.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22551	1.0
58.62182	1.0
59.01392	10.0
61.98831	2.6
65.03320	1.0
71.01390	7.0
75.00871	3.7
83.01385	1.7
85.02947	2.1
87.00918	1.8
89.02447	5.3
93.03438	1.8
95.01392	3.2
96.96010	1.7
98.20652	3.0
101.02443	3.3
109.02956	1.4
111.00901	1.4
113.02448	1.7
119.03481	1.6
121.02950	2.5
123.00902	11.9
124.01698	2.3
125.02461	1.4
133.02924	1.1
135.04492	3.8
137.02493	2.5
138.03244	21.1
139.00394	5.9
139.03983	1.5
149.02440	3.1
151.00395	6.7
151.03943	1.1
153.01953	3.2
153.05603	13.8
157.18385	1.1
161.02448	3.0
163.00346	3.1
165.05734	1.1
166.02625	1.2
173.02475	2.5
174.03209	1.8
175.03949	2.8
177.01941	24.8
178.02748	7.1
179.05650	1.3
181.01321	1.1
181.05063	1.3
183.06648	1.8
187.04010	1.3
189.01897	3.9
190.02737	9.7
191.03596	7.8
191.05464	7.0
192.04315	35.1
193.05092	13.8
195.06673	1.5
202.02705	2.0
202.70917	1.1
203.03503	3.4
204.04332	1.5
205.05070	12.3
207.06631	61.7
208.03755	1.5
208.06903	2.2
211.06236	2.1
217.01500	7.3
218.02272	3.4
218.05824	2.1
223.06172	5.1
232.03746	7.3
233.04559	8.7
234.05342	1.5
237.05519	1.2
241.07205	6.2
247.06120	6.3
269.04358	1.1
277.07169	3.4
287.05597	3.3
297.04071	2.5
311.05664	1.6
312.06308	2.6
321.03989	1.3
323.01932	1.3
325.03607	2.3
327.09085	1.7
335.05765	1.6
337.03436	1.9
343.08505	1.7
352.06058	1.5
353.06757	2.0
355.08148	3.8
356.05420	2.6
367.08325	2.6
369.09714	2.2
370.06839	1.3
371.07672	12.2
383.07837	4.0
385.09186	4.3
386.06268	1.1
386.10205	10.1
389.12366	2.5
398.10049	1.6
401.12433	100.0
402.12915	5.9
413.12454	30.4
414.12830	1.6
431.13486	57.1
432.13654	3.6
449.15472	5.3
521.20142	2.1
551.27228	1.9
611.15344	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30228	11.5
61.98831	16.5
71.56322	13.5
78.95917	17.1
96.96010	100.0
96.96973	18.5
113.69375	12.7
116.92845	14.3
133.02963	14.2
178.62442	13.9
188.04836	12.8
189.61072	10.9
216.06314	10.7
223.17267	11.2
369.24420	11.2
417.97772	13.1
473.63104	14.0
481.39316	11.4
489.75327	12.6
506.08038	12.6
532.13544	12.5
579.99335	11.9
611.32959	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	610.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92803	0.2
54.99464	0.2
57.03447	0.4
58.74031	0.2
58.85868	0.2
59.01381	3.2
60.01729	0.3
61.98836	100.0
67.01894	0.3
67.47890	0.2
71.01387	2.2
72.99323	0.3
73.02956	0.7
73.20601	0.2
75.00886	0.2
76.52728	0.2
78.02306	0.2
78.56570	0.2
78.95934	0.8
82.95483	0.2
83.01414	0.4
85.02956	1.1
87.00910	0.7
88.98795	0.2
89.02462	1.4
92.00343	0.2
93.03472	1.0
96.96018	0.6
101.02459	1.4
109.02940	0.2
113.02483	0.8
119.03539	0.2
125.02469	0.4
135.04544	1.0
148.10909	0.2
151.00452	0.2
152.99646	0.4
153.02122	0.2
161.04491	0.3
173.04520	1.4
179.03580	0.6
183.35686	0.2
191.05634	3.0
195.06680	0.3
209.11905	0.3
242.05537	0.2
272.02866	0.3
279.03186	0.2
280.03870	0.4
281.04889	0.3
295.06210	0.5
300.02713	0.4
301.03198	0.6
353.08920	0.3
419.11414	0.3
437.12778	0.4
447.22729	0.3
448.22900	0.9
469.23123	0.4
506.34433	0.4
529.27533	0.5
536.11450	0.3
550.33252	0.7
610.15033	0.5
610.29071	0.8
610.34949	1.1
611.18201	0.4
611.33929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50578	1.5
57.03461	3.7
58.00595	3.1
59.01385	52.2
61.98838	13.4
71.01388	51.1
72.99314	4.6
73.02952	9.4
80.25840	1.6
83.01402	5.8
85.02966	11.3
87.00871	5.6
88.98797	2.2
89.02455	37.5
93.03453	3.1
95.86027	1.4
96.96017	3.5
97.02956	2.2
97.74986	1.7
98.19894	4.7
99.00911	3.9
101.02454	24.8
111.00898	4.9
113.02453	13.3
116.92882	1.9
119.03563	3.1
123.04549	1.6
125.02483	4.5
131.03519	14.6
134.03764	3.8
135.04507	3.8
139.89711	1.4
141.85007	1.6
143.03513	1.6
145.02922	1.8
149.04562	15.1
149.06108	4.5
151.00410	1.7
161.04523	3.3
171.27705	1.6
173.04538	3.4
179.03610	1.9
191.05640	11.5
233.06630	3.4
250.10701	1.6
271.02408	4.7
272.95325	1.6
293.08804	4.5
300.02817	4.9
301.03522	2.3
399.23810	2.5
417.25021	15.4
463.15848	1.6
491.86807	1.7
505.33911	4.7
523.34741	3.2
549.29041	100.0
550.29498	8.0
609.15295	7.4
609.23480	2.5
609.32916	3.0
610.27826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87203	2.3
56.59906	2.1
57.03449	6.5
59.01384	95.8
61.98829	19.4
69.03458	2.4
69.28454	2.2
69.37744	9.2
69.38176	9.9
71.01388	73.2
73.02964	12.4
83.01393	10.1
85.02955	19.1
87.00874	10.4
88.98784	3.1
89.02451	55.2
92.85610	2.1
95.01382	5.5
96.95997	8.8
98.19929	4.8
99.00887	5.3
101.02452	38.6
101.36987	2.4
109.55003	2.3
111.00895	3.8
112.27661	2.3
113.02460	19.1
119.03526	7.8
121.02960	3.9
125.02441	7.5
131.03519	22.3
134.03754	2.7
135.04480	4.6
143.03477	4.2
143.10768	5.4
149.02441	9.5
149.04546	23.0
149.05823	3.4
151.00377	6.7
152.01071	3.5
161.04562	6.3
163.03983	2.6
164.04759	10.1
173.04524	4.1
177.01772	3.0
179.05661	3.2
179.07108	4.5
182.02267	3.8
191.05644	11.8
192.04192	4.1
193.01378	9.5
197.04604	8.2
207.06580	4.3
208.03802	17.6
212.56778	2.3
223.06129	38.3
223.09622	5.3
233.06622	5.9
246.03127	2.3
255.02863	2.5
271.02484	5.5
293.08688	4.4
300.02698	10.0
301.07175	4.8
302.07529	3.8
303.07776	3.7
319.54593	2.6
331.08182	4.9
387.27377	6.2
399.23990	5.1
417.24881	24.3
505.33548	8.3
523.34070	2.8
549.28815	100.0
550.29657	10.7
573.21600	3.1
609.13800	5.7
609.22809	7.5
609.33081	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	609.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48431	0.6
59.01379	3.2
60.99315	14.3
61.98834	0.9
69.31773	6.5
71.01406	3.6
73.02972	0.8
81.74348	0.7
85.02960	1.0
87.00900	2.0
88.00411	1.6
88.98814	100.0
89.02454	15.5
93.03458	0.7
96.96032	1.6
96.97063	0.8
101.02460	2.2
113.02461	1.2
124.01678	9.5
131.03505	0.8
133.05052	1.7
135.04492	1.0
139.04025	24.7
150.05080	0.7
151.00383	1.4
152.01103	0.7
165.01903	5.4
172.62579	0.7
173.04559	1.7
178.99867	2.6
181.64069	0.6
191.05664	4.3
193.01465	2.0
224.87996	0.7
257.04568	1.2
272.06866	1.1
287.09247	2.7
288.06302	0.9
300.02515	1.1
303.08795	11.1
304.09192	1.0
331.08249	40.8
332.08514	2.4
365.72705	0.9
442.29971	0.7
549.28693	3.9
609.14325	1.8
609.28156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37393	0.9
52.05701	0.9
52.23088	1.1
57.03452	1.6
59.01383	10.4
60.80243	0.9
69.00343	0.9
70.35365	0.9
71.01389	15.8
71.55462	1.4
72.99305	2.2
73.02943	1.7
75.00880	4.3
78.95905	1.8
85.02962	16.4
87.00885	7.3
89.02458	4.3
95.01391	2.9
96.96955	1.6
99.00861	2.8
113.02463	18.9
117.01948	1.3
129.01949	1.9
137.19250	1.0
147.08916	1.0
175.02292	1.1
176.89644	1.1
191.05719	0.9
249.06084	2.2
267.07236	100.0
268.07556	2.1
281.19644	1.1
356.65851	1.2
448.29871	1.1
498.13248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03446	1.6
59.01385	28.0
61.98830	2.5
62.19835	0.8
69.45780	6.4
71.01391	31.3
72.99300	1.3
73.02956	7.9
75.00880	0.9
77.56516	0.8
81.03497	1.2
82.95409	1.3
83.01398	4.9
84.95113	2.3
85.02957	8.9
86.61452	0.9
87.00886	2.8
89.02456	19.9
96.95987	1.7
97.02988	2.2
98.20727	1.5
99.00890	2.9
101.02454	21.3
103.03978	0.9
111.00883	9.3
113.02467	7.9
115.04058	2.9
125.02496	4.7
131.03506	10.1
143.03497	3.0
144.55417	1.1
149.04561	8.7
159.03185	0.9
159.78163	1.0
160.05315	1.3
161.04601	1.9
173.04556	1.7
175.07640	0.9
191.05643	4.6
215.46843	0.8
233.06660	6.4
248.77573	0.9
289.58942	0.9
293.08789	3.3
329.13892	5.2
350.36096	0.9
415.23325	6.9
547.27643	100.0
548.28137	7.5
591.26648	2.0
607.32990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
57.28796	0.6
69.59313	0.5
70.86982	1.1
75.22187	0.6
98.20605	0.7
107.01357	1.9
108.02186	1.4
115.54238	0.7
121.02961	1.8
148.01680	0.7
151.00383	9.4
163.00392	1.8
164.01047	0.7
178.99899	5.3
197.42532	0.6
198.65105	0.6
211.04005	0.9
212.70158	0.8
226.02840	1.1
227.03511	1.3
243.02994	6.9
245.04510	0.7
254.02191	1.0
255.03018	21.2
256.03394	1.0
271.02493	40.0
272.03058	2.0
273.04062	1.5
274.04611	0.7
283.02322	1.2
290.52628	0.6
298.95758	0.7
299.01999	0.7
300.02762	91.6
301.03488	41.7
302.03952	1.5
343.04507	0.8
454.75803	0.6
609.14618	100.0
610.14996	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	607.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01384	61.0
61.98840	10.1
63.39490	1.3
71.01069	1.2
71.01395	15.9
72.99325	1.3
73.02958	5.9
75.00876	3.4
78.95910	7.6
79.05537	1.4
82.95408	1.9
83.01392	4.3
83.05034	2.0
85.02951	6.0
87.00886	5.8
89.02463	12.7
96.96023	6.0
97.06558	1.8
98.20761	2.3
99.00878	2.2
101.02448	10.9
107.05022	4.1
108.02158	3.1
111.00893	1.7
113.02437	4.4
119.03480	3.0
119.05046	2.9
119.44854	1.1
120.05813	2.8
121.02956	2.0
123.04516	3.8
124.01629	1.7
125.02426	3.1
131.03488	3.4
135.04539	15.1
135.08113	1.5
136.05342	9.4
148.57845	1.1
149.04494	6.3
149.06068	1.5
151.03954	4.3
151.07663	6.4
161.04463	2.1
161.09749	10.1
161.13321	4.9
163.11270	1.6
173.04552	1.5
177.01915	1.2
181.05017	3.4
181.08719	1.3
187.11284	12.2
189.09238	7.7
191.03616	1.5
191.05573	4.4
195.06638	100.0
196.06946	3.3
205.12273	4.8
207.10132	2.5
209.11906	1.5
223.13344	3.1
230.13519	1.6
231.10201	2.3
234.31438	1.2
244.42992	1.4
249.11264	7.0
267.12335	3.6
271.02316	4.0
299.01923	10.4
339.10873	1.3
357.11850	4.8
385.25681	3.4
387.69348	1.5
411.16556	2.6
463.08459	1.7
474.17419	3.0
475.28827	1.5
495.73120	1.4
496.22693	1.7
503.32242	6.1
547.30573	14.6
559.59094	1.2
607.23749	55.9
607.32458	8.6
608.13641	1.3
608.24402	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	607.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00588	0.5
59.01381	13.7
71.01010	0.6
71.01388	9.1
71.54320	0.4
71.54716	0.4
72.99299	0.7
73.02938	0.3
73.93504	0.3
78.95879	0.8
83.01365	0.6
85.02954	9.8
87.00909	0.8
89.02451	8.5
95.01422	0.3
96.95992	0.4
96.96999	0.3
101.02450	7.0
103.04018	16.5
113.02449	3.9
117.05575	0.5
119.03508	4.3
122.63161	0.3
127.34559	0.3
143.03503	0.5
145.05067	0.7
149.04579	0.4
179.05553	0.5
191.05609	0.5
265.09290	100.0
266.09619	2.9
273.31702	0.3
292.59869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00588	0.5
59.01381	13.7
71.01010	0.6
71.01388	9.1
71.54320	0.4
71.54716	0.4
72.99299	0.7
73.02938	0.3
73.93504	0.3
78.95879	0.8
83.01365	0.6
85.02954	9.8
87.00909	0.8
89.02451	8.5
95.01422	0.3
96.95992	0.4
96.96999	0.3
101.02450	7.0
103.04018	16.5
113.02449	3.9
117.05575	0.5
119.03508	4.3
122.63161	0.3
127.34559	0.3
143.03503	0.5
145.05067	0.7
149.04579	0.4
179.05553	0.5
191.05609	0.5
265.09290	100.0
266.09619	2.9
273.31702	0.3
292.59869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45111	1.1
55.62561	1.1
57.03457	1.7
59.01116	1.2
59.01384	16.5
61.31280	1.4
61.98843	9.0
65.00320	1.8
68.19904	1.1
69.03463	1.7
69.87891	5.6
71.01383	13.5
72.99302	1.1
73.02962	3.6
76.83700	1.1
78.95890	1.3
83.01393	3.1
85.02943	4.5
87.00880	2.2
88.98795	2.4
89.02473	9.4
93.03453	3.2
95.01364	2.2
96.96017	7.6
96.96980	1.9
99.00904	1.2
99.04552	1.5
101.02441	7.5
105.01928	3.2
107.01392	2.1
109.02936	2.3
111.00907	1.6
113.02447	3.4
121.02927	1.8
123.00922	1.4
125.02453	2.7
131.03510	3.2
133.02885	1.8
134.03737	1.1
135.04572	1.7
137.02460	1.9
143.03477	1.2
143.05040	1.7
145.02872	1.6
147.04573	1.2
149.04555	3.6
151.00374	7.7
158.03741	4.2
161.02438	5.3
163.04088	1.2
173.04494	3.3
175.04015	1.3
178.99857	4.1
179.03522	1.7
183.04512	3.5
185.02417	1.8
186.03188	7.2
189.01894	2.6
191.05637	8.0
193.04997	2.0
198.03217	1.9
199.03966	5.0
201.01981	2.6
203.03479	1.7
206.98933	1.1
214.02728	11.5
215.03490	3.0
216.00620	3.0
217.01315	1.6
218.02232	2.0
223.06171	1.3
227.03531	3.2
231.02769	1.3
241.01443	69.4
242.02177	21.2
243.03000	11.2
244.98494	2.3
245.00940	36.0
246.01410	1.4
255.02994	4.7
270.01721	64.5
271.02469	47.4
272.02924	2.0
273.00287	1.4
274.01160	1.4
282.01697	1.7
283.02408	3.4
293.08917	1.8
298.01196	19.4
299.01987	86.7
300.02649	7.0
301.03632	1.7
309.72571	1.4
311.02090	1.5
313.03360	1.8
328.09567	1.7
341.03098	6.5
373.13120	2.4
403.13950	4.8
415.23492	2.1
424.57318	1.3
439.19815	1.9
463.08823	1.4
547.27631	22.7
563.37781	2.7
571.24426	3.4
579.13470	2.6
607.13025	100.0
608.13379	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	605.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.9
61.98820	1.1
67.01903	2.0
70.85243	1.6
71.01385	6.5
72.00835	0.8
73.02970	1.0
77.58239	0.8
78.95875	0.8
79.95717	1.0
83.04974	0.8
85.02955	11.6
87.00885	4.5
89.02449	3.1
93.03468	12.0
96.96021	22.1
96.96973	0.9
99.04526	1.7
101.02457	2.3
109.02997	1.0
111.04531	2.9
113.02442	1.8
116.64689	0.7
122.24268	0.6
127.04017	3.9
149.04501	0.9
158.97699	0.7
173.04575	4.5
181.05121	0.9
191.05624	100.0
192.05940	2.0
207.13896	1.1
236.59204	0.6
250.09875	0.7
251.12836	1.8
282.12885	0.7
293.69458	0.7
332.34869	0.7
417.69052	0.7
425.18146	5.6
452.44626	0.8
545.25970	4.0
561.36249	1.6
605.24493	58.6
606.24567	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	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.27555	0.5
61.98834	100.0
70.39567	1.8
71.01408	0.9
78.95947	0.8
84.74133	0.6
96.96028	1.7
105.48042	0.6
143.64391	0.5
152.99617	0.6
201.38705	0.7
251.50400	0.6
257.22476	0.6
606.37848	2.0
607.25012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52814	0.6
59.01385	8.9
60.24853	0.6
61.98843	0.6
65.22525	0.6
67.01892	1.2
69.47599	3.4
69.48013	0.9
71.01378	3.6
78.90945	0.6
78.95913	17.5
79.95753	2.4
80.95110	0.6
81.35056	0.6
85.02971	1.4
89.02455	2.8
93.03477	5.4
96.96024	100.0
96.96950	24.2
98.19872	1.1
98.30335	0.7
99.04547	1.9
100.85749	0.6
101.02479	1.8
111.04568	1.0
113.02500	0.8
137.02473	1.7
150.97162	0.7
155.03584	0.8
173.04565	15.2
189.12872	0.8
191.05597	6.2
207.13974	3.3
228.81105	0.6
251.12971	6.9
260.48672	0.5
367.97018	0.6
386.29840	0.6
425.17984	1.4
431.19247	11.7
463.74835	0.7
545.26202	0.7
605.24493	12.9
606.25244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43054	1.6
59.01388	46.3
61.98837	3.9
64.62838	1.7
69.09112	1.6
69.40254	11.6
71.01389	24.8
73.02940	2.2
78.95911	2.7
83.05030	2.2
85.02973	10.1
85.88229	1.6
87.00947	2.0
88.53895	1.9
89.02457	22.0
93.03472	14.5
96.96024	18.1
96.96966	6.2
98.95605	8.0
99.04535	35.4
101.02450	12.7
111.04543	11.6
111.05228	1.6
113.02466	9.6
119.03518	6.2
127.04060	2.8
131.03534	1.9
137.02460	3.2
152.11633	1.8
153.25008	1.8
155.03508	8.1
173.04575	27.2
178.65572	2.3
189.12794	9.9
191.05620	57.0
192.06068	1.8
194.91852	1.9
207.13890	42.4
251.12914	64.3
251.15564	3.4
252.13210	3.3
269.14120	2.1
425.18219	6.0
431.19250	78.5
432.19528	3.7
464.22690	1.7
493.74759	1.9
545.25800	5.4
574.14288	1.8
605.24561	100.0
606.24652	8.4
610.17133	1.8
617.53479	2.3
634.67993	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	605.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.89057	13.5
71.01383	52.1
72.71474	6.1
78.94810	5.7
85.02942	11.4
87.00856	7.1
87.10631	6.0
89.02450	78.4
96.96024	14.9
101.02436	19.8
113.02459	20.5
115.34139	6.0
119.03533	30.6
141.01669	23.5
143.03505	10.2
145.79570	6.0
149.04585	7.5
161.04568	15.3
177.51555	6.2
179.05641	48.5
191.05630	23.1
341.72241	7.6
448.03726	6.9
545.25922	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	605.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92766	4.1
57.03444	5.9
59.01385	99.6
61.98812	9.2
69.63171	3.3
71.01387	77.4
71.56582	6.7
72.99314	6.3
73.02976	6.8
78.95904	4.8
82.95422	5.8
84.95119	22.3
85.02962	26.6
87.00878	12.4
89.01940	6.7
89.02457	100.0
89.03010	6.4
91.02873	3.9
93.03472	8.6
95.01402	7.5
96.96011	27.0
97.02958	3.5
101.02457	39.4
109.02909	4.5
113.02459	40.5
116.92862	5.4
119.03519	35.3
125.02467	6.3
131.03506	11.4
135.04561	4.3
143.03503	16.0
149.04596	17.2
149.05940	3.6
161.04564	13.7
165.05612	7.6
172.38950	3.9
173.04544	10.4
179.03510	6.7
179.05615	52.2
179.07056	7.1
181.05083	5.7
191.05647	25.4
192.05956	4.1
195.06609	9.1
211.62744	3.5
293.08667	4.2
303.90201	4.2
359.14948	9.2
429.67380	4.2
437.50433	4.8
483.62537	3.9
521.20001	5.0
545.25769	11.8
569.22498	4.6
597.28870	3.6
605.20447	37.9
606.84607	4.7
608.06342	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	605.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.2
59.01387	42.5
61.98831	12.3
65.46029	2.9
70.77675	3.1
71.01392	29.8
71.57282	3.6
73.02979	5.4
73.84537	3.2
75.00887	4.0
78.95907	24.5
85.02976	11.3
87.00898	9.8
88.98811	4.1
89.02445	18.5
93.03481	5.6
96.95387	5.1
96.96024	100.0
96.96952	30.7
98.95616	3.4
99.04501	3.6
101.02456	19.6
113.02441	11.5
119.03478	4.9
119.04996	5.3
125.02477	20.1
131.03497	4.1
134.03755	3.1
135.04533	12.7
143.03493	4.6
146.15997	3.1
149.04561	6.6
161.04561	3.6
162.22275	3.3
173.04523	8.7
179.03516	16.0
179.05606	9.2
185.51091	2.9
187.02498	8.1
191.05615	33.2
195.06685	3.4
216.61279	3.3
285.67062	3.3
346.34824	3.3
353.08771	26.5
545.25842	19.9
561.36621	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25106	3.0
59.01384	8.7
60.99297	9.6
61.98835	3.5
63.89896	2.5
70.56725	10.5
85.02975	5.1
86.44878	2.9
88.00401	12.4
88.98813	58.8
89.02453	100.0
94.95012	2.9
96.96005	14.3
148.91002	3.7
396.58441	3.7
490.20502	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	605.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11898	1.2
59.01382	100.0
62.17369	1.2
69.45480	7.5
71.01368	2.4
72.99311	1.4
73.97377	1.2
77.86979	1.2
78.68089	1.3
85.02940	2.2
87.00881	36.5
88.98808	5.0
89.02538	1.5
94.76694	1.3
96.96010	6.2
96.96964	1.4
98.95544	2.4
99.92562	2.0
107.02571	1.5
109.02959	1.5
112.98781	4.3
116.92860	18.0
123.00897	2.7
125.02417	2.6
129.01935	2.0
137.79025	1.2
138.03191	2.3
145.01344	2.5
147.03017	2.3
150.03181	1.2
153.05554	4.4
159.04539	2.0
161.02390	3.7
162.03180	1.5
163.03992	5.2
164.04837	1.3
165.05556	1.5
166.02737	4.7
173.00903	4.4
175.03989	2.6
176.04738	6.0
177.05580	2.9
178.06351	10.3
181.05087	8.3
187.04034	3.4
188.04784	2.7
189.05530	2.3
191.03494	4.1
191.05521	2.1
191.07161	3.9
193.08705	13.7
203.03499	5.3
205.05014	3.8
206.05827	2.5
207.06636	1.7
208.07375	2.0
209.08121	1.8
215.03520	2.8
216.04295	1.9
218.05649	1.5
220.07379	2.2
221.08197	1.9
223.09827	1.9
226.02829	1.7
230.05838	3.9
231.02989	8.3
231.06537	1.6
233.04596	1.7
233.08286	1.9
234.05246	1.5
239.30791	1.4
246.05309	9.1
247.02512	2.2
249.07715	4.1
261.07611	7.9
262.04816	4.0
265.07184	4.3
277.07150	10.0
279.08749	33.0
280.09189	1.9
291.08759	2.5
321.09613	2.7
337.09293	46.3
339.10818	4.4
365.08813	6.2
602.57953	1.3
605.17224	85.4
606.17651	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	603.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
61.34571	0.3
61.98836	6.2
71.01386	3.8
71.56948	0.5
72.33759	0.4
73.02986	0.5
78.95909	17.2
79.95744	3.0
85.02968	1.8
85.09895	0.4
87.00905	0.4
89.02465	3.4
93.03465	2.4
96.96024	100.0
96.96948	23.5
98.25922	0.4
98.45435	0.4
99.04548	0.9
101.02477	2.3
109.02964	0.9
111.04523	1.0
113.02464	1.2
118.56092	0.3
119.03532	0.9
134.03735	0.5
135.00961	0.5
135.04568	0.7
137.02431	0.9
143.03488	0.5
145.27512	0.4
147.64720	0.4
149.04518	0.4
150.03246	1.1
155.03549	0.8
161.04521	0.4
161.13361	0.6
165.05589	0.8
173.04549	6.4
179.05635	0.9
191.05612	5.3
193.05000	0.7
195.06670	0.8
205.12285	1.8
249.11403	2.2
262.62735	0.4
273.07791	0.4
347.79187	0.4
357.06503	0.4
368.38528	0.4
371.58554	0.4
402.61746	0.4
429.17352	3.8
459.11444	0.5
529.65833	0.4
554.28253	0.4
559.34991	0.5
603.22650	3.8
603.32190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
58.00584	2.3
59.01386	40.8
61.98835	7.4
64.27971	1.1
69.39279	2.6
69.39712	4.5
70.33098	1.0
71.01391	23.4
72.99320	2.6
73.02950	1.9
81.03456	1.6
82.95424	2.8
83.05026	2.8
85.02959	15.0
87.00893	5.0
89.01939	1.7
89.02454	23.4
93.03472	11.5
95.01414	1.7
95.45023	1.0
96.96024	1.9
99.04500	3.1
101.02445	12.6
109.02947	1.9
109.34462	0.8
111.04532	6.9
113.02452	8.1
119.03527	11.0
127.04017	3.3
129.01926	1.1
131.03548	1.6
135.04546	2.4
137.02486	1.8
137.71193	0.9
143.03476	2.1
148.27560	0.9
150.03212	0.9
155.03471	4.8
161.04561	3.0
161.13370	14.2
171.03020	1.2
173.04581	21.4
174.04758	1.0
179.03523	2.3
179.05632	10.0
191.05626	100.0
192.06084	2.0
205.12349	28.1
249.11340	12.3
269.37399	1.3
352.07819	1.1
379.18332	0.9
385.18689	4.2
423.16525	2.7
429.17593	18.0
533.01892	1.1
593.63324	1.2
603.22998	68.1
604.23114	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	603.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98834	16.7
67.01895	0.7
69.37441	5.0
71.01389	2.3
73.02961	0.6
78.95908	16.9
79.95743	2.8
85.02962	1.4
87.00876	0.7
89.02464	3.1
91.30189	0.5
92.56475	0.6
93.03466	2.6
94.20713	0.5
96.96020	100.0
96.96944	22.6
99.04533	0.9
101.02455	1.3
113.02448	1.4
119.05003	0.8
119.83572	0.6
134.03745	1.1
149.02486	0.9
149.06126	0.6
150.03241	1.2
165.05562	1.4
173.04573	2.4
191.05656	5.1
192.05832	0.7
193.05125	0.6
195.06699	1.0
197.55652	0.6
216.47560	0.6
267.08594	1.5
407.17328	1.7
412.49539	0.6
429.17572	1.7
458.09872	0.7
459.11295	1.2
559.35022	0.9
603.22894	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	603.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23052	0.6
57.03446	1.5
58.00577	0.8
59.01388	21.6
60.83214	0.6
61.98829	1.5
67.01898	6.4
71.01006	1.2
71.01389	15.9
72.99327	1.1
78.95918	1.0
81.03442	0.9
82.41469	0.5
83.01407	0.8
83.05047	2.0
85.02966	8.1
87.00896	2.3
88.22417	0.6
89.02457	14.3
93.03473	36.4
94.03837	0.7
95.01389	1.4
96.96017	2.7
99.04546	1.2
101.02448	7.4
109.02969	1.8
111.00887	1.5
111.04521	7.3
113.02454	5.6
119.03525	8.0
127.04041	1.3
131.03554	0.9
137.02437	4.7
143.03539	1.7
149.04587	1.2
152.95355	0.7
155.03520	6.3
161.04604	2.0
161.13393	5.6
169.18114	0.5
173.04567	100.0
174.04866	2.0
179.05638	6.5
191.05632	48.7
192.05927	0.9
204.82790	0.7
205.12350	15.0
249.11348	9.6
279.23306	0.7
306.42633	0.6
333.10754	0.6
379.17838	0.7
385.18680	4.9
415.10077	0.7
423.16800	4.0
429.17728	15.3
430.17654	1.0
567.27637	0.7
603.22974	33.9
604.23132	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	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98835	100.0
69.42052	1.3
69.42473	0.5
71.01363	1.1
73.02979	0.2
75.42406	0.3
76.40816	0.2
78.95927	0.3
85.02958	0.4
87.00891	0.3
89.02454	0.9
93.03484	0.4
96.96011	1.6
98.95624	0.3
101.02480	0.5
109.02999	0.2
113.02465	0.4
118.92941	0.2
135.04504	0.4
137.02484	0.3
173.04539	0.4
179.03438	0.3
179.05714	0.3
191.05629	1.7
212.06773	0.4
227.09323	0.3
228.09756	0.3
240.15404	0.2
429.17770	0.5
582.21130	0.2
603.23315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03390	1.4
61.98835	100.0
65.81976	1.5
69.88163	6.7
77.32146	1.5
79.85700	1.5
93.84164	1.7
97.45598	1.4
98.20748	1.6
101.08540	1.6
117.94681	1.5
136.96596	1.6
138.26093	1.7
393.33301	1.6
563.52612	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	601.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
69.26463	0.2
69.26622	0.5
69.27045	1.4
78.95911	55.8
81.68526	0.2
83.43968	0.2
89.02460	0.2
89.62830	0.2
96.96090	3.5
96.96970	100.0
101.02473	0.4
152.50046	0.2
161.04587	0.3
174.62151	0.2
179.05719	0.2
221.06615	0.3
259.02258	2.5
260.37445	0.3
439.08914	0.5
503.16110	1.3
570.97681	0.3
583.13080	0.3
601.13947	4.0
602.14294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40829	0.3
51.82278	0.3
52.89632	0.3
59.01385	8.2
61.98831	8.0
65.92012	0.3
71.01379	1.6
71.55747	0.3
73.02982	0.4
78.95921	3.2
79.95750	2.4
85.02953	1.0
89.02452	1.2
93.03465	0.9
96.96018	100.0
96.96899	3.8
101.02464	1.8
113.02435	0.8
114.93433	0.9
116.76414	0.3
116.92783	0.5
135.04523	0.7
137.02422	0.4
172.10606	0.4
172.31259	0.4
173.04549	1.5
181.13103	0.3
191.05585	1.2
195.51584	0.3
209.11884	0.5
213.62982	0.3
399.23996	1.5
417.25076	1.0
439.16296	0.4
459.25931	1.1
469.33032	0.3
497.20319	0.5
601.16223	0.4
601.38470	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65888	0.9
59.01382	100.0
61.98816	1.0
64.76161	0.9
73.02946	0.9
105.92072	0.9
113.14295	1.1
115.02538	6.3
117.00417	5.2
132.98186	2.0
132.99118	1.7
157.03647	2.1
159.01498	73.6
160.01566	2.5
174.99277	14.9
176.98114	37.5
177.98250	1.0
201.02557	25.6
202.02802	1.2
217.00310	48.4
259.01517	3.2
274.99280	1.7
298.99274	1.1
301.02673	60.8
302.02808	4.1
314.98923	1.0
316.96686	2.0
317.00421	39.8
318.00549	2.1
332.98257	1.6
359.01514	19.8
459.01578	13.9
460.01563	1.3
499.00110	1.6
541.00623	38.7
542.00879	5.0
603.40173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60999	0.3
60.61358	0.3
64.63628	0.3
71.31844	0.4
78.95912	57.5
89.02451	0.5
96.96078	5.7
96.96970	100.0
101.02441	0.2
113.02421	0.3
135.04539	1.3
138.97998	0.5
168.99043	0.5
179.03499	2.1
199.00162	0.4
259.02249	5.9
259.04834	0.4
301.41788	0.3
328.42038	0.3
341.08902	0.8
383.12036	0.4
439.08374	0.4
472.27094	0.3
503.16370	1.5
601.13965	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	599.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73395	17.1
61.98826	45.7
69.82938	100.0
79.02014	19.2
235.73672	24.1
341.85483	21.2
515.45026	19.7
599.41180	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	600.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30841	3.4
61.98836	100.0
69.23306	36.7
98.20617	6.3
143.22026	3.6
147.20764	4.2
252.18214	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.7
59.01385	100.0
61.98835	21.3
69.51698	12.2
69.52100	5.8
71.01387	60.5
72.99308	4.0
73.02981	2.8
78.95921	7.0
85.02965	10.7
86.34504	2.4
87.04575	2.7
89.02452	79.7
95.01411	5.3
96.96019	52.9
96.96979	8.0
97.00704	2.4
101.02451	27.2
109.30442	2.4
113.02464	20.2
119.03513	36.4
119.97646	2.6
131.03481	4.9
135.04686	2.4
143.03505	8.5
143.93996	2.4
145.21770	2.7
149.04581	4.3
161.04558	8.3
162.03310	3.1
166.64159	2.5
173.04617	3.6
179.05623	35.8
191.05586	7.2
226.77686	2.6
228.38136	2.6
359.15143	3.3
539.28894	5.6
578.72473	2.7
599.29236	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	599.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	71.5
61.98841	10.6
69.41833	3.1
69.42240	6.8
70.52512	1.3
71.01391	6.3
71.12315	1.3
76.18138	1.4
78.95918	6.9
80.91650	1.5
85.02955	3.2
89.02460	3.2
93.03464	2.7
96.96015	13.5
96.96965	3.3
101.02454	3.8
111.00896	2.3
113.02436	1.7
121.02958	2.7
122.03802	3.4
131.03575	2.2
135.04547	2.2
147.04482	1.5
149.02455	46.1
149.04349	2.1
150.03227	23.7
161.02443	1.8
164.04813	14.4
165.05583	31.8
166.06317	4.5
167.07178	3.1
173.10075	2.7
180.04314	3.0
181.08713	2.3
191.05672	6.7
195.06639	27.7
201.11356	5.0
213.07599	2.2
213.11372	2.2
305.10672	2.1
314.11566	23.7
329.13953	100.0
330.14273	5.3
377.16077	50.1
378.16550	2.5
400.10040	1.4
452.17514	1.5
517.22626	5.0
599.20001	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	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01110	1.4
59.01384	18.5
61.98849	6.3
71.01380	5.1
71.56269	1.0
72.99328	1.1
73.02940	3.2
78.95916	1.1
83.01398	5.2
83.05016	1.3
85.02966	2.5
87.00874	1.9
89.02476	2.0
93.03484	6.0
95.05044	0.9
96.96013	4.9
96.96961	1.3
97.02990	1.1
99.04522	1.0
101.02435	3.1
108.46832	0.8
109.02936	1.2
111.04539	0.9
113.02467	1.9
119.08647	1.3
121.02956	2.8
121.06544	1.7
122.03733	6.0
123.04525	3.6
125.02467	2.0
125.06136	0.9
133.02966	1.0
133.10173	1.0
134.03816	1.5
135.08180	1.7
136.01634	1.7
137.02444	1.2
137.06142	1.1
137.09702	3.0
149.02438	3.3
149.06206	1.0
150.03238	59.6
151.03967	3.6
157.01053	0.8
161.09708	3.4
163.07675	6.9
165.05579	100.0
166.05925	2.0
167.03467	2.2
170.10133	0.9
173.04555	4.6
179.10779	2.4
180.04340	1.1
181.08708	6.2
191.05652	6.0
193.04988	1.2
197.11804	3.3
199.06203	1.6
203.10852	1.1
209.04536	1.5
213.07758	6.0
223.09799	6.5
241.10826	3.0
247.09882	1.1
247.15837	0.8
262.21039	1.1
265.10672	1.7
325.13049	1.8
357.09790	3.5
358.10178	3.7
359.10345	5.2
385.14999	7.9
387.10797	2.8
388.11307	2.9
389.11386	3.5
419.12524	1.5
479.14383	1.5
525.55103	0.9
539.34888	1.1
563.27869	1.3
581.22491	2.4
599.23523	65.3
600.24023	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	599.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
60.72853	0.7
61.98846	3.5
67.01908	1.1
71.01387	2.5
71.57296	0.9
72.99310	3.3
78.95909	13.5
79.95737	1.9
85.02984	3.7
87.00909	2.2
88.98827	2.1
89.02420	1.5
91.00362	0.9
93.03466	16.7
96.96021	100.0
96.96945	21.5
101.02435	0.8
101.06086	10.6
111.04543	2.7
124.40432	0.7
127.04021	1.3
130.49184	0.7
133.02966	2.2
135.04538	12.3
137.02449	9.2
148.73692	0.7
155.03511	3.3
161.02449	9.1
162.83615	0.7
173.04561	25.9
179.03497	12.3
181.04832	0.8
188.77055	0.9
191.05620	64.1
192.06017	1.4
209.04524	0.8
219.43636	0.7
243.12415	3.3
259.89493	0.8
270.22073	0.7
275.11401	19.9
276.11636	1.4
321.84775	0.7
335.07761	10.1
341.08734	1.3
349.18652	0.9
353.08765	10.6
389.25543	0.8
437.14502	2.7
491.49829	0.8
497.13239	1.1
545.29578	1.5
581.22473	0.8
599.19788	20.8
599.27863	1.5
600.20447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.0
61.98843	5.5
67.01880	3.6
69.62612	1.4
69.63023	4.5
70.63746	0.9
71.01372	4.6
73.73366	1.0
75.00858	2.3
78.95912	1.5
81.06009	1.0
83.05038	1.1
85.02969	1.7
87.00880	2.4
93.03469	38.7
96.96027	6.1
96.96944	1.2
98.28926	1.0
101.02434	1.2
101.06090	42.1
108.02112	1.0
109.02992	1.6
111.00855	2.5
111.04527	6.6
116.92856	1.3
123.04527	1.2
125.06142	1.0
127.03976	1.1
131.47723	0.9
133.02983	9.7
134.03694	2.6
135.04538	43.9
137.01479	1.8
137.02454	27.4
148.05267	1.0
155.03513	11.0
157.40454	1.0
161.02458	39.2
169.14960	1.0
173.04562	100.0
174.04871	2.2
177.05502	1.6
179.03514	37.9
181.05009	2.0
191.05623	6.7
196.07330	2.2
211.09712	2.6
217.08609	1.6
219.06580	2.3
221.08012	1.2
231.06523	1.3
249.07629	2.3
273.07492	1.1
275.11398	45.1
293.06516	1.6
325.83051	0.9
335.07739	54.4
336.08014	2.0
341.08835	1.2
353.08661	2.9
377.08755	3.1
407.17258	1.1
435.15366	1.0
437.14554	10.8
479.15601	5.2
497.12787	5.1
581.21997	1.9
589.48962	1.0
599.19702	88.7
600.20038	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	599.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15698	0.3
59.01382	0.9
61.48893	0.4
61.98829	0.8
78.95486	0.6
78.95917	8.3
79.87818	0.3
79.95747	3.1
82.95420	1.8
88.11832	0.3
89.02462	0.5
96.96024	100.0
96.96937	12.8
100.68543	0.3
101.06093	0.6
119.29383	0.4
135.04536	3.3
136.95323	0.4
146.73262	0.3
150.03375	0.3
161.02515	0.6
165.05615	0.7
173.04568	1.0
179.03491	3.0
189.59042	0.3
191.05614	1.2
230.20813	0.5
335.07892	0.4
353.08643	0.7
400.48038	0.3
420.82117	0.4
462.85782	0.4
563.30914	0.5
599.18964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31203	0.4
59.01382	11.0
61.98832	3.5
62.56863	0.4
69.00930	0.3
71.01391	3.2
72.69633	0.4
72.99309	1.1
73.02949	5.0
75.00883	4.4
78.95876	0.4
81.03467	11.0
82.78707	0.3
83.01389	0.6
83.05032	33.9
85.02947	1.3
88.98843	0.6
89.02452	2.0
93.03458	0.6
96.96011	3.2
98.20773	0.7
100.07699	4.5
101.02449	1.6
107.06036	0.4
113.02451	1.7
119.03493	0.3
126.05647	0.9
127.03995	0.7
134.03726	1.1
137.02455	1.3
138.03214	0.6
149.02470	0.4
149.06104	1.2
150.03209	0.6
151.04021	3.7
153.05630	0.8
154.02769	1.0
155.03575	0.5
163.04077	0.4
164.04816	0.5
165.01936	1.7
165.05571	10.9
166.06372	2.3
173.04602	0.9
177.40965	0.4
179.07268	0.6
181.05086	2.2
181.06464	0.3
181.08685	1.4
182.15607	0.5
190.06396	0.4
191.05602	2.2
195.06667	1.0
199.18159	6.0
207.06709	0.6
207.15102	0.8
209.04553	7.3
219.03046	0.6
224.06908	9.9
225.07698	24.8
225.16095	8.9
226.08028	1.1
226.16486	0.5
234.05315	0.7
239.09267	33.6
240.09576	1.1
243.17139	18.7
249.07700	3.2
269.15076	1.1
291.81113	0.4
303.21686	0.4
309.21793	0.8
335.20154	0.5
353.20856	6.9
417.15515	1.9
435.16623	30.1
436.16907	2.5
451.32797	2.3
459.16684	0.4
465.26520	0.6
469.33981	11.4
470.34396	1.0
495.31982	0.5
556.86395	0.5
562.74451	0.4
579.37933	2.8
597.22632	2.6
597.38831	100.0
598.30396	0.7
598.39130	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	597.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20603	1.4
52.72261	1.6
57.03453	3.4
59.01385	75.4
65.75589	1.7
67.25455	1.5
69.47778	3.8
69.48197	7.6
71.01387	54.9
72.25220	1.7
72.99328	3.1
73.02957	10.2
73.17323	1.8
83.01388	2.2
85.02972	11.7
87.00893	17.1
89.02454	71.4
93.03472	2.8
96.96015	5.1
99.00890	2.3
101.02455	34.6
111.00902	8.0
113.02473	9.8
116.12660	1.7
119.03539	4.3
121.02981	11.9
122.03759	6.0
125.02438	4.6
131.03519	29.4
136.01642	3.1
139.07625	3.4
147.04469	2.0
149.02684	8.4
149.04565	60.3
149.09724	19.3
150.03246	34.3
151.00381	1.9
151.04060	4.0
153.09247	5.4
161.02451	3.1
164.04803	4.8
165.05583	43.0
166.02736	6.9
167.10786	24.4
173.04547	2.0
179.03496	4.5
179.05702	2.9
179.07176	4.1
180.04221	4.0
181.05060	10.1
183.67006	2.0
191.03671	3.7
191.05611	29.3
192.05991	3.4
195.06647	16.5
209.04535	9.6
209.08243	2.8
241.05046	7.3
256.07581	5.5
264.06213	2.8
265.07233	4.2
271.09772	9.8
291.25354	2.0
293.08728	4.1
311.09872	2.3
319.11816	2.9
337.09128	4.2
345.13339	2.0
357.13501	3.8
387.14630	3.3
405.15475	2.7
405.20837	2.3
440.56067	2.1
461.14481	18.6
513.10297	2.9
537.25525	100.0
538.25720	8.6
579.17255	4.4
597.18250	40.8
598.18707	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04153	0.8
52.58995	0.6
55.81267	0.7
57.03448	0.8
58.00590	2.1
59.01382	57.9
61.98825	1.0
65.30875	0.6
70.67981	1.6
71.01388	34.6
72.99316	3.7
73.02974	1.4
77.36401	0.6
83.01409	1.5
85.02969	6.3
87.00881	2.3
89.02450	38.4
93.03416	0.7
95.01405	2.8
96.08939	0.6
96.96026	1.5
101.02451	18.8
113.02459	11.9
116.92883	0.9
119.03516	15.9
121.02968	1.9
123.00903	2.1
129.45207	0.6
131.03513	2.5
138.03201	0.8
139.00380	2.0
139.03979	1.6
142.62299	0.7
143.03476	3.1
147.04517	1.9
149.02458	0.9
149.04578	1.5
151.00372	24.5
152.00989	0.8
153.01944	1.4
161.02518	1.0
161.04578	2.8
165.01976	1.8
166.02724	55.4
167.03221	0.9
173.71318	0.6
174.03246	0.9
175.03990	10.2
176.04735	1.0
176.25877	0.6
177.03819	0.6
177.05569	0.9
179.05629	8.0
180.41209	0.6
181.05075	100.0
182.05385	2.2
187.04036	1.6
189.05551	1.1
190.06357	10.2
191.05609	0.9
205.04965	0.8
205.08702	16.8
209.04578	1.9
221.08028	1.0
235.09593	1.1
251.09181	1.1
253.04938	0.9
266.87628	0.7
281.04330	0.9
293.04517	2.5
299.09393	0.7
307.06161	1.4
308.06897	2.2
309.04333	1.1
309.07822	1.0
312.06229	1.0
322.08640	1.1
323.09290	6.6
324.06393	1.2
324.09818	1.1
327.08841	1.2
337.10666	0.7
338.11658	4.1
339.08664	5.5
354.11270	2.1
357.09726	0.9
357.13614	2.0
369.09485	1.2
369.13467	5.7
372.11957	1.6
384.12286	1.0
387.14499	41.6
388.14835	2.7
399.14407	10.6
405.15607	2.3
417.15628	2.6
597.21661	1.3
597.30457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
59.01387	59.6
61.98840	2.0
71.01392	48.7
71.26953	1.8
71.56330	3.9
72.99313	3.9
73.02950	11.1
78.95918	2.8
83.01382	5.4
85.02958	11.4
87.00400	3.6
87.00880	30.9
89.02454	53.7
93.03452	5.3
96.96059	10.3
96.96973	2.5
99.00887	7.2
101.02457	29.0
109.02966	3.5
111.00896	15.4
112.98813	4.8
113.02430	11.4
119.03470	3.6
121.02975	10.8
122.03762	12.1
122.56754	2.0
123.00924	5.2
123.04537	4.1
125.02464	2.7
131.03531	21.1
133.02951	2.2
135.04535	4.3
136.01663	2.4
137.02406	2.9
137.77975	2.0
142.99918	3.0
147.04483	3.0
149.02449	22.8
149.04553	33.2
149.09711	11.8
150.03247	84.1
151.00386	5.4
151.03970	8.0
152.01140	2.7
153.09189	5.7
161.02383	3.5
163.04016	4.9
164.04834	13.7
165.05591	100.0
166.02725	14.5
166.05945	3.0
167.10797	16.2
173.00914	6.6
173.04538	2.5
174.01682	3.1
175.04005	5.8
176.04759	3.7
177.01997	2.6
178.06317	2.3
179.03471	6.6
179.07123	5.7
180.04297	8.6
181.05086	21.5
189.05559	2.8
191.03502	11.0
191.05608	23.6
191.07191	5.0
192.04272	2.2
194.05911	7.0
194.15564	2.4
195.06624	45.9
203.03427	2.5
205.05054	6.3
206.05885	3.1
209.04550	6.6
209.08159	6.7
221.08179	5.9
234.05360	3.3
241.05168	4.4
247.02579	3.5
249.04015	2.4
249.07742	3.3
256.07584	2.7
261.04071	3.3
262.04840	5.0
264.06433	4.9
265.07208	7.3
271.09811	7.3
275.77444	2.1
276.06183	3.1
277.07272	12.6
293.08948	2.9
319.11780	3.3
337.09357	34.3
345.13556	3.0
357.13477	5.0
369.13486	8.6
387.14566	5.0
399.14584	4.2
413.12234	5.4
417.15604	5.3
435.16718	3.6
461.14539	33.7
462.14685	2.5
473.14856	3.0
521.17059	2.9
533.16748	9.5
537.25555	66.6
538.25757	2.7
579.16913	16.8
597.18317	97.2
598.18414	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.4
57.13503	1.2
59.01382	2.9
61.98821	1.5
69.03431	1.7
69.64114	8.0
71.01399	4.2
72.99292	1.2
73.02953	2.1
73.81569	1.4
80.95514	1.2
83.01399	2.8
85.02970	3.6
87.00886	29.9
89.02466	1.6
93.03469	3.9
96.96021	6.3
97.02956	2.0
99.00884	3.4
101.02448	4.7
109.02997	1.3
110.00106	1.3
111.00895	34.2
111.07923	1.3
112.98780	1.2
113.02503	1.2
121.02986	4.3
122.03770	11.9
123.00848	1.5
123.04544	2.8
124.01696	1.7
126.97151	1.2
129.01915	3.1
135.04512	2.4
137.02452	1.9
138.03226	3.1
147.02986	2.4
149.02455	25.2
150.03238	81.8
151.00342	2.1
151.04030	11.0
153.05553	1.2
161.02446	3.5
163.03989	2.1
164.04802	11.2
165.05580	88.4
166.02719	5.4
173.00906	1.3
175.03964	1.8
176.04811	2.8
177.01993	1.6
179.03499	6.7
179.07123	12.1
180.04288	5.0
181.05040	8.4
191.01987	1.4
191.03566	2.5
191.05621	3.3
194.05832	5.9
195.06638	27.2
205.05106	2.1
205.08765	1.4
207.03014	1.5
207.06587	2.4
209.08153	9.2
217.05046	1.8
219.03127	1.9
219.06607	3.0
220.03899	1.5
229.01401	3.7
230.01677	1.7
234.05228	2.2
237.07693	1.9
241.05208	2.1
247.06209	1.9
249.04034	3.8
249.07751	7.5
250.04689	1.9
264.06436	13.6
265.07211	7.9
271.09872	1.9
276.06485	2.0
279.08704	1.6
285.04031	3.5
291.08765	2.9
309.10046	1.5
327.08704	2.2
337.09442	8.6
342.10974	1.6
357.13489	4.8
375.14508	1.8
387.14664	2.5
399.14532	1.6
400.10138	1.9
413.12442	8.5
417.15906	1.9
433.15726	1.4
435.13058	2.1
461.14563	67.7
462.14960	3.6
487.16037	2.5
505.17261	2.7
521.16785	4.1
579.17255	8.3
597.18347	100.0
598.18683	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
67.01900	1.1
69.54311	1.8
69.54714	5.0
71.01377	2.7
73.02952	1.0
75.00885	2.2
81.03459	10.7
83.01388	5.7
85.02966	2.8
86.70203	1.0
89.02495	0.9
93.03471	6.1
95.01392	2.5
95.05045	5.6
96.96028	1.7
97.02955	5.5
99.04523	2.0
101.02463	0.9
107.05042	1.6
109.02967	4.0
111.04544	2.9
113.02433	2.1
119.05041	8.8
121.02967	4.3
121.06607	1.8
123.00867	1.1
123.04529	14.5
125.02456	10.4
128.24266	0.8
135.04526	4.9
135.22696	0.8
137.02496	5.7
137.06100	7.7
139.04030	10.3
143.09192	1.0
145.46877	0.9
147.04565	4.7
149.02437	1.4
149.06139	1.5
150.03218	1.0
151.04016	3.4
153.05489	1.5
155.03529	0.9
161.06071	2.0
162.03291	0.8
163.03992	4.1
163.07617	1.0
165.01910	2.6
165.05621	6.6
166.02655	1.2
167.03505	28.7
175.07585	0.9
177.01974	1.5
177.05573	2.1
178.02620	1.1
179.03496	9.5
179.07161	1.4
181.05066	2.5
189.01982	0.9
189.05589	7.8
191.03566	1.9
191.05518	2.2
193.05046	6.6
197.04559	5.6
207.06639	2.1
209.04564	32.0
215.35732	0.9
219.02922	1.0
219.06396	0.9
221.04565	5.4
223.06119	2.5
229.08708	1.3
233.04553	1.7
235.06123	1.5
236.99709	1.0
237.23656	1.0
239.05626	10.9
251.05566	4.6
263.05527	2.4
269.06662	3.7
273.07779	4.3
281.06512	1.2
282.75836	0.9
285.07614	1.8
299.09372	1.0
315.08719	19.3
327.08820	6.4
341.10269	1.3
345.09888	8.5
355.08063	1.2
357.09811	100.0
358.10193	5.2
369.09784	3.9
371.11368	2.2
387.10886	79.7
388.11218	3.6
399.10675	4.4
417.12003	26.0
418.12680	1.0
429.11969	2.2
430.51855	1.1
434.14990	1.1
435.15677	2.0
441.11676	1.3
459.12973	10.0
477.14087	18.1
478.13950	1.3
489.14026	8.0
507.15152	2.1
537.33026	1.2
579.17456	1.5
597.18323	11.1
597.34656	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	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00585	1.8
59.01385	50.5
61.98841	6.1
63.53213	1.2
69.24718	10.6
69.25095	2.2
71.01393	27.7
72.99308	4.2
73.02950	1.2
75.00861	2.6
79.09124	1.1
83.01386	3.1
85.02949	7.5
85.44673	1.1
87.00883	5.1
88.98806	3.5
89.02456	24.8
93.03435	2.0
95.01379	2.8
96.96021	1.9
98.20690	2.3
101.02449	14.4
113.02454	8.7
116.92853	1.5
119.03553	9.6
123.00867	2.5
131.03505	1.5
137.02452	1.6
138.03195	1.7
139.00336	2.0
147.04541	2.4
151.00404	7.6
153.01923	7.1
153.05568	2.8
158.03705	2.8
159.04492	3.4
160.05266	6.9
161.02411	2.0
165.01833	1.3
166.02731	18.6
173.02437	1.8
173.04718	2.0
173.06105	4.8
174.03215	2.4
175.04022	9.3
175.07607	5.3
181.05092	34.3
187.04047	2.6
188.04895	2.6
189.05585	2.0
190.06351	8.3
191.05617	3.4
201.01976	1.6
202.02690	3.4
202.06317	1.5
203.03537	10.7
204.04147	3.2
205.08638	6.4
217.05054	6.6
218.05803	10.8
219.06558	1.6
223.87709	1.2
232.07512	1.3
233.08206	20.6
253.05122	1.2
269.04648	1.5
301.06998	1.2
311.09308	1.3
311.70749	1.1
323.05768	1.5
325.03464	1.8
338.07904	2.0
339.08728	3.2
340.05969	1.3
353.08926	1.4
354.11182	2.0
355.08237	8.4
355.12045	1.7
370.10754	6.0
373.12943	1.7
385.12964	52.5
386.13522	2.2
397.12778	2.6
415.14084	16.1
433.14966	4.8
450.92148	1.2
496.15863	1.3
595.20361	100.0
595.34637	8.9
596.20587	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60535	1.1
51.78550	1.0
59.01388	1.4
62.09807	0.9
67.01897	1.1
69.73048	1.0
69.81049	3.0
69.81457	1.5
71.01397	1.8
72.67405	1.0
83.01406	1.7
88.98833	4.2
89.02473	1.4
90.09848	0.9
93.03460	1.5
95.01402	9.8
96.96030	1.1
98.19878	0.9
109.02983	1.3
109.83891	1.0
111.00926	2.6
121.03040	1.7
123.00884	9.6
123.23969	1.1
124.01648	2.4
125.02460	3.1
127.00399	1.4
137.02498	3.8
138.03265	3.7
139.00394	8.8
139.04080	4.0
145.02968	1.3
147.04570	1.6
151.00459	1.3
153.01945	5.0
153.05632	2.8
154.02887	1.1
159.04478	1.1
161.02472	1.4
162.03288	2.9
163.04048	2.2
166.02808	3.8
167.03552	1.0
173.04684	1.6
175.04028	2.1
176.01106	1.7
177.01987	4.6
177.05540	5.9
178.02754	2.2
179.03564	1.2
181.05104	4.8
189.01935	1.7
189.05627	1.7
191.03606	2.6
192.04295	6.0
192.08038	1.1
193.05045	6.9
203.03610	4.1
204.04330	2.4
207.06647	5.5
218.05870	6.5
219.06737	3.0
221.04597	1.5
223.06168	1.8
227.03590	1.7
228.03819	1.2
230.77951	0.9
251.09419	1.6
255.03175	2.4
256.03534	2.6
257.03766	1.5
284.03372	2.8
285.03928	3.8
286.04053	2.6
317.10492	2.4
340.09845	1.2
343.08167	2.6
345.90027	1.1
350.89035	1.1
355.08267	2.3
357.10120	1.9
358.10629	15.7
359.11163	1.9
372.12607	1.4
373.08453	1.7
373.13010	34.5
373.17661	1.7
374.13535	1.8
385.13101	1.8
387.11151	1.6
403.10275	2.6
403.14481	13.6
417.12125	2.7
418.12717	5.4
419.13531	2.5
433.15063	100.0
434.15250	6.6
467.17438	1.3
559.31927	1.2
565.15924	3.1
580.18384	3.1
595.20789	67.5
596.20953	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	595.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75933	0.3
56.29831	0.4
59.01381	0.7
62.04151	0.4
66.88843	0.4
70.54224	1.1
70.54610	0.6
71.01384	1.2
73.02953	0.4
82.50500	0.3
83.05029	0.5
84.35480	0.4
85.02959	9.2
87.00885	2.0
93.03462	3.6
97.58319	0.3
99.04547	0.5
109.02952	1.1
111.04543	1.3
112.52855	0.4
118.97096	0.3
127.04022	1.4
132.80632	0.4
171.02945	0.5
172.97299	0.4
173.04579	1.3
190.11676	0.3
191.05627	100.0
192.05948	2.1
203.03494	0.4
329.34219	0.4
478.72144	0.4
586.56659	0.5
595.13287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
58.00595	1.7
59.01387	48.5
69.53155	10.7
71.01387	27.3
72.99313	3.0
73.02959	1.4
75.00877	1.9
80.82289	1.5
83.01386	2.6
85.02967	7.0
85.95401	1.4
87.00880	2.2
88.98810	1.6
89.02450	22.7
93.03446	1.9
95.01434	1.4
96.96021	4.0
98.19855	1.4
101.02449	14.5
111.00877	1.7
113.02449	8.1
119.03487	8.7
123.00881	3.1
137.02464	1.8
138.03236	2.6
139.00380	4.7
149.04497	1.5
151.00378	14.5
153.01913	7.7
153.05554	2.3
158.03696	2.1
159.04523	2.9
160.05278	3.2
161.02420	1.6
166.02724	28.4
173.04637	2.3
175.04028	8.0
181.05099	38.5
182.05539	1.9
188.04608	2.0
190.06363	2.3
191.05630	6.2
202.02710	2.0
203.03522	21.5
205.08650	3.7
217.05060	3.1
218.05873	16.5
227.03482	7.5
228.03874	6.1
229.04440	3.0
233.08211	35.0
251.09131	1.9
255.03020	9.5
256.03384	7.5
257.03745	6.6
284.03299	8.9
285.03888	24.3
286.04199	19.4
287.04651	14.7
323.05859	2.2
339.08975	3.0
354.11041	1.7
355.08255	8.1
367.08420	2.2
370.10651	4.8
385.08603	2.7
385.12973	27.8
386.13364	2.1
395.53958	1.7
397.13043	8.4
415.14050	21.7
416.14139	2.8
419.13431	1.7
433.14963	2.3
434.10104	1.7
530.23529	1.5
595.20026	100.0
595.34064	12.7
596.21564	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	595.1675
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.87711	1.2
57.01237	1.3
57.51908	1.2
59.01381	7.8
65.03928	1.5
67.01893	1.8
68.99812	1.4
69.03455	1.6
71.01378	6.0
71.13430	2.9
73.02934	1.8
75.00871	2.0
78.95909	1.9
79.01897	2.4
81.03473	2.7
83.01393	4.6
85.02952	3.8
85.19302	1.3
87.00892	3.8
89.02441	3.8
93.03468	19.4
95.01399	3.1
96.96031	9.2
96.96986	2.3
97.02961	6.4
99.00861	1.6
101.02466	4.1
105.03451	2.7
107.01389	6.7
107.05007	2.2
109.02975	2.7
111.00908	1.7
111.04521	4.5
116.92863	15.8
117.03476	1.3
119.05042	43.5
121.02938	4.9
123.00874	2.3
123.04550	3.2
125.02477	8.5
135.04539	4.1
137.02428	5.4
138.07600	1.3
139.03995	7.0
142.61296	1.5
143.05011	4.2
145.02975	7.6
147.04541	2.3
149.02431	6.0
149.06133	1.6
150.03197	1.6
151.00380	5.9
151.04015	2.3
155.03526	2.5
157.02908	2.1
159.04553	2.4
161.06085	3.8
163.00319	2.3
163.03996	5.6
164.04713	1.9
165.01923	7.9
167.03461	8.7
173.04588	6.7
177.01917	4.2
179.03432	2.9
185.02461	11.6
187.04079	8.1
191.03542	4.9
191.05615	34.3
193.01431	13.5
197.04539	3.4
199.07721	2.4
203.03510	4.7
205.01456	6.3
205.04863	1.4
207.02908	2.8
209.04514	5.3
219.02940	4.5
223.02519	2.7
227.07269	3.3
235.02510	14.4
247.02382	4.4
249.03894	1.7
265.03485	6.5
265.08475	2.1
271.06125	5.3
283.06174	2.1
313.07193	17.9
314.07538	1.8
325.07117	9.9
339.08591	1.8
343.08273	6.4
355.08249	87.7
356.08539	4.5
367.08301	7.0
385.09283	73.2
386.09613	4.4
397.09302	4.6
415.10321	19.7
415.19418	1.7
416.10849	1.8
421.07773	4.2
445.11890	1.4
457.11313	7.4
475.12509	41.9
476.12540	3.0
487.12469	5.4
505.13516	12.5
577.15393	5.9
595.17004	100.0
596.16534	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	595.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.5
60.85707	0.7
61.98830	2.2
62.27594	0.6
65.00339	0.8
66.42384	0.5
67.01897	0.9
69.42206	0.6
71.01386	3.4
71.17566	1.2
72.99316	3.3
73.02967	0.8
75.63175	0.6
83.01378	0.9
85.02958	0.7
87.00879	0.8
89.02464	2.7
93.03481	1.2
95.01390	3.1
96.96033	1.1
97.02990	0.8
101.02455	2.3
107.01395	2.0
108.02192	1.9
109.02953	1.1
111.00900	0.9
113.02419	0.9
116.92871	0.7
119.03509	0.7
121.03002	3.6
123.00921	4.9
124.01704	1.0
125.02426	1.2
131.98062	0.5
133.02953	0.9
135.04585	1.0
137.02446	1.1
138.03246	1.2
139.00404	3.5
139.04031	1.2
145.76823	0.6
147.04500	1.1
148.01659	2.0
149.02463	0.7
149.06058	0.6
151.00397	4.5
153.01982	1.9
153.05522	0.9
156.24568	0.7
159.04559	0.7
161.02417	1.3
161.04607	0.6
161.79218	0.7
162.03278	1.2
163.00406	1.1
163.03990	1.4
164.01187	0.8
165.01488	0.6
166.02715	1.7
173.04588	1.4
175.03946	0.9
177.01958	1.5
177.05530	1.6
178.02606	0.7
178.99944	3.4
179.03404	0.6
179.05626	0.8
181.05119	3.5
189.01955	0.6
191.03519	1.3
191.05560	2.0
191.07230	0.8
192.00575	0.7
192.04277	2.0
193.05101	2.3
196.85928	0.7
199.04204	0.9
203.03523	5.2
204.04289	0.8
207.06616	2.3
209.04547	2.7
215.03479	0.7
217.05049	1.1
218.05873	3.8
226.02754	1.5
227.03549	2.2
228.04193	0.7
233.08214	2.7
243.02986	9.8
254.02222	2.2
255.02994	24.3
256.03476	1.0
271.02496	56.1
272.03067	3.2
287.09219	0.8
297.26544	0.6
299.02051	1.4
300.02765	100.0
301.03427	11.0
343.08331	0.9
355.08307	1.5
357.09756	1.2
358.10678	4.3
373.12952	11.8
385.13007	5.2
387.10968	1.1
403.09561	1.3
403.14499	4.6
415.13889	1.7
418.12689	2.1
419.13547	0.6
433.15060	30.9
434.15292	1.2
463.09027	0.9
535.27039	0.9
559.31635	0.9
565.15424	0.9
595.13025	62.0
595.20709	11.9
596.13037	3.1
596.21643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39688	1.9
59.01378	4.9
65.00355	1.8
65.24124	1.6
69.81202	11.2
71.01386	5.8
77.27162	1.7
78.91904	3.3
78.95914	4.6
83.87792	1.8
85.02978	2.8
89.79723	1.7
93.03471	10.6
96.96015	34.2
96.96981	3.1
103.05580	4.2
109.02974	2.9
111.04539	6.9
115.05538	8.6
116.92823	2.7
119.05017	2.6
121.06599	7.4
126.28717	2.1
129.01918	2.1
130.04248	3.2
131.05058	8.2
137.02454	3.1
137.06085	5.4
155.03552	8.9
157.02910	2.3
159.04526	95.5
173.04581	16.3
181.04977	9.1
185.02452	7.5
191.05649	22.2
203.03517	100.0
204.03802	2.8
229.01369	6.4
247.02493	86.5
257.54218	2.1
284.38144	2.1
363.39377	2.1
377.41132	2.0
421.07758	59.8
475.14661	9.9
595.13037	51.3
596.13269	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
56.35466	2.5
56.64592	1.9
57.03457	2.6
58.53296	1.9
59.01386	100.0
61.19011	1.9
61.98836	58.0
68.99591	3.2
69.20126	2.1
69.20454	20.7
71.01393	35.9
73.02956	9.5
77.32623	2.2
83.01403	5.0
85.02956	15.4
87.00878	3.2
89.02464	16.9
98.20663	5.9
99.00862	4.3
101.02462	26.2
112.98585	3.4
113.02475	13.8
119.03477	4.8
125.02442	3.9
131.03499	3.1
136.39464	2.0
143.03447	2.5
146.03749	2.2
149.04617	3.7
152.53966	2.0
159.03058	2.1
161.04567	12.7
177.01880	2.1
179.05711	2.7
191.05624	3.3
191.10883	2.1
192.76845	2.3
192.95628	2.1
196.30705	2.4
227.01900	2.3
304.14145	2.2
345.30219	3.9
371.27924	15.0
401.25397	3.4
489.34338	21.9
507.35129	6.6
533.33771	67.4
534.33710	4.1
574.61310	2.3
593.32770	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04028	1.8
57.03450	2.7
57.40616	2.0
59.01384	65.2
60.01704	2.1
61.38434	2.0
61.98836	100.0
68.99555	5.2
69.03482	2.4
71.01391	25.1
72.99344	4.0
73.02950	6.6
78.95905	2.8
81.03482	2.0
83.01392	5.6
84.95085	2.5
85.02957	13.1
86.76162	2.1
87.00891	5.8
89.02452	10.5
93.03453	3.9
96.96019	2.0
99.00867	3.5
101.02454	22.2
111.00895	3.8
112.98556	3.5
113.02461	9.7
125.02446	2.2
131.03503	3.2
138.71521	1.8
149.04567	2.3
161.04555	5.2
173.04565	6.0
191.05655	3.5
357.20770	4.4
371.27817	5.8
375.21857	3.3
461.31241	6.4
489.34454	19.5
507.35242	11.4
533.27325	2.2
533.33069	16.0
549.36578	2.2
593.32562	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03445	2.2
58.00581	1.8
58.23706	0.8
59.01385	42.6
61.98535	1.2
61.98836	16.2
71.01011	1.4
71.01386	23.4
72.99310	1.6
73.02950	4.6
74.19032	0.6
75.00877	1.4
80.06060	0.7
83.01386	2.8
85.02956	8.6
87.00889	2.0
87.04514	1.3
89.02454	14.9
93.03464	0.9
95.01389	1.7
99.00903	2.1
101.02454	16.1
113.02466	10.4
119.03529	4.0
125.02450	1.1
131.03539	2.2
136.23444	0.8
149.04568	1.8
150.04153	0.9
159.02942	1.7
161.04547	5.6
171.13902	0.8
179.05629	1.4
180.38098	0.8
187.67224	0.8
191.05669	2.7
336.97015	0.8
353.26883	2.7
371.28027	9.7
389.38306	0.9
461.31055	2.0
515.32068	0.8
533.33435	100.0
534.33801	7.9
593.34131	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03460	2.0
58.00609	1.1
59.01386	59.7
61.98838	10.7
62.85565	0.9
68.99597	1.3
69.36893	3.3
69.37321	4.0
71.01389	26.5
72.99319	2.5
73.02959	5.0
75.00884	1.5
83.01404	3.3
85.02962	11.0
87.00887	1.7
89.02457	16.9
93.03506	1.0
94.13672	0.8
95.01408	1.6
98.20681	1.7
99.00895	1.8
99.69106	1.0
101.02456	16.1
111.00876	1.2
112.98589	2.2
113.02441	8.3
119.03506	5.2
125.02440	0.8
131.03545	1.9
143.03500	2.0
144.66153	0.9
146.03754	6.0
161.04559	6.1
161.05966	1.9
164.04822	2.9
179.05742	1.3
179.07178	6.7
181.04976	1.2
182.07074	0.9
191.05652	1.2
207.05193	0.9
207.13754	1.0
209.11842	1.2
233.11845	2.5
315.08792	2.0
371.28055	5.7
401.25449	2.0
404.88834	1.0
413.18256	1.6
533.33606	100.0
534.33856	7.4
593.24860	2.7
593.32788	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	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99643	0.5
55.38611	0.6
59.01378	1.5
59.31567	0.6
61.98833	1.3
64.12005	0.5
65.68556	0.6
69.33394	4.9
71.47205	0.6
72.39793	0.6
78.95911	65.2
96.96034	3.7
96.96969	12.2
98.95627	0.8
121.02916	1.3
152.99599	100.0
153.99928	0.9
160.37456	0.7
170.11725	0.6
171.00624	2.7
223.00163	11.6
240.98750	1.2
241.01210	26.0
259.02176	2.4
277.21735	47.5
278.22156	2.2
305.17639	0.9
315.04901	18.0
316.05197	0.7
333.06100	1.1
359.02899	0.7
363.21005	0.6
526.39020	0.7
568.24109	0.6
593.27368	92.7
593.35840	4.2
594.27753	6.4
613.34692	0.8
619.18597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24852	2.2
58.00591	2.4
59.01382	100.0
60.51665	2.0
61.29329	1.8
61.98824	5.3
71.01390	55.9
71.56728	3.1
72.99306	7.9
73.02953	6.0
75.00864	5.1
78.59919	2.0
78.95908	4.9
83.01385	2.9
85.02956	13.4
87.00865	6.3
89.02450	75.2
93.03468	7.9
95.01386	3.6
96.96030	36.2
96.96988	8.0
97.27130	1.7
99.04469	1.9
101.02456	34.6
105.01955	2.2
109.02939	2.1
111.00865	5.8
111.06050	2.0
113.02460	19.5
119.03508	29.7
121.02959	2.7
127.03970	2.5
131.03516	5.7
133.02994	2.7
137.02386	3.6
143.03485	6.7
149.02396	2.3
149.04538	8.1
161.02438	2.3
161.04584	11.6
162.04707	2.7
163.06305	1.9
165.05510	3.0
165.09192	7.6
173.04565	9.2
179.04041	3.1
179.05602	30.1
181.29929	2.2
190.01950	2.3
191.05623	30.4
285.03979	3.6
368.62878	2.3
413.12393	2.5
431.13245	3.3
533.26306	4.2
546.27515	2.3
557.24396	6.3
593.14642	4.0
593.31647	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	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
78.95909	65.3
92.32196	0.6
96.96023	1.3
96.96964	11.6
98.19910	1.3
113.69953	0.7
120.32620	0.6
152.99597	91.3
171.00667	2.3
207.27505	0.6
217.99785	0.6
223.00137	8.9
241.01202	24.8
249.04803	0.7
253.42395	0.7
259.02335	1.7
277.21747	46.9
278.22089	1.8
289.52679	0.9
294.46005	0.8
315.04907	19.2
333.06049	1.6
340.81064	0.9
342.76917	0.7
582.31415	0.8
593.27344	100.0
594.27570	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	593.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07726	1.1
54.05174	1.1
54.46887	0.9
58.00599	1.4
59.01387	48.7
61.98833	4.4
71.01387	26.1
71.56954	1.5
72.06863	0.9
72.99318	2.8
73.02955	1.9
73.91769	0.9
75.00877	1.7
78.95921	1.9
80.59516	1.0
83.01421	1.5
84.95124	3.0
85.02950	6.6
87.00887	1.7
89.02453	25.9
93.03469	3.2
95.01401	2.8
96.96014	14.1
96.96976	3.4
97.02961	1.1
99.04536	30.7
101.02452	14.7
109.06552	1.1
111.04486	2.0
113.02460	10.8
115.38115	1.1
119.03483	5.4
129.01941	1.8
130.30299	1.0
131.03560	1.5
135.04507	1.1
143.03499	2.1
149.04579	1.8
155.61131	1.0
157.94725	1.1
161.02492	1.7
161.04578	2.8
163.07689	2.1
173.04518	2.2
179.05679	2.7
187.85930	1.1
189.12885	11.1
190.06400	1.0
191.05589	4.6
207.13939	31.7
212.68806	1.1
225.05388	1.1
227.03424	6.1
229.05080	2.6
231.13858	3.1
233.11693	1.2
251.12900	65.7
252.13319	2.6
255.02956	9.2
256.03625	1.7
269.13956	1.3
275.12958	7.1
284.03262	11.7
285.04086	13.8
293.13901	1.5
323.14969	2.0
329.13919	3.5
353.16003	4.5
359.14972	3.0
377.76794	1.2
413.18185	8.5
431.19226	100.0
432.19666	5.2
455.19293	3.7
473.20358	5.4
503.21417	3.4
533.22260	8.3
557.29028	1.9
593.15125	17.7
593.24902	7.6
593.33185	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99097	0.4
59.01386	0.7
63.02401	1.0
64.93403	0.3
65.00345	0.6
69.58446	0.8
69.58858	1.4
83.01384	0.5
83.41277	0.3
91.01885	0.6
93.03474	1.8
96.95995	0.9
101.02494	0.4
103.27418	0.3
107.01397	2.4
108.02206	0.4
109.02961	0.8
117.03450	0.4
131.05043	0.4
132.02194	1.2
135.00858	2.2
143.05025	1.1
145.02988	0.5
145.06551	0.6
151.00356	3.0
157.06577	0.7
159.04526	1.7
163.00417	3.0
164.01180	0.7
165.01974	0.6
167.05035	1.0
169.06570	0.7
169.81764	0.4
171.04466	0.9
173.04660	0.5
183.04489	1.2
184.05287	0.3
185.06104	2.6
187.04007	3.2
189.05620	0.9
191.05582	0.5
195.04474	1.1
197.06100	1.0
199.04053	1.3
200.04691	0.5
201.05569	0.6
211.04010	2.4
212.04964	0.4
213.05537	2.1
215.03528	0.7
227.03506	39.0
228.03960	1.9
229.05070	13.4
230.05385	0.5
239.03400	1.9
240.04211	0.7
241.05048	2.0
243.03059	0.6
251.13077	0.4
255.03000	65.2
256.03644	6.7
257.04578	7.7
258.04837	0.4
267.03101	0.8
269.04333	0.4
284.03281	70.2
285.04050	99.3
286.04410	4.7
315.08429	0.5
327.04959	0.9
431.19336	1.1
513.52606	0.4
593.15137	100.0
594.15454	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	592.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25188	0.2
59.01388	0.3
61.98834	0.8
66.71910	0.2
71.56889	0.2
71.57224	0.3
78.95916	3.8
79.95734	2.2
79.96089	0.2
96.96023	100.0
96.96909	5.0
103.26334	0.2
115.28356	0.2
144.90257	0.3
152.73369	0.2
264.20636	0.2
389.16742	0.3
410.02347	0.3
587.71600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.99242	0.4
61.98835	100.0
70.85331	0.9
70.85680	0.4
79.74502	0.4
80.96518	0.6
96.96029	0.4
133.00455	0.3
156.98842	0.3
161.00743	0.4
173.04652	0.5
301.59021	0.4
333.47849	0.4
407.42471	0.4
509.34872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87549	0.3
52.53475	0.3
59.01406	0.6
61.61607	0.4
61.98830	1.1
63.02399	0.7
65.00346	0.4
71.56914	0.5
71.57291	0.6
83.01371	0.4
87.00861	1.7
88.98824	0.9
93.03445	1.0
96.96022	0.6
107.01402	1.8
109.02940	0.5
124.01657	0.8
132.02165	1.3
135.00868	1.1
139.04031	1.5
151.00369	3.2
155.05035	0.5
159.04544	0.4
163.00400	1.4
165.01874	0.6
167.05064	0.8
169.01414	0.5
169.06569	0.6
171.04414	0.5
178.99870	0.5
183.04590	0.7
185.02496	0.5
185.06100	1.0
187.03955	1.8
189.05492	0.7
199.04068	0.6
211.04070	2.1
213.05605	0.9
217.04909	0.4
227.03519	36.7
228.03963	1.3
229.05077	4.7
230.05417	0.4
239.03534	1.1
241.05124	0.9
255.03015	64.7
256.03619	5.5
257.04587	2.6
260.07053	0.5
267.02893	0.7
283.02405	0.8
284.03287	87.9
285.04044	33.7
286.04462	0.8
301.09103	0.4
303.08813	0.9
327.05157	1.5
331.08475	1.8
421.69797	0.4
593.15149	100.0
594.15405	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	592.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98835	100.0
67.35561	0.3
71.01385	2.1
71.24140	0.2
71.55093	0.4
73.02943	0.4
78.15002	0.3
78.95922	0.7
85.02958	0.7
87.00931	0.3
89.02460	1.5
101.02457	1.3
111.99946	0.3
113.02487	0.7
114.02767	0.3
123.55280	0.3
131.03481	0.3
137.52046	0.3
149.04623	0.6
152.99556	0.4
181.76193	0.3
184.67528	0.3
191.05698	0.4
209.11784	0.5
210.12280	0.4
236.01102	0.3
237.30481	0.3
531.31946	0.5
532.32050	2.2
533.33081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24337	0.2
57.03469	0.2
59.01386	3.5
60.01703	0.2
61.98835	100.0
68.99551	0.2
70.28008	0.2
71.01392	2.5
72.99331	0.2
73.02967	0.6
78.95933	0.2
81.30399	0.2
85.02969	0.7
87.00924	0.2
88.98786	0.2
89.02447	1.7
94.82489	0.2
96.96032	0.4
101.02458	1.2
102.02806	0.2
111.68194	0.2
113.02477	0.8
131.03534	0.5
133.16144	0.2
135.04562	0.3
140.57158	0.2
149.04578	0.8
161.04631	0.3
173.04630	0.3
177.02104	0.3
191.05643	0.8
211.10228	0.2
229.49518	0.2
235.78696	0.2
242.02371	0.2
243.02802	0.2
257.02081	0.2
400.24216	0.4
435.51575	0.2
532.28033	2.3
533.33777	1.5
592.17456	1.0
592.31403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98853	25.7
64.18988	3.8
67.90981	3.3
70.09345	8.7
70.09739	7.5
71.01389	36.3
73.02948	10.9
78.95914	4.5
83.01398	3.2
85.02958	14.6
89.02445	31.9
98.19955	4.4
101.02454	23.5
113.02448	14.6
120.60203	3.7
131.03513	11.1
149.04543	25.4
161.04539	7.4
162.81219	3.2
191.05646	9.0
348.11786	4.4
349.59607	3.9
357.22702	3.9
369.26224	5.5
487.32733	34.8
505.33951	18.7
531.26685	24.1
591.32104	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	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16534	1.9
59.01386	80.2
59.01693	3.9
61.98831	17.6
69.30664	2.3
70.03732	7.5
70.04134	3.1
71.01389	44.2
73.02965	14.3
82.95420	3.8
83.01399	5.4
84.95186	2.1
85.02956	18.7
89.02458	25.1
97.02962	2.5
98.19937	3.3
99.00900	3.0
101.02458	33.6
111.00897	7.4
113.02460	13.5
125.02466	3.9
131.03513	11.0
139.04099	2.2
142.51596	2.0
143.03506	3.1
149.04599	12.6
161.04546	7.4
184.54652	2.0
191.05658	5.8
214.93808	2.3
233.06641	4.6
257.47073	2.1
263.84311	2.1
293.08914	5.0
399.23816	11.7
436.83212	2.5
453.39972	2.4
487.32861	17.3
505.33795	9.3
531.28094	100.0
532.28363	6.5
591.32178	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	591.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49707	1.2
55.01880	2.1
57.03450	1.4
58.00615	1.1
59.01384	35.0
67.92059	1.0
69.03444	1.2
70.85391	3.1
71.01015	2.4
71.01391	34.6
72.99313	2.6
73.02967	9.0
78.95909	1.5
81.03477	1.2
82.95401	2.5
83.01406	5.6
85.02969	10.6
87.00875	1.3
89.02451	22.9
91.51492	1.1
96.96032	1.8
97.02940	1.7
99.00888	2.5
101.02457	25.2
111.00903	8.0
113.02468	9.9
115.04045	2.3
119.03479	1.8
125.02454	2.9
127.80873	1.0
131.03526	10.2
143.03593	1.3
149.04581	8.2
161.04546	3.1
191.05632	3.4
233.06647	4.7
277.20206	1.2
293.08865	3.2
399.23840	10.9
454.93054	1.2
503.13831	1.3
531.28119	100.0
532.28583	5.7
594.77356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
59.01383	39.9
61.98841	7.2
69.03442	1.3
71.01014	2.4
71.01390	38.4
72.43250	1.1
72.99306	1.6
73.02966	8.5
82.95483	1.8
83.01379	4.2
85.02964	12.5
87.00887	1.3
89.02451	24.2
97.02958	1.8
99.00881	3.4
101.02455	21.2
111.00886	5.6
113.02464	10.2
115.03977	2.2
119.03494	2.7
125.02432	4.4
131.03531	8.8
143.03491	2.1
149.04547	11.1
159.02971	1.3
161.04533	4.6
191.05608	3.0
233.06638	4.4
237.18640	2.4
293.08875	6.8
399.23856	8.1
487.33002	1.8
505.33685	1.8
531.28113	100.0
532.28302	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	590.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
58.00583	4.3
59.01387	100.0
60.01741	1.1
61.98819	3.9
70.02391	1.1
70.02718	4.1
71.01389	66.7
72.99313	7.0
73.02934	2.1
73.54221	1.2
74.83909	1.0
83.01379	2.8
83.05042	1.3
85.02956	11.8
85.06617	2.8
87.00877	3.0
88.04050	1.7
89.02454	74.4
90.02768	1.2
91.52380	1.1
95.01382	3.3
96.96029	13.9
101.02455	50.1
108.08188	4.4
113.02461	32.1
119.03513	37.3
124.07703	1.3
126.09297	7.3
131.03514	3.0
138.09247	3.0
143.03506	7.0
149.04524	3.3
154.08707	1.2
156.10310	3.0
161.04562	4.5
166.08696	1.4
168.77106	1.0
179.05615	15.0
184.09782	2.0
204.61554	1.1
223.20657	1.3
225.22232	14.3
229.13409	1.4
253.21768	1.8
270.24289	1.9
271.22791	6.8
296.25912	4.6
312.25513	2.2
392.31677	5.8
410.32785	54.3
411.33246	3.6
428.33826	21.5
429.34143	1.3
451.11682	1.3
554.27338	1.6
590.31097	5.3
590.39136	73.7
591.30011	3.6
591.39380	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	589.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.89946	1.6
57.03429	2.5
58.00601	2.3
58.09998	1.5
59.01383	62.0
61.98819	7.7
68.21219	1.8
70.29726	5.4
71.01386	53.6
72.41268	1.6
72.99312	2.4
73.02965	13.1
83.01375	5.7
85.02954	15.2
87.00877	5.0
87.33641	1.5
89.01937	3.1
89.02452	44.9
96.95997	5.4
97.02946	2.0
99.00874	4.5
101.02449	36.4
111.00887	3.8
112.23071	1.7
113.02447	15.2
115.04089	2.0
119.03498	3.4
125.02450	3.0
131.03503	22.2
141.31035	1.7
143.03471	2.3
149.04568	25.9
161.02515	1.7
161.04643	7.7
169.78165	1.6
177.01839	2.2
191.05624	11.5
204.73485	1.6
217.15971	2.7
223.06024	4.7
233.06589	1.9
235.17001	3.5
273.54443	1.7
293.08755	3.9
397.22333	13.7
529.26514	100.0
530.26630	10.0
559.27441	3.1
589.31537	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	590.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76711	0.2
59.01384	0.8
61.98836	100.0
71.01396	0.6
71.02860	0.5
73.60845	0.2
89.02456	0.2
96.96027	0.2
101.02425	0.3
108.98650	0.2
116.72657	0.2
131.03537	0.5
142.86517	0.2
173.04576	0.2
231.37515	0.2
591.25189	0.3
591.33783	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	587.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73171	1.8
55.01883	2.4
57.03457	3.2
58.00589	3.9
59.01383	97.1
61.98542	2.8
61.98838	48.2
71.01389	80.8
71.01785	4.0
72.99295	5.6
73.02965	13.4
83.01402	4.6
85.02953	15.3
87.00871	9.5
89.02457	100.0
93.03469	2.9
95.01373	2.0
96.96004	8.7
97.02932	2.2
98.19845	3.4
99.40374	1.9
101.02452	51.4
103.04027	2.3
111.00901	4.7
113.02459	16.8
119.03529	9.8
125.02449	6.9
131.02556	3.5
131.03517	52.7
136.93373	1.9
143.03470	2.5
148.34792	2.0
149.04568	98.2
155.03511	2.1
163.30226	2.0
173.04561	8.7
191.05629	35.8
215.14406	12.4
233.15456	2.9
293.08771	8.1
295.95911	1.9
311.09793	2.3
404.26691	2.4
527.25043	83.0
528.25317	6.6
543.35590	2.3
587.30438	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72414	0.6
55.01872	0.9
57.03439	1.2
58.00575	1.0
59.01384	30.4
59.55518	0.7
61.05414	0.8
71.01388	25.9
72.99286	1.2
73.02955	6.7
78.95910	1.6
83.01374	2.0
85.02955	4.6
86.00117	1.6
87.00878	10.8
89.02451	28.8
93.03462	1.3
95.01381	1.0
96.95458	1.3
96.96021	13.4
96.96971	2.2
97.02959	0.7
98.95599	3.4
99.00866	1.1
101.02455	15.8
107.05044	0.8
109.02897	1.0
111.04520	1.9
113.02452	3.4
116.92851	2.6
119.03458	1.6
121.02950	0.8
121.06579	1.4
123.08149	2.4
131.03508	30.8
149.04576	10.4
160.14635	0.7
171.11795	3.3
173.04520	1.9
189.12886	6.9
191.05617	21.1
215.10744	1.5
233.11751	0.8
239.57368	0.7
277.10825	2.6
294.05164	0.8
545.22375	2.4
589.21368	100.0
590.21753	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	587.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79715	8.7
59.01384	36.1
61.98837	30.2
62.51853	6.9
71.01382	19.9
71.57011	11.4
73.02956	8.4
76.80222	7.2
82.66468	9.3
82.95426	21.3
85.03001	8.8
89.02454	30.9
96.96033	17.8
101.02409	12.2
106.36153	7.9
109.41256	8.6
111.01025	7.6
113.02487	9.1
113.87029	8.4
119.03528	14.8
126.90408	21.6
135.04439	11.1
179.05713	7.7
191.05629	25.7
203.64461	7.0
326.11398	8.9
341.10242	49.9
356.12601	10.6
371.15027	100.0
474.80118	7.4
585.32471	8.9
587.26196	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	587.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78070	10.9
59.01379	60.4
59.97007	11.9
61.98827	31.7
69.21310	100.0
71.01381	42.7
73.02927	15.1
78.72704	9.4
78.95908	50.9
80.91691	59.9
82.95409	16.0
85.02967	25.4
87.00891	13.4
89.02457	20.3
93.03474	18.9
96.96015	56.8
96.96962	26.5
101.02442	19.9
113.02458	30.0
135.04529	13.2
161.02452	17.8
173.04561	18.6
191.05652	53.5
244.16333	10.7
300.02896	13.6
310.19604	11.3
359.14975	34.5
371.15146	18.5
396.68326	10.4
505.26422	27.2
587.25702	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3057
Annotation	Methyl ganoderate H
Peak:m/z	Relative Intensity
57.03460	1.4
59.01387	28.7
60.35636	1.3
61.98839	100.0
62.14529	1.4
64.30211	1.4
69.03490	1.6
69.33574	13.1
71.01395	14.7
73.02951	3.2
74.98501	1.4
75.00889	1.5
78.95921	2.2
82.95431	1.7
85.02964	4.9
87.00878	2.8
89.02457	15.8
93.03516	2.8
96.96040	6.3
98.20663	2.9
101.02464	12.1
105.22850	1.3
111.04592	1.3
113.02468	5.2
113.06142	1.7
119.03521	1.4
131.03529	4.6
135.04581	2.8
148.91028	1.9
149.04576	11.2
150.03197	2.4
165.05603	3.4
173.04616	3.6
191.05682	11.0
231.13831	3.3
291.17886	1.5
296.03131	1.7
370.19260	1.9
423.22311	4.2
440.51505	1.4
497.28000	1.8
549.33105	18.1
585.30579	72.1
586.30853	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	585.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59990	0.6
57.03444	1.8
59.01379	1.6
61.98807	0.6
66.07371	0.6
68.99570	0.6
69.03470	0.8
71.05015	0.8
71.72618	0.7
78.95915	3.0
81.96974	0.5
83.05026	1.4
85.02899	0.6
92.92770	0.8
95.35229	0.6
96.96029	2.8
96.96976	4.6
113.09740	1.3
120.58693	0.6
125.09692	1.0
127.11272	0.8
221.19127	33.3
222.19408	1.7
237.18593	0.8
239.20230	3.6
250.44032	0.6
257.21292	1.1
263.43402	0.6
265.18103	22.9
283.19165	32.3
284.19565	0.9
297.42783	0.6
301.20209	23.1
487.34393	2.6
567.39209	2.4
585.40149	100.0
586.40466	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	585.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82941	5.9
70.03456	28.2
73.54472	6.3
78.95940	7.5
89.88892	6.0
102.89820	6.7
116.92895	6.3
255.23344	100.0
306.12698	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	586.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14151	0.2
59.01387	1.7
61.98836	100.0
63.99276	0.3
64.59732	0.2
69.58107	0.2
71.01391	0.9
72.97543	0.4
73.02953	0.2
76.13949	0.2
78.91901	0.2
78.95916	0.2
82.95410	0.4
83.01404	0.4
85.02956	0.4
85.05490	0.2
87.00916	0.4
89.02463	0.9
93.03493	0.4
95.44456	0.2
95.73405	0.2
96.96049	0.8
97.37615	0.2
99.00874	0.3
101.02473	0.6
113.02499	0.3
115.34979	0.2
116.57436	0.2
116.92889	0.2
119.03556	0.3
135.04575	0.4
149.04596	0.5
150.03250	0.4
150.84079	0.2
154.99886	1.2
163.16348	0.2
165.05632	0.7
165.17003	0.2
173.04550	0.5
174.04984	0.2
191.05658	1.2
228.79155	0.2
247.67220	0.2
262.05579	0.2
265.50146	0.2
396.18240	0.2
406.16422	0.2
526.36017	0.3
527.25226	0.5
586.25153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
69.59858	1.8
71.01383	0.4
73.34590	0.3
78.95911	27.8
79.53459	0.3
79.95752	3.0
80.64102	0.2
91.31157	0.3
92.90710	0.2
96.96013	100.0
96.96960	43.3
100.38501	0.3
132.45769	0.3
210.04489	0.3
222.57829	0.3
606.07336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98837	100.0
69.37192	2.0
69.97713	0.3
71.01379	1.2
73.02966	0.2
85.02988	0.3
89.02473	1.1
96.96041	0.7
101.02451	0.6
104.91280	0.3
109.02997	0.4
113.02409	0.3
135.04559	0.7
137.02478	0.3
149.04427	0.3
150.03152	0.3
173.04585	0.3
179.03578	0.4
191.05681	1.1
494.45190	0.3
523.27173	0.3
524.27228	1.1
537.19788	0.3
584.33777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15046	0.2
57.43952	0.2
59.01382	0.6
61.71324	0.2
61.98838	100.0
63.71439	0.2
69.52534	0.7
69.52957	0.7
71.01392	0.5
78.95937	0.4
85.02950	0.4
89.02467	0.3
93.03477	0.2
98.20757	0.2
101.02436	0.2
119.03509	0.2
132.58661	0.2
133.73024	0.2
173.04619	0.2
191.05717	0.7
238.93547	0.2
242.10707	0.2
351.35211	0.2
402.35657	0.2
482.24268	0.2
524.35272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41193	0.3
57.03445	0.5
57.44296	0.3
59.01109	0.7
59.01389	9.3
60.01714	0.4
61.98838	100.0
71.01392	7.4
71.09176	0.3
71.57011	0.6
72.01752	0.5
72.99317	0.6
73.02969	0.8
74.03295	0.3
78.95913	1.4
83.01393	0.7
85.02953	2.2
87.00887	0.7
89.02454	6.3
90.02797	0.6
93.03487	0.8
95.01436	0.4
96.96024	0.8
96.96953	0.4
97.02976	0.3
101.02459	4.4
113.02446	2.6
119.03532	2.6
120.03835	0.4
125.02499	0.5
131.03534	0.8
135.04533	0.5
138.02798	0.3
142.89273	0.3
151.04037	0.8
153.05655	0.8
154.05963	0.4
161.04602	1.5
163.04060	0.4
173.04613	1.3
179.03604	0.4
179.05658	1.1
180.05997	0.4
181.05098	9.3
181.06598	0.7
182.05434	5.1
189.27965	0.3
191.05637	1.4
194.30389	0.4
196.07433	6.3
197.07770	3.1
209.08162	0.3
211.09787	6.5
212.10106	3.7
241.01128	0.4
274.06058	0.3
348.24493	0.5
361.29926	0.5
362.29883	0.4
371.13715	0.4
372.13715	0.4
422.21127	0.5
438.34811	0.4
523.34943	4.5
524.35229	4.4
584.25482	1.6
584.75842	0.5
594.00171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2891
Annotation	Methyl ganoderate F
Peak:m/z	Relative Intensity
53.10769	2.1
54.47953	2.0
59.01386	32.7
61.98837	42.9
64.19155	2.7
70.66112	2.4
71.01406	12.4
73.02963	4.9
85.02965	7.3
87.00871	2.6
89.02469	8.4
96.96039	12.5
101.02435	8.6
113.02415	3.1
119.03553	3.3
125.02449	5.3
135.04529	4.2
167.03552	2.4
173.04579	3.4
191.05620	6.9
229.41408	3.0
235.72174	2.5
240.54443	2.4
319.17789	2.4
361.29623	3.8
385.26260	2.7
415.92947	2.8
428.48471	2.5
431.62888	2.5
507.10095	2.7
523.34802	17.9
547.31262	30.8
583.11786	3.2
583.28949	100.0
584.29407	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	583.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
57.39660	1.6
58.00588	2.2
59.01384	59.4
61.98836	24.3
67.01855	1.9
69.03462	2.7
69.59607	7.9
69.60016	3.7
71.01012	2.7
71.01390	43.6
72.99301	2.7
73.02958	11.2
75.00890	2.3
78.95914	2.8
81.03445	1.7
83.01394	4.9
84.38435	1.5
85.02959	13.4
87.00874	4.9
89.01939	2.9
89.02455	43.7
93.03458	5.8
94.43637	1.5
95.01414	1.7
96.96021	21.2
96.96955	2.4
97.02925	2.4
98.28506	1.6
98.95606	1.6
99.00872	1.9
101.02448	26.6
108.02168	2.1
111.00896	3.6
111.04548	2.0
113.02478	15.3
116.92850	2.5
119.03517	7.6
121.02946	3.8
123.04520	2.7
125.02454	3.6
131.03496	18.5
134.03723	2.5
135.04504	5.5
136.05278	5.9
137.02457	7.4
138.03218	2.8
139.00327	1.8
143.03458	2.2
149.02411	1.9
149.04565	16.9
149.99573	1.7
151.00348	1.9
151.04019	3.2
151.07648	1.6
153.01903	4.6
161.04604	4.1
163.04044	2.9
165.01944	50.4
165.05519	2.4
166.02719	12.5
173.04539	6.1
177.01968	2.2
178.02693	2.4
179.03488	9.0
179.05730	1.6
179.42000	1.8
180.04309	36.0
181.05084	20.6
183.92314	1.9
185.96843	1.7
190.03340	1.7
191.03973	2.8
191.05620	29.8
193.05054	3.6
194.05847	2.1
195.06651	72.3
196.06960	1.6
209.08076	2.0
210.05345	8.8
211.06146	20.9
215.05620	2.1
225.07722	31.6
233.06615	2.2
341.10223	3.0
358.10434	3.6
373.12839	12.7
391.23593	9.9
391.27673	1.6
396.33777	1.8
403.13950	5.9
421.15082	58.1
422.15250	3.2
523.27686	100.0
524.27576	6.0
577.89038	1.8
583.19958	3.9
583.31555	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07165	0.6
59.01397	1.5
61.98861	0.6
67.42769	0.7
68.99595	1.1
69.55824	1.9
69.56252	2.4
73.54250	0.5
179.32982	0.6
318.25232	0.7
421.31369	1.9
445.51746	0.8
499.34308	100.0
500.34683	6.4
507.32925	0.9
581.34607	52.3
582.34735	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	582.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98835	100.0
65.31375	0.2
69.44268	1.5
71.01388	0.8
81.03660	0.2
85.02948	0.2
89.02444	0.5
98.20721	0.4
101.02477	0.4
101.12785	0.2
149.04521	0.2
157.56003	0.2
191.05637	0.5
199.95786	0.2
226.10101	0.2
271.09689	0.2
286.37656	0.2
331.11725	0.2
339.31046	0.2
403.14102	0.4
522.25714	1.2
533.17688	0.2
559.84497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.7
59.01386	5.4
61.98833	2.9
62.63829	1.4
69.72747	1.7
70.28419	1.5
71.01395	5.3
71.20171	1.5
71.55240	1.7
71.55657	2.0
89.02461	3.4
92.07782	1.8
93.03465	2.1
93.65727	1.6
96.96014	9.7
96.96989	1.9
99.00886	6.2
101.02450	2.9
102.04060	1.8
102.79021	1.5
108.02195	1.9
123.04552	2.2
134.03758	3.4
135.04597	2.2
147.04555	5.0
148.05341	3.0
149.02391	2.0
149.06073	5.5
153.05609	2.4
160.05333	2.8
161.02455	1.6
162.03249	5.1
162.06837	3.6
163.04031	2.1
163.07651	2.8
165.05571	2.3
173.04565	1.9
173.06084	4.5
175.04048	2.7
175.07599	2.4
176.04744	3.8
177.05602	8.9
188.04771	5.0
189.05635	3.3
190.02702	2.3
190.06421	2.9
191.05551	4.3
191.07141	3.7
193.05022	3.1
195.06525	2.4
202.02788	2.0
202.06406	3.9
203.07191	2.2
204.04335	3.7
205.05038	2.9
205.08702	2.3
207.06642	4.5
216.04276	6.4
217.08643	8.4
219.06636	15.3
221.08224	6.6
231.06606	10.4
233.04539	7.1
235.06134	20.2
249.07651	9.9
251.05539	10.8
265.07202	1.9
273.07834	2.1
284.48981	1.8
291.08603	2.9
293.06766	14.7
309.09711	2.6
353.08789	100.0
354.08987	5.5
413.10995	3.5
515.13934	23.5
583.14539	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	581.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98843	8.9
67.89348	2.7
69.38572	24.3
71.01389	64.5
72.99310	5.1
73.02953	9.1
78.91887	7.6
78.95918	4.9
85.02956	14.4
87.00886	7.3
89.02453	95.0
93.03486	6.6
101.02452	46.0
113.02448	13.0
113.63253	3.0
116.92863	11.6
119.03526	7.7
131.03531	37.7
142.29663	3.3
149.04568	84.6
153.09233	5.8
155.82724	3.1
173.04573	10.2
177.01949	3.9
191.05640	37.9
311.09442	4.2
329.14221	6.6
345.17007	4.7
389.15970	4.0
401.12476	5.3
483.29108	3.0
521.26050	80.3
521.33594	6.4
522.26270	5.9
545.33478	9.9
563.21014	4.9
572.02545	3.4
581.35040	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	581.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03452	2.1
58.00592	2.4
59.01387	67.2
61.98837	16.5
69.03453	1.4
69.75597	0.9
71.01389	41.0
72.99310	2.8
73.02955	10.0
75.00848	1.2
78.95944	0.9
83.01406	6.7
85.02959	16.2
87.00896	4.7
89.02454	32.9
93.03461	3.9
95.01405	2.4
96.96017	9.8
97.02982	1.5
99.00890	3.2
101.02455	34.0
101.06098	1.0
108.02057	0.9
111.00899	3.5
113.02472	16.0
116.91974	0.8
116.92807	1.5
119.03535	5.8
125.02455	3.0
131.03510	12.0
143.03490	2.2
149.04581	6.8
150.03217	2.3
161.04558	4.7
165.05602	5.6
173.04591	6.0
179.05615	1.9
179.15448	0.8
191.05615	12.8
232.07520	1.3
233.06789	1.5
329.35947	0.9
375.20233	8.1
386.17685	1.0
389.16623	1.9
389.21796	10.9
395.78467	0.9
401.28961	2.0
419.30103	1.9
447.10855	1.1
521.26129	100.0
521.33240	10.1
522.26141	5.8
545.33075	2.0
563.21246	3.3
581.21777	1.8
581.35645	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37477	1.9
53.47182	1.9
55.01891	1.8
56.51224	1.8
57.03452	3.5
58.00590	2.5
59.01387	72.1
60.28722	2.1
61.98833	17.6
67.01912	1.9
69.62066	12.3
71.01013	2.8
71.01392	47.9
72.99310	5.2
73.02949	9.1
73.03299	2.2
75.00837	3.2
78.95936	4.6
81.03467	3.5
83.01387	5.7
85.02960	20.0
87.00877	6.5
88.98815	2.6
89.01936	3.3
89.02454	35.8
91.75017	1.9
93.03455	19.2
95.01379	3.3
96.95989	2.9
96.96923	2.4
97.02953	3.1
99.00883	3.8
101.02457	34.8
107.01356	1.9
109.02959	2.0
111.04523	2.6
113.02477	13.7
115.92078	7.5
116.92855	3.8
119.03503	5.8
123.04504	4.0
125.02411	3.0
125.47357	2.0
131.03537	14.6
134.03737	2.8
137.02490	2.5
137.09639	1.8
143.03516	1.8
143.51596	2.0
148.29626	1.7
149.04533	8.2
150.03055	2.3
150.26917	1.7
151.00356	6.0
152.00714	1.7
155.03453	2.5
161.04594	4.1
167.10785	1.9
171.10300	2.3
173.04617	22.2
173.06064	3.2
179.05568	2.4
191.05629	33.8
195.06677	2.4
203.07114	4.1
204.08003	2.6
230.09431	2.9
232.07359	6.4
238.76328	2.0
247.09613	2.8
290.26431	1.9
293.08646	2.2
301.07166	6.1
302.07538	7.2
303.07712	6.8
341.10364	5.7
371.11212	4.7
389.16092	10.4
389.21826	13.2
401.11975	1.9
407.17108	5.6
446.13977	2.5
521.26105	100.0
521.33258	9.9
522.25970	5.3
542.04236	2.1
563.21564	15.6
581.23407	12.0
581.34460	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	581.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98840	4.5
69.41182	4.8
71.01403	3.3
72.99318	1.0
73.02937	1.0
74.29703	0.6
75.00879	20.1
78.10799	0.7
78.95914	1.1
85.02970	1.8
89.02477	2.2
93.03482	1.0
101.02456	2.8
110.54933	0.6
116.92879	3.5
121.02969	1.5
127.51864	0.6
131.03487	0.8
147.04544	0.7
149.04572	1.2
150.04930	0.7
155.78168	0.7
173.04562	1.2
177.01936	0.9
191.05623	4.2
192.04576	0.7
195.12823	0.7
208.07564	0.7
251.07668	0.7
269.08176	7.9
281.08292	1.0
283.09845	3.9
299.09241	4.2
311.09302	6.8
314.11612	11.2
325.10938	1.4
326.11633	7.6
329.13977	45.5
330.14301	1.5
341.13965	26.3
389.16299	2.8
407.21310	0.7
521.25781	3.8
581.31586	1.6
604.85999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.4
61.98835	46.6
71.01373	11.7
71.54034	11.5
72.99315	59.2
89.02459	13.4
91.00375	16.3
93.04894	6.8
96.95992	23.2
118.53552	6.5
126.13201	6.4
158.36575	7.0
190.68167	7.3
222.78497	6.9
253.09283	30.1
253.11723	7.3
291.19669	100.0
471.68546	6.6
545.34723	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.1
57.03455	3.6
58.00601	2.0
59.01388	95.6
61.98837	22.5
69.03484	2.0
71.01397	32.7
72.99319	2.9
73.02961	10.6
75.00906	2.0
77.69840	2.0
78.95902	2.7
83.00981	1.8
83.01408	7.5
83.05014	3.8
85.02977	16.4
87.00901	9.3
88.98820	2.4
89.02466	26.4
93.03481	10.3
95.01404	2.3
96.69234	2.0
96.96029	7.9
97.03024	2.9
99.00857	3.4
99.04510	3.7
99.92598	2.0
101.02454	23.6
108.02205	4.5
109.02979	3.2
111.00882	2.6
111.04520	4.1
113.02454	10.8
115.92101	12.5
116.92873	4.5
119.03528	5.2
119.05037	2.1
121.06593	3.3
122.03765	3.4
123.04571	7.1
125.02464	4.1
131.03500	5.4
134.03763	6.8
135.04549	17.1
136.05324	6.0
136.13083	1.9
137.02470	3.4
137.09712	5.7
149.04529	2.4
149.06076	2.1
150.03246	3.5
151.00400	2.7
151.03996	4.7
151.07669	4.0
155.03525	2.6
161.02420	2.2
161.04645	2.0
161.09724	4.0
163.07680	8.1
165.05463	2.0
173.04622	14.3
175.03986	3.4
177.05548	3.2
178.02797	2.1
179.10786	2.8
181.05040	3.5
181.08783	5.1
191.05637	31.1
191.07213	3.5
192.06146	2.1
193.05089	8.1
195.06641	100.0
197.11850	4.0
201.05591	2.3
203.07320	2.0
205.08856	2.0
223.09862	4.4
232.07425	5.0
265.10938	2.1
306.38544	2.0
327.16061	4.2
345.17160	3.3
359.27744	2.0
385.15024	3.2
389.16110	5.1
389.21872	9.0
401.29346	1.8
407.16650	3.0
428.13196	1.9
440.22815	2.6
443.85657	1.8
521.25964	35.8
521.33386	11.7
545.27179	2.2
551.28149	3.5
551.77594	2.5
563.21472	11.9
581.22437	75.6
581.35236	33.4
582.22614	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	581.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
59.71763	1.1
70.86427	3.3
71.01388	12.3
73.02975	2.0
75.00894	7.1
78.95897	1.7
83.01409	2.5
85.02971	1.8
87.00890	17.2
89.02431	1.3
92.81624	1.4
96.96015	3.4
96.96992	1.3
99.00876	9.3
101.02477	1.3
111.00892	3.6
113.02473	2.4
115.00380	100.0
123.04509	1.8
134.03731	7.9
135.69150	1.3
139.00398	3.3
140.07458	1.3
148.01765	1.5
148.05281	3.2
149.06139	7.5
157.01436	8.9
161.02422	2.6
162.03253	3.6
163.07591	2.7
174.01724	14.2
175.02489	71.3
175.03908	4.0
176.04605	1.2
177.05568	2.8
179.03328	1.4
187.04045	1.7
189.05583	2.8
190.02724	2.0
192.04318	3.4
194.47215	1.3
203.03479	1.5
204.04306	2.3
205.05048	2.4
206.05826	4.9
207.06598	11.9
217.05054	3.2
219.06670	7.1
221.08171	5.6
230.06046	1.5
231.03056	1.8
232.03683	1.8
237.07697	3.3
245.08150	1.7
246.05371	2.9
247.06093	8.4
248.06630	1.4
251.05585	5.5
265.07104	2.5
267.08847	2.3
277.05716	2.2
289.07120	3.5
291.05112	14.1
321.09885	18.8
323.07733	6.1
351.07187	2.1
365.08713	2.5
383.09747	1.7
399.12720	1.7
413.11011	6.3
445.13385	1.9
453.10300	3.0
483.15094	3.1
485.13022	37.6
486.12778	1.4
499.80386	1.2
527.14044	4.8
545.14972	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	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85921	0.5
55.91919	0.5
59.01112	1.0
59.01385	14.6
59.84298	0.6
61.98840	4.9
70.11290	1.3
70.11678	1.3
78.95899	6.1
97.95193	0.7
105.36254	0.5
109.49205	0.5
152.99577	0.7
153.10629	0.7
158.20557	0.6
168.04292	1.0
224.06793	0.9
242.07935	2.1
281.24866	100.0
282.25226	4.0
339.15628	0.7
495.67844	0.7
506.32513	30.0
507.32620	2.5
580.28461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.5
60.43464	3.5
70.12532	4.2
70.12863	17.5
71.01394	29.0
78.95934	9.7
83.01396	53.8
85.02955	10.6
88.98814	11.6
89.02429	21.4
92.92818	13.6
96.96011	21.0
96.96989	11.3
99.00877	24.6
101.02454	18.4
111.00890	12.5
113.02442	11.0
119.03503	8.2
124.98828	9.4
126.99495	8.5
127.00387	100.0
129.01959	12.5
145.01425	11.2
154.99814	5.4
157.01480	7.1
173.00972	21.7
179.05667	6.7
191.28482	3.8
203.84338	4.7
224.84225	3.6
305.77646	4.0
333.34448	4.2
335.06198	71.1
336.06958	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	579.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34056	12.1
59.01384	84.3
61.98834	100.0
64.21461	13.8
64.80966	14.8
68.99569	14.6
70.37151	27.2
70.37549	34.5
81.94176	14.3
88.14235	13.1
89.52278	14.7
96.96013	28.4
105.17721	13.1
186.89368	14.0
371.90262	15.4
472.76254	16.6
538.08875	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	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23943	0.5
59.01384	16.1
59.60821	0.6
61.98847	4.2
71.01389	10.8
72.99315	11.9
73.02957	3.7
81.97250	0.6
83.01424	0.7
85.02960	2.3
86.00082	1.0
87.00886	5.4
89.02459	8.3
93.03453	0.7
95.01440	0.6
98.19934	1.5
101.02457	5.7
103.01006	0.6
113.02483	1.4
123.58396	0.6
131.03520	13.8
149.04590	1.1
191.05630	8.0
205.19586	4.0
221.19109	0.8
223.20688	1.8
249.18604	20.8
250.18887	0.9
267.19666	9.5
269.21185	3.0
329.01050	0.7
333.16074	0.7
513.04913	0.7
572.26849	0.7
579.30249	100.0
580.30432	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	579.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00595	2.4
59.01385	42.1
60.99300	4.7
61.98816	4.4
67.01898	8.6
69.03448	2.3
71.01010	2.3
71.01388	34.0
71.55968	1.8
71.56342	1.9
73.02944	6.0
81.03424	1.8
83.04990	1.3
85.02966	9.0
87.00887	17.9
89.01941	2.0
89.02452	25.9
93.02868	2.8
93.03465	57.1
93.50593	1.2
95.01383	3.1
96.21583	1.3
96.96033	12.6
97.02985	1.5
99.00883	2.3
101.02460	15.6
109.02937	2.8
111.00859	1.9
111.04514	7.9
113.02467	8.4
116.92815	3.3
119.03445	3.8
123.00907	1.6
124.01697	14.0
125.02494	2.5
129.01909	1.9
131.03482	6.5
137.02478	11.6
139.04021	36.5
149.04581	11.0
151.00380	8.1
152.01149	2.7
155.03525	3.5
159.99637	1.4
160.05487	1.4
161.04570	2.2
163.03993	3.3
165.01924	10.8
166.02733	15.7
173.04550	25.9
178.99806	2.3
179.03799	1.5
179.05525	1.5
181.05074	17.5
181.12325	4.7
191.05615	20.3
193.01370	3.8
225.11324	9.4
269.04382	2.1
272.06833	2.0
287.09024	2.0
288.06375	2.9
303.08765	22.4
331.08218	56.5
387.10675	3.8
387.20181	1.8
399.16501	12.5
417.15530	28.6
418.15836	2.7
519.24310	23.4
579.22809	100.0
580.23022	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46009	1.0
52.55355	1.0
57.03444	3.1
59.01383	29.5
61.98835	14.6
69.03452	1.7
70.87622	2.4
71.01390	14.1
72.99317	1.6
73.02578	1.1
73.02946	7.6
75.00877	8.1
81.03491	1.1
83.01405	6.8
83.05041	1.9
85.02960	7.8
87.00886	5.3
89.02444	9.4
93.03465	4.4
95.01391	2.2
95.05079	1.5
96.96015	3.7
97.02956	1.4
99.00905	2.4
99.04526	1.8
101.02442	14.0
107.05038	3.8
108.02181	30.8
108.02920	1.8
109.02987	1.7
109.06591	1.4
111.00883	1.5
111.04527	1.4
113.02453	7.3
119.03501	1.7
120.05815	1.9
121.02924	1.5
122.03732	2.8
123.04527	15.5
123.08105	1.0
125.02434	2.6
131.03531	1.6
133.02956	2.2
134.03749	14.4
135.04523	2.2
136.01691	3.0
137.02440	3.3
149.04596	1.4
149.06076	10.0
151.00371	2.4
151.03973	7.0
152.01166	60.8
153.01987	1.3
153.05568	1.3
161.02432	1.3
161.04608	2.0
161.09764	7.0
161.13345	2.6
161.85509	1.1
163.11307	1.6
164.01129	1.6
165.05554	1.0
167.03506	100.0
173.04504	4.5
177.01997	1.6
178.02692	7.3
179.10844	1.4
181.08722	1.3
187.11308	7.4
189.09244	6.0
191.05615	13.7
192.06000	1.2
193.05063	16.5
203.07271	1.7
203.10782	2.5
205.12335	4.3
207.05096	1.8
207.10181	2.4
223.09621	1.1
223.13402	4.2
231.10201	3.0
249.11327	4.6
263.09033	1.5
267.12344	3.9
273.11218	1.3
291.12411	2.8
301.07126	9.9
329.08826	1.5
331.08383	1.3
333.13647	1.2
385.14767	2.4
405.15292	1.8
411.16757	13.7
447.25903	4.0
467.57211	1.3
507.68787	1.3
519.24292	2.4
519.31323	1.5
535.22009	4.2
543.31415	2.0
561.31744	1.0
579.20740	27.2
579.32849	22.8
580.20923	2.1
580.34003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01371	2.3
61.79507	0.5
63.27637	0.5
65.11259	0.6
71.01389	2.5
75.00863	3.4
85.02946	2.1
89.02372	0.6
93.03487	0.9
94.62921	0.5
95.01391	0.7
95.20426	0.6
96.96012	1.0
98.19859	1.2
101.02449	1.5
109.02946	2.2
111.67127	0.6
121.02977	0.7
123.00877	2.2
125.02431	0.9
129.51918	0.5
135.04480	0.9
137.02446	8.9
139.04056	0.7
149.02455	1.4
151.00383	17.1
152.01077	1.6
152.04761	2.8
159.04494	0.8
161.04538	0.8
165.01990	0.8
166.02722	54.3
167.03499	2.9
167.81348	0.6
173.04550	0.9
175.04102	1.1
177.01920	2.6
179.03548	1.0
180.04057	0.8
181.05080	68.2
182.05460	1.2
184.03697	0.6
189.05536	0.9
190.06371	0.8
191.03557	1.4
191.05519	0.8
192.04213	1.0
193.05098	1.3
205.05005	0.6
205.08583	0.7
207.06555	1.1
217.05061	0.6
344.09491	0.7
359.11557	2.0
387.10852	13.0
388.11188	1.2
390.33350	0.6
402.13159	7.6
403.56149	0.6
417.15558	100.0
418.15906	5.7
579.30804	0.9
585.13751	0.6
592.59729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43688	0.4
57.03439	1.0
59.01107	0.6
59.01387	7.8
61.98834	3.4
63.02396	2.8
65.00326	6.2
68.45000	0.4
69.03487	0.6
69.66795	2.8
71.01385	6.4
72.99307	0.9
73.02946	1.3
75.46755	0.4
78.95906	0.9
81.03460	0.7
83.01397	4.8
85.02964	3.2
87.00899	1.9
87.04523	0.5
89.02462	4.7
93.03453	0.9
96.96023	5.1
98.19938	0.8
99.00885	0.6
99.81831	0.4
101.02443	3.9
106.91041	0.4
107.01396	11.9
108.02192	5.7
109.02917	0.5
111.00876	0.7
113.02436	1.1
119.03514	0.8
119.04975	0.5
123.00835	0.5
123.04542	4.9
124.01643	0.5
125.02460	2.0
125.06119	0.4
131.01349	0.5
131.03476	0.8
133.05078	4.8
134.03757	15.3
135.04498	1.7
136.01646	2.5
137.02382	0.7
149.04407	0.6
149.04648	0.6
149.06090	12.5
151.00383	38.3
152.01198	3.3
158.03700	0.5
159.04321	0.4
161.02470	0.5
161.04564	0.6
163.11234	0.4
164.01166	4.9
165.01958	2.1
167.03497	5.7
169.01393	1.2
173.04575	2.8
173.05846	0.4
174.03172	0.7
174.16562	0.4
175.00359	1.7
177.01917	5.0
179.88934	0.4
191.05629	4.3
193.01376	0.7
196.00156	2.8
199.03981	1.2
200.05042	0.5
201.01901	1.2
207.05002	0.5
217.04984	0.5
242.05698	0.8
243.12344	0.6
257.08261	1.2
273.07755	0.9
285.03812	0.5
286.04779	1.8
300.06375	0.6
301.07184	100.0
302.07550	3.8
312.69788	0.5
325.07184	4.0
343.08270	1.7
358.96786	0.4
379.12271	0.5
411.16437	0.6
417.17624	1.6
417.23987	0.5
445.11484	5.2
447.25436	0.5
454.82327	0.4
463.12506	9.7
519.24768	1.4
535.14618	4.3
535.21893	0.8
541.29718	0.6
543.31433	0.8
579.16663	5.3
579.34235	9.7
580.18567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.75967	1.1
71.90262	0.3
98.20663	0.3
167.76233	0.3
191.05569	0.4
213.23653	0.3
270.21536	0.3
301.89349	0.2
353.09061	0.3
384.74188	0.3
403.21497	0.2
535.27319	0.3
578.13953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81784	0.2
59.01383	14.4
61.98831	1.6
62.77304	0.2
69.61230	0.2
70.96693	0.4
71.01394	0.4
78.95913	5.8
78.98605	0.3
79.95750	0.5
80.96524	4.1
82.96118	0.2
85.02981	0.2
87.00847	0.2
94.98105	0.7
96.96064	0.4
101.02455	0.4
101.77593	0.2
106.43958	0.2
121.03017	0.2
122.97581	0.4
134.97574	0.2
148.99161	0.5
152.99640	1.2
164.98622	0.6
168.04329	1.3
190.32045	0.2
191.23282	0.2
224.06985	1.3
225.00748	0.6
226.01038	0.3
242.08031	2.8
261.21951	0.2
279.23294	100.0
280.23642	4.6
482.92636	0.2
504.30984	30.2
505.31396	2.1
554.49695	0.2
578.27173	6.7
578.36511	0.4
579.26959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45042	0.5
53.78872	0.5
59.01385	20.6
61.98836	3.6
69.96130	1.2
69.96524	0.9
78.95909	22.1
80.96535	0.8
87.50880	0.5
96.96059	0.6
98.19904	1.0
110.26990	0.5
113.14803	0.5
152.99609	3.3
159.69366	0.5
168.04298	4.1
224.06947	9.4
242.08006	2.4
259.34576	0.6
279.23303	100.0
280.23669	3.6
299.54419	0.6
399.85022	0.6
504.30994	68.2
505.31332	4.6
577.78156	0.7
578.27051	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	578.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01384	43.7
61.98843	20.8
62.46512	2.9
63.65710	2.8
67.19753	2.6
67.31355	2.7
71.01389	37.6
71.55431	4.0
72.99315	8.1
73.02962	8.0
75.00886	18.7
75.74673	2.4
76.43500	3.3
83.01382	3.7
85.02961	17.8
87.00877	4.1
89.02463	18.4
93.03472	17.0
96.95995	7.2
99.00887	3.3
101.02463	23.3
109.02952	3.8
111.04504	3.7
113.02464	13.9
119.03503	6.0
125.02401	3.8
135.04547	44.2
137.02486	13.8
143.03487	3.1
149.04492	3.2
151.00348	14.1
152.01173	3.2
161.02493	6.1
161.04555	4.5
166.02745	53.5
167.03488	4.1
173.04576	63.4
178.99875	4.4
179.02078	5.1
179.03526	55.3
180.04059	2.7
181.05089	61.2
191.05653	37.1
203.03606	3.8
208.03786	3.8
223.06091	7.0
317.06778	3.9
330.41989	3.3
336.31534	3.0
353.08789	72.3
369.95123	3.4
387.11096	14.7
402.13028	5.9
417.15573	100.0
494.36191	3.1
515.11975	17.9
535.27417	9.1
536.27924	8.3
577.29041	3.7
578.16290	3.9
579.28992	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36806	0.2
55.01884	1.2
56.47249	0.2
57.03448	1.3
58.00613	0.7
59.01385	100.0
60.01715	0.5
68.39101	0.2
69.03452	0.4
69.37290	1.8
71.01388	16.5
72.99317	0.6
73.02953	3.8
73.03849	0.3
78.95919	0.3
79.95801	0.3
81.03495	0.3
83.01381	2.0
85.02956	7.2
85.03465	0.4
85.32774	0.3
86.00114	0.3
87.00886	0.6
89.02457	5.7
90.82394	0.2
93.03516	0.3
95.01397	1.4
96.96011	1.4
96.96983	0.3
97.02959	0.5
99.00864	1.6
101.02454	9.9
111.00928	0.3
112.01752	0.4
113.02466	7.6
119.03552	0.9
125.02513	1.2
131.03529	1.0
143.03534	1.2
149.04579	2.0
153.09247	0.4
159.03044	1.2
161.04568	5.1
173.04527	0.5
179.05728	0.8
191.05692	0.9
205.12486	0.4
223.13474	0.6
293.09039	1.1
303.51694	0.3
355.21426	0.9
373.22583	1.0
412.56439	0.3
469.25339	0.3
517.26569	19.6
518.27380	1.2
535.27667	7.3
536.27985	0.4
577.28876	0.6
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
53.49623	2.1
57.03448	3.2
59.01386	37.7
61.98837	4.6
70.16977	4.1
70.17384	7.2
71.01384	20.1
73.02934	4.8
83.05022	3.3
85.02950	7.2
87.00883	4.4
89.02454	8.5
93.03454	5.2
94.43639	2.3
96.95988	3.0
98.20612	3.6
99.08201	2.4
101.02469	13.3
113.02450	7.8
117.81506	2.6
125.09689	4.2
135.04471	2.5
161.02469	2.6
171.10246	10.2
173.04520	2.9
181.05009	2.5
183.13918	3.3
191.05617	9.9
191.80988	2.4
209.11917	2.5
211.13411	18.4
229.14453	45.9
233.06700	2.7
242.02490	3.8
245.62845	2.3
270.01611	3.0
283.21930	2.4
293.21399	4.6
311.22150	3.4
329.23315	17.5
341.23279	4.3
351.00095	2.1
373.18643	2.8
391.19897	4.6
391.76218	2.3
473.27728	9.1
491.28525	14.0
517.26740	18.1
533.29700	100.0
534.30023	8.2
577.15710	5.8
577.25073	4.5
577.32410	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59130	0.6
51.58655	0.5
59.01374	2.4
61.98838	12.0
63.96266	0.6
70.02457	1.2
70.02872	2.3
71.01392	6.0
73.02948	1.6
78.95898	1.1
78.98605	5.3
79.95749	9.2
79.97839	0.7
80.96526	66.1
81.03439	0.7
82.95414	1.0
83.01326	0.7
85.02972	2.1
87.00882	2.6
94.98096	13.4
96.96035	3.6
97.02956	1.3
101.02448	2.7
106.98095	3.2
122.97601	4.8
125.02443	3.3
127.03999	0.8
134.97591	3.8
136.99144	1.8
143.48428	0.6
146.97479	0.7
148.99182	6.0
152.98630	6.3
164.98639	10.5
182.99709	2.5
206.99689	3.0
225.00754	15.8
243.01703	1.7
269.42578	0.6
277.21722	1.9
279.23318	2.1
299.04465	2.0
363.64294	0.7
379.28632	1.3
380.28754	4.2
392.74170	0.7
433.22488	0.6
488.21677	0.6
577.26904	100.0
578.27087	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	577.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03438	4.0
58.00598	3.0
59.01385	100.0
61.98836	2.6
69.03462	3.9
71.01385	48.3
71.57192	1.7
72.99305	4.7
73.02957	8.4
75.00882	28.7
83.01402	4.6
85.02964	12.2
87.00885	7.1
87.01344	1.1
89.02454	47.7
93.03447	2.4
95.01384	2.3
96.96019	2.5
97.02962	4.6
99.00877	3.5
101.02452	27.4
111.00887	3.2
111.99873	1.1
113.02487	11.8
119.03523	4.0
120.99660	2.6
123.94782	1.3
125.02440	7.6
127.04070	1.1
131.03503	20.7
135.04533	5.0
141.01918	1.4
143.03496	2.4
145.05162	1.2
149.04572	26.7
161.02386	1.6
161.04567	3.5
163.03972	1.3
163.11301	3.0
165.09167	1.4
173.04594	2.6
179.03479	5.2
181.12370	11.6
187.11337	6.5
191.05640	20.8
193.04976	2.0
205.12332	7.5
207.05142	1.3
293.08850	7.4
353.08914	7.2
367.17731	1.7
373.12997	2.5
373.22015	1.9
392.53690	1.2
415.23233	1.6
499.21954	10.6
517.26202	13.5
535.27570	8.4
577.19269	1.6
577.28394	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	577.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79710	0.7
57.03447	2.1
58.00590	0.9
59.01382	26.4
60.99291	1.0
61.98843	0.7
67.01900	6.1
69.03449	1.9
69.73093	3.5
71.01382	21.8
72.99323	1.2
73.02950	2.3
78.95897	3.1
79.95762	1.4
81.03466	2.2
83.01387	1.1
83.05031	1.3
85.02953	9.9
87.00872	3.8
88.98818	0.8
89.01993	0.5
89.02449	19.3
93.03463	39.6
95.01402	1.1
96.96016	41.8
96.96931	4.9
97.02994	0.6
99.00855	0.9
99.04526	1.6
99.27280	0.7
101.02450	12.0
108.76904	0.6
109.02954	2.0
111.00907	0.7
111.04527	7.7
113.02455	6.6
119.03512	6.5
125.02476	1.8
127.04038	1.7
131.03488	3.9
135.11800	1.9
137.02461	6.1
143.03534	1.6
149.04576	7.6
155.03500	5.8
161.04572	2.6
173.04553	100.0
174.04918	1.4
179.05618	4.9
179.10793	15.1
191.05615	46.4
191.47598	0.6
192.05956	1.4
223.06343	1.1
223.09761	21.5
269.10391	1.1
275.76794	0.6
353.15771	0.6
359.17111	1.4
397.14978	7.6
403.16049	24.7
404.16251	0.8
415.16122	3.3
502.74173	0.6
577.21399	54.4
578.21356	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	577.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28815	1.1
55.01884	1.1
57.03432	1.7
58.00603	2.6
59.01384	62.8
61.72179	1.2
61.98824	2.7
65.83852	1.2
67.01906	1.4
69.63828	5.4
71.01388	41.0
72.99310	4.8
73.02944	2.6
78.95915	7.4
81.03458	1.7
83.01379	2.3
83.05031	3.1
85.02951	12.1
87.00874	3.9
88.98820	3.9
89.02451	42.1
93.03465	15.3
95.01397	2.4
96.96017	28.8
96.96948	10.2
98.20714	2.0
99.00902	1.6
99.04517	4.4
99.92650	1.1
101.02455	21.5
111.04540	12.2
113.02470	15.0
116.92876	17.9
119.03519	15.9
121.02886	1.1
127.04037	1.4
129.01958	1.3
131.03537	3.4
133.10211	1.2
134.44485	1.3
135.04503	1.4
135.11836	5.2
137.02440	2.1
143.03510	4.5
149.04585	5.6
155.03531	8.7
161.04597	3.7
161.09702	3.2
173.04558	36.3
178.42702	1.1
179.05618	14.7
179.10777	53.0
180.11157	1.4
183.08113	1.1
191.05627	48.0
192.06142	1.4
197.04526	2.9
223.09778	62.6
224.10077	2.5
296.67361	1.2
302.74216	1.2
359.16998	3.9
397.14987	6.6
403.10870	2.2
403.16092	42.7
404.16403	1.5
461.08414	1.2
564.10907	1.4
577.21423	100.0
578.21503	7.6
589.54980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1934
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03465	2.5
58.00595	0.7
59.01388	22.3
61.98841	2.5
67.01892	3.4
69.03452	1.6
71.01390	10.3
71.05018	0.5
72.01763	0.4
72.99319	0.9
73.02936	3.0
78.95914	37.1
80.24109	0.5
81.03463	0.9
83.01391	1.7
83.05036	1.8
85.02954	5.1
87.00881	1.3
89.02463	3.2
93.03470	23.4
95.01429	0.7
96.96043	3.7
96.96972	18.7
97.06617	0.5
98.20708	0.7
99.00869	1.2
99.04536	1.1
101.02460	5.5
109.02966	1.1
111.00877	0.9
111.04559	6.0
113.02468	2.3
114.02695	0.6
119.03512	0.9
125.02441	0.5
127.04020	0.8
131.03511	2.0
133.02957	1.0
135.04544	1.7
137.02455	5.1
137.09746	0.7
138.98026	4.1
146.63017	0.4
151.00432	1.0
152.01151	0.6
153.60265	0.5
155.03510	5.5
155.32091	0.5
161.02466	1.8
161.04573	1.4
170.19328	0.4
173.04564	100.0
174.04924	1.7
179.03531	1.2
180.99107	0.5
181.08762	1.7
190.31633	0.5
191.05623	10.8
197.11847	7.6
215.07138	0.6
223.00145	0.9
225.09311	0.7
229.08757	0.8
241.01244	10.3
241.10834	8.0
242.01625	1.4
253.08623	0.6
254.09511	1.2
271.06256	0.9
283.13312	2.5
309.14990	0.9
321.71030	0.4
327.16034	5.0
353.06744	0.9
353.13715	0.6
371.15103	0.7
385.16431	0.5
415.16138	66.3
416.16397	3.3
422.20227	1.6
422.70276	2.1
495.23276	3.9
495.73273	18.0
496.23578	6.5
496.73788	1.1
517.26300	1.1
539.34576	1.0
545.20184	1.0
559.14850	0.9
576.75745	7.3
577.19696	2.5
577.26990	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64353	0.5
57.03448	2.8
58.00595	1.1
59.01385	31.5
59.13379	0.5
60.01715	0.5
60.99311	1.0
61.98834	2.8
62.96408	0.6
63.68592	0.5
67.01890	3.9
68.34016	0.5
69.03453	1.3
69.22204	0.6
69.22490	5.7
71.01386	13.3
71.01783	0.8
72.01723	0.8
72.99331	1.6
73.02952	5.4
74.99737	0.5
78.95911	88.3
79.95775	0.6
80.96339	0.7
81.03467	1.0
83.01402	2.4
83.05025	1.1
85.02958	9.2
85.87914	0.6
86.00095	0.9
87.00885	2.8
89.02450	4.7
93.03466	25.6
96.96054	5.3
96.96970	42.2
97.06564	0.7
99.00899	1.5
99.04545	1.0
100.85632	0.5
101.02448	11.0
102.02789	0.8
103.52856	0.5
109.02950	1.1
111.00897	1.2
111.04537	4.5
111.25909	0.6
113.02453	3.4
114.02738	1.0
119.03530	1.2
131.03522	2.6
132.03891	0.6
133.02968	1.2
135.04501	1.0
137.02444	6.1
137.09738	0.9
138.98038	8.9
149.04645	1.0
149.05957	0.6
150.98090	0.6
151.00420	1.1
155.03522	5.3
161.02472	3.3
161.04568	1.9
162.98027	1.3
173.04558	100.0
174.04857	1.1
175.78940	0.5
179.03444	1.3
179.10844	0.9
180.99147	0.9
181.08682	2.4
191.05629	11.0
197.11824	6.8
215.07310	0.7
223.00102	2.1
226.83150	0.5
237.75082	0.6
240.98759	1.3
241.01199	24.5
241.10805	8.1
242.01480	3.5
254.09470	1.1
283.13422	1.6
324.22803	0.6
327.16058	4.9
353.06699	1.6
371.14896	1.0
395.63080	0.7
397.14972	0.7
415.16129	64.2
416.16229	3.0
422.20111	2.7
422.70300	4.3
495.22964	10.5
495.73230	41.0
496.23322	10.4
496.73468	1.7
503.72888	0.9
517.25586	1.2
539.34308	2.0
545.20288	1.0
546.77948	0.7
559.15198	1.2
576.25409	1.6
576.75830	20.4
577.18134	1.7
577.25787	7.3
577.75989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76195	0.2
59.01382	0.9
59.63324	0.2
61.98835	100.0
69.33027	2.1
71.01405	0.3
80.96544	1.4
98.19930	0.4
144.77515	0.3
149.72987	0.2
188.78230	0.3
225.00662	0.5
277.21848	0.7
278.22131	1.3
279.22528	0.6
280.22739	0.4
319.68524	0.2
331.00781	0.3
383.71948	0.3
504.95416	0.3
528.97247	0.3
577.26953	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19395	0.6
58.80734	0.5
59.01389	0.8
61.98838	100.0
69.22034	0.5
69.38314	4.0
80.96522	0.9
96.96037	1.4
114.41164	0.5
122.99857	0.5
130.61104	0.5
225.14365	0.5
228.52313	0.6
577.27191	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14658	0.6
59.01385	25.3
61.98834	4.6
62.22197	0.5
71.11162	1.3
73.76907	0.5
78.95909	24.2
92.71593	0.6
93.38709	0.6
93.90866	0.5
96.96014	2.8
118.90010	0.7
152.99637	3.0
168.04283	2.8
200.11929	0.6
224.06952	10.0
242.08047	2.5
275.19867	0.7
277.21735	100.0
278.22086	4.2
305.91953	0.6
402.95560	0.6
413.21484	0.7
502.29428	75.4
503.29852	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45711	0.3
53.28721	0.3
59.01385	18.2
61.98830	1.2
69.98209	0.5
69.98607	1.0
78.95486	0.5
78.95912	6.3
79.71660	0.3
82.50644	0.3
96.96023	0.8
102.71928	0.3
116.65467	0.3
133.45534	0.3
152.99614	1.3
168.04254	1.6
181.14516	0.3
191.05672	0.4
224.06892	1.0
242.08031	2.9
259.20505	0.5
275.20328	0.5
277.21732	100.0
278.22064	4.3
309.07996	0.4
420.63693	0.4
502.29431	32.3
503.29810	1.3
576.25488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.8
61.98841	1.3
71.01388	3.2
72.03092	0.7
73.02969	0.8
73.04556	0.8
82.22366	0.7
85.02984	0.9
89.02448	2.3
96.96003	1.0
101.02442	3.1
101.95216	0.8
104.25655	0.7
105.15448	0.7
113.02480	1.1
115.78094	0.8
125.02521	0.8
132.64146	0.7
174.70297	0.6
191.35648	0.9
235.08215	1.5
246.41985	0.8
253.09320	12.2
269.36658	0.8
279.23312	100.0
280.23645	4.2
379.71765	0.9
433.14795	0.8
445.01462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	32.9
67.10435	21.4
70.04752	100.0
87.16563	20.2
88.86819	18.9
94.03831	19.4
112.34344	18.8
113.83711	21.4
116.15977	22.9
157.78159	21.7
220.44795	24.9
268.17740	25.9
301.42731	20.9
424.31778	20.1
476.17508	21.9
476.24448	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	576.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02922	0.6
56.78925	0.5
59.01380	8.1
61.98836	100.0
69.35117	4.7
69.38795	0.6
71.01395	3.7
73.02959	1.1
83.01423	0.7
85.02954	1.7
89.02467	2.5
92.56662	0.5
101.02477	2.3
102.02810	0.8
113.02467	1.3
118.32166	0.5
131.03519	1.2
149.04625	0.6
161.04579	0.6
233.06479	0.6
322.64270	0.6
384.24924	1.7
402.11206	0.8
515.28772	2.1
516.28943	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	575.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03429	1.4
59.01383	40.0
60.62450	1.0
61.98540	1.8
61.98838	26.9
62.22440	1.1
70.00099	3.3
71.01016	2.0
71.01389	32.4
72.99314	2.6
73.02957	11.1
75.93019	1.1
83.01372	7.3
84.57724	1.2
85.02955	12.8
87.00888	1.4
89.02449	17.9
96.96004	1.8
99.00877	3.3
101.02454	25.1
105.53073	1.2
105.57390	1.1
106.13258	1.2
111.00871	3.1
113.02467	11.5
115.04044	1.4
125.02442	2.4
127.73930	1.2
131.03525	8.0
135.04488	1.4
149.04543	2.8
159.02974	1.5
161.04581	6.8
173.04654	1.2
191.05605	1.5
210.12247	1.2
233.06714	1.4
375.21234	2.3
383.24399	21.5
396.61676	1.2
417.91016	1.2
450.23965	1.2
515.28601	100.0
516.28857	6.2
575.33789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03429	1.4
59.01383	40.0
60.62450	1.0
61.98540	1.8
61.98838	26.9
62.22440	1.1
70.00099	3.3
71.01016	2.0
71.01389	32.4
72.99314	2.6
73.02957	11.1
75.93019	1.1
83.01372	7.3
84.57724	1.2
85.02955	12.8
87.00888	1.4
89.02449	17.9
96.96004	1.8
99.00877	3.3
101.02454	25.1
105.53073	1.2
105.57390	1.1
106.13258	1.2
111.00871	3.1
113.02467	11.5
115.04044	1.4
125.02442	2.4
127.73930	1.2
131.03525	8.0
135.04488	1.4
149.04543	2.8
159.02974	1.5
161.04581	6.8
173.04654	1.2
191.05605	1.5
210.12247	1.2
233.06714	1.4
375.21234	2.3
383.24399	21.5
396.61676	1.2
417.91016	1.2
450.23965	1.2
515.28601	100.0
516.28857	6.2
575.33789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76763	0.3
57.69020	0.3
59.01384	1.9
63.81177	0.3
71.01395	0.8
71.56743	0.6
72.99306	0.4
78.95914	27.6
79.95755	3.1
82.02263	0.3
84.14285	0.3
85.02945	0.8
87.00878	0.3
93.03452	0.5
96.96017	100.0
96.96967	45.2
101.02469	0.3
113.02459	0.6
146.80591	0.4
161.04555	0.4
165.09180	1.3
168.33528	0.3
173.04520	0.8
191.05669	1.6
213.39043	0.4
244.99875	0.3
309.13550	1.4
327.14502	1.0
331.08371	0.5
365.18225	1.0
369.15344	1.3
575.22119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.8
59.01388	68.2
64.01033	3.5
65.74229	3.2
71.01382	31.6
71.56580	3.5
72.99288	4.7
73.02943	4.6
78.95922	10.3
83.01407	4.6
85.02956	17.4
88.98808	4.2
89.02434	5.8
93.03459	5.4
95.01418	4.1
96.96021	65.8
96.96975	14.6
99.23477	3.1
101.02436	21.0
112.01650	5.8
113.02468	16.6
137.12888	3.6
161.04559	3.5
165.09219	75.5
173.04596	4.7
176.39842	3.3
191.05646	17.6
279.12646	4.0
306.23303	3.6
309.13458	100.0
310.13696	7.9
327.14487	96.3
369.15558	83.8
370.15872	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	575.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95675	0.4
57.03444	0.5
59.01383	16.7
60.01744	0.5
60.84341	0.4
61.98834	1.4
69.52798	3.3
71.01392	4.1
71.05032	0.5
72.99285	0.5
73.02968	1.2
78.95918	0.9
79.95753	4.0
83.01381	0.5
85.02956	1.4
88.41489	0.5
89.02444	2.7
95.01374	0.5
96.96022	100.0
98.19859	0.8
101.02455	3.3
113.02467	2.0
117.24903	0.4
124.53635	0.4
151.00406	0.5
153.14240	0.5
161.04533	0.7
163.06108	0.7
173.04520	0.8
180.89037	0.5
191.05649	1.4
227.88403	0.5
243.03140	0.5
281.13831	0.5
314.04352	0.6
382.22006	0.5
418.72626	0.5
463.24573	3.1
463.74677	1.9
464.24841	1.1
477.10284	2.5
544.27094	0.7
544.77539	1.4
545.26385	0.6
574.30267	0.6
575.31531	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	574.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45856	0.2
59.01384	3.8
61.98835	100.0
63.96553	0.2
71.01393	0.5
89.02455	0.3
98.20658	0.8
101.02498	0.2
104.44832	0.2
113.02473	0.3
178.04492	0.2
181.93333	0.2
360.21051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46725	0.3
59.01390	2.7
66.16428	0.3
71.01400	0.3
71.55243	0.4
78.95913	42.3
93.03448	0.6
96.95978	2.7
96.96972	100.0
160.01082	0.3
173.04515	1.2
188.94067	0.3
191.05582	0.6
214.89229	10.0
232.90266	28.5
233.06706	1.9
439.08752	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	575.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45015	0.6
59.01380	3.6
59.50105	0.6
61.98832	1.5
66.82030	0.6
71.01385	2.0
71.54546	1.0
72.99310	1.7
75.86520	0.7
78.95903	3.0
79.95731	2.1
81.95325	2.2
89.02444	1.4
91.93032	0.7
94.20708	0.7
96.96022	100.0
96.97012	3.1
97.95947	2.9
98.95605	70.1
98.96437	12.0
99.92595	48.4
100.92751	0.8
100.93371	3.5
101.02428	0.9
109.02945	0.8
115.92091	43.0
116.92873	42.7
117.93648	0.8
121.02953	2.6
125.02602	0.8
134.03775	1.6
135.04538	16.0
137.06111	3.9
138.06396	0.9
141.93666	2.6
149.02528	1.8
156.92288	0.7
166.38235	0.7
169.93129	2.2
171.94664	1.2
179.03578	1.0
181.05067	11.9
182.05405	3.2
183.05579	1.5
191.05623	1.7
191.07227	0.7
198.93419	1.9
204.95956	1.0
206.97603	0.8
209.04565	1.0
212.95030	0.7
216.95959	1.9
217.96790	13.6
218.97534	12.3
219.94786	0.8
219.98212	1.6
220.95525	2.5
222.64925	0.7
226.96492	1.0
229.95262	2.3
232.95491	2.2
233.96346	3.8
234.97043	2.4
235.97693	1.0
237.95645	0.8
246.97096	3.5
250.96582	0.9
261.95801	2.3
262.96542	3.6
263.97327	5.1
264.98123	5.0
271.97784	1.6
274.96695	1.3
284.41650	0.7
292.97556	3.4
346.01608	2.2
356.99368	1.1
360.16312	0.8
376.01236	1.8
379.01364	0.9
392.01996	1.8
395.13745	0.9
407.00742	1.0
409.02316	15.2
436.30365	1.0
465.01743	1.1
475.14612	1.2
476.15228	1.2
477.15073	6.8
491.03107	1.8
495.06024	2.3
509.04251	1.1
539.04993	23.0
540.05084	2.3
575.07135	39.5
576.07111	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2324
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
55.72730	2.1
57.03456	2.0
58.98779	1.7
59.01395	10.2
61.98837	2.0
64.75702	1.9
71.01389	5.3
71.36187	4.2
78.95908	3.3
84.95120	2.6
87.00881	2.7
89.02461	6.7
93.03490	2.6
96.96028	17.6
96.96985	4.7
100.19834	2.2
101.02469	5.2
103.59924	1.9
105.72012	2.1
113.02472	2.0
119.03516	2.3
125.02427	2.2
131.03552	2.1
146.00545	2.1
149.04602	5.8
185.27417	2.1
191.05611	6.5
208.08177	1.8
211.31773	2.2
230.96509	1.8
244.38487	1.9
270.93683	2.4
305.60938	2.0
340.07666	2.2
346.44052	2.1
516.68646	1.9
537.25818	14.4
573.23297	100.0
574.23755	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	573.2919
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
54.32743	1.1
55.01891	2.0
58.00615	1.8
59.01386	45.4
63.52197	1.3
70.43527	1.2
71.01390	40.5
72.99316	2.2
73.02953	9.3
83.01378	3.8
85.02952	12.7
89.02451	24.4
91.31355	1.3
95.01422	1.8
97.02950	1.9
99.00893	3.3
100.75256	1.3
101.02453	26.8
111.00887	3.5
113.02466	11.8
118.83536	1.2
119.03541	1.2
124.14481	1.2
125.02444	3.8
131.03510	9.4
146.53542	1.3
149.04538	11.7
149.42036	1.1
159.03041	1.7
161.04541	8.4
174.63950	1.3
174.65714	1.1
191.05606	2.0
223.99350	1.2
233.06720	2.9
293.08838	1.8
381.22717	13.0
500.71582	1.4
505.82773	1.5
513.27069	100.0
514.27350	6.2
520.14142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48796	0.7
59.01374	2.7
61.98846	0.8
62.05396	0.6
71.01373	0.8
71.56755	0.7
78.95911	3.4
79.95750	1.6
83.01384	2.4
89.02460	1.3
89.62348	0.6
96.96025	100.0
96.96905	3.4
98.95612	2.1
99.00904	1.0
108.02158	0.8
110.97963	0.6
111.00891	0.7
115.00386	1.3
116.92886	1.0
121.02985	0.8
131.05029	1.4
134.03824	1.3
135.04568	1.3
137.06091	4.2
139.00380	1.0
148.05324	9.9
161.02501	1.5
162.03232	1.5
163.07700	3.7
174.03267	1.0
175.04027	1.9
177.05620	4.1
181.05115	10.9
191.05627	1.5
192.04393	0.9
204.04330	0.9
207.06636	6.1
217.05135	1.4
219.06721	1.4
223.06274	1.0
245.08293	2.2
247.06149	1.4
251.05627	13.2
291.05185	2.9
305.06741	0.8
318.07962	0.7
333.06235	5.9
351.07346	2.7
391.27792	0.7
413.10992	4.7
475.14627	12.5
495.11624	2.8
573.22186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07247	0.2
53.18167	0.2
59.01381	1.5
61.63435	0.2
69.31340	0.6
69.31765	1.5
71.01414	0.3
78.95921	2.1
79.95741	2.4
89.02464	0.3
94.87054	0.2
96.96019	100.0
98.20588	0.5
109.02941	0.7
109.06610	0.4
118.43643	0.2
119.05036	0.6
121.02979	0.8
135.04549	0.5
137.06097	4.4
181.05077	11.3
182.05444	0.3
182.57077	0.2
185.00140	0.2
237.00667	0.3
250.98766	0.2
279.01898	1.3
305.88220	0.2
475.14597	10.7
476.15076	0.4
538.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69149	0.2
59.01385	0.3
61.98837	100.0
70.56514	0.5
74.06010	0.2
78.95909	0.2
106.93272	0.2
127.78601	0.2
162.25247	0.2
283.51248	0.2
302.48788	0.2
423.03470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
59.35900	0.2
61.98820	0.3
67.46572	0.3
71.01347	0.3
71.55952	0.3
74.45081	0.3
78.95906	2.5
79.95743	2.3
84.95135	0.6
89.02462	0.6
91.40884	0.3
96.96021	100.0
97.95904	0.3
109.02964	0.9
109.06578	0.4
111.00858	0.4
119.05052	0.6
121.02947	0.9
127.59654	0.3
135.04526	0.8
137.06088	3.5
176.04776	0.4
181.05090	10.5
191.05626	0.4
245.07895	0.3
279.01932	0.8
331.15289	0.3
475.14569	9.1
476.14969	0.8
480.52527	0.3
513.09290	0.4
573.23700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60959	0.2
59.01383	1.4
61.98834	100.0
66.17097	0.2
69.21698	2.3
71.01395	0.9
73.02951	0.3
75.97728	0.2
82.47305	0.2
83.01398	0.3
85.02989	0.4
86.03287	0.3
89.02467	0.6
96.96027	0.3
98.20752	0.4
101.02448	0.5
103.02917	0.2
113.02493	0.2
125.73571	0.2
131.03491	0.3
144.56963	0.2
145.98424	0.3
173.04588	0.3
175.46732	0.2
191.05676	0.3
210.97231	0.2
285.69388	0.2
351.46533	0.2
377.24234	0.3
378.24634	0.4
508.28613	0.3
509.28976	0.8
510.29062	3.3
570.22156	0.3
594.88617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.64344	1.3
52.27392	1.2
59.01371	1.6
60.80936	1.4
61.98831	2.7
71.08828	3.0
74.33181	1.3
78.95911	58.8
96.96962	14.5
122.96208	1.4
128.65320	1.2
152.99599	61.1
154.98961	1.3
191.42070	1.3
223.00172	2.3
239.08276	1.3
241.01201	30.5
255.23326	70.2
256.23575	3.1
315.04776	9.5
387.33875	1.4
391.22574	5.8
451.38867	1.7
571.28918	100.0
571.37152	4.7
572.29077	6.7
598.89557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.6
59.01381	2.6
61.98837	8.7
63.28043	1.9
66.49725	1.4
71.12757	2.4
78.95905	1.8
96.96017	4.7
96.96976	3.4
99.92608	2.4
115.92084	5.8
125.09779	2.1
129.12920	1.4
153.63661	1.3
207.17531	12.8
221.19107	18.4
239.20103	3.7
251.16609	8.4
265.18054	11.9
269.17621	15.9
283.19226	15.0
287.18781	3.7
301.20251	23.0
571.28857	4.4
571.38556	100.0
572.38800	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	570.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01387	0.3
74.46436	0.3
78.95898	0.5
96.96027	0.5
99.00902	1.0
122.98520	0.4
131.91698	0.4
174.68883	0.4
265.07504	0.4
273.64380	0.4
352.53625	0.3
441.34030	0.4
470.34286	0.7
471.35144	0.7
497.12378	0.4
570.36566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28870	3.7
57.42485	4.0
59.01107	7.2
59.01384	100.0
60.01704	7.8
61.01817	7.7
61.98835	88.1
71.01384	47.2
71.35580	4.4
72.99300	5.3
73.02958	13.8
73.19997	4.4
83.01328	4.8
85.02979	17.9
87.00900	5.0
88.98801	15.4
89.02458	25.6
96.96041	8.0
97.06583	5.2
98.20780	9.6
99.00868	6.0
99.04522	5.3
100.82061	4.5
101.02473	23.8
111.04446	5.1
113.02454	8.5
113.23164	4.1
113.43562	4.8
125.02457	10.8
131.03490	6.4
135.04553	6.3
137.02515	5.2
161.04533	5.2
164.69208	4.5
171.10193	8.1
173.04659	5.1
185.55141	4.1
191.05621	11.3
261.04498	4.1
266.58902	5.4
293.10770	4.2
377.25339	17.3
377.67850	5.3
391.06393	5.6
509.29636	42.7
523.39685	4.3
531.27783	6.6
569.32214	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01378	41.5
61.98838	91.0
70.59077	9.6
71.01382	26.6
72.99324	7.8
73.02964	10.8
75.00906	4.2
78.95916	7.4
79.95748	4.2
83.01414	6.1
83.05048	4.2
85.02961	11.8
87.00877	8.0
88.93406	3.8
88.98807	10.0
89.02467	13.6
93.03481	9.3
96.96022	48.5
96.96987	4.7
98.20042	4.0
99.04546	5.1
101.02447	10.8
109.02938	5.6
111.04524	4.6
112.07066	3.9
113.02463	6.4
121.03008	5.9
125.02475	5.3
125.09749	4.0
133.02992	4.6
134.03781	4.3
135.04544	7.7
137.02451	13.3
139.04117	4.3
151.04037	4.7
161.02483	8.3
161.04634	7.0
173.04613	7.7
179.03549	4.7
181.05078	4.1
191.05634	16.0
213.95050	4.6
262.21872	4.4
364.03845	4.3
523.69580	4.0
531.28412	6.2
533.17450	4.5
533.33740	5.8
569.31464	100.0
570.31091	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	569.3102
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
57.03445	3.6
59.01385	22.8
61.98838	100.0
62.84917	2.8
64.43394	2.5
71.01394	15.7
72.99297	4.0
73.02953	7.3
75.00865	3.8
78.95917	5.8
83.01398	3.6
85.02972	8.3
87.00876	6.2
88.98828	7.3
89.02455	13.3
93.03462	8.9
96.96027	39.3
96.96964	5.0
101.02454	5.6
109.02940	3.2
113.02466	6.2
114.03551	3.0
119.03540	4.3
122.29398	3.2
125.02480	4.7
131.03502	3.5
134.03716	2.9
135.04535	10.8
137.02460	10.0
149.04552	3.0
161.02487	3.8
164.01099	3.5
173.04558	11.3
177.09457	2.7
179.03488	4.4
191.05672	19.1
248.06834	4.4
318.93390	3.0
373.73923	3.0
533.32959	3.8
538.77747	5.1
569.31885	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3104
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
54.60825	1.2
59.01383	40.9
60.01706	3.1
61.01802	3.2
61.98837	100.0
71.01390	17.8
71.55797	2.1
72.99308	3.6
73.02940	3.9
75.00872	2.5
79.33480	1.3
83.01414	2.0
85.02965	6.8
87.00883	2.7
87.04521	45.2
89.02460	11.7
99.00922	2.1
101.02438	9.6
106.81439	1.5
111.00804	2.1
113.02438	5.2
117.94778	1.4
122.28086	1.5
128.62085	1.4
131.03497	5.7
137.02434	1.7
149.04582	2.3
158.92279	1.6
161.04488	2.9
162.57645	1.5
188.88737	1.5
191.05666	2.6
203.07155	2.2
333.58240	1.7
421.20993	3.6
466.05145	1.7
509.25806	20.5
510.26627	1.9
514.77484	1.5
533.33679	12.9
569.30988	88.7
570.31464	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95839	2.3
57.39276	2.3
59.01384	24.6
60.01732	2.4
61.98835	25.5
71.01382	11.1
71.15422	4.6
71.79375	2.2
73.02947	5.2
78.95927	2.7
85.02953	6.2
87.00862	2.2
88.98805	5.8
89.02475	5.8
93.03475	4.4
96.96036	10.5
101.02471	6.0
108.02170	4.0
109.02954	4.9
113.01491	2.2
113.02368	2.7
125.02426	2.7
135.04553	4.4
138.98549	2.4
151.00452	4.7
153.85756	2.3
160.98384	2.5
161.02484	4.0
191.05585	8.7
375.29892	2.6
404.36270	2.3
481.05948	2.2
485.83096	2.8
509.29962	4.3
510.59406	2.5
533.33588	7.5
538.77960	4.0
554.22137	2.5
569.31165	100.0
570.32098	7.4
592.65674	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	569.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60825	1.2
59.01383	40.9
60.01706	3.1
61.01802	3.2
61.98837	100.0
71.01390	17.8
71.55797	2.1
72.99308	3.6
73.02940	3.9
75.00872	2.5
79.33480	1.3
83.01414	2.0
85.02965	6.8
87.00883	2.7
87.04521	45.2
89.02460	11.7
99.00922	2.1
101.02438	9.6
106.81439	1.5
111.00804	2.1
113.02438	5.2
117.94778	1.4
122.28086	1.5
128.62085	1.4
131.03497	5.7
137.02434	1.7
149.04582	2.3
158.92279	1.6
161.04488	2.9
162.57645	1.5
188.88737	1.5
191.05666	2.6
203.07155	2.2
333.58240	1.7
421.20993	3.6
466.05145	1.7
509.25806	20.5
510.26627	1.9
514.77484	1.5
533.33679	12.9
569.30988	88.7
570.31464	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15325	0.3
53.68897	0.3
55.01865	0.4
58.00581	0.5
59.01384	20.1
61.98822	1.3
71.01389	13.7
72.99319	1.2
73.02952	1.3
75.00846	0.5
83.01396	0.7
85.02951	2.2
87.00880	1.3
89.02454	18.5
94.75916	0.3
95.01396	1.1
96.96043	0.7
99.92597	8.9
101.02460	7.0
105.01946	2.2
113.02457	6.0
116.92873	100.0
117.01941	1.1
117.03456	0.6
117.92879	2.6
119.03515	6.0
121.02938	0.4
122.03729	0.5
123.04551	0.5
125.02454	0.4
131.03506	1.0
134.03783	0.5
135.40311	0.3
143.03549	1.6
145.02966	1.0
147.04626	0.4
149.02490	1.4
149.04550	0.5
150.03258	3.2
161.02435	1.0
161.04564	1.4
162.03244	5.2
164.04779	0.6
165.05617	2.8
177.05583	3.3
179.05643	3.0
180.04323	0.5
181.05112	2.7
191.05640	0.4
195.06635	2.4
196.07405	2.2
200.29655	0.3
211.09825	0.9
223.06140	0.6
230.73604	0.3
265.83456	0.4
314.77206	0.3
373.15128	1.1
521.20184	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	569.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59145	0.2
59.01383	0.4
69.39451	1.4
69.73476	0.2
78.95921	0.3
79.95749	2.7
89.02460	0.3
91.42503	0.2
96.96020	100.0
97.95956	0.3
105.03452	0.2
114.01932	0.2
133.02989	0.9
139.73700	0.2
145.01506	0.2
176.01288	0.3
177.01939	12.4
178.02321	0.3
191.05667	0.3
232.97646	0.7
274.98761	0.3
361.62640	0.2
465.63501	0.2
471.11462	4.2
509.06619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56291	1.0
55.01874	2.3
57.03445	2.4
58.00595	1.3
59.01385	37.3
61.98829	2.9
62.64479	0.9
63.58919	0.9
70.86147	1.3
71.01388	27.3
72.99321	2.2
73.02942	7.1
75.00865	1.7
75.76732	0.8
77.15974	0.8
78.95912	2.4
79.95756	1.1
83.01392	3.6
85.02960	12.4
86.00090	0.9
87.00881	3.5
89.02454	16.1
92.82059	0.9
93.03465	3.9
95.01395	2.4
96.96020	79.9
96.96909	4.6
99.00872	2.9
99.92566	1.5
101.02454	19.9
108.02146	1.2
108.63878	1.1
111.00855	1.5
113.02465	9.5
116.92863	17.7
119.03543	5.1
121.02984	5.2
122.03768	10.4
123.04546	1.8
131.03481	1.9
132.02138	1.4
133.02966	3.2
134.03781	5.0
134.04594	1.0
135.04541	1.1
136.01711	1.8
137.02451	1.4
142.02361	1.1
143.03508	1.5
149.02451	31.7
149.04402	2.1
149.06097	3.4
150.03238	80.6
153.09206	1.9
161.04538	2.4
162.03311	1.6
163.04047	1.6
164.04810	9.2
165.05585	76.8
166.05864	1.8
173.04555	2.1
177.05614	2.3
179.05612	1.7
179.07056	1.1
180.04298	3.6
181.05135	5.7
191.05617	3.9
193.08722	1.4
195.04834	2.0
195.06630	37.2
196.07303	6.2
211.09752	7.4
223.13446	7.9
337.33084	1.1
338.67212	0.9
344.12662	5.2
359.15009	10.8
373.15027	27.1
374.15417	1.1
521.20294	100.0
522.20526	5.7
559.41449	1.1
569.22168	15.0
569.29523	1.6
570.23456	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	568.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
61.98835	100.0
62.36296	0.3
62.98554	0.3
71.01385	1.7
71.56307	0.6
73.02945	0.5
85.02959	0.8
88.98762	0.3
89.02469	1.1
96.96041	1.4
101.02458	1.4
103.02887	0.4
105.59486	0.3
113.02484	0.6
119.05009	0.3
131.51288	0.3
133.02962	0.5
135.04547	0.6
149.02534	0.4
149.04575	0.4
151.07539	0.3
161.04681	0.4
165.44653	0.3
173.04501	0.4
177.01945	0.4
189.79810	0.3
191.05724	1.3
194.78746	0.3
220.24501	0.3
387.14325	0.3
388.15067	0.6
439.98380	0.3
507.27069	0.3
508.27313	1.9
533.26276	0.5
568.34027	0.4
569.23792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98837	100.0
63.99282	0.3
66.05354	0.3
69.44046	0.5
69.44454	1.4
71.01369	1.5
72.01749	0.5
73.02954	0.5
85.02966	0.3
88.23908	0.2
89.02466	1.5
96.96066	0.5
98.20627	0.5
101.01865	0.3
101.02467	1.1
113.02496	0.6
116.92906	0.6
131.03529	0.3
150.87019	0.2
161.04623	0.3
191.05568	0.4
374.22815	0.3
375.23102	0.3
506.26962	0.5
507.27213	1.1
508.27432	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	567.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01450	1.3
61.98625	0.6
61.98914	1.7
68.88872	0.6
69.24799	2.7
69.25224	2.7
88.18184	0.5
96.96108	1.1
96.97074	0.8
97.69537	0.6
110.33150	0.6
190.56233	0.5
425.49634	0.6
439.32181	100.0
440.32544	6.8
470.34720	0.6
485.32706	18.1
486.33249	0.9
507.30487	1.4
521.32532	41.1
522.32855	2.3
567.32922	34.9
568.33215	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	567.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03452	1.5
59.01385	100.0
60.01723	3.5
61.98838	64.3
63.16444	1.3
68.97257	1.4
71.01391	20.8
73.02953	7.0
83.01392	3.3
85.02948	9.8
87.00885	2.0
89.02438	9.3
95.01389	1.5
98.20672	3.4
101.02444	16.7
111.00924	1.4
113.02431	6.3
119.03515	3.5
131.03493	2.2
149.04509	1.7
159.02974	1.5
161.02423	1.8
161.04568	6.2
182.92682	1.4
345.30255	3.8
409.98117	1.5
455.74899	6.4
456.24826	3.5
507.35419	39.4
508.35654	2.7
531.28070	6.0
567.25677	40.3
568.26172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40320	1.3
52.87060	1.7
55.01870	6.5
57.03455	4.1
58.00591	3.6
59.01386	100.0
60.01706	2.4
60.58680	1.5
61.98841	17.3
69.39336	12.4
71.01388	65.6
71.01785	3.2
72.01732	2.3
72.99303	4.7
73.02955	23.8
75.00863	1.8
82.48643	1.6
83.01394	13.7
85.02961	36.2
86.00124	2.9
87.00883	6.6
89.02457	32.5
95.01377	3.8
96.96020	7.2
97.02945	2.2
98.20663	3.4
99.00900	7.8
101.02451	54.8
102.02799	3.5
111.00880	4.6
113.02470	22.5
114.40607	1.5
115.92102	2.2
119.03508	5.6
125.02497	2.4
129.01917	2.1
131.03525	12.7
143.03471	3.1
149.04521	6.1
159.02965	2.2
161.04585	12.5
191.05647	3.8
210.78458	2.0
233.06729	1.6
240.57593	1.5
260.11887	1.8
282.60922	1.8
369.23035	3.6
375.20233	34.3
425.33710	1.6
455.24832	8.3
455.74863	31.1
456.24820	12.8
507.24445	88.3
508.24554	5.4
536.27362	2.0
536.77612	54.4
537.27838	23.7
537.77539	4.0
567.25110	6.3
567.33746	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	567.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
58.00594	2.7
59.01385	55.2
61.98831	7.7
68.88248	1.1
69.20129	3.0
69.20524	10.3
71.01387	34.2
72.99307	2.6
73.02943	5.4
75.00890	1.1
78.95900	4.0
83.01393	1.2
83.20889	1.2
85.02970	8.4
85.50892	1.1
87.00865	2.9
89.01950	1.3
89.02451	35.2
90.58848	1.3
93.03439	2.0
95.01382	2.4
95.05019	1.5
96.96017	15.4
96.96956	5.6
98.19868	2.5
99.04524	2.4
101.02451	20.1
105.01984	1.2
108.02206	2.9
113.02453	9.2
116.92845	1.9
119.03508	9.6
123.04504	2.1
125.02402	1.5
131.03479	4.3
133.02945	1.9
135.04497	1.7
149.02396	1.3
149.04515	3.6
150.03268	1.7
161.02435	4.4
161.04535	2.4
163.11292	5.4
165.05595	2.0
173.04524	2.2
179.03731	1.6
179.05605	9.3
179.91568	1.4
181.05090	2.0
181.10849	2.0
181.12354	31.3
182.12778	1.5
191.03568	6.5
191.05577	5.7
195.06657	2.0
196.14214	1.1
206.05754	6.2
207.10239	4.1
209.08220	1.6
221.08211	15.9
225.11337	81.3
226.11636	2.2
239.12959	2.1
267.12479	10.0
327.14423	1.6
345.09598	1.7
375.14502	11.0
387.16776	2.3
398.66214	1.1
405.17700	100.0
406.18118	5.5
413.21832	1.7
447.18588	13.6
477.19739	5.0
507.20593	4.8
513.24023	1.5
521.26379	6.0
531.24811	7.0
567.22412	12.1
567.30304	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	567.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.2
59.01387	82.4
61.98843	22.3
71.01386	47.8
71.55100	3.6
72.99313	5.1
73.02978	9.9
78.95911	3.2
85.02953	12.2
87.00879	4.5
89.02454	63.8
93.03470	5.7
94.27637	2.4
94.86171	2.0
95.01378	4.9
95.05029	2.0
96.96020	21.8
96.96948	3.4
99.04511	4.1
101.02447	31.0
101.09015	2.0
108.02193	8.5
109.02934	2.5
113.02470	19.6
116.92866	7.4
119.03503	20.4
123.04532	7.3
123.81078	2.0
131.03473	3.7
133.03011	2.5
135.04509	3.2
137.02461	4.1
143.03517	4.8
149.04568	3.9
151.04044	2.4
152.71466	1.9
159.44383	2.2
161.02393	3.7
161.04518	7.0
163.11301	4.1
173.04504	5.6
175.02538	3.3
179.05614	33.6
180.05943	2.4
181.12363	26.9
191.03485	27.6
191.05589	10.5
206.05856	29.1
207.10374	4.0
209.08072	2.4
221.08194	66.7
225.11342	79.4
233.15561	5.0
239.09268	7.6
255.13887	6.2
267.12372	6.2
282.10535	2.1
345.09683	2.6
351.18106	8.9
375.10162	3.7
375.14496	45.1
405.17752	100.0
406.17847	6.6
413.21631	2.6
429.21414	2.9
435.20215	3.2
441.21780	2.2
447.18741	11.9
471.21512	2.9
477.19717	6.6
507.20395	3.4
521.26520	2.7
531.24542	40.1
555.74670	2.3
567.22168	50.1
567.30072	11.7
568.22589	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76765	1.7
55.01871	2.8
57.03453	3.1
59.01385	68.9
61.98833	10.0
62.48071	1.5
64.59235	1.8
70.49608	6.0
71.01393	35.1
72.99321	2.3
73.02953	7.7
75.82592	1.7
83.01405	6.1
85.02954	14.7
87.00926	2.0
89.02461	13.6
95.01396	3.4
96.96038	4.1
99.00885	3.5
101.02455	22.7
113.02464	17.4
119.03495	6.1
125.02422	1.6
129.01862	1.8
141.01915	1.8
143.03505	2.2
155.78310	1.8
161.04590	7.6
191.05699	3.3
192.05980	2.4
203.37601	1.9
239.29701	1.7
299.25833	5.2
311.26062	2.6
343.28302	4.7
354.92682	1.6
361.29572	5.5
365.45132	1.7
457.31366	2.8
505.33850	100.0
506.34207	6.3
523.34998	8.1
565.28662	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	72.2
61.98841	100.0
71.01398	28.1
71.55259	10.2
71.55618	14.0
81.24595	10.3
82.96542	9.5
86.99981	11.4
92.36826	10.2
96.96027	14.5
101.75411	11.7
113.02469	12.5
184.65025	11.2
218.49879	10.2
253.09299	17.0
291.19543	11.3
293.21289	24.7
429.15121	12.7
565.33368	17.2
580.77991	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32725	1.5
57.03453	3.2
58.00594	3.6
59.01385	100.0
61.82644	1.3
61.98828	7.0
67.94919	1.4
70.28536	1.3
71.01389	52.6
72.99320	2.9
73.02960	7.6
83.01395	4.5
85.02953	18.8
85.27170	1.4
87.00874	3.3
89.02451	50.1
95.01408	5.6
95.58113	1.6
96.96030	4.4
99.00887	4.9
101.02454	33.9
113.02471	26.5
119.03520	25.3
124.10954	1.5
131.03474	1.9
138.93620	1.7
143.03528	6.5
149.04596	1.6
159.03009	3.4
161.04567	18.8
173.04532	2.1
179.05634	14.0
191.05666	4.8
213.18559	4.4
292.06827	1.5
343.28485	9.8
353.16394	1.7
505.33838	85.7
506.34521	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	565.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45347	2.4
57.03448	4.8
59.01115	3.6
59.01388	57.3
61.98837	13.5
63.49130	3.2
71.01392	25.6
72.99294	2.7
73.02934	7.0
78.95913	14.1
83.01380	3.7
85.02965	12.3
87.00836	2.7
89.02437	13.0
93.03424	4.6
95.92814	2.4
96.96014	2.6
96.96931	4.0
98.93094	2.9
99.00843	5.8
101.02460	22.5
113.02436	11.7
125.02464	3.0
127.66491	2.4
131.03494	2.6
149.04512	4.5
153.01904	3.8
161.04559	6.1
173.04549	4.3
191.05614	6.2
193.05988	4.2
278.07129	2.7
288.49490	2.6
364.66275	3.3
393.86804	3.2
397.21893	4.6
415.36719	3.4
455.24350	5.8
485.22791	3.4
505.26865	5.1
505.33704	20.0
529.26538	100.0
530.26532	8.0
565.23975	97.8
565.34021	4.4
566.24139	6.4
581.13068	3.2
581.99579	3.0
594.06549	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	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01384	12.6
61.98835	21.3
69.29301	2.2
69.29710	5.7
71.01394	9.1
72.99326	1.6
73.02975	2.9
85.02985	2.7
87.00876	2.1
89.02447	8.8
93.03510	2.7
95.01405	2.7
96.96020	14.0
96.96989	1.1
98.19837	2.0
98.95629	1.6
99.00899	1.1
101.02454	12.6
102.87540	0.9
107.05076	1.3
108.02182	1.5
109.02966	4.1
111.00877	1.8
111.04564	1.0
113.02467	2.8
119.03535	1.3
119.05045	1.1
121.02967	1.9
123.00890	2.8
123.04540	1.8
124.01691	2.5
125.02506	1.6
131.03552	1.5
134.03711	1.0
135.04550	3.1
136.01685	3.8
136.98790	1.7
137.02466	2.9
139.00410	9.4
139.04015	2.7
147.04538	4.4
148.01704	1.5
149.02454	2.0
149.04584	2.4
149.06119	0.9
150.03255	1.1
150.65456	0.9
151.03998	5.2
153.01997	1.5
153.05582	3.0
159.04530	1.3
161.02420	2.3
161.06113	1.0
163.04021	8.9
164.04794	1.6
165.01976	1.4
165.05592	2.7
166.02734	4.3
167.03577	0.9
173.04611	2.2
174.03287	1.4
175.04053	2.0
176.01106	1.4
177.01967	1.9
177.05630	3.8
178.02718	1.9
179.03448	1.4
180.04512	1.0
181.05095	11.2
184.14314	0.8
185.02444	1.2
188.04765	4.8
189.05473	1.4
191.03531	2.4
191.05664	4.4
193.04994	5.0
195.06670	1.2
202.74985	0.9
203.03554	2.4
204.04224	1.4
209.08223	2.0
211.06181	3.6
221.79837	0.9
225.11530	1.1
254.06090	1.2
256.61826	1.0
270.40503	0.8
284.06900	2.2
299.09262	3.8
313.07349	2.6
314.11569	1.9
327.08856	1.2
328.05902	1.9
328.09515	16.9
328.13052	1.4
340.09665	3.5
343.07745	2.2
343.11853	34.9
344.12146	2.0
355.11905	3.1
369.19119	1.4
373.09167	4.0
373.13257	11.4
388.11673	5.0
389.12543	1.9
391.27106	0.9
403.14008	100.0
404.14386	5.2
519.25250	1.2
535.15106	1.4
565.19373	31.1
565.28674	4.7
566.19232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22240	0.8
50.22515	0.7
59.01376	5.8
60.99315	17.3
62.58907	0.9
71.01392	2.7
71.33026	1.2
75.00896	0.8
75.54777	0.9
75.77808	0.9
78.95905	1.4
80.53867	0.8
85.02968	1.0
88.98815	100.0
89.02435	2.8
93.03459	1.4
96.96019	6.3
96.96939	1.2
101.02436	1.1
104.57840	0.9
109.02954	1.5
109.06598	1.1
113.02444	1.4
121.02975	1.8
135.04558	1.4
137.02521	0.9
137.06097	4.5
138.66713	0.9
165.05573	1.5
181.05093	17.6
191.05569	2.8
242.85590	0.9
259.98962	0.9
270.94940	1.4
272.07306	0.9
475.14618	28.0
476.14948	1.8
529.06342	1.4
537.90033	1.0
565.17535	1.5
565.27393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0479
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
51.10393	0.3
59.00214	0.3
62.96402	0.7
69.72706	1.0
69.73120	0.4
71.01399	0.4
78.95909	100.0
87.00895	0.7
96.96084	1.6
96.96968	36.8
97.16405	0.3
111.02009	7.4
111.02782	0.4
113.02433	0.4
120.97007	2.1
138.98021	3.5
150.98051	3.3
158.92548	15.5
164.03496	0.4
168.99109	0.4
174.97987	0.8
176.93559	1.3
192.99031	1.5
211.00136	4.9
223.00122	0.3
241.01205	9.2
241.25070	0.3
256.26001	0.3
259.02158	0.5
262.01215	0.3
272.95709	5.3
278.07706	0.3
280.02328	1.7
305.01608	0.8
315.55603	0.3
320.97855	3.1
323.02850	67.0
324.03247	1.7
384.98444	4.7
402.99420	2.2
469.79642	0.3
565.04749	22.9
566.05200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0482
Annotation	UDPglucose
Peak:m/z	Relative Intensity
53.20478	0.5
58.92346	0.5
62.96412	0.7
70.83295	1.3
74.56763	0.5
78.95911	100.0
86.64012	0.5
96.96070	3.2
96.96969	35.8
111.02005	7.8
120.96954	1.2
122.26801	0.4
136.94026	0.7
138.98022	2.7
150.97992	2.8
158.92543	15.8
174.98029	1.5
176.93581	1.7
178.95027	0.7
180.94890	0.6
188.15826	0.4
191.32231	0.5
192.99046	1.5
211.00117	5.5
235.83521	0.5
241.01216	9.0
272.95694	4.2
280.02255	1.9
305.01840	0.7
320.97809	2.7
323.02856	63.9
324.03183	2.2
378.81094	1.2
379.81253	0.7
380.80994	2.3
384.98462	5.0
402.99326	1.8
420.82370	2.5
421.82272	1.1
422.81967	3.6
564.83081	1.9
565.04749	21.6
566.05072	1.3
582.84473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87309	0.2
59.01389	3.4
61.98837	100.0
63.47777	0.2
66.60396	0.2
69.22197	2.3
71.01389	2.2
72.01723	0.6
72.99328	0.2
73.01821	0.2
73.02944	0.7
85.02983	0.9
89.02457	3.3
90.02797	0.4
91.02862	0.3
96.54927	0.2
96.96073	0.4
98.17513	0.2
101.02449	1.9
102.02802	0.4
113.02492	0.5
117.70304	0.2
119.03548	0.4
131.03517	1.0
149.04558	1.9
150.04924	0.6
151.05048	0.5
152.05417	0.2
191.03693	0.2
191.05666	0.8
192.06067	0.2
197.08244	0.3
201.80536	0.2
305.80319	0.2
397.81433	0.3
504.25232	1.2
505.26428	1.0
525.36804	0.2
565.19629	0.7
565.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99281	0.3
59.01384	3.4
60.01719	0.3
61.98836	100.0
69.91304	0.3
70.42535	0.2
71.01389	2.2
71.32816	0.3
73.02937	0.3
83.29321	0.2
85.02977	0.5
89.02447	3.4
90.02774	0.5
96.96020	0.7
101.02464	1.7
102.02850	0.4
113.02479	0.5
119.03545	0.3
129.15965	0.2
129.63139	0.3
131.03539	0.9
149.04567	2.6
150.04883	0.5
151.03967	0.3
151.05084	0.7
173.04657	0.5
191.05626	1.1
192.06117	0.4
301.34540	0.3
328.02362	0.3
504.25354	0.9
505.26813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39346	0.8
55.01863	1.2
57.03437	2.9
58.00589	1.0
59.01384	55.3
61.98830	9.6
62.35202	0.8
67.01901	1.4
68.45025	0.8
69.03442	3.3
70.09843	0.8
71.01389	38.7
71.05023	0.9
71.57483	1.6
72.99310	3.0
73.02948	10.6
81.03426	1.0
83.01381	3.7
85.02956	13.4
86.89466	0.8
87.00888	8.4
87.04509	2.7
89.02449	27.7
93.03460	8.0
95.01405	1.4
96.95993	3.6
97.02930	1.4
99.00863	2.4
101.01031	0.9
101.02451	20.9
109.02959	1.3
111.00877	2.9
111.04527	2.0
113.02463	8.3
115.04008	0.9
119.03503	3.4
125.02433	3.4
131.03540	10.8
137.02444	1.2
143.03450	1.5
149.04567	7.4
151.00331	2.6
155.03526	0.8
159.03038	1.1
161.04515	3.1
166.02715	6.6
173.04565	9.7
177.01898	3.1
177.05579	0.9
179.05675	1.2
181.05107	7.4
191.05620	27.7
209.04515	1.1
211.07693	1.2
212.72339	0.8
226.05820	0.8
229.05054	1.0
233.06516	1.2
251.60735	1.0
283.13358	1.4
301.14352	1.0
311.12939	2.1
327.16034	2.4
345.16885	1.5
346.40851	0.8
353.14001	3.3
359.28259	1.1
371.14850	2.3
387.10919	1.5
387.23615	1.1
389.16064	2.1
402.13034	1.3
417.15540	11.9
435.38870	0.9
503.25031	5.3
503.32236	6.3
521.33032	2.8
545.20331	1.9
563.27063	100.0
564.27380	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	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
58.00575	2.3
59.01387	76.5
61.98825	7.0
67.01886	1.8
69.03448	3.4
71.01388	56.3
72.99303	3.2
73.02945	12.4
81.03436	3.9
83.01389	5.0
85.02520	2.2
85.02958	21.1
87.00878	15.6
89.02453	43.5
89.84270	1.5
93.03469	19.6
95.01395	3.2
97.02950	4.4
99.00877	4.2
101.02453	29.8
111.00865	4.0
111.04523	3.4
113.02455	15.4
115.04017	1.8
119.03502	4.3
125.02464	4.5
127.03999	2.0
131.03502	13.7
132.79649	1.8
137.02538	1.8
137.09732	8.2
139.11288	7.9
149.04588	19.6
155.03612	2.0
159.02896	2.1
161.02322	1.6
161.04559	7.5
161.88622	1.7
173.04585	22.1
173.05992	1.9
186.06769	1.9
187.07553	1.8
191.05623	75.9
191.14458	2.6
192.06064	2.5
194.61278	1.8
203.07167	2.3
204.07826	2.9
209.15491	8.8
211.07680	1.7
214.06331	4.6
225.09256	1.9
229.08769	2.7
229.17989	2.0
230.35693	1.9
232.07344	5.2
233.06641	3.7
239.07497	2.3
247.09715	2.9
248.10396	2.3
273.14914	2.4
283.13443	5.3
293.08655	4.4
301.14243	2.9
311.12839	2.1
327.15927	8.2
327.21716	3.2
329.14047	2.1
345.16922	4.6
353.14014	11.2
371.14905	7.0
371.20575	6.6
383.11310	3.0
389.16107	12.5
391.23608	2.2
503.25110	100.0
503.32159	13.9
504.25165	7.0
545.20209	7.1
563.20496	11.8
563.28107	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	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
57.03444	5.3
57.50137	1.4
58.00607	3.1
59.01387	71.5
60.49805	1.4
61.98830	3.2
66.81897	1.6
67.01903	3.2
68.30662	1.3
69.03469	3.1
69.38595	11.9
71.01009	3.2
71.01389	47.8
72.99310	4.0
73.02949	9.8
74.32080	1.4
81.03477	2.2
83.01384	6.3
83.05045	2.3
85.02960	22.6
87.00883	19.1
89.02458	32.0
93.03470	30.7
95.01423	2.4
96.96004	2.3
97.02981	1.6
99.00876	2.4
100.79017	1.4
101.02457	28.7
103.96747	1.3
107.01424	1.6
109.02953	2.4
109.29111	1.4
109.70740	1.5
111.00883	3.6
111.04526	7.8
113.02462	14.1
119.03490	3.4
120.51809	1.4
122.07732	1.5
125.02463	5.9
127.04008	3.5
130.84187	1.5
131.03511	12.5
134.03743	4.1
136.01721	1.8
137.02426	2.8
141.74481	1.4
143.03564	1.8
149.04570	8.2
149.06050	2.2
151.00386	11.0
155.03494	4.7
155.10829	1.5
159.03040	1.5
161.04558	6.7
172.05251	1.9
173.04585	41.9
173.06073	5.0
174.03215	2.0
174.06775	2.0
175.03979	2.2
175.07715	3.3
176.04802	1.4
177.01967	1.6
177.05525	2.0
186.06812	4.9
187.04182	1.7
187.07681	10.1
189.05573	2.0
191.05627	100.0
192.05914	2.2
201.05595	5.3
201.09229	3.3
203.03368	1.9
203.07161	10.2
204.07860	2.7
205.08786	2.2
214.06375	5.2
215.07196	5.4
217.08549	1.5
218.09225	1.6
229.08702	6.4
230.09438	8.1
232.07466	9.3
233.06630	4.2
243.41399	1.5
247.09746	7.8
248.10445	4.6
255.13948	1.5
274.08459	2.5
293.08716	2.4
301.07169	20.3
311.12848	2.5
327.16110	7.0
329.13815	2.2
345.17184	4.9
353.13879	4.0
359.27982	2.6
371.14862	5.4
371.20715	10.3
389.16022	19.0
503.25122	90.7
503.32159	12.1
504.25339	3.8
521.33154	5.1
535.10907	2.9
545.20007	5.3
563.21851	23.1
563.30737	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	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18488	1.4
55.01871	2.1
57.03455	2.4
58.00603	1.5
59.01388	72.8
61.98840	5.9
67.01868	1.6
68.49363	1.2
68.88673	1.1
69.03431	1.1
69.40212	7.8
71.01388	40.4
72.99334	2.7
73.02941	7.7
83.01395	4.7
84.87514	1.0
85.02957	17.3
87.00881	8.3
87.48852	1.0
89.02452	36.4
93.03463	9.3
95.01402	1.8
96.57453	1.1
96.96032	1.4
97.02985	1.1
99.00874	2.0
101.01802	2.2
101.02456	26.1
107.01371	1.1
107.04997	2.3
108.02171	1.5
111.00915	2.8
111.04469	2.6
113.02473	10.5
115.04035	1.3
116.83144	1.3
118.86871	1.2
119.03535	5.8
125.02467	2.7
129.95349	1.1
131.03510	13.8
143.03499	2.5
149.04555	13.9
150.92859	1.1
151.03963	3.8
155.03429	2.3
161.04599	7.0
163.97052	1.2
173.04584	16.1
173.05980	1.9
175.04004	1.8
175.07643	2.6
186.06805	1.3
187.07629	4.0
187.11238	1.2
191.05637	40.6
192.05872	1.4
201.05582	3.6
201.09189	2.1
203.07089	3.5
204.07971	1.5
205.08698	1.5
208.47716	1.2
211.07668	1.2
214.06355	4.2
215.07120	2.9
229.08704	2.7
230.09433	4.8
230.26843	1.0
232.07372	4.1
233.06287	1.7
233.08315	1.8
247.09805	5.4
248.10518	3.7
274.08350	2.6
283.13397	1.4
285.07605	1.6
301.07187	3.4
311.12616	1.6
317.10410	3.4
327.16028	3.3
345.16916	2.6
353.13940	2.3
359.28067	2.0
371.14905	1.7
371.20685	8.0
389.16159	7.9
502.65518	1.2
503.25082	100.0
503.32126	9.2
504.25363	5.9
516.55505	1.3
521.33514	3.1
563.21289	11.0
563.30609	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	563.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.11414	9.7
61.98832	30.9
71.01385	25.3
87.00880	18.6
93.03477	44.3
111.04466	9.9
132.25076	12.6
140.41473	10.7
173.04565	54.5
191.05626	96.6
215.07118	17.0
219.72507	10.9
229.08673	10.1
233.08290	23.0
236.10515	11.3
247.09727	17.2
289.05948	11.7
291.19675	20.1
403.40689	11.7
544.32220	13.0
545.20313	13.8
563.20856	13.7
563.33624	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84137	3.3
59.01385	45.8
59.36997	3.2
60.79853	3.4
61.98849	18.7
63.14827	3.3
68.99039	3.4
71.01382	10.8
71.56041	3.8
71.56413	3.6
73.02943	13.5
78.95903	3.8
83.01399	3.4
83.05016	5.3
85.02968	6.5
96.96018	7.8
96.96953	4.6
97.02968	5.4
97.06628	4.2
101.02412	10.4
109.06607	22.3
119.43777	3.7
163.11313	19.6
185.11884	4.2
207.10277	43.7
209.11856	100.0
225.11342	20.7
227.12872	6.4
233.15576	6.2
249.11273	4.5
290.53543	3.3
315.84677	4.2
341.27045	4.0
475.24329	3.8
518.92828	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	563.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30141	1.0
57.03447	1.6
58.92241	1.0
59.01377	6.8
68.58739	1.1
68.99864	1.0
69.03460	1.2
71.01387	12.0
71.55626	1.9
72.99307	2.7
73.02954	4.8
78.95898	7.1
81.03480	1.3
83.01392	4.0
85.02969	6.7
87.00885	29.9
89.02453	4.1
95.01385	4.0
96.96009	6.1
96.96963	8.1
97.02964	2.7
99.00906	8.5
101.02451	5.6
111.00882	7.8
112.98821	6.7
113.02470	3.5
119.03473	2.5
123.00905	9.5
124.01647	1.4
127.00385	1.7
129.01927	4.6
131.03522	1.6
135.04565	1.4
138.03232	4.3
142.99858	4.6
145.01379	2.4
147.04482	1.3
149.02473	2.7
151.03943	1.6
153.05568	6.3
161.02451	11.6
163.04024	9.5
164.04800	7.0
166.02760	4.6
173.00935	32.0
173.02345	1.9
174.01698	8.5
175.04039	3.6
176.04793	7.2
177.01944	4.3
178.06371	9.7
179.03535	13.2
179.05574	2.6
179.07103	9.9
181.05054	4.9
187.04095	1.4
188.25066	0.9
189.05583	1.7
190.02753	2.6
190.06358	1.6
191.03506	10.2
191.05565	3.2
191.07190	4.4
192.04251	1.1
193.08708	11.9
194.05879	15.1
201.01994	1.0
203.03568	5.6
205.05045	4.1
206.05823	7.4
207.03001	2.4
207.06691	2.2
209.08214	20.2
218.05850	2.4
219.02989	5.5
220.03899	1.5
221.04712	1.5
221.08272	9.2
231.03033	1.3
233.08275	1.5
234.05309	4.3
235.06078	1.2
236.06937	1.5
237.07724	2.0
245.04666	1.3
246.05414	1.2
247.02475	6.9
247.06052	1.5
249.07738	10.3
250.04758	2.0
251.09296	1.2
261.03995	3.1
261.07629	2.3
262.04816	13.7
264.06390	2.2
265.07196	13.5
276.06409	4.7
277.07190	36.2
279.50125	1.0
289.07129	3.5
291.08670	2.8
295.08215	1.5
307.08270	3.0
335.06125	1.5
336.06982	2.5
337.09323	31.6
383.10272	2.3
427.12463	5.4
439.12561	2.3
487.14587	11.3
503.16541	1.2
563.16211	100.0
564.16400	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.3
58.00566	2.3
59.01079	2.2
59.01384	50.1
69.89958	10.1
71.01012	3.9
71.01387	50.1
72.99312	6.3
73.02949	6.7
75.00871	3.0
83.01394	34.6
83.74936	2.5
85.02959	15.2
85.03393	2.6
87.00867	6.9
88.98804	7.8
89.01962	2.4
89.02464	41.0
95.01372	3.4
96.96061	2.4
97.02940	6.7
99.00885	29.7
101.02455	25.8
105.03439	2.8
111.00884	9.5
111.51017	2.3
113.02450	19.7
119.03496	15.0
124.98835	12.2
125.02481	4.9
127.00389	82.5
129.01961	17.4
135.04590	11.1
139.03996	3.2
143.03491	5.1
145.01448	16.3
149.02455	8.2
151.00352	2.9
151.03966	3.9
154.99838	6.7
157.01440	7.9
159.02992	2.1
161.02469	12.4
161.04535	6.3
163.04030	90.0
164.04758	9.4
165.05638	3.1
166.02672	4.3
168.30838	2.2
173.00957	21.3
176.01158	3.1
176.04771	10.2
177.02011	13.0
178.06380	67.8
179.03549	20.6
179.05623	17.4
179.07133	9.8
181.05055	4.0
187.02434	3.3
190.02625	5.0
191.03516	46.6
191.07178	4.4
192.04205	4.6
193.08730	7.0
194.05884	15.2
203.03485	3.0
205.05066	8.5
206.05800	15.3
207.03038	2.7
207.06654	5.4
209.08194	10.1
215.01949	3.2
215.03700	2.8
219.03046	2.6
220.03781	3.0
221.04553	4.3
221.08220	5.8
231.02823	3.3
233.04578	3.7
237.07675	7.4
238.04730	7.6
248.07011	3.5
249.07693	5.0
259.02225	2.6
261.07605	3.0
262.04813	5.1
265.07211	17.0
274.04813	3.1
277.07227	26.1
289.07211	15.8
291.08777	14.0
307.08258	24.5
308.08453	2.7
335.06216	36.5
336.07019	100.0
487.14603	55.4
499.14493	3.2
563.16180	82.8
564.16565	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
61.58778	2.3
66.41119	2.4
68.28324	2.3
71.01385	25.1
71.54002	2.4
72.99323	3.3
73.02935	5.8
74.83289	2.4
75.00886	2.4
78.95906	4.9
83.01385	12.9
85.02957	11.5
87.00879	29.5
88.48551	2.5
89.02459	18.7
95.01427	2.4
96.96105	2.4
96.96966	7.7
97.01614	2.3
97.02937	3.4
98.20663	2.5
99.00871	11.8
101.02442	16.3
111.00896	6.7
113.02471	6.8
119.03500	3.2
124.98738	2.6
125.02433	3.1
127.00385	23.4
129.01970	9.5
135.04549	4.5
138.03282	2.4
143.03516	3.6
145.01424	6.5
147.03018	3.5
150.03287	2.6
151.04103	2.9
153.05579	8.6
161.02483	8.6
161.04573	4.4
163.04036	39.8
164.04778	10.9
166.02748	6.1
173.00902	19.7
174.01732	3.1
176.04791	8.6
177.01944	3.3
178.06343	23.8
179.03511	14.5
179.05592	5.8
179.07019	13.8
181.05099	6.0
191.03610	11.6
191.05551	9.6
191.07117	4.8
193.08737	6.5
194.05876	17.4
203.03427	2.9
205.05002	5.8
206.05853	6.8
209.08206	18.7
219.03033	3.9
221.06558	5.6
234.05302	3.7
237.07855	3.6
238.04848	2.8
245.04547	3.5
249.07660	6.3
256.26389	2.5
262.04791	4.1
265.07104	21.0
277.07120	17.3
289.07211	7.8
291.08682	3.0
294.26654	2.3
307.08282	11.9
335.06259	12.1
336.07013	33.7
337.09390	5.8
427.12698	12.9
487.14575	18.2
563.16180	100.0
564.16406	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	563.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03450	1.2
59.01389	5.6
71.01385	8.4
71.26075	1.7
72.99313	1.4
73.02942	4.3
75.00819	0.9
78.95911	5.9
83.01402	2.2
83.34718	0.9
85.02954	6.0
85.18008	0.9
87.00351	1.9
87.00883	32.6
89.02462	4.5
95.01384	3.6
95.01932	1.0
96.96006	3.5
96.96992	8.2
97.02934	2.0
98.22768	1.2
99.00896	6.5
101.02451	4.6
111.00918	6.6
112.98809	8.4
113.02457	2.9
115.00445	1.0
119.03517	1.3
121.64946	1.0
123.00893	6.4
124.01624	1.1
127.00375	1.3
129.01952	3.3
135.04587	1.3
138.03250	5.8
142.99883	5.1
145.01433	3.6
147.03062	1.6
147.04395	1.6
149.02449	2.3
151.00371	1.4
151.03946	1.3
153.05562	8.7
159.93100	0.9
161.02444	9.9
163.04012	8.8
164.04822	6.4
165.05524	0.9
166.02676	5.0
173.00938	34.7
174.01669	7.1
174.03123	1.8
175.03995	2.8
176.04791	8.5
177.01889	2.7
177.05515	2.7
178.06349	8.3
179.03522	12.6
179.05634	1.7
179.07057	10.6
181.05093	5.8
189.05598	1.9
190.02748	3.3
191.03502	9.3
191.05582	2.8
191.07077	5.2
192.04366	1.6
193.04994	2.0
193.08719	11.5
194.05876	17.0
201.05595	1.0
203.03505	5.6
205.05090	6.9
206.05859	5.8
207.03061	1.2
207.06563	1.0
209.08214	17.5
217.05061	1.1
218.05873	3.2
219.02922	4.6
219.06621	1.2
221.04663	1.4
221.08264	8.3
229.01230	1.6
231.02977	1.4
233.04518	1.7
233.08188	1.5
234.05476	5.5
235.06139	1.3
237.07602	1.3
245.04434	1.5
246.05183	1.5
247.02521	8.4
247.06091	1.9
249.07658	8.8
251.09326	1.2
261.04099	3.1
261.07547	1.1
262.04810	14.0
264.06372	2.0
265.07162	13.6
276.06400	4.4
277.07175	37.6
278.07599	1.5
279.08539	1.3
289.07193	2.2
291.08670	3.4
295.08273	1.1
307.08289	3.9
325.08813	1.2
335.06192	1.5
336.07013	2.0
337.09305	35.5
378.84631	1.3
383.09857	2.8
427.12494	2.9
439.12131	2.6
457.13382	1.9
487.14719	7.0
563.16180	100.0
564.16254	5.6
578.10980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
58.00605	2.5
59.01385	97.3
61.98839	14.0
63.46339	1.7
69.21821	1.9
71.01389	63.1
71.01786	3.2
72.99319	3.0
73.02953	12.2
83.01385	4.6
85.02963	17.3
86.00106	2.6
87.00894	12.8
89.02460	85.7
93.03477	7.9
99.00877	2.6
101.02460	51.1
111.00867	2.0
113.02467	16.0
115.17339	1.9
119.03523	8.7
125.02446	4.5
131.03517	42.2
143.03578	2.1
145.17078	1.8
149.04576	100.0
155.03494	2.7
161.04544	4.9
166.34834	1.9
173.04579	12.7
191.05646	46.3
199.04108	4.0
225.09369	2.8
227.03537	3.3
243.02950	9.3
254.09497	2.6
255.02986	6.4
255.14070	2.3
266.62994	2.0
271.02487	13.1
283.13449	5.4
293.08820	3.4
299.02014	29.1
300.02762	14.1
311.09857	4.3
311.12936	5.6
314.04269	20.1
315.05176	38.6
327.16019	5.0
345.17242	4.5
353.13907	4.1
371.15054	11.2
371.20297	1.8
389.16028	3.4
389.25485	2.4
463.24191	3.2
503.25061	32.5
519.11517	15.9
545.20398	2.4
563.21222	3.4
563.30701	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	561.3251
Annotation	12,34-Oxamanzamine E
Peak:m/z	Relative Intensity
53.91848	2.0
57.03445	6.2
59.01385	96.0
61.98839	33.6
69.03426	3.0
70.52838	2.1
71.01389	48.5
71.57513	3.6
72.99302	4.4
73.02939	9.7
78.95924	5.3
80.91667	3.0
82.95435	3.1
83.01400	6.5
83.05027	3.1
85.02943	18.4
87.00874	8.5
87.04558	3.7
89.02451	42.7
93.03487	13.6
95.01395	3.3
95.05070	2.4
96.96019	8.5
99.00890	5.1
101.02451	34.8
107.01385	3.1
112.98586	2.7
113.02469	19.7
119.03493	9.9
125.02454	4.5
126.70233	2.2
131.03528	5.2
133.02983	3.3
134.03790	4.3
135.04498	8.2
136.01601	2.3
137.02440	3.7
149.04564	10.8
149.05922	2.0
151.00388	6.0
151.03850	2.7
159.02994	2.3
161.04626	10.5
163.04007	2.9
173.04570	14.5
177.01906	4.2
179.05559	5.8
183.39456	2.5
191.05612	20.5
191.07198	2.8
207.03252	2.7
207.05098	3.5
224.46957	2.6
247.77423	2.2
253.15808	2.3
266.99149	2.6
280.74991	2.2
283.06146	2.5
301.07141	9.5
354.35022	2.2
357.85684	2.4
381.26645	5.2
387.14334	2.7
388.15237	3.3
399.23682	5.3
495.23334	2.6
501.23346	6.1
501.30731	12.1
523.34857	30.1
525.35559	6.8
561.14899	6.5
561.32825	100.0
562.32629	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	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07443	1.5
57.22264	1.4
58.00599	2.4
59.01384	83.6
69.86044	4.6
69.86433	2.7
71.01389	54.9
72.99332	3.1
73.02950	7.8
83.31801	1.7
85.02960	5.9
87.00900	5.7
87.49614	1.5
88.28143	1.5
89.02455	100.0
96.96011	1.6
101.02457	40.4
110.97114	1.6
113.02462	9.8
119.03519	5.2
125.02462	1.8
131.03516	36.0
135.64082	1.4
137.09747	4.4
143.03525	2.1
149.04568	92.2
168.56503	1.6
191.05618	19.4
191.34877	1.5
200.14616	1.6
302.68927	1.9
305.11642	1.8
311.09756	2.5
311.41550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77350	1.1
55.93261	1.0
57.03455	1.2
58.00595	3.3
59.01386	80.0
60.75505	1.1
70.89133	1.9
71.01388	56.4
72.01357	1.0
72.99306	3.8
73.02955	8.4
74.34696	1.2
78.95897	7.6
83.01385	2.5
85.02949	5.9
87.00868	3.7
89.02452	100.0
91.91103	1.2
94.47528	1.1
96.96033	23.7
96.96958	13.5
101.02455	47.2
103.66130	1.2
113.02464	9.9
119.03518	8.1
125.02470	1.3
131.03517	33.5
132.03867	1.4
143.03467	1.6
149.04565	98.2
151.07671	1.1
161.04543	1.6
191.05621	20.2
262.63559	1.2
274.42206	1.1
311.09799	3.2
322.84497	1.2
517.34033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13643	1.5
58.00587	4.0
59.01384	73.7
69.77141	6.8
71.01389	45.7
72.99336	2.4
73.02962	8.5
80.59251	1.1
83.01414	1.7
85.02956	5.9
85.83330	1.3
87.00875	4.5
89.02455	90.5
89.20929	1.2
101.02451	44.5
101.77677	1.2
113.02471	8.9
119.03497	7.3
124.48701	1.3
125.02439	3.7
131.02550	2.5
131.03516	38.2
135.18269	1.3
137.09731	2.0
143.03549	1.8
145.49377	1.3
149.04572	100.0
161.04541	2.7
191.05603	18.3
191.69725	1.2
233.31052	1.1
251.07834	1.9
281.08908	1.3
311.09979	1.8
483.68365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01379	3.3
64.03976	0.4
69.40135	2.7
71.01399	2.2
78.95910	26.9
79.95747	2.7
85.02932	0.6
87.00872	0.8
89.02457	4.0
93.03437	0.8
96.96011	100.0
96.96961	42.6
101.02458	2.2
101.83043	0.4
109.06585	0.5
113.02433	0.6
119.03475	0.4
131.03465	1.3
135.04533	0.4
137.02341	0.4
137.09698	0.4
149.04602	2.9
150.81630	0.4
173.04428	0.9
191.05658	2.8
191.56296	0.4
193.05157	0.4
387.10678	1.0
517.33960	0.8
518.73157	0.5
561.25641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30828	0.6
56.86282	0.5
59.01382	5.2
60.30516	0.5
61.98845	1.0
69.03470	0.7
71.01383	3.2
71.16791	1.1
73.02962	1.0
78.95926	1.3
85.02974	3.2
87.00897	1.5
89.02474	2.2
93.03467	5.4
94.66057	0.5
96.96025	13.3
96.96977	2.6
101.02460	2.0
108.02201	2.2
112.53782	0.6
113.02483	0.8
121.02968	5.5
122.03738	3.2
123.00935	0.9
123.04532	0.7
125.02451	0.7
132.02179	0.8
133.02989	2.5
134.03754	1.1
135.04555	1.7
136.01677	79.4
137.02119	2.0
141.09300	0.7
143.03510	0.6
149.04596	1.7
149.06076	0.9
151.04024	100.0
152.04350	2.2
159.04559	0.9
160.01654	1.4
160.05331	1.0
161.02441	2.5
162.03249	1.7
163.04047	1.6
173.04562	2.2
175.04015	0.7
175.07661	1.6
177.01909	0.9
177.05687	0.8
179.03572	1.7
191.05630	20.1
193.05157	0.7
293.08841	0.6
311.12823	1.2
342.11078	5.1
351.07300	1.5
357.13455	93.6
358.13849	4.3
369.09842	4.2
459.50372	0.7
511.15894	0.6
543.31982	0.7
561.16010	1.0
561.31842	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	561.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55276	0.5
50.76621	0.5
57.03448	0.5
58.00614	0.6
59.01384	12.8
61.98836	1.0
66.69780	0.5
71.01389	9.1
71.56110	0.5
73.02947	1.6
74.69463	0.5
77.03985	0.5
78.95486	1.0
78.95915	13.5
79.95748	3.0
85.02951	2.0
87.00906	1.8
89.02450	12.3
93.03466	1.7
95.05048	0.7
96.96023	100.0
96.96946	23.1
99.04536	1.5
101.02457	7.8
105.03476	3.9
111.04539	1.0
113.02461	2.0
119.03508	1.1
124.50227	0.5
125.02458	6.3
131.03514	3.8
133.02975	20.9
134.03741	1.5
135.04517	2.9
137.02464	1.5
145.01413	0.6
149.04576	12.9
151.07675	0.7
155.03526	1.1
161.02524	0.7
161.04602	0.9
173.04544	4.1
174.97481	0.5
177.01933	15.7
178.02742	2.7
179.03471	1.5
187.02507	3.5
191.05626	5.5
209.08168	0.8
223.13475	1.0
240.26140	0.5
243.15004	0.6
267.12540	1.4
343.11801	0.5
351.07242	0.8
354.03931	0.5
355.04822	0.6
357.09790	1.3
369.09839	0.9
387.10858	1.6
406.42264	0.7
499.33087	0.7
501.23383	1.1
517.34253	1.3
561.16693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.5
69.30186	1.1
69.30592	4.2
71.01392	4.1
72.99316	1.0
73.02962	0.8
75.66573	0.5
78.95911	28.8
79.95727	2.6
83.01391	0.7
85.02964	1.3
87.00873	1.0
89.02447	3.0
91.12339	0.5
93.03465	3.3
96.96014	100.0
96.96967	47.1
98.19776	0.5
99.00881	1.2
101.02446	1.8
109.02945	0.8
111.00902	2.0
111.04505	0.7
113.02456	0.8
119.03459	0.7
123.04537	0.9
125.02393	0.6
129.01979	0.6
134.03761	3.5
135.04529	2.5
144.62389	0.5
149.04539	0.5
149.06120	1.2
155.03436	0.6
159.04454	0.6
161.02356	0.8
161.04675	0.6
163.04068	0.6
173.04576	6.0
179.05449	0.6
191.05637	4.3
267.06601	0.8
283.09882	0.9
289.02618	1.0
343.11978	1.1
367.10068	0.6
387.06424	1.0
387.10898	11.2
387.23895	0.6
388.11252	0.7
413.30640	0.6
527.64807	0.6
561.16156	1.4
561.32245	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	561.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45362	0.3
59.01388	2.4
69.25792	1.6
69.26216	1.0
70.85351	0.3
71.01386	1.8
73.02946	0.4
78.95914	20.1
79.95757	2.9
85.02950	0.3
87.00853	0.4
89.02451	2.2
91.19222	0.3
93.03450	0.4
96.96013	100.0
96.96962	38.4
101.02439	1.1
113.02448	0.3
131.03500	0.9
149.04602	1.7
173.04585	0.7
191.05672	1.2
257.60712	0.3
271.02374	0.4
300.02802	0.5
463.08411	0.5
494.48474	0.3
499.32034	0.3
533.88989	0.3
542.13318	0.3
561.18787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3261
Annotation	Montanin
Peak:m/z	Relative Intensity
55.49371	3.1
56.30097	3.0
59.01385	56.1
61.98835	35.0
64.69358	3.2
64.77244	3.2
69.61641	8.4
69.62067	13.1
71.01391	31.5
73.02950	8.7
74.77959	3.8
78.95924	9.2
83.01398	4.0
85.02958	10.6
87.00891	10.6
89.02449	28.2
93.03484	11.7
98.20678	3.8
101.02440	23.2
110.98541	5.8
111.00882	5.7
111.04546	6.0
113.02493	11.3
119.03520	13.2
125.02401	5.9
131.03543	4.6
133.02925	4.2
135.04530	4.8
137.02486	3.4
161.04541	6.3
173.04570	20.5
179.05627	5.6
191.05614	20.9
205.76315	3.4
214.02570	4.2
233.06139	3.7
241.01334	4.5
242.02226	14.2
247.82669	3.2
270.01791	15.2
281.72379	3.7
298.01227	10.3
335.22195	6.5
336.22513	6.0
337.22943	6.6
379.24985	3.8
396.08478	11.0
521.33209	9.4
523.34851	35.7
551.28851	3.7
559.14490	49.8
559.32416	100.0
560.31683	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	559.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29269	0.2
55.01878	0.3
57.03456	0.5
59.01385	100.0
60.01718	1.6
61.01817	0.9
61.98844	1.3
67.17812	0.2
67.76521	0.2
71.01390	4.0
72.99327	0.9
73.02959	1.2
74.55522	0.3
82.95428	0.4
83.01392	0.5
85.02971	1.7
87.00899	0.4
89.02452	1.3
96.96057	0.4
99.00918	0.7
101.02442	2.7
113.02465	1.5
119.03529	0.4
129.69168	0.3
131.03526	0.7
149.04613	0.9
151.00383	0.3
161.04633	0.7
168.20137	0.3
191.05780	0.3
205.16107	0.4
207.75208	0.3
219.35941	0.3
293.08942	0.3
355.28699	0.3
447.25256	0.3
447.75351	1.7
455.26624	0.3
455.35367	0.5
456.35800	0.6
499.26251	0.5
499.32932	2.2
513.26953	1.5
515.28485	1.5
517.33838	0.9
559.33826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85609	0.4
57.03451	0.4
57.29212	0.4
59.01385	14.8
61.98817	0.6
64.34695	0.4
67.01891	0.5
69.71331	2.1
71.01375	2.0
73.02953	0.4
73.75835	0.4
75.85766	0.4
76.74067	0.4
78.95913	6.5
79.95741	3.0
85.02946	0.8
87.00865	0.4
89.02464	0.8
93.03466	2.7
94.18533	0.3
96.96021	100.0
96.96928	9.9
97.06638	0.4
98.20635	0.6
101.02438	1.3
111.04544	0.8
113.02460	0.6
113.92609	0.5
114.93446	2.3
122.30255	0.4
125.02416	0.7
129.40222	0.4
137.02359	0.4
149.02461	1.5
155.03520	0.5
161.02534	0.5
161.04555	0.5
164.04843	1.5
173.04555	12.2
178.99858	0.5
191.05670	0.7
223.06053	1.8
311.50513	0.4
353.06583	2.8
375.23904	0.9
397.11343	3.8
403.72266	0.4
417.25052	1.5
523.34680	0.6
559.14819	2.6
559.32117	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24710	2.2
55.01875	4.5
57.03455	8.4
58.00594	5.5
59.01387	100.0
61.98838	9.8
69.03464	3.9
69.40952	5.2
69.41359	10.9
71.01388	86.3
71.05048	3.7
72.99315	5.8
73.02945	21.5
78.95923	3.6
81.03486	4.1
83.01394	8.1
83.05064	6.1
85.02958	29.5
87.00902	16.4
87.04514	3.8
89.02453	84.4
93.03467	8.3
95.01390	6.0
96.96014	13.4
97.02961	5.5
97.06613	3.6
99.00925	6.2
99.04535	4.9
101.02450	63.2
107.01391	3.0
109.02953	4.0
111.00893	3.1
111.04552	2.8
111.08157	2.6
113.02465	31.1
116.92872	5.7
119.03522	40.0
125.02453	36.6
125.09727	2.7
127.07626	4.8
131.03511	9.4
137.02519	3.6
139.04037	4.8
143.03532	8.3
149.04556	7.0
151.00354	6.6
151.07642	13.8
152.01248	3.6
155.03584	2.8
161.04541	13.9
173.04590	8.6
175.07655	32.3
178.99904	5.2
179.05626	19.6
187.02493	6.1
187.95766	2.2
191.05602	11.6
217.95139	2.2
221.06682	19.0
263.07608	8.5
323.09814	39.6
335.21924	2.9
343.86423	3.1
353.06720	45.5
354.07263	2.5
385.22437	3.4
405.22137	3.1
431.18909	2.7
443.31635	2.2
464.74808	2.4
467.30081	5.7
478.25018	25.9
478.75256	6.4
485.31207	9.2
499.18045	4.3
515.32202	9.2
521.33215	18.1
537.62689	2.7
559.14709	36.3
559.31458	77.0
560.15106	3.9
560.31799	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	559.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88857	0.6
57.03452	2.1
58.40746	0.6
59.01383	16.6
61.98839	4.7
69.19745	0.6
71.01393	11.5
71.05033	0.9
71.55256	0.8
72.99327	0.7
73.02948	2.8
83.01405	1.6
83.05048	0.9
85.02943	3.3
87.00890	2.5
87.04544	1.1
87.05093	0.7
87.89678	0.6
89.02444	8.0
93.03474	2.1
95.01369	0.8
96.96011	2.3
97.06577	0.8
99.00877	0.8
99.04533	1.0
99.92588	0.9
101.02446	5.9
103.59036	0.6
105.91546	0.5
111.04551	1.2
111.08111	0.7
113.02456	2.7
114.36072	0.6
115.92072	1.6
116.92883	6.0
117.92877	0.8
119.03524	2.4
121.02970	100.0
122.03311	0.7
123.08167	0.9
124.84666	0.5
125.02464	1.5
126.90365	0.6
127.07663	0.8
131.03540	1.9
139.07692	0.6
141.09270	1.3
143.03490	1.5
149.04507	1.5
151.00415	3.1
151.07625	0.6
152.01123	1.1
152.08096	0.6
161.04532	1.1
169.39043	0.6
173.04555	2.2
178.99936	2.2
179.05542	1.1
191.05630	3.7
201.11198	0.9
239.10718	0.7
293.08743	1.2
336.06534	0.8
339.72183	0.8
345.06250	0.7
345.60074	0.6
353.06702	11.8
354.06982	0.7
361.16580	1.9
377.14490	2.1
379.08490	0.8
397.09625	0.8
497.31564	0.9
515.32324	1.1
521.33527	2.1
522.34064	0.8
523.22253	3.1
523.34698	1.8
558.31177	0.8
559.14764	12.2
559.32813	17.3
560.15259	0.9
560.32037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00608	0.6
57.03452	4.2
58.11684	0.6
58.45780	0.5
59.01380	11.8
61.39952	0.6
61.98840	2.9
63.02401	7.8
63.97361	0.6
65.00324	9.2
69.75126	1.3
69.75538	2.5
71.01383	5.2
73.02935	3.0
81.03490	0.7
83.01392	8.9
83.05042	1.4
85.02956	2.2
87.00884	1.9
88.98805	1.6
89.02453	4.7
93.03460	1.9
95.01399	1.2
96.96037	1.4
98.19946	0.7
99.04522	1.6
101.02448	4.1
107.01395	19.7
109.02953	1.1
109.06622	1.0
111.00845	1.2
111.04538	1.3
113.02490	1.5
119.03481	1.4
121.02956	7.7
124.01665	7.1
125.02457	17.3
137.02440	1.7
141.09210	4.4
149.04523	0.7
151.00375	69.3
151.07607	0.8
152.01158	14.6
153.01923	4.6
159.04504	1.2
161.04607	0.9
163.00397	1.1
169.01451	6.8
172.05368	0.8
173.04561	2.5
173.06091	2.2
177.01935	2.7
178.99869	100.0
180.00235	1.7
181.01447	2.1
185.06094	0.7
187.03990	2.3
187.07628	2.1
188.04758	0.8
189.01920	0.9
189.05666	3.0
190.02625	1.1
191.05589	3.3
197.06111	1.0
199.07620	2.1
200.04800	3.8
200.07622	0.7
201.05518	1.8
212.04800	0.7
215.03909	1.0
215.07144	24.7
216.07690	0.8
217.08694	4.6
225.05605	1.3
226.06302	0.9
227.07112	3.5
232.03728	1.4
241.05058	3.3
241.08708	1.1
242.05878	1.4
243.02855	0.8
243.06560	2.3
252.07744	0.8
253.05101	5.4
253.08664	0.7
254.05792	1.5
255.03036	1.6
256.55646	0.6
266.06039	0.6
267.06573	1.1
270.05261	1.0
271.02533	3.0
271.06143	8.2
281.07895	0.8
291.06635	1.0
292.07376	1.0
293.00656	0.7
293.04877	1.2
293.08282	3.7
294.05466	1.0
299.01883	1.5
300.02740	8.4
305.08301	0.9
309.07687	1.1
311.02069	0.6
311.09412	1.0
321.03903	0.9
322.04861	2.0
323.09369	0.7
325.07089	0.8
333.07724	3.7
335.09320	1.2
336.06451	1.0
350.04330	0.7
351.08731	1.3
353.06671	15.0
361.07159	1.4
369.09818	0.8
378.07352	1.5
379.08206	8.8
380.08768	0.9
385.26187	0.9
397.09277	70.0
398.09451	3.2
433.11313	3.6
441.07880	0.8
471.33179	0.8
515.32166	1.9
521.33179	3.0
522.33698	1.0
523.34607	2.8
558.30566	1.4
559.14587	61.8
559.31903	22.1
560.15057	4.6
560.31189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80819	0.9
55.01904	1.2
57.03444	4.7
59.01385	14.1
61.98845	5.4
63.02400	9.0
65.00322	9.4
71.01387	7.9
71.55830	0.9
72.03676	0.9
72.99313	1.4
73.02947	2.1
76.79534	0.9
83.01391	10.2
83.05028	1.4
85.02962	2.3
87.00871	1.9
87.03158	0.9
89.02441	5.3
93.03450	1.6
95.01393	1.8
96.95998	1.8
99.00887	1.0
99.69267	1.0
101.02446	6.5
102.82264	0.9
107.01398	24.6
113.02470	2.8
115.92160	1.0
116.92846	4.8
124.01656	7.9
125.02445	14.9
130.14059	0.9
135.04497	1.3
137.02448	2.6
139.00381	0.9
151.00374	80.5
152.01164	16.1
153.01918	4.7
159.04494	1.3
165.01926	1.2
169.01459	5.8
173.04597	2.2
173.06075	3.1
177.01871	2.2
178.99867	100.0
180.00226	1.4
187.04025	1.6
187.07626	2.9
188.04764	1.2
189.05539	4.3
190.02771	1.4
191.05621	1.4
199.07623	3.1
200.04712	4.8
201.05614	1.7
203.03380	1.5
215.07123	26.8
216.07780	2.3
217.08684	3.7
225.05589	2.2
227.07048	4.5
232.03854	1.5
241.05086	4.2
242.05884	1.6
243.06555	3.0
253.05057	3.5
254.05881	1.9
255.02945	1.8
257.40433	1.0
264.04480	1.3
265.08551	1.3
267.06656	1.8
269.04297	1.2
269.08292	1.2
270.01724	1.1
270.05075	1.1
271.02551	4.4
271.06125	6.4
280.03806	1.2
291.06778	1.6
293.05109	1.2
293.08228	4.1
299.02078	2.0
300.02670	7.9
311.09387	2.2
321.04025	1.1
322.04733	1.6
322.08884	1.0
325.07144	1.0
333.07510	4.6
336.06360	1.3
351.08783	2.1
353.06607	10.8
361.07190	3.2
378.07489	2.3
379.08212	10.4
396.08450	1.1
397.09283	75.2
398.09686	3.1
405.21790	1.2
408.86099	1.1
433.11453	4.5
478.24976	5.9
515.31549	1.3
521.33032	2.8
523.34637	5.6
559.14630	68.3
559.32733	22.9
559.77637	1.6
560.14813	3.8
560.32532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93363	0.3
57.03455	1.5
59.01384	8.8
60.18670	0.3
60.99302	0.6
61.98835	3.2
67.01897	3.8
69.03450	0.6
71.01388	5.6
73.02940	1.3
78.95905	1.4
79.95743	0.6
81.03433	0.6
83.01401	0.8
83.05035	1.2
85.02953	1.3
87.00877	1.0
89.02457	2.4
93.03468	22.2
94.03801	0.5
95.01345	0.3
96.96022	22.7
96.96926	2.4
98.20676	0.8
99.00895	0.5
99.04504	0.6
101.02451	2.2
109.02950	0.8
111.00894	0.9
111.04518	4.6
113.02460	1.7
113.92650	0.4
114.93453	0.7
119.03492	0.7
119.67451	0.3
121.02954	1.5
125.02477	1.5
127.04020	0.6
128.38200	0.3
133.03006	0.8
135.04500	1.0
137.02452	4.6
147.04503	0.8
149.02448	10.4
150.02661	0.3
151.00398	0.9
151.07645	0.7
152.01158	0.5
155.03529	4.5
161.02428	1.3
164.04800	9.9
173.04556	100.0
174.04890	1.3
178.99866	0.8
179.03548	0.7
179.07130	0.8
185.59973	0.3
187.02544	0.3
191.05598	1.5
208.03772	0.4
223.06128	13.6
224.06421	0.6
330.55060	0.4
335.07858	0.4
353.06668	6.2
361.07159	0.5
379.08514	0.5
397.11407	30.5
398.11829	1.4
478.75229	0.4
515.32520	0.5
521.33380	1.2
522.09808	0.3
523.34583	1.3
558.30963	0.7
559.14655	6.0
559.31610	10.3
560.15149	0.5
560.31580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3104
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
50.68207	2.9
56.72792	2.6
58.11316	2.6
59.01380	9.3
60.39592	2.5
61.98825	11.4
69.39536	23.5
71.01385	5.9
71.38829	2.5
73.02962	4.6
76.54878	3.2
86.68872	2.6
88.98798	4.0
92.50027	2.9
96.96011	7.1
96.96992	2.8
101.06088	3.0
121.52072	2.8
125.02471	9.2
151.07759	2.7
151.62740	2.7
201.11302	3.3
205.44733	2.9
212.29126	2.5
215.06897	2.7
374.08389	2.8
414.25458	2.9
513.30450	4.0
521.33258	45.6
557.30927	100.0
558.31226	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	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
60.71672	0.3
61.98835	100.0
65.90237	0.4
69.22231	0.6
69.22636	2.9
71.01389	0.4
73.02981	0.4
78.95924	1.5
90.91592	0.4
96.96043	0.6
98.20610	0.7
99.00890	0.6
116.92885	0.4
117.99873	0.3
128.98410	0.4
235.57001	0.4
255.23215	3.1
256.23730	2.4
257.23959	1.5
258.24265	1.2
480.31339	1.0
481.31488	0.7
482.31757	0.8
483.31723	2.6
557.38458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.4
67.10096	0.3
68.62936	0.3
69.28660	3.0
71.01378	1.1
73.02948	0.5
78.95914	5.9
79.95752	3.1
85.02959	0.6
89.02498	0.3
96.96022	100.0
96.96928	10.0
99.79756	0.3
101.02441	0.8
109.67160	0.3
113.02450	0.4
113.92654	0.5
114.93412	1.6
116.92866	0.4
125.02466	0.8
138.73862	0.3
147.77644	0.3
148.03580	0.3
373.22626	0.9
415.23450	1.1
471.26901	0.3
545.11890	0.3
557.29645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	2.7
59.01381	28.2
61.98823	3.5
64.82390	1.7
66.30700	1.8
69.35241	6.1
69.35661	7.6
71.01392	37.1
72.99321	2.4
73.02949	8.0
75.00869	2.2
78.95909	4.9
79.95730	2.2
80.05054	1.5
83.01385	4.1
85.02977	11.0
87.00883	4.7
89.02450	26.4
93.03420	2.1
95.01399	1.7
96.96016	26.1
96.96978	3.7
97.02934	1.7
98.95604	10.0
98.96487	1.9
99.00851	4.3
99.92573	9.5
101.02456	22.1
111.00894	2.3
113.02500	10.0
115.92078	13.4
116.92866	4.7
119.03452	2.4
119.04998	2.6
125.02447	5.3
130.94734	1.7
131.03555	8.0
134.03728	1.9
135.04532	3.3
149.04527	6.7
151.00349	2.2
151.03943	2.4
161.02490	4.5
161.04570	8.7
163.03969	3.5
165.01921	4.4
180.04286	2.6
191.05629	14.3
195.06645	2.7
203.03261	7.0
203.12833	6.1
233.06596	3.2
293.08759	3.0
298.56555	1.8
347.16791	2.2
365.08783	2.2
365.18188	8.5
391.01126	3.9
459.14215	2.2
463.59631	2.1
497.22415	100.0
498.22781	5.8
557.05786	5.2
557.21954	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	557.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80014	0.3
59.01386	0.7
60.35884	0.3
61.98827	1.2
65.78983	0.2
70.30624	0.7
70.30975	0.3
71.01409	0.4
72.99300	0.3
74.90113	0.2
75.00883	1.9
78.95908	18.3
79.95740	2.9
83.01370	0.3
85.02927	0.3
87.00909	0.3
89.02479	0.3
93.03416	0.3
96.96013	100.0
96.96963	32.5
101.02444	0.3
125.02401	0.3
132.92291	0.2
154.16772	0.3
162.74417	0.3
163.06133	0.3
165.01895	0.3
191.05600	0.8
191.33463	0.2
195.06657	0.3
203.07104	0.3
206.92227	0.2
209.04663	0.4
213.05493	0.3
219.06810	0.4
279.94351	0.2
353.08658	0.6
395.07416	0.6
557.25098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.1
61.98835	76.4
65.77871	8.5
66.07007	7.6
67.01917	11.2
69.19745	52.5
69.20179	31.3
71.01387	33.8
73.02956	18.9
73.92357	8.2
78.05998	10.0
78.91946	8.2
78.95925	19.3
80.59787	8.4
81.03503	10.0
82.95423	17.5
85.02966	15.4
88.98800	18.4
89.02455	30.9
93.03436	13.5
96.96017	99.1
98.20771	14.5
99.04543	13.2
99.92592	13.9
101.02448	27.0
106.26482	8.4
109.02954	12.1
115.92056	15.6
116.92878	98.5
120.43903	8.2
125.02470	89.8
127.07623	8.9
137.02412	11.2
149.04486	9.6
149.06056	11.9
151.07571	12.1
161.04570	9.5
169.36076	7.8
173.04584	29.7
177.05569	26.4
178.02379	8.3
189.05609	19.5
191.05629	22.0
199.17732	9.7
221.04581	10.7
311.07825	43.7
339.41922	10.0
383.20612	17.2
491.19186	100.0
503.19290	91.0
521.20258	20.2
557.23376	33.5
557.31335	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98836	100.0
69.01979	0.6
69.32343	1.3
69.32748	4.0
69.89079	0.6
73.19521	0.6
90.34815	0.6
97.06612	1.2
130.25082	0.7
270.99933	0.7
405.31351	1.1
407.33136	1.8
444.21057	0.7
451.32379	2.0
453.33746	7.7
454.33701	1.3
454.70132	0.6
455.34634	0.7
471.34796	4.1
474.36035	1.1
497.31934	0.8
556.32483	77.4
557.32678	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	556.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98834	100.0
69.44965	5.3
70.16584	0.6
75.77742	0.6
96.43031	0.8
122.72688	0.8
132.65271	0.8
197.27008	0.8
201.38699	0.8
216.55544	0.9
228.62340	0.8
268.15399	0.8
279.23407	1.4
280.83493	0.7
297.55527	0.8
305.56921	0.8
318.54428	0.9
405.13217	0.7
471.34799	10.3
472.35205	1.3
474.35950	1.6
502.22656	0.7
556.32495	64.3
557.32800	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	555.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03447	3.4
58.00583	0.6
59.01385	14.4
61.98831	0.8
67.01885	0.5
71.01385	21.1
71.05016	0.4
72.99303	1.7
73.02954	5.8
74.00197	0.4
75.00904	0.8
78.95911	0.8
81.03471	0.4
83.01396	3.8
83.05029	0.9
85.02959	6.2
87.00871	1.2
89.02451	8.1
93.03462	1.2
94.52723	0.4
95.01387	1.6
95.05014	1.5
96.96011	1.4
96.96986	0.5
97.02995	0.5
97.06606	4.0
98.20675	1.1
99.00896	1.6
99.04524	1.7
99.08146	0.5
101.02451	13.3
104.30612	0.4
109.06587	1.9
111.00921	2.5
111.04539	0.5
113.02433	4.3
113.06093	2.2
119.03519	1.6
121.02952	1.2
125.02466	2.5
129.01979	0.5
131.03499	0.6
134.03735	0.6
135.04561	0.6
137.02391	0.6
143.03531	0.4
143.10774	1.7
149.02423	0.8
149.04675	0.4
149.06094	0.8
150.03197	1.0
159.03062	0.6
161.04536	1.0
162.03224	1.0
165.01920	1.3
165.05595	0.5
170.40652	0.5
173.04570	1.1
177.05632	0.5
179.03613	0.5
179.05458	0.7
179.06973	0.5
181.23016	0.4
191.05634	1.8
195.06619	0.8
204.04323	3.2
219.06653	2.0
229.18114	3.0
249.07654	3.7
301.24155	0.5
331.24890	7.7
343.12051	0.7
343.24908	2.0
344.12158	0.7
345.12430	1.3
375.27493	1.3
386.86823	0.4
391.23306	0.6
393.28580	7.3
457.39740	0.5
493.30170	1.8
495.25024	0.6
527.88147	0.5
537.32758	1.2
555.21362	4.4
555.33881	100.0
556.34167	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	555.3695
Annotation	CHEBI:69627
Peak:m/z	Relative Intensity
57.03453	100.0
58.03801	1.7
59.01390	3.9
61.98834	12.2
69.47128	9.8
70.32166	1.2
78.95936	2.5
82.95473	1.6
83.01401	8.0
96.96978	2.8
98.66829	1.3
101.02456	30.4
104.22543	1.4
115.92091	1.5
118.17143	1.3
143.50841	1.4
164.42995	1.4
167.56418	1.5
170.18503	1.3
238.75612	1.4
293.27029	1.4
391.30478	2.3
407.33200	2.7
441.33658	7.6
443.34683	2.7
453.33765	71.0
454.34119	2.5
457.33209	8.5
471.34833	6.4
473.36505	12.3
555.37067	64.6
556.31421	2.1
556.38599	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	555.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51088	0.9
50.75591	0.8
53.16171	0.9
53.70499	0.9
57.03445	1.6
58.42610	0.8
61.98852	1.1
63.21642	0.9
69.77796	0.9
70.17583	0.9
70.17915	4.5
73.38422	0.8
94.92542	2.9
115.92094	4.6
136.28734	0.9
218.68951	1.0
221.19115	25.5
221.21246	1.7
225.22198	2.8
239.20125	1.3
253.21417	1.0
265.18109	18.1
271.22806	43.6
272.17001	1.0
272.23166	2.0
283.19138	27.1
283.67596	1.0
284.19342	0.9
301.20328	3.4
302.49796	1.1
402.51593	1.1
437.30521	3.1
537.41559	2.1
555.28284	3.6
555.42706	100.0
556.43243	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	555.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03447	3.4
58.00583	0.6
59.01385	14.4
61.98831	0.8
67.01885	0.5
71.01385	21.1
71.05016	0.4
72.99303	1.7
73.02954	5.8
74.00197	0.4
75.00904	0.8
78.95911	0.8
81.03471	0.4
83.01396	3.8
83.05029	0.9
85.02959	6.2
87.00871	1.2
89.02451	8.1
93.03462	1.2
94.52723	0.4
95.01387	1.6
95.05014	1.5
96.96011	1.4
96.96986	0.5
97.02995	0.5
97.06606	4.0
98.20675	1.1
99.00896	1.6
99.04524	1.7
99.08146	0.5
101.02451	13.3
104.30612	0.4
109.06587	1.9
111.00921	2.5
111.04539	0.5
113.02433	4.3
113.06093	2.2
119.03519	1.6
121.02952	1.2
125.02466	2.5
129.01979	0.5
131.03499	0.6
134.03735	0.6
135.04561	0.6
137.02391	0.6
143.03531	0.4
143.10774	1.7
149.02423	0.8
149.04675	0.4
149.06094	0.8
150.03197	1.0
159.03062	0.6
161.04536	1.0
162.03224	1.0
165.01920	1.3
165.05595	0.5
170.40652	0.5
173.04570	1.1
177.05632	0.5
179.03613	0.5
179.05458	0.7
179.06973	0.5
181.23016	0.4
191.05634	1.8
195.06619	0.8
204.04323	3.2
219.06653	2.0
229.18114	3.0
249.07654	3.7
301.24155	0.5
331.24890	7.7
343.12051	0.7
343.24908	2.0
344.12158	0.7
345.12430	1.3
375.27493	1.3
386.86823	0.4
391.23306	0.6
393.28580	7.3
457.39740	0.5
493.30170	1.8
495.25024	0.6
527.88147	0.5
537.32758	1.2
555.21362	4.4
555.33881	100.0
556.34167	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	555.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82249	0.9
55.00811	0.8
55.48671	0.8
57.43025	0.9
59.01374	1.3
61.98835	6.9
69.54424	0.9
73.43742	0.9
88.51474	0.9
96.95970	1.6
98.19843	1.6
99.92599	10.5
100.93387	4.4
115.92088	100.0
116.92106	2.0
116.92873	3.1
120.51791	1.0
132.92351	1.2
153.79967	0.8
162.70552	0.9
385.66522	0.9
455.35236	4.4
457.35706	2.4
555.27869	69.7
556.28314	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	555.2813
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
53.36118	0.4
57.03471	0.4
59.01389	0.5
61.98830	2.4
65.27233	0.3
69.62986	1.4
69.63397	0.7
71.01395	2.5
73.02942	0.6
73.74757	0.4
78.98595	2.4
79.95740	3.7
80.96525	24.6
81.03455	0.4
85.02955	1.6
87.00893	0.9
94.98093	6.0
96.96024	7.8
96.96967	0.6
97.02975	0.9
98.20700	0.4
99.92596	13.2
100.92675	0.5
100.93384	1.7
101.02464	0.7
106.98101	1.1
115.92089	31.8
116.92107	0.6
116.92872	1.3
118.89996	0.6
118.94209	1.3
122.97571	1.1
123.80453	0.4
125.02464	1.3
127.04020	0.6
134.97607	1.8
136.99129	0.8
141.11945	0.4
148.99168	2.0
152.61975	0.3
152.98627	2.3
164.98631	4.6
169.90164	0.4
186.76291	0.4
197.59309	0.4
206.99811	0.9
225.00758	6.1
255.23306	1.4
262.33182	0.4
299.04416	1.2
400.34326	0.4
455.35403	2.1
457.35980	1.0
540.25610	1.2
555.28156	100.0
556.28467	8.1
569.25525	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45211	0.6
55.01874	1.5
57.03449	2.5
58.00599	2.3
59.01384	54.2
60.01719	0.8
61.08825	0.7
61.98842	3.9
71.01387	34.8
71.22787	1.6
71.23132	0.8
72.99302	2.7
73.02956	2.3
79.49973	0.7
83.01402	2.6
85.02959	8.4
87.00880	1.1
88.98813	1.5
89.02450	37.7
93.03459	0.7
95.01402	2.9
96.96025	1.8
97.06617	0.8
99.00880	1.1
99.04597	0.8
101.02450	23.2
102.02771	0.7
113.02458	13.5
119.03508	13.8
121.20055	0.8
125.02502	1.4
131.03513	1.8
137.02357	1.1
143.03532	1.5
149.04607	0.9
149.77257	0.7
150.03255	0.7
161.04610	1.8
165.05606	2.1
166.06343	0.8
171.28349	0.7
173.04558	0.7
179.03555	0.9
179.05649	3.5
184.03409	0.7
191.05647	2.4
235.57056	0.7
246.90698	0.9
296.65533	0.7
330.97690	0.9
331.24777	0.7
373.13461	1.1
375.20343	2.9
393.21472	1.2
393.28717	1.5
415.84998	0.8
555.26666	100.0
555.33929	11.6
556.26935	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	555.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74082	0.3
58.00617	0.4
58.26129	0.4
59.01389	12.0
61.98852	0.9
64.24296	0.3
65.00400	0.3
71.01402	1.9
73.02948	1.5
75.03905	0.4
78.95925	4.0
79.95749	3.1
83.01429	0.4
83.05032	0.6
85.02969	1.2
87.00935	0.4
88.98812	1.0
89.02435	1.1
91.84705	0.4
93.03511	0.4
96.96023	100.0
96.96916	5.2
98.19722	0.5
101.02455	1.5
113.02452	0.8
114.93418	1.6
116.92833	1.2
129.30174	0.4
131.70676	0.4
157.08757	0.4
161.04478	0.7
188.39818	0.4
191.05608	1.0
337.10834	0.5
413.21973	0.9
519.32196	0.4
537.27246	0.4
555.28296	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2223
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
59.01388	42.6
61.98823	10.0
69.38890	27.3
71.01388	25.8
72.99296	5.6
73.02945	7.4
82.95411	13.3
85.02959	3.9
87.00883	4.1
88.98817	6.2
89.02448	31.4
93.03425	4.5
94.81522	3.7
95.01408	3.4
96.96033	7.0
101.02441	21.1
109.02975	3.5
113.02437	9.5
119.03500	9.3
125.02448	9.2
135.04510	3.8
149.02446	8.1
149.04575	6.3
150.03148	4.1
160.39842	2.8
161.04483	3.6
165.05569	3.1
166.06329	7.9
173.04572	5.1
179.05540	4.9
181.08641	9.0
191.05650	17.0
195.06601	3.2
217.36703	3.3
253.52933	3.7
263.50543	3.7
373.13052	7.7
393.28281	3.6
446.56491	3.6
495.31577	7.1
516.04279	3.8
517.22198	3.9
519.24445	10.0
555.21832	100.0
555.33655	39.3
556.21857	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	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44567	0.4
59.01387	2.0
61.98838	5.3
69.48492	0.9
69.48893	2.1
76.93931	0.4
78.95908	5.4
85.69689	0.4
86.90495	0.4
95.16736	0.4
104.31833	0.4
136.44395	0.4
136.67406	0.4
141.28841	0.4
147.45502	0.4
152.99580	0.8
165.03880	0.4
168.04324	1.3
181.77696	0.4
214.37151	0.3
224.06889	0.9
242.08002	2.3
261.22385	0.5
279.23306	100.0
280.23657	3.6
307.03424	0.4
352.32816	0.4
454.33759	0.8
472.35135	1.9
504.31000	34.2
505.31134	2.2
554.30524	1.3
554.36383	1.5
555.37994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.5
61.98838	2.6
64.74490	0.2
68.80594	0.2
68.99539	0.4
70.96741	0.2
71.86554	0.2
78.95914	19.3
85.38372	0.3
96.96979	0.5
109.41739	0.2
112.98576	0.3
152.99629	2.4
164.88901	0.2
168.04315	3.0
176.43001	0.2
200.51817	0.2
224.06949	7.9
229.12843	0.2
242.08029	1.8
243.02803	0.2
255.23314	100.0
256.23654	3.7
303.03967	0.3
417.34152	0.3
471.34854	0.3
472.35205	1.9
473.36362	1.0
480.30978	56.4
481.31320	3.2
487.02838	0.3
554.35504	1.0
555.36713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43710	1.0
57.03438	1.5
58.76638	1.3
59.01383	10.1
60.45973	1.4
61.98830	1.3
68.04749	1.0
69.39476	2.6
69.39885	6.0
71.01392	11.1
73.02963	2.3
76.42216	1.1
81.58965	1.1
83.01420	1.7
85.02968	4.8
87.00891	1.7
88.73130	1.4
89.02436	5.5
93.03484	3.1
95.01397	3.0
96.96030	1.3
97.02975	1.2
101.02471	5.6
107.05077	1.3
113.02460	4.3
121.02985	8.6
122.03755	7.7
123.00886	6.4
123.04557	1.3
125.25773	1.0
134.03630	1.1
135.04469	1.7
137.02438	7.6
139.00401	2.0
139.04059	1.6
149.02481	2.7
149.04527	1.7
150.03242	60.8
151.03667	1.5
152.79565	1.2
153.01912	1.1
153.05615	12.5
162.03206	2.0
165.05585	100.0
166.05910	3.3
166.99849	3.8
169.49474	1.1
177.05624	3.6
180.04196	2.0
181.01442	6.1
182.02238	8.7
183.02979	4.7
191.05681	2.6
195.06656	3.4
196.03757	1.6
197.04552	28.6
205.12219	1.6
213.07762	1.6
225.04077	1.1
311.04517	1.1
326.06384	7.2
327.07321	1.5
341.08795	88.1
342.09125	3.1
387.21429	1.1
393.17816	1.5
448.06094	1.5
517.22876	3.9
555.16315	32.1
555.33618	7.5
556.17670	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	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
61.98839	4.1
69.03467	9.0
69.68093	6.3
71.01389	2.4
71.05029	2.9
82.13506	1.3
95.05061	1.2
97.06569	1.3
98.20673	1.1
99.92554	1.3
101.30026	1.2
123.08170	2.5
125.09711	4.7
149.09778	1.4
151.11285	5.7
153.12851	1.7
161.09724	13.8
179.09177	1.5
179.10785	41.2
197.11844	100.0
198.12115	2.1
211.07973	1.4
223.09830	7.2
223.84509	1.1
241.10838	17.3
255.23303	99.4
256.23590	3.5
297.13428	10.5
315.14450	20.0
337.05713	1.2
553.37494	99.4
554.37695	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35244	0.8
59.01389	1.3
61.98837	7.2
69.96285	1.9
69.96695	3.1
78.95907	24.2
78.96332	1.7
96.96017	1.4
98.20660	1.3
123.75761	0.9
152.99580	3.1
154.27045	0.9
168.04300	3.4
210.80971	0.9
224.06920	9.1
242.08157	1.9
279.23306	100.0
280.23642	4.0
454.33902	3.4
471.34763	7.0
472.35138	32.3
473.35318	1.1
504.30981	70.7
505.31302	3.4
553.34991	2.7
554.35590	23.1
555.36322	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	553.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98834	9.8
70.18421	3.2
78.95892	1.5
87.23130	0.8
91.51830	0.7
96.95998	0.7
96.96966	1.2
97.06610	4.1
191.05431	0.9
316.09479	0.8
389.28702	1.0
391.30130	7.1
405.31708	4.8
407.33331	11.0
407.38437	1.4
423.29343	1.2
433.63342	0.8
441.33893	2.5
451.32190	14.3
452.32458	1.3
453.33762	71.8
454.34048	5.6
455.31519	0.8
471.34818	67.1
472.35266	4.9
517.31744	1.1
553.35162	100.0
554.35846	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	553.3516
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01400	1.2
60.31851	0.5
61.98831	6.9
62.13121	0.5
71.01332	0.5
71.56400	0.6
78.95946	1.6
96.96049	0.7
100.61109	0.6
184.11984	0.5
225.44424	0.5
235.29691	0.5
277.21729	0.8
278.22076	1.0
323.70068	0.5
407.33121	5.1
438.57260	0.6
457.33527	0.8
471.34845	100.0
472.35217	6.9
483.31308	0.6
503.29724	0.5
553.35156	52.6
554.35602	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	553.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98837	4.7
66.49702	1.2
71.04996	1.8
71.42257	1.1
73.79087	1.1
78.95921	3.0
80.72371	1.2
97.06604	4.2
118.98230	1.1
168.36847	1.2
171.10260	1.1
183.71051	1.3
252.89850	1.2
278.29074	1.5
389.28418	1.6
391.30206	4.8
405.31592	4.6
407.33206	8.9
421.26840	1.4
423.28894	2.0
441.33755	30.6
442.34457	2.1
451.32114	13.6
453.33792	58.2
454.33963	2.9
457.33289	2.3
471.34927	48.8
472.35181	3.6
523.34186	1.5
553.35205	100.0
554.35437	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	553.3518
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01403	1.5
61.98833	3.3
66.84901	0.4
70.37193	0.3
71.05046	0.4
78.14726	0.3
78.95950	0.5
83.01396	0.5
89.10238	0.3
96.96022	0.5
159.21126	0.4
159.28172	0.3
170.60928	0.4
270.46085	0.4
279.23428	0.5
330.81412	0.3
471.34814	100.0
472.35129	7.2
553.35120	65.3
554.35443	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	553.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
58.85869	0.6
59.01387	8.4
60.99309	14.7
71.01392	5.0
72.99267	0.8
73.02945	1.9
83.01387	0.9
85.02967	3.1
87.00906	1.6
88.00413	1.6
88.98814	100.0
89.02454	22.5
93.03490	0.9
95.01386	1.0
96.96014	2.6
98.95592	4.3
98.96398	0.8
99.00886	1.1
100.96033	0.7
101.02451	6.6
113.02439	1.8
115.42805	0.6
119.03519	1.1
148.90950	0.8
161.04575	1.4
162.03320	0.7
191.05585	2.1
271.02432	1.0
300.02963	1.1
310.44760	0.7
339.54172	0.7
373.25812	1.1
391.27252	1.4
463.08548	1.5
463.21878	1.8
535.31421	0.8
553.12830	1.3
553.32904	14.0
554.32922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40476	1.0
55.01886	2.3
57.03455	2.8
58.00595	1.9
58.65505	1.1
59.01385	51.6
60.01707	1.4
60.99315	14.4
61.98847	3.5
71.01389	29.1
71.05057	1.7
71.57240	1.5
72.99330	3.5
73.02943	5.1
75.00884	3.0
83.01410	3.0
85.02964	9.6
87.00906	4.6
88.98815	100.0
89.02454	39.0
93.03472	1.1
95.01419	4.1
96.96057	2.5
97.02987	1.0
99.00927	1.8
101.02458	21.9
111.00906	1.7
113.02457	12.3
119.03524	12.2
121.03014	2.0
131.03549	3.0
133.02931	2.4
134.03787	2.3
135.04546	7.4
149.04588	2.2
151.04027	6.3
155.88132	1.1
159.36327	1.0
161.02490	6.0
161.04639	2.9
166.06433	5.0
173.04630	3.5
179.03574	6.5
179.05710	2.1
181.08791	4.1
191.05594	5.2
213.90184	1.0
216.99109	7.1
234.99315	2.2
241.05194	1.6
248.97340	2.8
256.07544	1.4
270.67480	1.0
271.09912	3.6
303.21912	2.6
331.25238	1.4
343.12033	3.6
353.08694	1.7
358.14240	1.9
373.16470	11.2
373.26050	2.6
391.04361	13.7
391.27148	2.0
471.24765	1.3
471.74710	4.7
472.24539	2.4
493.23196	2.0
493.30273	2.4
498.29407	1.2
534.87207	1.0
535.31763	1.3
542.32739	1.2
552.77502	3.8
553.06976	8.0
553.20569	1.8
553.22681	1.9
553.32581	40.2
554.33209	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	553.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40476	1.0
55.01886	2.3
57.03455	2.8
58.00595	1.9
58.65505	1.1
59.01385	51.6
60.01707	1.4
60.99315	14.4
61.98847	3.5
71.01389	29.1
71.05057	1.7
71.57240	1.5
72.99330	3.5
73.02943	5.1
75.00884	3.0
83.01410	3.0
85.02964	9.6
87.00906	4.6
88.98815	100.0
89.02454	39.0
93.03472	1.1
95.01419	4.1
96.96057	2.5
97.02987	1.0
99.00927	1.8
101.02458	21.9
111.00906	1.7
113.02457	12.3
119.03524	12.2
121.03014	2.0
131.03549	3.0
133.02931	2.4
134.03787	2.3
135.04546	7.4
149.04588	2.2
151.04027	6.3
155.88132	1.1
159.36327	1.0
161.02490	6.0
161.04639	2.9
166.06433	5.0
173.04630	3.5
179.03574	6.5
179.05710	2.1
181.08791	4.1
191.05594	5.2
213.90184	1.0
216.99109	7.1
234.99315	2.2
241.05194	1.6
248.97340	2.8
256.07544	1.4
270.67480	1.0
271.09912	3.6
303.21912	2.6
331.25238	1.4
343.12033	3.6
353.08694	1.7
358.14240	1.9
373.16470	11.2
373.26050	2.6
391.04361	13.7
391.27148	2.0
471.24765	1.3
471.74710	4.7
472.24539	2.4
493.23196	2.0
493.30273	2.4
498.29407	1.2
534.87207	1.0
535.31763	1.3
542.32739	1.2
552.77502	3.8
553.06976	8.0
553.20569	1.8
553.22681	1.9
553.32581	40.2
554.33209	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.0
59.01385	100.0
60.99316	5.9
61.98843	21.2
69.71269	15.7
71.01383	64.3
72.26556	3.0
72.99313	4.7
73.02953	8.1
74.53497	2.4
75.00836	3.6
78.95921	3.1
81.69717	2.6
85.02961	17.0
87.00902	8.2
88.98818	56.6
89.02453	94.7
93.03481	5.4
95.01415	3.4
96.96022	6.5
98.20636	4.7
99.00850	3.9
101.02442	34.3
108.02166	3.7
109.03004	3.4
113.02456	27.2
116.92913	2.4
119.03509	27.4
121.02952	11.2
123.00891	5.0
123.04540	3.2
125.02405	3.3
128.01715	2.9
131.03488	5.8
133.02951	3.7
134.03735	27.1
135.04544	10.4
136.01651	11.7
136.05322	18.0
137.02464	6.3
137.06204	3.4
138.03212	6.1
143.03513	6.0
145.02972	21.1
146.03737	13.0
146.08237	9.4
148.01671	5.1
149.02472	16.6
149.04630	5.0
149.06059	35.9
150.03233	30.5
150.06660	2.8
151.04028	16.3
153.05602	7.5
161.02463	8.2
161.04556	10.6
161.06061	7.2
162.03250	27.8
163.04016	13.6
164.04794	9.2
165.05545	14.9
166.02678	6.6
167.83936	2.4
168.27303	3.1
173.04527	5.0
177.05557	22.1
178.02716	4.9
179.03630	2.4
179.05620	14.8
179.07129	4.8
181.05093	21.4
183.02953	2.8
190.60539	2.9
191.05624	15.5
193.05040	13.5
194.05873	10.8
195.06622	27.2
197.04532	7.1
211.06190	12.5
215.99408	3.2
239.07133	5.8
241.37823	3.2
254.09508	10.6
265.98679	2.7
268.07443	3.1
275.10764	6.0
277.12094	3.3
283.09821	6.6
311.09222	11.3
315.09137	2.8
327.07150	6.3
341.08746	16.1
343.11874	85.8
344.12268	4.3
355.11935	40.5
357.11783	2.9
391.14047	5.8
493.22809	9.9
523.14612	6.3
535.13910	4.5
553.19366	78.2
553.32458	45.6
554.19916	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	0.9
59.01390	15.6
61.98837	3.7
67.01920	0.8
69.41556	5.4
71.01385	6.4
72.99329	1.1
73.02940	2.3
78.95901	2.7
83.01412	1.1
83.53793	0.7
85.02952	3.2
87.00870	1.0
87.37689	0.7
89.02444	5.7
90.70741	0.7
93.03469	3.5
95.01379	1.1
96.96016	12.0
96.96974	2.7
101.02460	4.8
101.31499	0.8
104.72433	0.8
108.02199	2.2
109.02934	1.1
111.00871	1.5
111.20277	0.8
113.02505	4.7
119.03542	1.2
119.05058	1.9
121.02953	7.8
122.03762	8.6
123.04544	10.2
124.01668	0.9
125.02460	1.0
131.99640	0.8
133.02953	2.6
134.03746	2.2
135.04552	7.8
136.01678	1.1
136.05315	12.6
137.02399	1.2
149.02449	17.6
149.04453	1.6
149.06128	2.2
150.03242	83.6
151.04031	30.5
151.07657	2.2
161.02461	1.2
161.04521	1.6
162.03242	0.9
163.04022	1.7
164.04790	5.2
165.01938	2.6
165.05583	91.1
166.05894	2.2
167.03618	1.0
173.04570	2.3
177.05702	1.2
179.05659	0.8
179.07198	1.3
180.04292	6.3
181.05077	20.1
191.05598	8.3
195.06642	77.4
196.06947	2.3
219.06606	1.5
223.06093	1.8
237.07689	0.9
241.58742	0.8
243.48094	0.9
269.08130	0.8
283.09610	1.4
286.40463	0.9
311.09305	7.9
343.11877	20.9
344.12381	1.3
367.11780	1.5
391.14029	100.0
392.14316	5.8
415.13953	1.6
415.71439	0.9
493.22867	1.2
553.19696	15.6
553.32410	4.6
554.19806	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03443	2.4
58.00590	3.5
59.01384	75.0
61.98835	3.5
70.29379	5.1
71.01388	37.6
72.99313	3.9
73.02940	4.7
74.67830	1.5
78.95862	2.0
83.01415	2.5
85.02962	9.5
87.00878	5.0
88.98821	4.1
89.02451	49.3
92.66573	1.4
93.03474	7.4
95.01407	3.6
96.96017	4.2
99.00878	1.7
101.02452	24.3
104.55482	1.3
108.02161	2.9
109.02962	1.5
109.38401	1.2
113.02460	17.2
117.03477	3.4
119.02758	2.2
119.03519	17.3
119.05000	1.9
121.02981	8.8
121.06699	1.2
122.03764	2.1
123.00889	4.1
123.04525	5.1
124.01729	2.2
131.03545	2.0
133.03023	3.7
134.03748	23.0
135.04561	10.2
136.01654	5.9
136.05301	12.9
137.02432	6.0
137.06145	2.9
138.03267	4.1
143.03476	2.7
145.02972	29.5
146.03748	14.9
147.04492	2.2
149.02443	11.2
149.04573	3.7
149.06094	25.0
150.03241	14.2
151.04039	7.5
151.07642	2.3
153.05586	2.7
157.08705	5.2
160.05350	3.8
161.02448	7.5
161.04620	3.7
161.06082	9.0
162.03253	32.0
163.04013	11.3
164.04825	4.8
165.05576	8.5
173.04630	2.4
175.04034	1.3
177.05589	27.3
178.66942	1.4
179.04208	1.1
179.05626	8.3
179.07062	2.1
180.04303	2.0
181.01500	1.5
181.05154	4.4
182.02141	2.1
183.03021	1.9
191.05603	6.8
193.05106	3.3
194.05858	8.4
195.06648	33.7
197.04626	2.7
209.08250	3.3
211.06227	3.3
214.67192	1.4
239.07149	7.8
249.07628	1.5
254.09523	9.8
269.11850	3.6
283.09854	2.5
284.10742	1.8
311.09299	5.3
327.07309	3.4
340.09589	2.6
341.08826	5.8
343.11880	54.9
344.12180	1.7
355.11896	33.5
356.12103	1.7
357.12024	2.3
373.18295	1.8
432.88098	1.4
440.08594	1.3
493.13770	2.1
493.22882	2.9
535.14545	2.9
553.19324	100.0
553.32318	14.1
554.19769	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	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20699	1.0
54.66728	1.0
57.03421	1.5
57.89777	1.2
59.01385	18.4
61.48259	1.1
61.98835	1.9
65.21526	1.1
70.67021	3.6
71.01386	9.4
73.02971	2.6
73.49525	1.2
78.95929	5.7
83.89767	1.1
85.02953	3.8
89.02470	7.0
93.03461	4.6
95.01421	1.3
96.96027	14.3
96.96961	1.7
101.02438	3.1
113.02448	5.0
119.05037	2.5
121.02976	7.3
122.03736	9.8
123.04549	9.5
133.02950	2.6
134.03722	1.5
135.04523	7.4
136.05301	13.7
137.02483	1.5
149.02448	13.0
149.04425	1.3
149.06171	1.7
150.03238	81.7
151.04025	28.0
151.05148	0.8
151.07658	2.6
155.03502	1.3
158.14537	1.3
161.04564	1.4
164.04791	4.4
165.05579	99.2
173.04567	2.4
180.04266	7.2
181.05096	21.4
191.05615	9.1
195.06641	77.1
195.45697	1.2
219.06619	1.9
225.54707	1.1
229.08855	1.5
309.50116	1.2
311.09265	6.4
338.38791	1.1
343.11823	18.2
344.12320	1.6
352.58102	1.3
391.14023	100.0
392.14294	3.4
415.13934	2.3
493.23196	2.2
509.17874	3.0
553.11517	1.2
553.19910	16.1
553.32886	6.0
554.19434	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03461	0.4
59.01384	9.9
61.98837	1.3
62.13049	0.2
67.19648	0.2
69.46606	1.9
71.01395	3.1
72.99300	0.3
73.02955	2.3
75.00890	0.5
78.95916	3.6
79.95749	3.1
80.91733	0.3
82.53055	0.2
82.95439	0.3
83.01399	1.0
85.02955	1.1
85.44086	0.3
87.00876	0.6
88.98833	0.7
89.02453	1.5
94.83637	0.3
95.01381	0.4
96.96021	100.0
96.96911	5.6
97.06605	0.4
98.20686	0.5
101.02451	3.2
101.04673	0.3
108.02184	3.1
108.67723	0.3
109.81001	0.3
113.02460	1.8
113.92662	0.4
114.93429	0.9
117.73789	0.2
119.03543	0.7
123.04556	1.6
131.03508	0.5
133.02954	0.3
134.03735	0.3
135.04544	0.7
137.02452	0.3
137.09735	0.4
139.04060	0.3
141.05530	0.4
143.03517	0.6
149.04538	0.5
151.07664	0.4
152.01173	7.0
153.01921	0.3
161.04572	1.2
163.07588	0.4
167.03511	13.1
167.04948	0.7
173.04701	0.3
181.08736	1.0
191.05608	0.7
221.06689	0.3
223.06126	0.5
223.09749	0.6
241.10750	0.5
328.41394	0.3
379.10355	0.8
385.15112	1.1
411.20297	0.4
428.95551	0.3
472.25174	0.3
553.19409	1.2
553.32117	1.0
554.29169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77617	0.3
57.03441	0.4
58.00594	0.5
59.01386	11.6
60.99300	0.7
61.98848	2.0
69.68809	1.7
71.01391	4.5
73.02953	4.5
73.22536	0.3
78.95914	3.5
79.95750	2.9
83.01416	1.3
85.02947	1.4
87.00899	0.7
88.98811	3.2
89.02461	2.7
96.96021	100.0
96.96911	5.1
97.03000	0.4
97.93131	0.6
97.95979	0.4
101.02449	5.1
113.02473	2.2
113.92635	0.5
114.93430	1.8
116.92870	0.8
119.03510	1.2
123.04530	1.0
131.03464	0.5
134.03824	0.4
135.04546	0.7
143.03525	0.5
149.04524	1.0
151.04013	0.5
161.04568	1.6
167.03436	0.4
173.04535	0.4
189.12894	0.5
191.05611	0.8
261.93649	0.4
266.59073	0.4
289.06750	0.4
509.13657	0.5
540.97284	0.5
545.52844	0.4
553.19269	0.9
553.29889	1.8
567.56732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64576	0.2
55.01842	0.3
59.01383	11.4
61.98833	1.3
66.53944	0.3
68.77451	0.2
69.23613	0.5
69.24018	2.1
71.01383	3.2
72.99335	0.4
73.02949	2.1
75.00870	0.3
78.95906	4.1
79.95737	2.8
83.01385	0.9
85.02956	1.0
87.00900	0.5
88.98811	0.3
89.02460	1.8
92.67603	0.3
93.03455	0.9
95.01402	0.3
96.96020	100.0
96.96915	5.8
97.93183	0.4
98.20689	0.5
99.04522	0.4
101.02456	3.7
108.02177	3.1
111.04523	0.3
113.02460	1.5
113.92623	0.3
114.93425	1.9
119.03528	0.5
121.06667	0.3
122.06097	0.3
123.04533	1.2
131.03566	0.5
135.04512	0.8
137.09726	0.7
149.04578	0.6
151.04001	0.3
152.01152	8.4
153.01825	0.3
161.04514	1.7
161.09732	0.4
163.04102	0.3
163.07666	0.6
165.05602	0.4
167.03502	14.6
168.03862	0.4
171.15759	0.3
172.10834	0.3
173.04536	0.8
179.05458	0.3
179.07147	0.3
179.10820	0.3
181.08691	0.5
191.05643	0.6
197.11853	0.4
211.09804	0.4
221.06728	0.5
223.06145	0.6
223.09715	1.1
241.10802	0.7
273.59451	0.3
323.34354	0.3
325.12759	0.3
385.15137	1.5
439.03522	0.3
507.67609	0.3
515.55170	0.3
518.61017	0.3
522.18402	0.3
540.40540	0.3
546.44434	0.3
553.19440	2.2
553.29779	1.1
553.31354	1.2
554.19617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
60.04986	0.9
61.98838	15.1
69.42669	2.1
69.43089	4.4
71.01371	3.1
79.50035	0.9
80.96516	3.1
85.02957	2.7
87.00908	1.1
89.02444	3.2
97.78831	0.8
98.19926	1.5
101.02444	2.6
113.02447	1.6
161.04512	1.4
182.54652	1.0
191.05600	3.7
235.08186	2.8
253.09332	11.0
255.23312	100.0
256.23624	3.7
373.63016	1.0
405.31693	2.4
463.72070	1.1
469.33365	2.1
481.73495	1.0
524.91492	1.0
551.33734	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	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
61.98547	0.7
61.98837	11.8
62.24628	0.6
68.15899	0.5
71.01360	0.7
71.13540	1.3
71.13885	0.9
75.00904	0.8
78.68496	0.7
78.95909	11.1
96.95988	1.4
103.20760	0.5
104.25803	0.6
151.00403	1.0
152.99597	2.1
168.04318	1.3
178.99841	1.3
179.71861	0.7
224.06924	0.9
242.08020	2.7
277.21725	100.0
278.22025	3.3
295.22717	1.2
307.68057	0.8
315.19260	0.7
315.69199	1.0
362.70599	0.6
441.33585	2.1
471.34979	1.7
492.75003	0.6
502.29434	37.6
503.30011	2.1
553.35168	3.2
578.86450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73046	9.6
51.73297	8.9
52.72799	9.9
59.01377	38.5
61.98833	100.0
71.54368	14.0
73.08288	9.6
96.96019	39.6
210.93965	12.1
279.23334	18.4
327.01944	11.0
469.33212	47.2
551.33380	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01373	2.4
61.98835	7.0
69.89706	1.5
69.90118	2.3
71.05039	1.0
78.95909	1.5
79.16859	0.7
80.19346	0.6
83.05026	1.2
86.92986	0.7
96.96037	6.5
121.03098	0.8
152.99667	1.3
262.61206	0.9
289.21866	1.2
359.29739	1.6
393.27859	1.0
405.30908	0.8
407.29410	1.3
409.31094	1.7
415.32141	4.2
421.31293	1.3
423.32721	42.5
424.33115	2.7
425.34317	13.5
469.33240	100.0
470.33572	6.1
515.33990	1.8
551.33557	58.4
552.33832	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.8
61.98841	8.2
71.01389	4.2
73.02929	1.6
76.58136	0.9
78.91878	1.0
78.95901	1.7
80.96532	2.0
85.02941	2.0
89.02448	2.7
96.24041	1.0
96.79002	1.0
98.19905	1.8
101.02466	3.7
141.41415	1.0
191.05635	5.4
235.08328	2.4
253.09276	12.1
255.23309	100.0
256.23618	4.1
278.73602	1.1
361.29385	1.0
385.74579	1.2
469.33020	2.4
491.32196	1.3
551.34546	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	551.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	24.2
60.99314	17.6
61.98818	1.7
71.01392	10.2
73.02959	4.4
76.84965	1.3
85.02950	6.0
88.98817	100.0
89.02449	6.4
98.20754	3.0
101.02463	8.4
108.02184	1.8
111.04483	1.4
113.02489	3.4
116.92773	1.7
134.03758	1.6
136.01653	2.1
148.90968	1.7
149.04533	1.7
163.06142	3.1
163.50200	1.4
171.93062	1.5
173.04530	1.8
191.05585	3.3
205.07306	1.8
209.11838	2.2
223.06186	2.5
290.06241	1.3
459.85849	1.4
465.13361	2.5
490.91519	1.5
502.31662	1.6
551.31189	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29351	1.7
55.01877	3.7
57.03451	4.3
58.00592	3.3
59.01386	83.3
59.03339	1.5
61.98815	2.1
62.81775	1.3
71.01388	57.9
72.99319	5.0
73.02953	15.0
75.49699	1.7
80.26424	1.5
83.01386	10.0
85.02960	27.1
86.00122	2.2
87.00900	9.2
87.81606	1.5
89.02455	31.4
93.03487	2.3
95.01379	6.2
96.95998	1.9
97.59955	1.4
99.00876	5.2
101.01805	2.8
101.02459	43.9
111.00874	2.0
113.02471	18.9
113.42383	1.4
119.03512	12.4
122.95689	1.5
131.03493	5.8
135.04509	5.8
143.03587	1.7
146.03775	9.7
151.04031	4.2
151.37152	1.8
159.02968	2.3
159.04492	2.3
160.01675	2.7
161.02452	5.4
161.04523	9.4
161.05858	1.5
163.06061	1.5
164.04742	8.0
167.10794	2.3
173.04607	10.1
179.03525	3.4
179.07133	14.1
191.05612	5.7
256.03989	1.9
274.45993	1.6
279.06754	1.9
295.09952	2.1
296.06998	2.0
299.09216	2.4
311.09262	10.1
312.10062	3.3
313.10736	6.8
325.10645	2.6
326.07986	1.9
329.10233	3.0
339.12350	4.9
341.10458	7.8
342.11014	3.6
343.11780	3.1
344.12659	6.4
345.13211	3.0
353.08990	8.3
356.12717	4.4
357.13379	4.6
359.15073	4.6
370.10651	2.5
371.07556	1.9
371.14935	5.2
373.12903	2.7
385.14859	2.5
389.20605	3.8
397.20483	4.7
397.70953	2.0
421.31165	2.1
430.22766	4.1
460.13440	1.8
470.23438	34.0
470.73416	5.5
491.15326	8.7
503.15680	16.0
504.15927	2.2
506.17953	9.1
515.11926	2.8
518.17999	11.5
521.20325	100.0
522.20374	5.8
533.20300	99.6
534.20782	7.4
551.31702	39.9
551.76355	2.9
552.31116	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	551.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.4
59.01388	4.2
61.69161	0.7
70.25284	1.5
70.25677	2.0
71.01385	2.9
78.95915	1.8
83.01392	2.2
84.02187	1.7
85.02962	19.3
87.00886	9.7
87.04575	1.2
89.02470	1.2
96.96956	1.0
98.19954	1.0
99.00880	2.3
99.61034	0.8
101.02462	1.2
111.00888	2.8
112.55828	0.7
129.01967	12.9
138.72597	0.7
141.01933	1.8
145.03682	0.7
159.03036	3.8
191.01984	1.7
207.05043	1.6
209.06683	100.0
210.07062	2.1
338.46576	0.7
536.03375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45071	1.4
59.01380	4.3
61.98823	8.7
62.66748	1.1
71.01385	3.4
71.55029	2.2
77.51518	1.4
78.95905	3.7
87.00877	1.9
88.98810	1.5
89.02448	21.1
96.96008	6.8
96.96970	3.4
108.77238	1.3
115.16392	1.3
122.03744	2.2
133.02937	1.4
133.05103	9.1
137.02525	1.7
149.06076	1.2
150.03233	40.6
155.86740	1.4
164.04797	1.9
165.05577	100.0
176.35475	1.5
191.05598	5.0
213.07692	41.2
214.08090	1.8
251.05673	2.2
353.08640	3.3
375.12988	2.0
395.12863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38035	0.7
56.49065	0.8
60.27803	0.9
61.98836	100.0
65.94648	0.7
67.01872	0.8
69.29290	7.5
79.95734	1.7
80.96515	2.9
93.03467	4.1
96.17251	0.8
98.19912	1.1
104.78458	0.9
134.03758	2.6
141.38560	0.7
173.04471	1.5
191.05577	2.4
225.66881	0.8
463.21948	5.4
463.71637	1.4
469.32819	1.1
550.24408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.4
59.01388	15.8
70.02042	9.4
71.01392	100.0
72.78684	2.1
72.99309	35.5
73.85970	2.1
78.95908	9.6
85.02955	7.8
87.00886	48.2
89.02465	10.7
94.32682	1.8
96.28062	2.2
96.96031	14.6
96.96976	14.2
98.19945	2.2
99.00893	2.1
101.02437	2.0
109.02955	2.7
111.00867	4.3
115.00397	28.2
125.02456	4.6
129.01962	12.0
133.01541	2.6
135.04512	2.5
137.02504	2.6
147.03012	93.8
147.06621	2.6
148.12154	1.9
156.43016	2.3
177.05617	2.3
191.05560	7.9
205.04945	2.0
209.06685	24.3
219.06575	3.2
231.06651	2.5
233.06673	3.6
249.07623	3.4
251.38351	2.1
292.26614	1.9
293.09042	13.9
335.37643	2.4
353.08768	17.1
403.12415	11.1
551.12030	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18787	0.9
54.58863	0.9
55.01874	1.2
57.03450	1.6
58.00601	4.4
59.01382	65.2
61.98837	3.9
62.14854	0.8
69.03462	30.5
69.68349	3.2
69.68747	1.5
71.01385	45.2
71.01781	2.2
72.99311	3.4
73.02950	15.8
75.00883	1.9
79.01897	6.1
81.03481	4.9
83.01397	5.8
83.05043	1.3
85.02958	19.7
87.00878	3.5
87.04550	0.9
89.02451	26.9
93.03474	3.0
95.01391	6.9
96.96020	2.0
97.02958	18.6
98.20665	1.1
99.00892	3.5
101.02454	36.2
101.03118	2.1
103.04020	23.0
103.04658	1.8
107.01392	20.5
108.02184	54.7
109.02968	13.3
113.02450	5.9
115.04029	1.6
119.03519	9.8
121.02952	2.8
123.00914	7.8
125.02458	45.1
127.04021	3.7
131.03523	2.2
133.03008	2.3
135.00888	40.3
135.04539	3.9
137.02434	6.3
140.17897	0.9
143.03484	2.3
144.44913	0.9
145.05081	3.8
151.00397	3.1
152.01164	100.0
153.01953	13.6
159.77570	1.0
161.02531	1.5
162.74187	0.9
163.04013	1.3
163.06139	13.3
165.05582	1.2
173.04605	2.2
179.03487	2.9
191.05632	3.1
197.06065	5.8
197.49666	1.0
205.07256	2.2
213.05508	1.6
215.07318	1.1
242.05954	1.2
243.06627	48.2
244.07010	1.8
247.08170	8.8
255.19022	0.8
262.08487	0.8
307.10339	3.3
316.79898	1.1
423.61414	1.0
443.11948	67.4
444.12180	3.8
455.24701	2.8
491.36069	1.7
551.24951	6.0
551.34930	5.2
552.25195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77583	0.7
59.01402	4.5
61.98837	100.0
71.11611	1.6
113.89321	0.7
176.35622	0.8
200.51958	1.0
220.16219	0.8
432.31039	0.8
469.33228	1.2
551.34979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07802	0.2
55.01885	1.5
57.03451	2.1
57.60717	0.2
58.00587	0.3
59.01384	100.0
60.01728	1.2
61.01803	0.7
61.98833	0.9
69.03461	0.6
70.09147	0.3
70.09499	1.0
71.01389	14.8
71.04996	0.3
72.01719	0.5
72.99316	0.6
73.02947	4.6
75.00880	0.4
83.01394	3.6
84.02205	0.3
85.02959	9.9
87.00878	0.8
88.98832	0.3
89.02463	1.8
95.01404	1.9
95.32748	0.2
97.02959	1.0
98.20599	0.3
99.00890	2.0
101.02456	7.7
111.00901	0.7
111.08131	0.2
113.02457	9.3
114.02799	0.2
115.04036	0.5
115.92120	0.3
119.03528	0.4
122.91085	0.2
125.02457	1.2
125.09630	0.2
131.03522	0.2
137.02516	0.4
141.12854	0.3
143.03513	2.6
157.12341	1.2
159.03030	0.8
161.04578	3.9
173.04646	0.3
297.24292	0.7
299.25882	2.8
311.25940	0.2
327.29007	0.5
345.30106	12.4
346.30295	0.7
377.24451	0.2
387.31201	0.7
390.00577	0.3
441.32062	0.4
453.33389	0.2
459.33215	0.5
462.48483	0.2
487.32828	0.3
488.32657	0.3
489.34317	35.1
490.34674	2.0
507.35321	12.6
508.35605	0.8
549.30121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98835	100.0
71.26977	0.5
73.62512	0.2
92.23158	0.2
96.96029	0.2
120.01240	0.2
123.04555	0.3
134.03699	0.3
137.02490	0.4
167.51146	0.2
175.82704	0.2
176.04860	0.2
191.05641	0.3
191.07201	0.3
192.07512	0.4
218.02002	0.2
231.06715	0.3
233.04651	0.2
308.34784	0.2
326.09628	0.3
327.09860	0.3
328.10178	0.3
353.09003	0.7
546.68207	0.2
550.16504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.7
60.01724	0.7
61.38157	0.3
61.98837	100.0
67.63441	0.3
69.40459	1.6
69.40886	1.0
71.01396	2.5
73.02942	0.5
74.63555	0.4
75.14848	0.3
83.01421	0.4
85.02972	1.1
87.00912	0.4
89.02466	0.7
91.56715	0.3
96.96027	0.8
98.19908	0.5
101.02444	1.6
113.02493	1.0
121.31111	0.3
135.25362	0.4
143.99858	0.4
145.88568	0.3
193.29810	0.3
227.59042	0.3
346.30927	0.4
390.55240	0.3
438.17999	0.4
439.23520	0.4
439.74512	0.3
469.52948	0.4
489.34631	1.2
490.27457	0.6
490.34418	2.0
507.35727	0.6
508.35965	0.9
536.52350	0.4
550.29205	0.5
551.30725	3.3
574.23438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
62.13973	0.1
69.32520	0.9
71.01389	0.2
78.95908	3.6
79.95742	2.4
84.95118	0.4
85.79692	0.1
87.00863	0.1
89.02459	0.3
96.96021	100.0
96.96915	6.1
101.02454	0.2
149.04591	0.2
191.05682	0.2
475.86020	0.1
549.29596	0.2
566.33032	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	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
56.64959	0.3
57.02499	0.2
57.03458	3.5
58.00603	0.4
59.01386	100.0
60.01723	1.1
61.01805	0.4
61.98823	2.4
69.03496	0.8
70.60955	0.6
71.01392	15.6
72.01727	0.4
72.99340	1.1
73.02950	5.0
75.00899	0.4
78.95912	0.5
82.59946	0.3
83.01393	4.0
83.19227	0.3
85.02963	11.4
86.00116	0.7
86.03315	0.3
87.00906	1.4
89.02454	2.6
95.01379	2.1
97.02982	1.2
98.20569	0.4
99.00894	2.2
101.01802	0.6
101.02463	10.3
111.00921	0.8
112.01694	0.4
113.02468	9.9
115.04071	0.4
119.03506	0.5
119.28919	0.3
125.02464	1.7
127.11311	0.5
129.01956	0.5
143.03526	3.4
159.03012	1.1
161.04547	3.4
173.04523	0.4
209.19060	0.3
213.18600	1.3
220.61337	0.4
231.83638	0.4
251.23813	0.4
255.19705	0.5
281.24908	0.4
286.32211	0.3
297.24448	0.6
299.25980	1.4
345.30112	8.5
387.31189	0.7
417.25015	0.5
441.32288	0.8
459.33075	0.9
489.34338	42.0
490.34671	2.6
507.35373	25.8
508.35825	1.9
549.29028	4.6
549.36304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03450	4.7
58.00601	4.8
59.01384	99.7
60.01690	1.1
60.99313	5.3
61.98834	4.2
69.03458	3.2
71.01388	99.9
72.99304	7.1
73.02953	20.0
75.00880	0.9
81.03452	1.9
83.01391	8.9
83.05035	1.0
85.02959	26.3
86.00098	2.5
87.00885	10.8
87.04517	3.3
88.98812	33.5
89.02452	100.0
90.02784	0.8
93.03452	1.6
95.01398	2.6
96.96015	2.7
97.02989	4.3
98.20779	1.7
99.00896	6.6
101.02450	60.6
109.02960	1.0
111.00890	7.7
113.02460	24.3
115.04028	2.0
115.92090	2.1
116.92899	0.9
119.03524	9.8
119.05019	1.2
123.04504	1.3
125.02461	11.5
129.01929	1.6
131.03513	34.6
132.03795	1.0
133.05101	1.2
143.03485	5.3
149.04565	44.4
151.00429	2.1
159.03012	1.4
161.02534	1.3
161.04578	9.0
173.04562	3.6
177.01941	7.9
179.05638	3.8
191.05618	14.1
192.04288	6.7
203.05603	0.8
207.06664	9.5
208.87740	0.8
210.96967	0.9
231.10902	0.7
233.06667	9.8
233.16501	0.8
255.19658	1.0
271.06174	2.6
282.08762	0.9
287.75827	0.9
293.08801	6.4
301.07224	2.9
325.10764	0.8
330.07040	1.1
341.10312	1.8
342.99182	0.8
357.13214	1.0
371.15036	3.3
387.27603	6.8
399.14621	1.3
399.23770	4.3
413.16513	1.5
417.24957	28.4
418.25354	1.4
427.14285	1.0
429.15820	1.2
462.67841	0.9
471.16479	2.7
513.30817	1.1
516.15857	1.1
531.18927	6.9
531.26959	1.3
549.28644	67.2
550.28516	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
57.03459	4.9
58.00589	4.2
59.01387	91.0
60.01731	0.8
61.98841	2.2
62.53125	0.6
67.01881	1.2
69.03462	2.7
71.01389	95.9
71.05006	0.9
72.01738	0.9
72.99319	7.2
73.02956	16.9
73.71677	0.7
78.84234	0.6
81.03452	2.0
81.04909	0.7
81.88261	0.7
82.95422	1.1
83.01392	9.1
85.02958	26.2
86.00093	1.8
87.00887	11.3
87.04507	2.1
88.98803	2.9
89.02454	100.0
90.02782	1.2
93.03455	2.7
93.05682	0.7
95.01398	3.3
95.79724	0.7
96.96017	4.0
97.02982	3.3
98.20692	1.3
99.00907	5.4
99.04525	1.2
101.02453	58.0
109.02940	1.0
111.00888	8.2
113.02463	22.4
115.03996	2.5
115.92058	3.5
116.03010	0.7
116.92834	1.0
117.05547	0.9
119.03526	10.5
121.02976	1.2
122.42182	0.8
125.02456	8.5
129.01895	0.8
131.03517	33.0
133.02936	1.4
135.04533	1.8
137.02324	0.9
143.03502	4.9
149.04568	47.5
150.04932	0.9
155.03481	0.8
159.02907	1.7
161.02376	2.1
161.04553	11.0
161.33493	0.7
173.04587	4.1
177.01933	3.3
179.03432	0.8
179.05536	3.2
191.04073	1.0
191.05626	16.2
203.05565	0.8
215.05490	1.1
225.11163	0.9
233.06720	6.6
234.10333	0.7
237.10544	0.8
255.19643	1.0
293.08804	5.1
369.25946	0.8
375.26987	3.1
387.27716	4.0
399.23782	3.9
417.24951	32.4
418.25073	0.9
431.26331	0.8
531.27679	0.7
549.28583	72.2
550.29047	6.0
561.59454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49009	7.8
59.01380	65.9
71.01382	39.3
73.02942	11.6
78.95899	14.7
82.88435	8.0
85.02959	15.8
89.02483	16.8
92.92304	8.7
96.96010	62.2
96.96968	32.8
99.91079	9.4
101.02443	21.0
113.02472	11.1
158.49748	9.2
186.31108	9.5
204.44958	8.3
231.12627	9.6
366.22308	24.9
366.72809	10.4
447.25021	90.6
447.75021	29.3
455.35129	17.9
513.26770	14.3
532.63885	8.5
549.24689	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	549.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97628	0.8
55.01873	3.6
57.03450	4.7
58.00583	3.3
59.01385	84.7
61.98825	1.9
63.40415	0.8
69.03465	3.5
71.01389	93.3
72.01713	1.3
72.99318	4.8
73.02953	19.4
75.00859	1.6
81.03455	1.9
83.01398	11.4
85.02457	1.9
85.02959	29.0
86.00105	1.4
87.00894	7.4
87.04526	2.1
88.98810	2.1
89.02452	69.0
93.03466	1.2
95.01376	5.1
96.96010	4.1
97.02942	4.9
98.19771	2.2
98.95614	1.8
99.00890	9.0
101.02451	53.6
111.00880	5.3
113.02454	27.3
115.04011	1.0
119.03528	9.1
125.02467	8.6
129.01953	1.3
131.02542	1.6
131.03516	23.3
136.01724	0.9
143.03413	4.4
144.67767	0.9
149.04570	24.1
151.04114	1.2
159.03003	2.2
161.04567	25.3
173.04558	3.9
179.05598	3.4
191.05632	9.7
205.03519	0.9
214.33067	0.9
215.05655	1.1
233.06628	2.8
255.19638	2.4
270.19876	0.9
293.08759	4.2
387.14450	1.5
399.24069	4.0
417.24951	69.5
418.25433	4.7
457.69559	0.9
543.67456	1.0
549.29163	100.0
550.29675	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12548	1.9
52.29514	1.7
55.01855	2.0
57.03454	2.5
59.01119	2.4
59.01382	32.8
60.99286	5.6
61.98840	11.3
64.17950	1.6
69.03445	2.6
69.32213	14.2
71.01389	46.2
72.99294	2.1
73.02959	13.8
75.00874	4.7
78.95887	2.6
83.01375	3.7
85.02554	1.4
85.02955	17.1
87.00854	4.3
88.35299	1.8
88.98293	2.0
88.98819	32.9
89.01942	2.0
89.02451	31.3
93.03435	2.2
95.01345	3.5
96.96014	17.3
96.96952	3.3
97.02941	3.7
98.19867	3.9
99.00852	7.0
99.04478	1.7
101.02452	27.5
108.02173	1.8
109.02900	4.8
111.08122	2.5
113.02470	14.1
115.03983	3.7
116.92794	2.1
119.03461	4.3
121.02930	3.4
123.04520	2.3
124.01588	1.9
125.02414	6.3
131.03470	7.5
134.03755	10.8
135.04474	2.0
137.02324	1.9
137.06064	1.9
139.07663	20.2
143.03497	2.3
146.03723	1.8
147.04462	6.6
149.04497	5.7
149.06076	1.5
151.03946	2.0
159.04419	2.6
161.04591	14.4
161.05817	3.5
164.71602	1.8
173.04451	2.3
178.02650	5.0
179.05498	3.3
187.81772	2.0
189.12843	1.6
191.05649	10.4
193.05107	8.6
193.12279	2.8
213.05411	2.5
227.93663	1.8
233.06566	5.3
237.11244	2.5
241.04935	7.5
254.51756	1.9
255.06630	1.7
256.07428	8.9
267.06604	3.8
268.07526	1.9
269.08029	7.0
271.09579	6.4
283.09720	2.0
284.10541	21.4
285.10681	2.3
293.08603	6.4
299.12836	10.8
310.08325	3.5
314.04413	2.3
343.11801	2.5
357.15472	4.2
369.19043	2.6
387.10583	5.4
405.56519	2.0
433.05545	1.9
489.19791	100.0
490.19888	6.2
549.15723	57.3
549.22083	4.8
550.15973	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.3
60.99311	16.3
65.98913	0.8
71.01393	4.4
73.02949	0.9
76.55231	0.9
82.10005	0.8
85.02939	2.4
87.00912	1.1
88.98815	100.0
89.02452	2.0
93.03464	1.3
96.96016	1.7
98.20689	1.6
101.02452	2.0
108.21063	1.0
113.02479	1.1
119.03563	1.1
121.02921	0.9
136.01674	14.0
137.02444	2.5
149.18716	0.8
151.00407	2.7
151.04019	18.8
161.02425	1.1
161.04602	0.9
166.02739	7.8
173.04596	2.7
177.01833	0.8
181.05078	11.2
191.03568	1.0
191.05559	1.0
205.05005	0.9
314.44537	0.8
357.10123	4.2
372.12106	2.4
375.20120	1.5
375.27594	1.4
387.14529	33.3
388.14719	1.9
549.16089	3.1
549.28516	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	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.3
60.99309	16.3
68.01019	1.1
69.46001	9.0
71.01395	5.0
73.31942	1.1
85.02934	1.4
88.76757	1.2
88.98814	100.0
89.02468	3.8
89.13504	1.1
89.50535	1.1
96.96014	2.3
98.20744	1.1
101.02464	3.2
103.05095	1.2
119.03651	1.0
119.56750	1.1
136.01678	13.5
137.02412	2.1
149.04546	1.4
151.00424	1.5
151.04016	17.5
166.02737	8.7
173.04518	2.3
181.05070	10.4
191.03473	1.5
195.06635	1.7
203.03513	1.2
357.09976	3.4
372.12027	1.7
375.27170	2.0
387.14551	28.7
406.69293	1.3
515.45038	1.3
549.15753	3.2
549.31244	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	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
57.03448	2.3
58.00594	2.6
59.01384	59.9
61.98832	1.7
69.03445	1.5
71.01389	59.2
71.07642	1.3
71.55757	1.9
72.99309	3.7
73.02946	11.2
83.01388	6.4
84.98754	1.2
85.02962	14.8
87.00884	6.6
89.02452	59.6
90.02753	1.4
93.03471	2.7
95.01411	2.5
96.96023	9.0
96.96947	2.2
97.02935	3.0
99.00874	4.2
100.23020	1.5
101.01795	2.8
101.02446	39.5
105.42163	1.3
109.02963	3.0
111.00893	3.5
113.02467	15.3
115.00360	2.2
119.03534	7.6
119.05021	4.1
125.02438	3.9
131.03525	16.6
134.03743	2.5
143.03488	2.6
148.88152	1.3
149.04579	30.5
161.04613	9.9
161.05820	2.3
163.03990	5.6
173.04480	2.6
177.09196	6.4
179.03487	2.1
179.05602	5.0
189.12837	1.2
191.05623	12.8
192.05782	1.4
193.05099	1.9
195.10367	1.4
196.07242	1.3
197.04672	1.4
241.05017	3.9
256.07455	2.1
257.29529	1.2
269.08273	2.4
271.09729	2.2
283.09683	2.0
284.10648	7.5
293.08850	3.9
299.12848	3.1
357.15356	4.9
365.30093	1.2
387.10760	1.9
387.19754	1.7
431.58658	1.4
489.19675	100.0
490.20084	3.9
549.16174	14.5
549.25366	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	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03452	2.1
58.00601	4.4
59.01387	100.0
60.01740	0.8
61.98838	5.7
70.85435	0.7
71.01391	65.2
71.56921	0.9
72.01723	1.0
72.99317	5.5
73.02962	3.8
75.00874	0.9
83.01406	3.0
85.02957	13.5
85.59481	0.8
87.00891	4.1
87.04526	1.2
89.02457	90.0
93.03456	1.7
94.98160	0.9
95.01400	5.3
95.89913	0.8
96.96034	1.1
97.02992	1.4
99.00920	2.0
101.01800	1.7
101.02458	31.8
111.00904	1.1
113.02467	27.8
116.92921	0.7
119.03520	31.6
119.04949	6.0
122.03748	1.4
123.08230	0.8
125.02465	1.7
131.03523	5.6
135.04561	2.4
137.02470	1.9
138.14337	0.8
143.03531	5.0
149.04579	5.9
161.04582	7.8
163.04041	3.9
173.04605	3.3
177.02016	1.2
179.05656	13.9
191.05710	2.7
217.85699	0.7
219.01106	0.7
223.06175	1.1
226.94153	0.7
259.99689	0.7
293.86694	0.8
341.10471	1.0
357.13766	1.2
369.26672	0.9
371.15381	1.0
375.27747	1.1
387.14645	2.0
387.27631	6.5
417.24973	1.2
429.15704	8.2
459.16769	1.3
531.31842	2.2
549.19556	1.7
549.33331	22.5
550.33099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.0
61.98826	1.5
70.38450	1.0
71.01386	13.6
73.02962	2.7
78.95921	0.9
83.01386	1.6
85.02969	5.2
85.66681	0.9
87.00880	2.1
89.02457	8.5
91.40066	1.0
93.03452	2.0
96.85857	0.9
96.96028	6.5
98.95586	1.2
101.02457	7.1
109.02943	1.7
113.02470	4.1
119.03522	1.9
121.02976	3.7
122.03738	1.6
122.76356	1.0
131.03511	2.3
133.03000	1.3
133.05180	1.2
134.03691	1.0
135.04524	1.4
136.01680	26.9
137.02504	4.6
142.68582	1.0
149.02405	1.1
149.04579	3.6
151.00414	13.3
151.04025	41.9
152.01094	1.1
159.04567	1.0
161.02448	1.5
161.04570	2.6
162.03253	1.0
163.04019	1.2
166.02725	37.4
173.04596	3.3
175.04034	1.1
177.01913	2.6
177.05559	1.5
179.03543	1.6
181.05081	45.5
188.00935	1.0
191.05692	4.9
193.05043	1.0
289.67749	0.9
357.09692	8.9
372.12140	6.7
387.14520	100.0
388.15021	6.1
467.84995	1.0
489.27060	1.6
549.16504	1.5
549.29089	7.5
569.62817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29152	1.3
57.03456	1.4
59.01385	18.1
61.98836	3.0
69.53193	1.0
71.01389	13.9
73.02931	3.5
74.08314	1.1
75.85878	1.1
84.95089	1.1
85.02954	5.5
87.00875	2.0
89.02457	11.8
95.01411	1.6
96.96011	7.5
99.00881	1.4
101.02454	8.4
105.39531	1.2
113.02470	6.2
119.03492	2.3
121.02957	4.7
122.03693	1.6
123.00911	1.9
131.03557	2.1
134.03781	1.4
135.04495	2.5
136.01682	30.0
136.04958	1.2
137.02440	5.6
143.03522	1.5
149.04584	4.5
151.00375	11.0
151.04015	41.7
152.01237	1.3
153.05757	1.2
161.02448	4.4
161.04623	2.5
165.01970	1.4
166.02721	39.3
167.03522	1.4
170.71034	1.2
173.04544	3.8
175.04057	2.0
177.01898	2.6
179.03534	1.7
181.05080	49.2
191.05609	4.8
193.05043	1.6
194.86700	1.3
195.37064	1.4
207.06583	2.7
216.59778	1.5
300.02945	1.8
301.03366	1.5
308.06702	1.5
312.17084	1.4
357.09778	8.9
369.22589	1.6
372.12265	7.4
387.14517	100.0
388.14816	6.1
505.09952	2.1
549.15979	2.5
549.29333	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	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
63.40439	0.5
69.66480	2.7
71.01380	1.7
75.31104	0.4
87.16190	0.4
88.98806	0.5
91.01882	0.7
93.03465	0.5
96.99355	2.4
98.19939	0.8
101.02418	0.7
108.02170	6.3
109.02970	5.8
109.71013	0.5
115.00384	1.4
121.02962	1.0
123.04548	4.2
124.01646	0.5
129.03452	0.6
130.04280	0.5
131.04941	0.6
133.02914	0.8
134.03752	11.2
137.02440	1.1
145.02940	1.9
146.03746	5.1
147.04541	6.6
148.05309	6.1
149.06068	1.9
153.05618	0.6
158.03726	2.3
159.04529	4.3
160.01646	0.8
160.05330	0.8
161.06078	3.1
162.03230	0.8
162.06726	0.6
168.45073	0.5
173.02444	0.5
173.06061	1.2
174.03183	1.1
175.07681	0.6
177.62524	0.5
178.02711	3.0
186.03224	1.6
187.64285	0.5
189.05547	1.7
193.05092	6.7
201.05565	1.3
207.06613	2.9
213.05519	1.4
239.07158	1.4
240.04323	0.6
241.05084	9.1
245.04532	0.8
249.05614	0.8
250.06326	1.5
251.06927	0.7
252.07918	1.3
255.06607	1.0
256.07394	5.0
265.05109	0.4
265.08755	0.9
266.05856	3.4
267.03873	0.8
267.06631	8.9
268.07394	5.0
269.08188	3.8
270.08893	1.1
271.09750	5.6
277.04999	0.7
280.07477	1.3
281.08160	4.1
282.08984	8.9
283.09726	5.6
284.10541	4.9
292.07300	0.7
293.08112	0.9
294.05386	1.7
295.06125	1.0
295.09656	0.7
297.11343	12.6
298.08493	0.7
298.11594	0.9
299.09534	1.0
299.12881	2.9
309.07703	4.3
310.08389	4.3
313.10760	1.3
324.10141	1.0
325.10754	5.9
340.21762	0.5
343.11963	0.7
353.06653	1.7
368.08728	0.9
369.09714	2.0
387.10803	1.0
433.14902	1.0
549.16138	100.0
550.16528	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	549.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87136	0.6
59.01388	3.7
60.36148	0.6
60.70861	0.6
61.98834	0.8
69.54048	3.9
70.94603	0.6
71.01395	5.7
84.91986	0.6
85.02950	0.7
88.98811	0.7
89.02454	1.7
92.20597	0.7
93.03511	0.6
96.96022	1.5
96.99339	0.8
101.02467	1.7
105.46511	0.7
108.02190	1.6
109.02957	8.5
113.02479	0.8
115.00398	6.0
121.02979	3.1
123.04549	1.7
124.01661	1.4
133.03003	3.6
134.03773	8.3
135.04486	0.8
137.02446	1.0
145.02979	2.9
146.03766	5.4
147.04538	10.6
148.05296	1.8
149.06055	1.1
158.03731	1.6
159.04515	4.0
160.01813	0.9
160.05196	0.8
161.04694	1.4
161.06094	5.5
162.06723	0.8
163.04094	0.7
173.06042	1.0
174.03175	0.9
178.02736	2.7
185.05997	0.9
191.05629	1.1
193.05128	3.5
213.05656	3.7
223.04007	0.8
240.04396	1.3
241.05090	19.2
242.05661	0.7
251.07114	1.2
252.07901	1.0
254.05885	1.7
255.06641	2.6
256.07428	20.6
257.07877	1.4
266.05792	1.1
267.06714	5.3
268.07471	1.9
269.08243	14.3
271.09775	14.3
281.08249	1.7
282.08975	2.9
283.09811	8.9
284.10562	59.6
285.10892	2.4
294.05200	0.7
295.06097	4.0
297.11307	1.4
299.09457	1.1
299.12900	20.1
300.13226	1.0
309.07617	0.8
310.08383	3.5
325.10693	1.6
331.11859	3.0
343.11984	4.5
387.10828	10.1
387.14871	0.9
418.12656	1.1
433.15314	0.8
495.68533	0.6
549.16199	100.0
550.16583	7.0
563.50470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56649	0.7
57.03450	1.0
59.01387	5.8
61.38804	0.7
64.44164	0.7
71.01396	5.2
72.99317	1.3
73.02958	1.4
73.41294	0.7
78.49200	0.9
79.95739	0.8
85.02939	1.4
87.00879	1.2
89.02447	4.2
96.96020	48.6
96.96986	1.8
97.95967	1.5
98.20702	1.4
98.95595	22.8
98.96423	3.6
99.00882	1.2
99.92594	39.1
100.92735	0.8
100.93370	5.2
101.02444	3.5
112.62611	0.7
113.02437	0.9
113.55415	0.8
114.94962	1.3
115.92088	36.2
115.92940	1.7
116.92871	100.0
117.92867	3.0
119.03517	1.4
121.06460	0.7
124.18128	0.8
126.94938	1.6
131.03496	0.9
133.02888	1.1
135.04411	0.8
141.93643	2.3
142.94371	1.4
149.04539	3.9
150.42235	0.9
155.99878	0.7
158.93909	0.8
161.04520	1.5
167.95198	1.0
168.95975	1.5
169.93167	1.2
170.93861	1.5
184.95456	0.8
191.05605	1.0
196.95453	1.1
202.36598	0.9
207.05257	0.8
242.95877	1.3
244.97542	3.6
259.96198	1.0
307.06409	2.4
309.08075	2.0
311.05960	1.5
336.06714	3.3
352.06241	2.7
353.06876	5.0
379.08435	1.1
451.21060	1.1
469.11838	9.9
470.11783	1.2
513.10760	9.2
549.12805	41.2
549.29120	3.0
550.12982	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	549.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22756	1.6
59.01374	7.1
61.98835	19.0
65.46958	1.9
67.14220	1.5
68.99818	2.1
71.01379	5.6
75.00871	2.3
78.95909	4.1
81.96627	1.8
83.01395	19.5
85.02925	2.6
88.98847	2.6
89.02473	2.6
96.96025	26.0
96.96951	10.4
99.00880	6.2
101.02422	3.5
108.02161	3.8
111.00878	14.0
113.02441	2.2
115.00386	9.2
116.92858	12.7
117.01877	2.3
123.00872	1.8
123.04539	5.5
127.00381	2.7
131.05060	2.4
134.03746	11.5
135.04466	2.2
136.98715	1.9
137.02434	3.6
139.00378	37.0
140.00682	2.1
146.03775	2.2
147.04491	4.6
148.05322	55.6
149.06032	7.7
157.01427	29.6
159.04527	3.8
160.01648	3.7
161.02406	6.5
162.03256	8.8
163.04068	3.3
163.07664	28.6
164.04744	5.3
165.01898	2.4
173.06042	2.6
174.03168	3.5
175.03986	13.1
175.07591	2.0
176.04759	2.4
177.05553	19.7
178.02690	2.3
179.07188	2.5
186.06866	4.0
187.04037	3.0
188.04790	5.5
189.05551	5.4
191.05594	3.2
191.07242	2.9
192.04292	6.6
193.05037	6.7
195.06673	2.5
201.05537	4.6
202.02657	3.3
202.06294	6.0
203.03433	2.8
203.07132	2.7
204.04283	2.0
207.06638	33.0
211.06100	2.0
217.05164	3.6
217.08678	8.0
219.06702	5.1
223.06163	3.8
230.05806	6.2
233.08212	4.2
245.04472	4.3
245.08235	16.0
247.06142	10.6
251.05609	67.7
252.05951	4.3
259.05783	2.3
260.19269	2.0
261.04141	1.9
261.07568	3.4
271.06052	2.7
271.09521	2.0
273.04099	17.2
282.08569	2.2
283.03442	1.9
284.10437	2.6
285.53333	2.1
288.06323	1.9
289.07257	9.8
291.05170	23.4
297.11346	3.3
299.12720	2.2
305.06671	3.8
307.08234	5.6
325.10886	2.0
333.06155	81.5
334.06595	2.4
341.10339	2.4
351.07236	22.5
359.74881	2.3
387.14401	5.4
395.09778	3.1
413.10941	28.0
442.26572	2.0
451.12430	5.8
453.10440	2.4
495.11475	100.0
496.11740	7.8
503.74417	2.1
513.12476	6.6
549.09863	10.5
549.17230	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	548.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
59.12132	0.3
60.01728	0.4
61.98836	100.0
64.80819	0.3
67.64370	0.3
68.14941	0.2
70.37341	0.9
73.02946	0.4
75.50243	0.2
96.96030	0.4
98.20764	0.3
121.31606	0.3
141.04637	0.3
158.67952	0.3
233.78667	0.3
322.99579	0.3
375.03903	0.3
402.89447	0.3
474.78513	0.3
488.34366	0.5
508.53836	0.3
517.48749	0.3
548.35535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0891
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.15557	1.3
57.03442	2.3
59.01389	11.9
61.98844	2.5
63.27591	1.1
63.50277	1.4
65.00331	2.6
68.80586	1.3
69.55830	5.9
69.56234	2.8
71.01394	9.3
73.02963	2.8
77.41319	1.3
78.95902	3.0
79.44881	1.2
80.26135	1.2
82.95475	1.5
84.95112	8.1
85.02945	3.0
85.05220	1.3
89.02444	8.7
93.03468	1.8
96.96021	13.5
96.97002	1.9
98.19942	2.9
98.95612	3.3
99.00906	1.7
101.02422	7.2
107.01403	2.7
108.02193	1.4
109.02965	3.7
113.02489	2.8
115.92030	1.4
116.92885	3.5
121.02970	3.0
133.03027	1.5
134.03790	2.0
135.00899	1.4
135.04555	1.9
141.23740	1.2
148.01677	3.1
149.04596	2.4
151.00363	9.1
161.02428	2.2
161.04623	2.0
163.00403	2.8
163.20261	1.3
163.21774	1.5
164.01241	1.3
173.04605	1.8
178.99931	6.4
187.03987	1.5
191.05646	4.6
211.04150	1.4
227.03522	6.1
233.04391	1.7
243.03003	13.7
254.02283	2.4
255.03015	30.9
256.03363	1.9
271.02496	64.2
272.02936	4.1
277.10883	1.7
283.02390	2.0
299.01962	1.7
300.02768	100.0
301.03525	42.1
301.06943	2.9
302.03735	1.9
315.08801	1.9
359.58716	1.4
362.24512	1.5
387.53403	1.3
463.08994	2.8
505.09927	77.9
506.10052	5.6
549.16077	2.5
549.28912	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	547.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47284	0.7
50.97261	0.6
59.01385	100.0
60.01751	0.7
60.99321	1.2
61.98838	6.7
63.84581	0.6
69.55803	0.7
69.72598	3.2
96.96049	0.9
98.20586	1.2
137.42921	0.6
156.17928	0.7
191.14706	0.7
193.70041	0.7
297.53555	0.7
393.28098	1.9
409.31110	6.9
423.32651	5.2
425.34302	11.5
426.35092	0.9
439.31931	0.8
441.34070	0.8
443.35468	2.4
469.33252	11.2
487.34323	17.6
488.34711	1.5
547.37415	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	548.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94657	0.4
59.01385	6.9
60.01709	0.4
61.98837	100.0
71.55978	0.5
98.54809	0.4
119.15696	0.4
123.38474	0.4
172.47997	0.3
177.11179	0.4
391.72797	0.4
457.33041	0.5
458.33679	3.7
466.45386	0.4
548.34485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03452	1.2
59.01385	100.0
60.01722	0.5
61.98848	0.9
71.01390	18.2
71.56602	0.3
72.99327	0.5
73.02950	4.7
76.96249	0.4
81.03484	0.3
83.01393	3.7
85.02956	9.1
86.00087	0.4
87.00906	1.2
89.02451	4.0
91.24841	0.4
93.07111	2.2
94.18424	0.3
95.01387	2.1
97.02943	0.7
99.00909	2.6
101.02457	10.8
101.03118	0.7
111.00915	1.3
111.08211	0.6
111.47400	0.3
111.95920	0.3
113.02463	10.3
119.03516	1.3
125.02435	0.9
129.01991	0.4
131.03476	0.4
143.03500	2.1
159.03026	1.8
161.04572	8.7
173.04623	0.6
177.01988	0.8
191.05698	0.6
192.06049	0.4
197.15479	0.7
205.03532	0.5
213.18732	2.0
325.23740	0.4
343.28726	1.1
357.22824	3.1
375.23880	5.4
375.27649	0.4
469.31885	1.1
487.32806	29.8
488.33023	2.1
505.33887	19.3
506.34378	1.5
526.24915	0.4
547.31317	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	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03450	1.9
58.00599	0.8
59.01384	100.0
60.01720	0.6
60.88972	0.3
61.35470	0.2
61.98838	2.6
69.03465	0.5
71.01389	17.7
72.99312	0.8
73.02954	5.6
81.03479	0.3
83.01396	3.9
85.02959	9.0
86.00107	0.7
87.00887	1.4
89.02463	4.8
89.48682	0.3
93.03477	0.8
93.07119	1.9
95.01391	2.3
96.96036	0.6
97.02965	1.2
99.00887	2.2
101.02448	12.1
111.00900	0.5
111.08164	0.8
113.02464	11.0
115.04095	0.4
119.03517	1.6
120.86742	0.3
124.01679	0.4
125.02446	1.8
127.11396	0.3
129.01962	0.4
131.03569	0.5
143.03523	2.6
149.04620	0.7
150.39558	0.3
159.03000	1.5
161.04579	7.8
173.04503	0.5
179.05672	0.5
182.38377	0.3
191.05664	1.0
192.06049	0.5
193.06143	0.5
213.18573	2.7
217.07791	0.3
288.06183	0.5
343.28519	2.5
355.21460	1.0
357.22870	2.6
375.23926	4.6
385.13083	0.3
457.31915	0.6
469.31720	0.9
475.33694	0.3
487.25903	2.8
487.32736	27.2
488.27182	0.5
488.32602	1.5
505.33853	19.1
506.34280	0.9
547.34784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56781	1.1
55.01876	2.7
57.03445	2.9
58.00604	1.8
59.01384	100.0
60.02432	1.1
61.98831	2.6
69.38715	9.6
70.27584	0.9
71.01385	46.9
72.99278	2.1
73.02955	12.5
74.04981	1.0
83.00896	1.0
83.01369	5.6
85.02967	16.6
87.00877	4.5
89.02454	45.0
93.03444	1.6
95.01382	2.4
97.02983	1.3
99.00880	2.8
101.02449	39.0
104.09833	0.9
111.00886	2.2
113.02449	16.3
119.03529	5.3
125.02466	3.8
129.01892	1.3
131.03526	20.4
143.03494	2.9
149.04575	50.8
159.63121	1.1
161.04558	8.5
191.05638	12.8
233.06570	1.4
251.07626	1.4
293.08881	1.5
343.28766	1.8
355.21228	6.6
375.23758	1.8
376.24786	1.4
457.32254	1.4
487.25430	56.9
487.32748	12.5
488.25598	1.9
505.33762	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	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44569	1.2
54.49866	1.1
55.01875	2.8
57.03448	1.7
59.01385	65.1
59.98495	1.1
61.98829	8.1
69.03459	2.0
71.01391	37.0
72.63474	1.2
72.99311	2.6
73.02953	9.6
78.00537	1.3
83.01389	7.6
85.02962	13.4
87.00879	4.8
89.01933	2.5
89.02455	31.0
92.76871	1.3
93.91351	1.4
95.01386	2.5
97.02966	1.5
99.00891	4.3
101.02454	35.2
111.00854	2.8
113.02461	12.8
115.04041	2.1
119.03482	3.3
125.02440	2.8
131.03519	14.1
143.03522	2.4
149.04558	15.7
159.02945	1.7
161.04591	7.1
179.05672	1.5
191.05653	7.1
233.06674	2.9
258.98486	1.5
355.21326	17.5
487.25549	100.0
487.32483	5.1
488.25900	5.2
505.33569	1.6
547.30328	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01382	3.1
60.19793	0.2
69.44108	1.3
71.01385	1.5
73.02944	0.3
78.95884	0.2
79.95747	2.5
82.95421	1.6
83.01388	0.2
85.02959	0.7
87.00880	0.5
89.02464	1.4
93.03468	0.3
94.98107	0.3
96.96017	100.0
98.19904	0.4
99.04527	0.3
101.02449	1.1
111.00891	0.4
111.69467	0.2
113.02480	0.4
113.92643	0.2
114.93388	0.2
119.03510	0.3
131.03508	0.5
135.04512	0.4
149.04547	0.5
161.02470	0.6
161.04588	0.2
173.04539	0.4
175.02521	0.5
179.03546	0.3
189.12914	0.2
191.05626	1.7
209.11754	0.5
233.06630	0.3
256.71729	0.2
265.07800	0.2
269.13937	1.0
353.08511	0.3
373.18787	0.5
415.23492	0.3
427.12820	0.3
449.20255	2.3
487.14969	0.5
547.13605	0.5
547.28247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
59.01382	15.7
61.35194	1.2
61.98819	1.6
62.58332	1.0
69.03429	1.6
71.01389	3.7
78.95913	1.9
83.01384	12.8
84.95019	1.1
85.02947	2.0
87.00842	1.7
89.02487	3.5
96.96015	10.0
96.96948	2.8
97.02932	3.2
99.00904	2.1
99.04525	1.4
101.02456	1.1
108.02182	9.6
109.02917	1.9
110.00074	1.4
111.00887	100.0
116.92879	2.3
123.04529	17.8
125.02454	9.3
130.37326	1.3
134.03748	6.8
135.04510	2.2
141.01489	1.1
147.36237	1.2
149.06079	6.7
153.05565	1.8
158.03857	1.3
160.76234	1.2
161.02412	2.5
162.03152	1.8
163.03932	1.2
167.03600	6.9
173.04591	2.4
175.03944	2.8
176.04787	34.0
177.01797	1.8
177.05446	1.4
188.04800	7.4
191.05573	5.4
191.07143	39.3
193.04869	1.5
202.06364	1.3
203.07150	3.9
207.06560	2.6
218.05821	3.9
218.71640	1.3
233.04584	2.2
233.08220	7.5
235.06111	30.7
245.08211	1.9
259.06195	1.5
263.09369	2.0
277.07120	2.5
281.10388	1.9
305.06619	2.9
307.08240	16.6
325.09305	58.1
326.09729	3.2
397.11398	92.5
398.11795	5.8
439.12317	2.3
487.14722	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	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81894	1.3
51.83587	1.2
56.17709	1.3
58.00605	1.3
59.01388	26.4
62.00750	1.3
69.59358	1.8
69.59769	6.9
71.01383	14.4
72.99285	1.7
73.02942	2.6
75.00893	7.8
80.22060	1.3
83.01382	1.6
85.02953	5.7
87.00885	3.0
88.98830	3.9
89.02445	16.2
90.45564	1.4
90.46152	1.3
96.96040	8.3
96.96970	2.1
97.02957	1.7
98.03870	1.6
99.04565	1.3
101.02486	7.9
104.58961	1.3
108.02161	2.6
111.00887	9.0
113.02465	8.6
119.03529	6.4
123.04478	2.5
134.03717	6.9
135.04468	3.2
136.05397	1.4
146.76295	1.9
148.05296	5.3
149.06079	13.2
150.06819	2.1
159.04570	1.5
163.07607	6.7
174.03252	1.9
175.03990	4.6
176.04753	8.0
177.05627	3.4
179.05679	2.4
179.07129	2.4
181.05026	5.0
188.04785	5.9
189.05470	2.6
190.02675	1.4
190.06213	1.9
191.05629	2.9
191.07158	10.3
193.05017	3.0
193.08803	1.7
200.04652	1.9
201.05562	2.2
202.02689	3.5
203.06998	1.9
205.05098	2.5
205.08620	3.2
207.06659	2.7
209.08211	1.7
217.05046	4.7
221.04599	4.0
221.08170	6.4
230.05832	4.5
233.08202	3.5
234.05212	2.0
235.06113	10.9
235.09694	1.6
245.08270	7.8
248.06866	4.4
253.07227	1.8
263.09271	14.5
267.08752	5.1
271.06006	1.4
301.10699	2.5
307.08185	7.0
325.09271	8.7
397.11441	13.8
417.12680	1.6
487.14606	100.0
488.14853	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	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81534	1.0
59.01385	45.4
65.51205	0.9
69.27528	7.4
71.01407	1.2
73.02953	2.9
82.81416	0.9
85.02971	1.7
96.96020	2.9
98.19862	1.3
108.02187	2.6
111.00899	6.0
121.02934	1.0
123.04527	2.9
134.03748	8.1
148.05264	2.6
149.06096	6.7
152.62691	0.7
153.05479	1.3
159.04514	1.1
163.04073	2.4
164.04811	1.7
175.04012	3.4
176.04788	63.4
177.05345	1.6
178.02762	1.1
179.07178	1.1
189.05461	1.1
191.07138	79.1
192.07542	1.7
193.05157	2.2
194.05858	1.3
205.05048	1.0
209.08199	1.7
220.03706	1.4
221.08176	1.5
233.08339	0.9
235.06119	55.3
236.06425	1.4
238.38205	1.0
245.08257	2.1
248.07166	0.9
249.12988	0.8
253.07236	4.4
263.09299	3.8
277.07172	1.2
281.10251	6.3
288.64716	1.0
307.08307	1.0
325.09293	100.0
326.09665	3.5
397.11337	7.7
415.12405	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92532	0.4
57.11952	0.3
67.96661	0.3
69.40741	2.8
71.01376	0.9
72.99331	0.5
75.00876	0.5
78.95911	60.8
79.95737	1.1
83.01397	0.3
85.02988	0.3
87.00848	0.4
96.42169	0.4
96.96046	22.0
96.96967	100.0
98.19917	0.8
110.71516	0.4
117.72218	0.4
122.05782	0.4
144.69928	0.4
147.04527	0.4
151.55632	0.3
176.04878	0.5
177.05661	0.5
180.88222	0.3
191.05550	0.4
191.07182	0.7
199.74194	0.4
217.18942	0.4
231.62537	0.3
249.04156	0.3
282.09818	0.4
313.46030	0.4
349.44684	0.4
438.60461	0.4
547.14325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35027	2.6
57.03449	13.8
58.00608	3.4
59.01386	100.0
61.98843	13.2
71.01392	78.0
71.54629	3.5
72.99310	4.0
73.02966	13.9
73.94198	3.0
78.95898	15.5
82.14713	2.8
83.01381	8.9
85.02962	23.7
87.00854	14.7
89.02452	90.6
93.03477	11.9
96.96024	70.7
96.96986	10.8
99.00912	5.4
99.04542	8.6
99.92600	4.9
101.02451	52.9
109.02954	9.6
111.00901	11.2
111.04594	4.8
111.48134	3.4
113.02469	22.8
115.92097	3.8
116.92886	11.4
119.03512	14.0
121.02946	4.0
125.02427	11.7
127.03960	3.8
128.46947	2.8
131.03513	20.5
131.07143	8.5
134.03728	4.8
135.04558	12.6
137.02443	5.3
143.03522	5.1
149.04575	50.9
155.10747	5.2
161.02458	5.2
161.04517	21.4
165.09193	5.4
173.04549	27.4
175.02449	4.6
175.03911	3.9
179.03477	11.9
179.05623	6.2
187.04161	7.0
189.11330	10.4
191.05637	65.8
191.07176	6.2
199.09764	4.3
205.12344	3.8
225.07710	4.0
235.06145	38.2
241.14476	9.6
289.07401	7.8
353.08823	3.7
355.17953	3.7
373.09131	6.1
373.15189	3.4
385.18445	4.7
415.15991	3.8
415.23413	4.0
431.43552	3.5
487.21756	45.5
488.22092	4.6
511.31119	8.4
547.20258	5.3
547.29089	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3489
Annotation	Pouogenin E
Peak:m/z	Relative Intensity
50.95962	0.6
57.03462	3.3
59.01385	100.0
60.99311	3.4
61.98857	1.0
70.77608	1.4
70.77942	1.1
72.99316	1.1
76.62470	0.6
80.63237	0.6
85.02983	2.6
92.14970	0.7
93.03463	0.9
96.96027	1.1
158.38309	0.7
191.05678	1.5
329.24991	4.5
354.66565	0.7
369.28305	1.0
381.31689	3.3
385.27533	1.1
397.27444	9.9
403.30115	1.7
405.31982	2.2
406.84085	0.8
407.29553	5.9
419.29742	0.7
421.31128	9.2
423.32730	22.8
424.33252	1.9
425.31085	1.5
437.30511	4.5
441.34033	3.2
455.31732	8.3
467.31750	8.5
485.32764	62.9
486.33224	4.8
509.32874	0.7
529.31635	1.9
531.41492	0.7
545.35669	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	547.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59206	0.4
57.05196	0.3
59.01378	0.5
71.01389	0.4
71.55371	0.4
71.55820	0.6
72.19994	0.3
78.67266	0.3
78.95911	65.1
79.95745	1.0
82.74917	0.4
87.00925	0.4
87.44820	0.4
96.96020	30.5
96.96972	100.0
98.95566	0.4
119.37312	0.4
147.04558	0.8
161.34839	0.4
164.07114	0.5
191.05611	0.9
191.07173	0.4
196.56586	0.4
216.91827	0.4
235.06346	0.4
325.09039	0.4
373.99994	0.4
487.14600	0.4
547.14886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.03451	15.8
59.01385	100.0
60.99314	7.7
61.98823	8.8
71.55373	4.1
72.84811	2.5
77.84221	2.5
85.02947	6.2
96.96014	3.7
101.59618	2.4
113.00771	2.3
133.45027	2.3
153.82112	2.5
173.04494	3.9
187.19017	2.5
191.05611	6.7
217.00336	2.7
241.48085	3.1
371.21039	2.5
381.27847	2.9
385.27499	27.2
423.32608	9.5
437.30023	3.0
441.33676	3.3
455.31595	4.6
483.35117	5.1
485.32800	96.5
486.33026	7.6
545.34564	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08484	0.4
59.01385	12.8
60.23424	0.4
60.93629	0.4
61.98841	1.4
69.98409	0.9
69.98829	1.2
71.01393	0.8
72.99316	100.0
73.99645	0.6
75.00879	2.7
75.06498	0.4
85.02988	0.5
85.12070	0.4
91.00376	29.4
93.03487	0.6
96.96022	1.7
101.02477	0.7
111.04560	0.5
113.02458	0.5
125.09840	0.5
126.51816	0.4
146.02414	0.4
173.04552	0.5
191.05600	1.1
253.09239	0.6
291.19531	0.5
309.20825	0.6
411.12567	0.5
453.33746	14.4
454.34039	1.0
530.46460	0.4
545.35504	5.3
566.52502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.8
59.01386	49.2
61.98845	1.8
69.03454	1.2
71.01389	29.9
71.27388	1.3
73.02953	4.9
81.03463	1.1
83.01404	1.5
85.02961	17.4
86.00131	2.1
86.99651	1.2
87.00890	27.6
87.04529	2.1
89.02454	45.1
93.03472	19.7
99.00857	1.7
99.39340	1.1
101.02451	20.3
105.87746	1.3
109.02935	1.5
111.04514	4.1
113.02463	7.7
119.03544	3.5
121.00006	1.3
127.04025	2.9
129.01900	1.5
131.03522	20.6
134.03590	1.2
137.02396	2.1
143.03568	1.3
149.04573	42.2
155.03496	4.1
158.03740	1.7
159.04538	2.7
171.03004	1.3
171.04564	1.5
172.05246	1.7
173.04573	19.2
173.05965	2.2
178.02798	1.6
182.03770	1.5
183.04504	1.5
186.06883	9.6
187.07646	5.2
191.05626	100.0
192.05951	1.9
199.03960	2.4
200.04733	2.8
200.56610	1.3
201.05600	3.1
201.09236	3.0
211.07722	3.7
212.08495	2.9
214.06352	13.5
215.07117	13.6
226.02768	1.4
229.08730	12.2
230.09406	3.7
236.43306	1.2
255.06744	1.6
255.13724	1.3
256.07498	14.2
274.08478	1.6
283.13351	1.3
309.14914	2.9
311.12970	2.9
317.95816	1.2
325.14331	1.5
327.16238	1.6
353.13867	10.9
353.17953	1.3
353.19641	1.3
371.15131	11.7
485.23962	38.2
485.30887	2.4
486.24231	2.1
509.25766	1.4
545.20300	9.9
545.32550	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	545.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33291	1.0
57.03444	1.4
59.01384	52.4
60.99327	1.3
61.98835	10.7
67.01897	3.2
69.03433	1.5
69.29025	7.4
71.01015	1.4
71.01394	24.5
72.99351	1.0
73.02958	5.7
81.03449	2.1
83.01411	2.6
83.05051	2.9
85.02966	13.3
87.00885	38.2
88.13040	1.1
89.02454	30.5
93.03467	23.8
95.01398	1.7
97.02985	1.0
98.19782	1.2
99.00876	1.6
101.02446	18.8
109.02985	1.2
111.00945	1.2
111.04523	4.9
113.02449	5.6
119.03519	4.2
125.02426	1.8
127.03994	2.3
131.03517	10.8
137.02458	2.4
143.03566	1.1
145.71187	1.0
149.04561	24.1
149.05713	1.5
155.03537	3.7
158.03745	2.0
158.07375	4.1
159.04547	3.9
161.04568	1.8
171.04514	1.9
172.05292	4.4
173.04593	27.2
173.06062	5.3
174.06827	2.8
177.01958	1.6
181.08682	1.5
182.03754	1.4
183.04555	1.4
186.06857	12.1
187.07657	12.0
189.09193	2.0
191.05626	100.0
192.05989	1.2
199.04079	1.3
200.04892	5.0
201.05598	9.0
201.09196	7.2
209.11693	1.3
211.07605	3.7
212.08363	2.9
213.09232	1.3
214.06371	18.8
215.07123	26.3
226.02757	1.3
227.03476	1.7
229.08679	18.6
230.09496	6.1
231.10292	1.6
241.05176	1.7
245.04582	1.5
255.06641	3.1
256.07419	19.9
257.08041	1.4
274.08435	6.2
283.13599	1.8
309.14847	2.2
311.12814	4.7
327.15979	2.2
353.13849	6.0
353.19934	1.5
365.73108	1.2
371.14990	16.8
383.11057	1.7
485.24011	31.2
485.30991	3.2
544.77173	1.4
545.20215	11.3
545.33795	8.0
546.20471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90089	0.7
54.25002	0.7
57.03450	1.0
57.94867	0.6
59.01393	4.5
61.98854	0.7
69.71448	2.9
69.71874	1.2
71.01376	3.7
73.02953	1.0
78.72490	0.8
78.95914	41.7
79.95736	2.8
85.02962	1.5
87.00863	1.9
89.02454	2.0
93.03466	2.9
96.96013	100.0
96.96967	66.5
101.02470	0.8
113.02494	0.9
132.98230	0.8
149.25089	0.7
155.03510	0.9
173.04576	4.2
177.01921	1.0
177.59195	0.8
191.05650	7.9
292.57849	0.9
316.65558	0.7
318.59921	0.8
353.13885	1.4
371.15015	1.7
383.11371	0.8
477.33347	0.8
512.92566	0.9
545.19202	2.7
545.25751	1.3
545.32928	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	545.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90089	0.7
54.25002	0.7
57.03450	1.0
57.94867	0.6
59.01393	4.5
61.98854	0.7
69.71448	2.9
69.71874	1.2
71.01376	3.7
73.02953	1.0
78.72490	0.8
78.95914	41.7
79.95736	2.8
85.02962	1.5
87.00863	1.9
89.02454	2.0
93.03466	2.9
96.96013	100.0
96.96967	66.5
101.02470	0.8
113.02494	0.9
132.98230	0.8
149.25089	0.7
155.03510	0.9
173.04576	4.2
177.01921	1.0
177.59195	0.8
191.05650	7.9
292.57849	0.9
316.65558	0.7
318.59921	0.8
353.13885	1.4
371.15015	1.7
383.11371	0.8
477.33347	0.8
512.92566	0.9
545.19202	2.7
545.25751	1.3
545.32928	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	543.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.5
59.08078	0.9
61.98845	4.4
65.22292	0.9
69.03493	0.9
71.01377	1.3
71.55073	1.0
72.99339	1.0
73.02927	1.2
75.17509	0.9
77.61654	1.0
85.02976	0.9
101.02424	1.6
116.04095	0.9
125.09753	0.9
173.04573	1.2
191.05667	1.6
209.11794	1.3
441.33752	100.0
442.33997	6.3
543.33478	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	545.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83434	0.2
59.01377	0.5
61.98826	0.4
67.17971	0.2
69.59822	1.5
71.01386	0.5
78.95909	20.9
79.95747	2.4
85.02941	0.3
85.65405	0.2
87.00883	0.3
89.02460	0.3
93.03465	0.5
96.96014	100.0
96.96964	32.8
98.19884	0.3
101.02478	0.3
102.44450	0.2
123.04533	3.0
127.00356	0.4
135.04518	0.5
153.05576	4.5
173.04570	0.7
191.05641	0.9
209.01285	0.8
233.06575	0.3
241.00237	0.6
246.89758	0.2
248.58017	0.3
251.02303	0.8
293.08850	1.7
353.39429	0.3
354.40741	0.2
447.15179	2.2
453.90585	0.3
485.09686	2.3
545.12537	0.4
566.18896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38662	12.5
59.01393	100.0
61.98830	43.5
72.99292	22.4
74.39548	12.0
75.00851	24.1
76.62138	11.9
79.66885	12.4
80.81167	14.6
89.02451	76.4
96.96024	25.1
117.26945	14.1
160.09818	13.5
439.31995	43.8
485.32547	25.2
543.27405	23.8
543.36609	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	4.6
59.01385	92.0
61.98833	45.8
64.37489	3.3
67.01890	8.1
69.03472	6.6
69.24191	38.5
71.01395	25.4
73.02945	7.7
75.00879	4.3
85.02966	10.0
87.00883	8.7
89.02468	18.3
93.03465	42.7
96.96970	4.6
97.95190	4.0
98.19958	11.0
99.00851	5.9
101.02439	20.7
111.04508	8.3
113.02461	10.6
119.03559	6.5
141.25645	4.3
161.04561	7.8
167.16599	4.0
173.04610	49.8
179.07039	4.1
191.05640	37.7
192.40187	4.6
197.11821	16.5
199.07620	6.6
201.11374	4.4
213.05640	6.8
227.07210	12.2
228.07927	5.9
229.08699	4.5
276.65323	4.8
289.18109	12.3
297.36829	4.1
307.19162	5.6
369.13336	7.8
373.09464	7.0
408.11890	3.9
483.29498	5.9
499.25555	5.3
505.33667	6.7
507.35324	13.0
525.26868	9.5
543.20062	4.8
543.33209	100.0
544.33484	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	541.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78936	0.3
58.31553	0.3
59.01379	1.7
60.99313	14.1
62.72062	0.3
67.66330	0.3
68.58028	0.3
69.47256	1.1
69.47684	1.3
71.01383	1.0
75.00883	1.1
76.01260	0.3
77.01359	0.4
78.95887	0.5
83.01352	0.3
85.62250	0.3
87.00874	1.1
88.00417	1.3
88.98814	100.0
89.02443	5.9
89.99140	0.5
93.03441	0.5
96.96031	0.8
96.96967	0.7
98.20761	0.3
101.02441	0.6
113.02450	0.4
137.06137	0.3
149.04514	0.5
152.99597	0.5
181.01358	0.3
191.05655	0.9
225.11400	0.4
236.00887	0.3
249.17201	0.3
481.23019	0.4
530.12836	0.3
541.35846	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	541.3158
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
53.48697	2.5
57.03447	2.8
58.14428	2.8
59.01378	18.2
61.98837	13.1
65.89529	2.6
69.35360	20.0
71.01385	12.5
73.02947	6.2
83.05030	5.1
85.02977	4.8
86.59757	2.3
87.00878	5.0
87.04561	3.8
87.35138	2.5
89.02460	4.9
97.06650	3.6
101.02449	9.6
109.06615	4.2
111.04527	4.1
133.56648	2.7
148.38686	2.4
152.45840	3.0
161.04564	2.4
188.05345	3.0
218.95966	2.4
433.57404	3.2
481.26566	15.0
497.31241	8.7
505.33795	41.8
520.95441	2.7
541.31171	100.0
542.31750	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	541.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81771	3.9
59.01382	28.5
61.98592	3.7
61.98839	44.7
69.22456	41.4
71.01369	19.8
71.05011	4.8
73.02960	12.7
83.52214	3.6
85.02941	6.3
87.00880	10.5
89.02433	24.4
98.20759	7.1
99.00897	7.3
99.04552	5.0
101.02441	8.5
113.02464	6.5
125.02451	6.9
131.03473	5.0
149.04611	6.0
151.07625	11.6
153.36328	4.1
173.04559	7.6
201.11380	5.6
229.08684	6.6
230.09534	4.9
467.70789	4.2
479.30270	9.4
481.32074	5.8
497.31104	15.1
505.33670	21.1
541.19476	6.2
541.22278	6.2
541.31195	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	541.3153
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01374	12.0
61.60627	6.4
70.47560	17.9
88.98880	6.5
92.87296	5.7
165.64651	5.5
225.11237	7.0
310.03006	6.3
505.33514	16.1
541.31592	100.0
542.31390	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	541.3154
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01389	15.5
64.64859	5.6
69.86765	33.0
71.01366	7.5
94.19395	5.8
222.57497	7.7
255.17079	5.6
323.63159	7.1
336.93411	6.7
338.48337	6.2
345.04471	6.4
505.33829	18.8
541.31458	100.0
565.98499	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	541.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02679	4.0
57.03447	10.3
59.01385	57.4
61.98839	99.4
65.68374	4.0
67.01895	3.9
71.01391	32.0
71.05042	7.6
72.99306	3.8
73.02966	21.1
73.99785	3.8
75.00917	3.9
78.95916	14.0
83.01335	4.1
83.05025	6.0
85.02959	15.0
87.00885	12.7
89.02455	23.3
93.03473	15.9
96.71841	3.6
96.96020	8.5
96.97001	5.4
97.06606	15.5
99.04558	12.3
101.02458	21.2
109.06609	16.2
109.68266	3.4
111.04500	8.1
111.08161	10.9
113.02478	7.7
113.06153	4.1
119.03550	5.1
122.38757	3.3
123.00859	3.8
123.04546	4.5
123.08176	19.2
125.02451	13.2
125.06107	5.0
127.07681	6.6
131.03490	6.2
133.02994	7.6
135.04552	14.3
136.05315	7.6
137.02448	11.2
137.06129	3.4
137.09703	4.0
139.07687	4.2
143.10797	4.6
149.04521	5.9
151.07669	37.3
153.05623	5.7
157.08670	9.3
159.10355	3.8
161.02505	3.8
161.04614	6.2
165.05473	4.1
165.09274	4.4
169.08708	4.4
172.43234	3.7
173.04565	54.4
178.02744	5.8
179.03494	10.0
191.05623	10.0
201.11174	5.2
217.14267	3.8
221.04547	5.0
250.41817	3.5
262.25302	3.5
262.77795	3.1
353.19696	7.9
367.21365	7.7
395.24243	4.0
397.18494	6.5
409.25656	4.5
444.12823	21.1
452.97995	3.9
479.31064	19.9
481.26443	8.5
497.31497	37.0
505.26950	5.9
523.29224	6.1
541.30652	100.0
542.30963	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	541.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92904	4.5
58.00602	5.3
58.88778	4.6
59.01385	87.5
61.98825	15.0
62.37646	4.4
66.92593	5.5
71.01382	69.8
71.56196	9.2
72.99293	8.6
73.02951	7.8
75.00883	5.9
78.95913	11.5
82.95417	7.5
83.04807	4.2
85.02966	12.6
87.00890	7.6
88.37619	4.4
89.02454	100.0
89.12528	3.9
93.03456	5.7
96.96020	24.5
96.96986	10.5
101.02453	39.5
107.19352	5.2
113.02459	29.9
114.33984	4.4
119.03529	33.5
129.05396	4.9
131.03532	4.5
133.02943	6.0
135.04588	6.2
143.03554	8.2
149.02431	9.5
149.04529	5.6
161.04549	15.4
162.54475	4.5
164.04802	6.1
179.05618	32.4
181.05093	6.3
191.05617	19.3
213.05663	9.3
223.06085	7.1
241.05095	51.2
241.23933	5.0
255.06615	12.6
256.07480	35.8
270.08954	9.5
271.09787	50.9
301.10858	10.7
331.11951	6.1
352.54675	4.6
361.22232	12.3
379.15970	7.9
391.13818	7.4
541.14667	8.0
541.28986	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.9
57.26819	3.8
57.43601	3.8
59.01387	43.6
61.98834	100.0
71.01376	25.1
71.05023	7.8
72.99294	4.6
73.02942	13.8
83.05033	5.5
85.02971	20.9
87.00875	9.8
89.02445	16.6
93.03442	7.4
95.85862	4.1
95.94057	3.7
97.06597	13.6
98.20659	10.0
99.04530	8.2
101.02451	14.2
101.06123	5.3
108.61946	3.9
109.02988	5.0
109.06586	13.3
111.08185	9.5
113.02473	7.5
116.92832	5.2
119.03487	9.2
123.04580	7.1
123.08176	5.5
125.02478	23.8
125.06077	8.1
125.09691	5.8
127.07671	11.1
129.05626	4.1
133.02972	6.0
134.03766	4.9
135.04585	8.6
136.05298	13.3
137.02417	5.6
137.06131	6.2
137.09732	6.2
139.07657	6.0
146.94720	3.5
149.06044	4.0
151.07668	59.3
153.09256	4.5
157.08723	23.8
165.05525	4.2
169.08723	5.3
173.04562	23.7
179.03606	4.4
191.05656	8.4
202.95033	4.0
321.16943	8.6
339.18039	5.5
367.21146	7.4
444.12640	15.2
461.29419	11.6
467.30200	20.8
479.30463	22.8
481.32056	7.3
497.31467	26.6
505.26038	6.8
523.28217	5.4
541.24036	40.2
541.30829	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.53432	2.9
69.56673	0.5
76.53178	0.5
88.96324	0.6
106.39373	0.5
155.28595	0.6
161.42244	0.5
271.22748	1.4
281.92163	0.6
301.49826	0.5
455.35342	19.8
456.36050	1.3
505.70343	0.7
540.33099	71.9
541.33380	4.9
541.41034	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	540.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88651	0.5
61.98835	100.0
63.79685	0.4
90.84544	0.5
94.43106	0.4
116.53290	0.5
136.55835	0.5
455.35406	8.4
456.35641	1.0
458.36176	0.7
468.58411	0.5
490.50345	0.5
540.33057	62.5
541.33234	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06260	3.7
59.01382	10.6
61.98835	100.0
71.56477	3.9
102.93471	3.7
151.27336	3.6
184.55428	3.9
220.01112	3.7
222.24059	3.8
408.90359	4.4
459.34430	4.2
540.35620	10.7
550.02655	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	540.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36583	0.5
56.73423	0.4
57.03460	1.1
58.00614	0.5
59.01384	8.3
61.98836	100.0
64.74435	0.5
71.01388	4.7
71.56747	0.7
72.99315	0.8
73.02972	2.1
75.00872	1.3
78.95927	0.5
79.65207	0.5
83.05047	0.6
85.02959	3.0
87.00900	0.9
88.98851	0.6
89.02452	3.5
93.03478	1.4
95.01434	0.7
97.06602	0.9
99.04519	1.0
101.02448	4.4
102.02802	0.7
103.98582	0.6
105.50211	0.5
107.05000	0.6
107.07556	0.5
109.06614	1.2
111.04550	0.9
111.08177	0.8
112.27879	0.5
113.02487	1.8
119.03549	0.9
123.08202	0.9
125.02481	2.0
125.06072	0.8
127.07720	0.6
130.24934	0.5
131.03552	0.8
135.04550	0.8
136.05305	0.8
137.02434	0.8
143.03522	0.6
151.07695	2.3
152.07932	0.6
153.05536	0.6
158.77905	0.6
161.04573	1.1
173.04628	1.6
179.03491	0.7
179.05695	0.7
191.05630	1.4
193.80589	0.5
206.70612	0.6
253.09656	0.6
282.10120	1.0
283.10916	0.7
291.07513	0.6
294.60754	0.6
449.29233	0.7
466.16293	1.3
477.29172	0.6
479.32077	1.3
480.32388	0.9
481.26697	0.7
496.30048	0.7
497.31461	0.6
508.17276	1.1
539.34216	3.8
540.31335	3.4
541.30682	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	540.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09344	2.0
56.09674	2.2
59.01374	7.6
59.76093	2.3
61.98833	100.0
67.28093	2.6
69.42808	8.9
69.43230	8.3
71.01387	4.9
71.55457	2.2
87.05619	3.2
89.02439	4.9
96.70160	2.3
96.96013	4.4
103.64655	2.2
107.03779	3.7
113.43410	2.3
122.06153	14.1
125.02475	6.7
129.06691	6.7
138.05618	6.7
139.08821	2.6
144.06682	3.3
144.07787	2.7
152.07190	28.9
160.04062	7.0
171.07785	6.1
186.08827	5.2
190.05054	3.6
191.05640	3.6
192.06693	19.1
199.03992	2.6
215.03485	2.8
224.06528	3.0
227.03625	3.5
242.02303	3.2
243.03003	25.5
250.34981	2.1
257.04565	8.6
270.01682	5.4
271.02457	25.6
285.04111	14.4
286.04846	5.8
299.02023	8.3
300.02661	6.7
314.04327	47.6
315.05048	11.3
325.11765	4.9
326.24585	3.1
349.08313	2.5
355.13156	3.1
355.45996	2.6
357.14526	19.6
464.18329	4.2
477.10388	98.8
478.10641	10.8
498.17639	2.3
504.25137	2.4
508.17294	10.4
539.34442	4.8
540.21820	12.0
540.30396	36.5
541.23053	5.6
541.30878	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	539.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51601	2.0
57.03450	6.2
59.01390	46.7
61.98837	7.7
71.01386	27.5
71.55032	1.8
71.55456	2.7
72.99284	2.7
73.02955	8.4
75.00884	31.7
83.01393	2.9
85.02964	11.4
85.50312	2.0
87.00886	5.4
89.02449	21.4
93.03452	3.5
95.01418	2.4
96.96014	5.6
101.02468	18.1
113.02456	9.5
119.03551	5.3
129.91017	2.1
145.18773	2.0
147.81778	2.2
149.04587	5.3
158.53275	1.9
163.06026	2.5
173.04575	4.0
191.05666	7.0
226.43958	2.2
377.29037	17.4
503.12146	9.2
539.22607	36.8
539.34326	100.0
540.34735	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	539.315
Annotation	Panduratin B
Peak:m/z	Relative Intensity
53.61458	1.3
54.03983	1.4
57.03450	2.0
59.01372	4.9
61.98829	7.0
71.01376	3.3
77.93363	1.3
96.95995	6.2
103.70068	1.4
140.22406	1.3
143.20418	1.3
160.08693	1.4
217.00238	1.7
229.41655	2.2
274.96155	1.4
374.98981	1.8
413.34119	2.6
438.55707	1.4
441.33759	2.7
457.33270	96.7
458.33578	7.4
503.33896	13.3
539.32184	100.0
540.32593	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	539.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11409	0.3
55.01872	1.2
57.03445	2.7
58.00596	1.0
58.41942	0.3
59.01382	25.2
61.98834	4.1
64.95969	0.3
67.01875	0.3
67.38165	0.3
69.03448	0.6
71.01386	24.8
71.05022	0.4
72.01707	0.4
72.99301	1.7
73.02951	4.6
79.94174	0.4
81.25387	0.3
83.01389	2.8
83.05035	1.9
85.02960	7.0
87.00900	1.6
89.02450	16.0
91.05528	0.5
93.03437	0.6
95.01390	1.4
95.05016	1.6
97.06598	4.1
98.19844	0.8
99.00891	1.1
99.04544	0.4
101.02450	14.2
101.03113	0.7
101.06110	0.4
109.06612	3.0
111.00863	0.7
113.02464	6.4
113.06071	1.6
119.03513	4.0
123.04545	0.4
125.02483	0.7
127.11278	1.5
131.03502	0.7
137.02380	0.6
143.03514	0.5
149.02583	0.3
149.04515	0.6
151.07657	0.9
159.02930	0.5
161.04558	1.2
173.04559	0.8
179.05679	0.7
191.05655	0.8
213.18648	3.0
297.24188	0.5
299.25937	0.3
315.25381	9.0
327.25555	2.3
359.28098	1.0
377.29071	13.9
378.29297	0.8
477.30215	0.6
479.25388	0.6
479.32172	2.2
489.30618	0.5
495.29605	0.9
505.97086	0.4
518.60443	0.3
521.33350	0.7
535.06049	0.3
539.34418	100.0
540.34857	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	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74328	1.8
55.01888	3.9
57.03450	3.3
59.01383	51.0
59.76482	1.8
61.98829	16.2
69.03483	2.6
69.54695	13.2
71.01391	38.0
71.05040	3.2
72.01730	3.5
72.99292	3.2
73.02951	11.6
78.95908	2.8
83.01408	7.0
83.05056	4.2
85.02950	13.8
86.03316	2.0
87.00909	3.6
89.02453	15.3
93.03480	7.3
95.01395	2.2
95.05014	2.0
97.02972	2.3
97.06625	4.9
99.00896	5.0
101.02452	25.6
109.06581	2.3
111.00952	4.3
113.02457	12.3
113.06064	2.3
115.02790	2.0
116.92874	18.7
119.03478	3.2
125.02470	4.6
137.02419	2.4
143.03497	2.0
151.07727	2.1
152.08482	1.8
152.99652	3.8
161.04558	5.3
173.04544	14.0
179.05884	2.0
191.05554	2.8
213.18648	2.8
219.06960	2.0
223.13577	2.0
242.57323	2.0
313.44214	1.9
315.25534	6.1
315.36594	1.9
351.18341	2.2
352.45905	1.8
360.71768	2.1
365.19714	3.6
377.29132	8.7
407.27048	2.5
457.75626	6.4
477.31064	3.3
479.25610	3.1
479.32465	5.4
495.30008	5.8
503.25665	2.2
538.78528	8.5
539.21936	14.7
539.34546	100.0
540.34760	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03453	5.9
57.15000	1.2
58.00586	2.6
59.01386	100.0
61.98828	7.5
64.71439	1.4
66.13953	1.3
71.01389	75.5
72.99318	6.5
73.02955	10.3
75.00862	2.0
76.15413	1.4
77.16864	1.3
83.01401	9.1
85.02956	17.6
87.00876	9.4
89.02451	93.4
89.51673	1.3
90.02760	1.6
93.03437	2.2
95.01401	4.2
96.96029	14.8
96.96978	3.1
99.00896	3.0
101.02451	41.9
108.02211	2.0
111.00900	3.1
113.02459	32.1
114.02843	1.4
119.03517	31.4
121.02973	6.1
122.03748	7.1
125.02490	1.7
129.01979	1.9
131.03525	5.9
133.02928	2.2
134.03758	2.9
135.04500	1.5
143.03516	5.9
145.02980	2.3
149.02443	10.1
149.04588	4.5
149.06110	2.7
150.03235	35.9
159.02989	1.5
161.02448	5.2
161.04535	7.0
162.03249	16.0
164.04819	4.1
165.05591	38.5
166.06364	11.1
173.04668	1.9
177.05609	12.5
179.03592	1.3
179.04004	1.6
179.05618	14.7
179.17761	1.3
180.04337	3.0
181.08714	5.8
182.02077	1.4
191.05556	3.5
195.06648	17.4
197.04584	1.5
249.07721	3.9
274.00961	1.7
314.11972	1.9
329.13947	2.8
343.13940	3.9
347.17038	3.4
359.11224	2.1
377.03000	1.4
377.29028	6.4
441.13483	2.0
479.21213	14.8
491.19315	37.7
492.20023	1.9
538.29358	5.7
539.20514	2.9
539.27582	3.7
539.35492	29.2
540.34784	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	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54188	2.3
57.03438	7.5
58.00593	5.1
59.01385	100.0
61.98843	16.6
71.01385	59.5
71.05018	2.4
71.55244	4.2
72.99306	13.1
73.02950	16.0
75.00883	2.3
83.01386	4.8
83.05034	3.6
85.02955	15.7
87.00861	6.9
87.04510	3.4
88.98798	4.1
89.02448	68.1
93.03478	17.2
94.03790	5.3
95.01409	3.4
95.05016	5.2
97.06599	6.1
99.00904	4.0
100.73908	2.3
101.02453	44.0
101.71455	2.4
103.26511	2.3
109.02972	2.4
109.06638	4.8
111.00846	2.5
111.04518	4.4
111.08174	3.0
113.02465	26.8
119.03528	26.8
123.08167	6.3
125.02441	6.9
125.06084	3.3
131.03503	4.3
135.04504	3.3
137.02458	38.0
138.02837	11.2
139.02902	4.8
143.03511	5.3
149.04576	7.1
149.06110	2.0
150.65840	2.6
151.07632	9.0
151.11288	2.4
161.04526	7.2
173.04521	6.8
179.05643	15.0
191.05638	4.7
230.93956	2.4
359.28079	4.9
371.34607	2.1
377.29108	8.4
467.82013	3.4
477.28745	6.9
479.32065	7.7
495.29321	10.2
513.91071	2.7
539.21875	5.4
539.27771	19.0
539.33862	56.5
540.33801	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	538.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.9
61.98837	100.0
64.85406	1.3
69.58672	8.9
71.01398	7.0
77.39042	1.3
87.00871	1.4
87.93242	1.4
89.02444	8.5
96.95953	2.0
101.02424	3.5
102.48487	1.3
109.02953	9.0
109.06613	2.3
113.02511	2.0
119.05030	4.2
121.02960	6.4
131.03470	1.8
135.04543	3.4
136.01605	1.8
137.06084	22.8
149.04562	3.2
172.00691	1.6
176.04855	1.3
181.05081	75.8
182.05405	1.8
191.05656	4.7
193.70639	1.3
220.49547	1.6
267.06696	2.1
268.07074	2.1
282.08853	2.2
293.08783	1.8
297.11359	3.1
298.11636	3.9
304.84680	1.4
319.55115	1.4
324.89447	1.5
327.12317	2.3
328.12744	5.8
345.13257	3.1
346.13782	2.9
364.55304	1.4
375.14044	1.9
376.08847	1.6
376.14911	4.0
462.16891	1.7
475.14603	75.5
476.14865	5.2
506.98260	1.8
526.81152	1.4
538.25964	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	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91627	0.2
59.01382	1.4
61.98835	100.0
64.67561	0.2
71.01402	0.7
71.56640	0.2
71.56991	0.2
73.02932	0.2
75.00871	0.4
85.02969	0.2
89.02470	0.3
93.03474	0.8
94.03827	0.3
95.40070	0.2
101.02467	0.5
103.04018	0.2
108.18932	0.2
109.51280	0.2
121.49002	0.2
125.02520	0.2
133.69376	0.2
137.02449	1.5
138.02820	0.7
163.06093	0.2
167.10832	0.7
168.11087	0.4
220.89796	0.2
244.06958	0.2
302.19705	0.2
335.59967	0.2
381.61050	0.2
455.75085	0.2
456.25204	0.5
456.75241	0.9
457.25629	0.2
489.77530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28099	2.2
59.01385	100.0
61.98831	12.2
66.89410	1.4
93.28271	1.5
94.09626	1.4
96.96017	1.9
98.19926	3.3
102.15247	1.9
114.83386	2.1
162.06862	21.4
166.96422	1.5
177.09230	24.2
201.18219	1.5
229.42989	1.8
395.21420	1.9
455.31836	2.1
477.35889	10.7
501.32050	3.4
537.32501	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01723	0.9
61.98834	5.3
69.51826	2.6
69.52265	3.3
70.72819	0.8
78.95891	1.3
79.54885	0.8
95.05151	0.9
98.19872	1.2
102.03141	0.8
162.06882	28.8
177.09230	28.8
178.09567	1.1
257.31400	0.9
444.32785	1.0
453.55615	0.9
455.31720	6.2
459.34619	1.0
470.28000	0.8
477.35849	10.5
501.32327	1.4
537.31897	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	537.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43882	0.3
60.28940	0.4
61.98833	4.5
69.46329	0.4
70.05734	1.8
75.39126	0.4
82.86160	0.4
99.92591	0.5
102.72118	0.4
113.92112	0.5
123.45515	0.6
123.61260	0.4
173.17165	0.4
252.18243	0.4
455.35339	100.0
456.35605	6.8
464.52405	0.5
537.35681	55.0
538.36011	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	537.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69329	0.7
54.31704	0.6
54.79783	0.6
59.01388	1.1
61.98835	3.2
63.76166	0.6
70.68957	0.9
70.69293	1.2
115.92103	2.2
278.81528	0.7
378.31104	0.6
407.33041	1.1
455.35333	100.0
456.35748	6.7
537.35651	61.0
538.35828	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	537.3285
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01884	1.5
57.03464	2.6
58.00594	1.2
59.01385	57.1
60.77617	0.6
60.99308	2.1
61.98836	5.0
69.03461	0.7
71.01389	23.9
71.56696	0.6
71.57085	0.8
72.01691	0.9
72.99300	3.1
73.02950	5.5
75.00880	7.0
77.57635	0.6
83.01393	3.8
85.02956	9.0
86.00089	0.5
87.00878	3.1
88.98815	13.2
89.02454	21.7
93.03464	1.5
95.01387	1.6
96.02974	0.5
97.02988	0.8
97.06595	0.6
99.00898	2.1
99.04531	0.6
101.02454	18.9
101.03102	1.1
108.02187	0.7
108.86134	0.5
109.02956	0.6
113.02459	10.1
119.03507	6.7
123.04619	0.6
125.02465	0.9
126.21030	0.6
131.03555	1.7
134.03773	0.6
137.02441	3.5
143.03557	1.3
143.04637	1.1
149.04463	0.7
159.02927	0.7
161.04601	3.9
173.04636	0.9
179.05615	1.6
191.05658	1.9
236.04356	0.7
243.06812	1.4
251.16562	0.6
261.81519	0.6
287.22296	0.7
315.25546	0.9
357.26682	1.0
374.72260	1.0
375.27649	0.8
383.22797	1.7
440.20911	0.6
455.74686	3.4
456.25443	12.4
456.75745	4.0
463.27200	0.6
477.30841	5.3
481.43207	0.5
519.31476	0.7
527.29565	0.6
536.77655	1.9
537.33044	100.0
537.78503	2.1
538.33575	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	537.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.3
61.98838	6.6
68.30154	0.7
71.55253	1.3
77.88995	0.8
78.95902	1.2
96.96970	1.1
99.92596	14.6
100.92777	0.8
100.93370	5.1
102.95423	0.7
110.08229	0.7
115.92086	100.0
116.92060	2.5
116.92868	3.6
117.97126	0.8
132.00211	1.0
132.92369	1.3
219.62799	0.7
227.47447	0.8
437.30542	2.5
439.30829	0.8
455.35297	33.3
456.35614	1.4
537.23193	67.4
537.35303	21.8
538.23639	6.6
538.35571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	3.1
57.44930	0.8
58.00592	1.1
59.01387	39.1
61.98830	1.8
70.14237	1.8
70.14639	1.4
71.01392	18.4
73.02951	3.9
78.95914	1.2
83.01409	2.6
85.02968	7.2
85.06595	0.9
87.00890	2.2
89.02455	15.0
93.03457	1.6
95.01392	1.6
96.96026	2.3
97.02910	0.8
99.00874	2.1
101.02450	14.1
106.64822	0.7
113.02452	7.2
119.03493	3.7
121.02995	1.2
131.03500	2.0
134.03899	0.7
135.04526	1.6
143.49524	0.7
149.04555	3.4
157.20654	0.7
161.04602	3.0
163.06136	1.4
173.04567	2.9
177.05576	1.1
177.09212	0.9
179.03511	1.0
179.05656	1.3
179.07068	0.8
191.05641	2.8
331.17734	2.3
357.13568	0.8
357.26364	1.8
363.20251	1.0
375.27591	10.4
475.34280	1.4
477.23425	6.1
477.30832	2.5
489.63062	0.8
500.99417	0.8
507.20569	1.8
537.20667	6.1
537.32880	100.0
538.33295	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.56604	1.2
58.00589	2.2
59.01388	56.2
60.99320	6.5
61.98831	1.8
69.03455	12.6
69.10102	1.2
69.62443	6.9
70.51803	1.3
71.01388	48.9
72.99328	3.4
73.02946	6.6
75.00881	1.5
79.01907	5.3
81.03448	2.7
83.01405	3.0
84.50468	1.4
85.02959	10.6
87.00876	4.8
88.00413	3.8
88.98814	36.6
89.02451	100.0
95.01423	3.1
97.02976	8.7
98.20626	2.7
99.00887	1.6
99.04547	1.2
101.02467	14.0
107.01415	10.7
108.02185	28.5
109.02968	15.9
111.00913	2.7
113.02464	11.3
119.03506	4.6
123.00883	3.6
125.02461	21.6
131.03542	11.7
135.00902	17.0
137.02443	1.8
139.03984	1.3
143.03481	2.2
148.90964	1.7
149.04584	13.6
151.00377	2.9
152.01157	39.4
153.01944	50.4
173.04512	1.5
189.14418	1.4
191.05637	5.4
195.02994	4.4
197.05998	2.4
214.50616	1.3
233.06612	1.7
243.06654	15.7
293.08719	6.8
327.07309	3.3
348.46155	1.6
369.08383	1.4
429.10306	28.2
430.10641	1.9
455.74445	2.0
458.31992	1.4
477.30664	2.9
536.31018	1.6
536.77460	2.2
537.11584	1.9
537.33258	19.9
538.33838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	33.4
71.01406	33.8
71.33411	12.3
75.75850	7.3
79.85658	6.7
89.02451	25.7
101.02467	21.8
131.03438	8.6
133.02924	6.8
141.70374	8.0
149.04539	16.8
157.66075	7.0
201.01723	9.2
375.06885	17.0
449.40680	7.0
528.31421	7.7
537.21014	100.0
537.33124	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	537.2113
Annotation	11beta,12alpha-Diacetoxycedrelone
Peak:m/z	Relative Intensity
59.01383	21.7
60.15372	7.9
69.23295	7.8
69.59573	30.1
69.60001	20.7
71.01382	17.8
89.02449	30.4
98.19930	14.4
101.02443	20.1
113.02427	9.8
135.04529	8.7
149.04549	29.6
191.05714	6.9
212.96809	6.9
375.07114	8.2
444.45093	8.0
537.21222	100.0
537.32526	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
60.97876	0.5
69.45749	4.1
71.01381	6.6
73.02943	1.3
75.00856	0.9
83.01394	0.6
85.02940	2.6
87.00878	0.6
89.02447	6.1
93.03462	1.3
98.19904	1.1
101.02450	3.6
108.02186	10.6
109.02970	1.6
111.00890	0.7
113.02451	2.4
119.03484	2.0
121.02971	3.5
122.03776	1.4
123.04529	10.9
124.01640	0.6
132.02214	0.6
133.02962	6.5
134.03725	2.4
135.04526	4.9
136.01628	1.2
137.06093	0.8
147.04529	1.2
149.02428	0.9
149.04602	1.0
149.06032	0.8
150.03224	1.5
151.04047	0.7
155.03397	0.6
161.02458	16.0
161.04565	0.9
165.05606	1.4
173.04536	2.3
174.03236	2.2
175.03949	4.7
176.04796	56.0
177.05290	2.1
179.03493	3.3
179.05737	0.9
179.07100	3.3
184.01707	0.6
190.06238	0.7
191.05780	3.9
191.07146	100.0
192.07477	2.3
205.08774	1.3
209.08212	12.8
232.95172	0.6
287.05518	0.7
315.12561	1.9
339.12402	4.6
345.13437	66.3
346.13852	1.9
363.24265	1.3
375.14514	18.9
376.14801	0.9
483.15213	0.9
511.80698	0.5
537.16406	3.6
537.29083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12911	0.9
51.77848	0.9
59.01391	6.3
60.47520	0.9
61.98829	5.0
63.88884	0.9
68.11540	1.0
69.66107	3.2
69.66522	2.5
71.01385	4.3
73.02971	1.2
75.00892	1.0
78.95893	1.0
85.02964	2.1
87.00887	1.6
87.82387	0.9
89.02463	4.0
93.03458	1.8
96.96004	2.8
96.96957	1.2
101.02461	3.3
108.02177	7.0
109.02962	14.0
113.02451	1.8
121.02969	2.8
122.03764	2.8
123.04508	8.5
129.55280	0.9
133.02972	3.5
134.03764	1.4
135.04532	6.8
136.01663	7.2
137.02475	1.0
137.06172	1.4
145.02892	1.2
146.03761	3.5
147.04535	2.1
149.02443	1.1
149.04541	2.8
150.03238	2.9
151.04048	8.7
161.02457	11.3
161.06126	2.2
163.04013	1.1
165.05563	3.6
172.05374	2.4
174.03171	2.4
174.48128	0.9
175.04039	8.6
176.04796	36.0
177.05440	1.3
179.03496	2.8
179.07066	2.3
186.40013	1.0
188.04846	1.1
189.05592	6.2
190.06317	4.9
191.05667	3.8
191.07147	57.8
192.07515	1.5
193.01286	1.0
208.03726	1.9
209.08200	4.8
223.06151	4.0
233.06032	1.1
239.07083	1.2
251.07156	4.1
262.06293	1.5
266.05859	1.8
267.06647	10.2
268.07147	1.6
278.05960	1.6
279.06512	10.7
281.08139	2.2
282.08984	6.3
293.08176	1.8
294.09018	8.0
296.10428	2.4
297.07785	3.5
297.11325	12.8
309.11218	2.0
312.10052	18.6
313.10538	1.6
315.12445	4.1
323.07700	3.8
327.12372	100.0
328.12762	5.3
345.13419	39.3
346.13721	2.8
357.13437	20.9
363.23587	1.7
375.14484	22.4
376.14996	1.3
537.16248	6.7
537.25568	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	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16877	0.2
55.01873	0.5
57.03439	0.5
58.00608	0.5
59.01381	8.5
60.01725	0.4
61.98829	0.4
65.03962	0.3
67.46210	0.2
68.99574	0.2
69.03472	0.3
69.86672	0.8
71.01385	6.7
72.01751	0.4
72.99312	0.5
73.02943	2.3
75.00883	0.2
81.03471	0.2
83.01389	1.2
85.02950	3.2
86.00102	0.5
88.98800	1.4
89.02454	4.9
93.03465	38.8
94.03805	0.6
95.01380	0.3
97.02970	0.4
98.20652	0.2
99.00883	0.4
101.02455	5.1
102.02794	0.3
103.04000	0.3
109.02957	0.3
111.00868	0.3
112.98583	0.4
113.02458	1.9
119.03519	0.6
121.02968	0.4
123.04560	0.3
125.02437	0.7
131.03497	1.2
137.02454	100.0
138.02803	1.9
139.11261	0.2
148.78870	0.2
148.90448	0.2
149.04575	1.0
152.01154	0.4
159.03017	0.5
161.04561	1.0
191.05634	0.5
199.07664	4.0
233.06673	0.3
243.06636	5.9
293.08835	0.8
304.65509	0.2
374.72461	0.3
382.21567	0.4
382.71915	0.6
455.24609	3.3
455.74829	7.7
456.25208	2.8
527.77136	0.3
528.27374	0.2
536.26746	1.8
536.77509	9.9
537.16095	0.7
537.26331	2.6
537.33820	0.7
537.77972	0.5
549.95166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36429	0.2
59.01378	2.1
60.99302	0.3
61.98822	0.4
63.43431	0.2
65.00325	0.6
66.78457	0.2
68.99580	1.0
69.03459	0.3
69.53255	1.0
69.53672	0.2
71.01395	1.4
72.04023	0.2
73.02943	0.4
75.00878	0.3
80.02686	0.4
81.03453	0.2
85.02984	0.5
87.00928	0.2
88.98815	1.6
89.02450	1.6
91.01904	13.1
93.03484	1.0
95.01383	0.9
98.19859	0.2
101.02460	1.1
107.01389	0.2
107.05069	0.6
108.02182	16.3
109.02345	0.3
109.02980	3.3
112.98583	1.1
113.02455	0.7
119.03430	0.2
121.02959	0.7
123.00899	4.6
124.01666	0.5
131.03442	0.2
135.00894	12.6
137.02460	5.4
149.04510	0.2
152.01163	14.8
153.01834	0.5
169.06726	0.2
197.06128	1.4
199.07651	0.6
213.05576	1.0
215.07176	0.8
225.05725	0.2
241.05083	0.3
242.05936	0.2
243.06624	100.0
243.84651	0.2
244.06995	3.1
261.44150	0.2
429.10434	1.1
455.24722	0.3
455.74878	0.5
456.25403	0.5
477.30627	0.2
502.48425	0.2
531.23846	0.2
536.77826	0.4
537.16150	6.3
537.33490	2.8
538.16162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78583	1.0
61.98835	100.0
70.77359	3.4
80.37053	1.1
92.97469	1.2
101.75926	1.1
108.21262	1.2
115.76845	1.2
116.11088	1.1
120.05306	1.2
123.74051	1.3
147.79332	1.1
151.77420	1.1
190.08255	1.3
201.78368	1.2
245.67319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19976	2.3
69.16129	2.2
71.55109	2.9
71.55466	3.8
78.95916	41.4
89.02457	3.7
96.96973	100.0
119.57085	2.7
126.51326	2.3
127.87836	2.6
134.33060	2.0
150.74385	2.3
176.93538	5.8
191.05563	4.2
194.94679	8.0
195.05150	5.0
201.11670	3.0
207.38606	2.2
209.06841	2.5
223.41029	2.4
247.15276	2.6
341.10873	9.5
373.09381	3.8
429.63275	2.9
439.08704	7.3
537.14069	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	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98587	0.9
55.01887	1.7
56.97112	0.9
57.01475	0.9
57.03446	1.4
58.00600	2.7
59.01384	52.7
60.01727	1.3
60.99306	2.9
61.13292	1.0
61.98849	1.1
63.71478	1.0
69.03462	13.8
71.01389	54.6
72.99342	1.8
73.02969	6.1
79.01894	7.5
81.03467	2.8
83.01394	2.9
85.02953	10.1
87.00888	4.2
87.20441	0.9
88.00410	2.1
88.98811	15.8
89.02452	100.0
95.01404	3.4
97.02956	12.2
98.20700	2.5
101.02454	12.4
107.01404	16.6
108.02180	36.4
109.02967	15.6
111.00891	2.1
113.02453	8.6
119.03501	2.1
123.00920	4.5
125.02459	23.6
131.03519	13.2
135.00900	25.7
137.02463	2.3
143.03488	1.3
149.04558	18.6
151.00392	3.5
152.00203	1.0
152.01163	53.8
153.01950	63.1
191.05658	7.4
195.02979	4.8
197.06013	3.8
233.06686	3.5
243.06651	20.6
293.08810	8.4
327.07248	4.5
369.08188	1.7
429.10379	39.9
430.10825	1.6
455.74713	2.2
477.30240	1.4
537.12292	1.3
537.32935	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	535.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98840	7.0
62.70074	1.2
64.14150	1.2
71.55402	1.6
88.39094	1.2
96.96033	6.0
185.65904	1.3
226.72356	1.2
244.35571	1.2
435.28690	2.2
453.30463	2.3
453.51938	1.3
475.36798	1.2
499.29990	1.5
518.42499	1.3
535.30957	32.8
536.31085	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	535.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
59.01386	100.0
61.98840	10.9
66.26050	1.4
69.30511	4.9
69.30917	6.4
71.01408	1.8
73.02953	15.7
78.95950	1.4
82.97598	1.4
94.76971	1.4
125.02432	1.9
144.57404	1.6
153.50726	1.5
441.33664	2.0
473.36554	3.6
475.38004	74.9
476.38339	5.7
535.32135	5.2
537.56622	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	535.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13159	1.2
53.74044	1.1
59.01384	100.0
60.01702	1.5
61.98831	11.0
67.88338	1.0
71.01378	1.2
71.54369	1.6
78.95894	1.5
80.31958	1.2
89.02489	1.2
107.12199	1.3
453.34076	1.3
475.38095	19.2
535.35724	1.3
538.49445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3125
Annotation	glas#24
Peak:m/z	Relative Intensity
50.02522	0.4
55.01873	0.6
57.03450	2.3
58.00584	0.8
59.01384	20.0
61.98838	4.2
69.03466	0.8
71.01385	12.8
71.05045	0.5
71.55957	0.6
72.99298	1.8
73.02953	3.3
83.01391	1.4
83.05022	0.5
85.02955	5.6
87.00870	1.5
89.02451	7.0
93.03452	1.0
95.01391	0.9
96.96006	1.8
97.06580	0.4
99.00871	1.4
101.02454	8.2
101.06098	0.5
107.04945	0.5
109.02927	0.4
111.00893	0.5
113.02460	3.8
114.33382	0.4
119.03529	2.3
123.08163	0.8
125.02423	0.7
125.09713	1.3
127.11286	0.7
131.03493	0.6
137.09833	0.5
141.09250	0.6
153.09082	0.5
155.10745	1.0
159.03003	0.4
161.04536	1.6
171.10298	3.7
173.04533	1.8
177.01884	0.4
179.05713	0.4
181.19083	0.4
191.05635	1.2
199.13403	0.7
209.11885	0.6
213.56798	0.4
268.45932	0.5
275.11380	0.6
294.49649	0.4
301.40591	0.5
329.26938	1.2
355.24805	3.5
373.25940	11.2
374.26321	0.8
455.24445	0.9
475.29697	0.6
517.30017	1.6
535.31250	100.0
536.31781	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	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.0
57.03451	9.0
58.00602	2.6
59.01386	71.1
66.58221	0.7
69.03461	2.0
69.73413	2.5
69.73823	1.4
71.01389	98.7
72.99318	4.7
73.02954	30.5
73.03365	1.6
75.00893	2.1
78.79270	0.6
82.35258	0.7
83.01396	19.8
85.02958	48.6
86.00166	0.6
87.00867	5.5
88.11492	0.7
89.02454	42.9
93.03481	1.7
95.01411	7.3
96.96021	2.0
97.02966	2.6
98.20611	0.8
99.00901	11.8
99.04533	2.7
101.02452	100.0
102.02799	1.2
111.00869	1.2
113.02458	44.5
119.03515	16.9
119.04343	1.2
121.02969	1.3
125.02422	3.3
129.01917	1.4
131.03526	2.1
133.03001	1.2
135.04532	1.6
143.03511	8.4
149.04564	2.1
159.03003	7.0
161.02412	2.4
161.04570	49.7
173.04536	4.1
179.03513	0.8
179.04048	1.1
179.05629	10.2
188.24362	0.6
191.05652	1.9
205.03465	1.2
211.16994	1.3
212.29642	0.8
233.45934	0.8
237.40108	0.8
326.68561	0.7
331.04642	1.0
338.94894	0.7
361.18732	1.4
373.22311	59.7
374.22537	2.9
535.27618	69.9
536.27948	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.6
57.03454	5.2
58.00595	2.4
59.01386	40.2
61.98826	0.7
65.00330	1.3
67.01889	1.1
69.03445	0.9
71.01389	86.7
71.54828	0.5
72.01730	0.9
72.99320	3.9
73.02953	25.2
75.00896	2.3
78.95916	0.5
81.03458	0.7
83.01396	14.5
83.05032	0.6
84.02160	0.6
85.02960	42.9
86.00122	1.7
87.00895	4.1
87.04565	0.5
89.02454	24.3
93.03477	1.5
94.66121	0.3
95.01395	8.1
96.96004	2.5
96.96973	0.9
97.02981	2.0
99.00887	11.8
99.04557	0.5
101.02454	59.8
102.02789	0.5
102.31340	0.4
107.01423	1.3
109.02966	1.7
111.00892	2.3
111.04572	0.4
113.02464	36.0
116.92931	0.4
119.03510	10.7
120.03879	0.3
121.02983	2.6
123.00827	0.6
123.04491	0.4
124.01708	1.5
125.02472	3.2
129.01999	1.8
131.03520	2.2
133.02960	0.7
135.04552	2.0
137.02420	0.8
137.09740	0.5
139.04053	1.1
141.01900	0.4
143.03517	3.8
147.04541	0.4
148.04138	0.4
149.02487	1.2
149.04509	2.1
151.00375	5.2
152.01140	1.4
155.03568	0.8
155.10797	2.1
159.03020	8.5
160.05191	0.4
161.02406	1.7
161.04568	33.6
162.02888	0.4
162.04906	0.4
164.01230	0.5
169.01448	0.3
173.04559	2.8
174.04955	0.4
177.05605	0.4
178.99889	2.5
179.03523	0.9
179.05618	4.4
191.05629	4.8
199.09793	1.2
205.03578	0.9
211.16985	0.4
219.06746	0.8
221.08391	0.5
227.03435	0.5
231.06633	0.4
242.05917	0.7
250.78572	0.4
253.01520	0.4
255.03111	1.0
256.40140	0.4
267.02884	0.5
268.07428	0.6
269.00977	1.5
270.08841	0.5
271.02554	1.5
283.02490	0.4
285.11462	2.0
293.06650	0.6
299.01926	0.4
300.02698	5.6
300.52930	1.2
301.03522	0.6
303.08615	0.6
311.01956	1.4
329.03369	0.4
329.10522	0.5
331.08273	1.4
353.08878	3.1
361.21884	0.5
373.09622	0.7
373.22311	23.6
374.22739	1.4
381.05386	5.6
381.55615	1.3
405.06335	0.4
419.04465	0.5
438.40869	0.4
445.17209	0.4
454.08304	8.1
454.58304	2.5
463.09430	0.6
478.10522	0.4
491.08411	1.4
499.14096	0.4
535.10718	7.6
535.27655	100.0
535.60938	2.3
536.11469	0.4
536.28076	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	535.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01385	3.2
61.98835	1.5
63.11246	0.2
70.55636	0.2
71.01399	0.3
71.56411	0.3
78.95914	0.2
83.05048	0.3
85.02947	0.3
87.58119	0.2
89.02465	0.5
98.20119	0.2
106.04271	0.2
107.05049	0.3
109.03048	0.2
111.00912	0.2
113.02496	0.3
119.03539	0.2
121.02978	0.7
132.02109	0.2
133.01947	0.3
133.02972	7.5
134.03777	4.7
135.04546	25.3
136.04893	0.4
137.02464	4.0
139.04016	1.0
139.07750	0.2
150.03313	0.3
161.02466	16.8
162.02802	0.6
178.02736	1.3
179.03525	13.7
180.03822	0.3
202.06448	0.2
203.07217	0.2
231.62553	0.2
255.84430	0.2
373.20212	100.0
374.20554	5.4
438.19266	0.5
502.62454	0.2
517.59192	0.2
535.25830	1.3
535.33752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
57.90155	0.8
59.01385	11.5
59.05111	0.8
60.01704	0.8
61.98832	1.5
64.30394	0.7
69.23553	4.6
69.23974	2.8
71.01397	5.7
72.99305	0.7
73.02946	1.5
78.95913	28.5
79.95741	2.4
83.01434	0.9
85.02946	2.4
89.02448	3.3
96.96013	100.0
96.96969	40.9
101.02454	4.2
107.37872	0.7
113.02464	1.9
118.96687	0.9
131.03523	1.2
133.02948	2.0
134.03833	1.0
135.04546	8.5
137.02484	1.6
146.53767	0.7
151.04066	1.1
152.99577	1.7
161.02452	4.8
161.04515	1.1
171.10303	0.9
173.04451	1.7
179.03514	4.1
191.05688	1.3
209.11905	0.9
209.59291	0.8
230.09262	0.7
355.18991	1.0
357.20773	1.0
374.22061	1.1
389.89920	0.8
403.26782	2.8
455.24872	1.5
505.19052	1.0
517.19159	1.1
535.25439	19.5
536.25732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1831
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
57.03443	2.0
59.01105	2.3
59.01382	17.8
61.98823	5.3
69.44683	7.4
69.45094	3.0
71.01381	12.0
72.99325	2.4
73.02933	4.0
75.00887	2.3
75.19337	1.4
78.95909	3.0
81.03469	1.5
82.95438	1.7
83.05031	1.8
85.02956	6.5
87.00883	4.4
88.98800	3.3
89.02441	9.3
93.03481	9.8
96.96013	16.0
96.96972	3.4
101.02458	8.2
104.05076	3.3
108.02190	3.2
109.02961	33.7
111.04503	1.8
113.02473	3.7
119.03523	4.0
121.02962	2.7
122.03803	2.6
123.00877	4.4
123.04555	3.4
124.01630	2.7
129.01913	1.7
133.02991	2.8
133.81271	1.5
134.03763	9.9
135.04514	4.3
136.01675	18.6
137.02457	2.4
145.02966	2.7
146.03740	12.2
147.04541	4.2
148.01680	7.4
148.04071	2.3
149.02444	2.7
149.04480	3.6
149.06096	8.3
150.03210	7.1
151.04027	24.4
152.04710	1.7
153.05559	5.6
161.02480	6.4
161.04547	3.6
161.06073	4.4
162.03265	3.1
162.49394	1.6
163.04028	17.8
164.01183	9.8
164.04788	11.8
165.01929	7.0
165.05493	2.3
166.02739	23.0
166.04991	7.8
167.03484	3.5
167.05386	2.8
173.02441	1.4
173.04539	5.9
175.04073	3.2
177.01968	3.4
177.05598	2.4
178.02696	8.8
179.03427	3.3
179.05716	2.3
179.07152	22.5
181.05084	100.0
182.01047	1.4
182.05368	2.1
188.04759	1.5
191.03873	2.4
191.05576	11.1
192.04262	4.4
193.05077	21.0
197.70502	1.6
207.06644	2.5
210.04019	3.8
211.04385	2.3
211.06157	23.2
254.05876	9.7
255.06740	3.9
269.08203	20.3
270.08890	4.7
284.10577	5.0
285.11227	11.0
298.08459	6.0
310.08524	2.3
313.10831	25.5
325.11050	2.3
328.09479	3.6
329.55792	1.6
343.11874	61.4
344.12241	3.8
347.90518	1.6
358.10629	1.8
373.12881	87.6
374.13217	6.2
463.21713	2.5
535.19232	3.1
535.28345	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
58.00595	4.2
59.01384	100.0
60.89122	1.2
61.98842	10.3
71.01389	61.6
71.55402	1.5
72.99326	4.9
73.02943	2.3
79.32108	1.2
83.01392	3.0
85.02967	12.0
87.00887	6.4
89.02451	97.5
90.02799	1.4
93.03471	2.0
95.01389	3.3
99.00900	1.3
100.93333	1.4
101.02448	29.5
108.02209	1.3
109.02987	3.3
113.02461	29.2
113.91993	1.4
117.38435	1.6
118.94011	1.3
119.03510	42.9
131.03500	5.8
135.04533	2.3
136.01675	12.1
143.03506	6.7
144.74750	1.3
149.04564	3.6
151.04024	14.5
159.04512	2.0
160.05295	5.4
161.02467	2.5
161.04538	7.3
166.02663	1.5
173.04622	2.6
173.06012	1.7
175.07596	2.6
179.05649	21.5
181.05081	3.6
187.04004	3.6
188.04773	4.3
191.05698	3.1
191.07211	1.6
192.27649	1.4
193.05087	1.6
209.06178	1.5
211.05902	1.3
221.06090	2.4
237.05634	10.1
238.06082	1.9
249.05547	10.3
250.06352	4.4
251.07230	1.6
252.07826	3.6
261.05698	3.1
263.07065	1.8
264.07928	14.1
265.05045	13.0
265.08630	5.6
267.06674	1.6
276.07797	2.1
277.04926	3.1
279.06702	4.0
280.07458	17.9
281.08029	3.7
292.07385	3.9
294.08960	2.4
295.06479	1.9
295.09805	23.9
296.10440	2.0
307.09750	4.5
309.07709	2.4
309.11063	1.8
310.08459	4.9
313.11017	1.8
325.10822	10.7
337.10886	2.4
343.11636	3.0
355.11890	64.5
356.12225	3.2
366.91833	1.5
373.12833	3.6
416.97842	1.3
535.03381	1.6
535.17957	3.5
535.31641	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	535.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19825	0.7
56.87859	0.7
59.01386	6.0
61.98845	0.8
71.01392	8.4
73.02927	1.0
75.00894	3.7
78.95911	1.4
85.02965	2.2
87.00911	1.1
88.19913	0.7
89.02444	4.8
89.16341	0.8
91.29844	0.7
93.03468	1.7
96.96009	3.4
96.96960	0.9
101.02428	2.4
108.02167	3.5
109.02973	8.8
113.02492	1.8
115.00384	8.5
119.03494	1.1
121.02975	2.5
122.03748	18.5
123.04555	0.8
124.01672	10.0
125.02481	1.6
133.02962	19.5
134.03745	1.6
135.04550	8.9
137.02466	3.7
146.03712	1.5
147.04527	11.0
148.05321	8.5
148.18793	0.7
149.04584	1.0
149.05983	0.7
151.04024	2.4
154.02736	3.3
159.04581	1.0
160.05321	2.2
161.06093	8.9
163.04041	1.8
173.04538	1.8
179.03535	5.1
191.05632	6.2
192.05809	0.8
213.05661	1.4
221.06677	0.7
241.05016	3.8
242.05873	21.3
243.06288	1.1
251.07346	0.8
252.07892	1.0
255.06668	2.9
256.07419	1.7
257.08224	24.8
269.08264	3.2
270.08987	18.1
277.26309	0.8
283.09763	5.1
284.10181	0.9
285.11346	100.0
286.11591	5.9
296.26044	0.8
329.10263	12.5
341.08612	1.1
373.09241	5.0
419.13477	1.8
535.14606	60.3
536.14490	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	535.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71712	0.9
53.69056	0.9
53.83285	1.0
56.77838	0.9
59.01108	1.2
59.01382	11.5
61.98819	4.0
64.57184	1.0
69.53244	6.1
71.01391	11.2
73.02939	1.5
78.95891	5.2
85.02955	2.9
87.00880	2.4
89.02451	6.1
93.03448	2.3
96.95463	1.6
96.96031	18.4
96.96967	9.0
97.02965	1.4
101.02450	3.8
108.02182	3.7
109.02968	7.7
111.00863	1.5
113.02471	1.7
114.05633	1.0
115.00377	3.5
121.02986	2.7
122.03756	15.4
123.00914	1.1
124.01672	10.6
131.03545	2.3
133.02966	20.0
134.03743	1.5
135.04539	11.9
137.02423	3.4
147.04543	11.9
148.05328	7.2
149.04572	3.9
149.06049	1.4
151.00258	1.1
154.02727	3.9
160.05293	2.4
161.04745	1.7
161.06090	9.9
163.03986	3.2
173.04558	3.1
179.03514	6.0
191.05644	11.8
192.06013	2.0
196.06706	1.0
213.05510	1.7
224.33531	1.0
241.05038	3.0
242.05856	16.3
255.06569	2.7
256.07526	1.4
257.08231	16.9
268.07513	1.3
269.08160	4.4
270.08990	17.3
283.09637	5.1
285.11334	100.0
285.65689	1.1
286.11694	4.5
311.18082	1.0
329.10349	9.0
361.22363	1.3
373.09219	6.5
454.08151	2.4
535.14563	62.9
535.23083	2.2
536.14667	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	535.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27330	0.9
51.86235	0.8
51.90518	0.8
59.01386	1.7
64.90636	0.9
71.01390	3.9
75.00874	4.0
76.35228	0.7
85.02970	0.9
89.02412	0.9
90.98672	0.8
96.96020	3.7
96.96988	1.5
108.02171	3.6
109.02949	8.6
111.51028	0.8
111.51896	0.6
112.47424	0.8
115.00373	5.3
115.08084	0.8
121.02969	1.8
122.03754	19.5
123.04497	0.9
124.01662	8.6
133.02965	22.1
135.04541	2.0
135.76050	0.9
137.02467	2.2
146.03706	2.1
147.04536	11.6
148.05348	7.7
149.06120	1.0
151.03969	1.6
154.02730	2.8
160.05376	1.8
161.06070	10.4
163.04094	1.8
179.03455	2.3
191.05576	1.9
213.05602	1.9
225.42519	0.7
228.72925	0.8
241.05077	2.9
242.03429	1.2
242.05856	17.3
255.06648	3.0
256.07498	1.4
257.08182	16.7
268.07446	1.0
269.08249	4.1
270.09003	18.8
283.09805	5.2
285.11334	100.0
286.11679	5.4
291.88828	0.8
329.10321	7.9
336.80698	0.8
373.09225	5.8
419.13617	1.7
521.60681	0.9
535.14606	61.1
536.14941	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	534.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98835	20.4
69.54026	5.2
71.01371	1.3
89.02445	1.1
89.03988	1.8
96.96025	1.0
97.46260	0.6
98.20605	1.4
98.76654	0.8
105.03484	3.6
109.02938	1.2
116.56564	0.7
122.03769	1.5
125.02448	0.9
129.10165	0.7
133.02963	8.1
134.26117	0.7
135.04549	1.0
147.04512	1.0
149.02502	0.9
152.57756	0.7
161.06073	1.2
176.01196	0.9
177.01939	100.0
178.02278	3.0
191.05611	1.5
224.77922	0.7
234.89989	0.9
242.05907	1.3
257.08270	1.7
269.08133	1.1
270.08990	1.0
285.11292	10.5
329.10278	1.1
471.11465	33.3
472.11996	2.6
535.14502	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	534.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.18189	3.4
106.60127	1.7
113.30352	1.6
158.76630	1.8
269.03497	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
60.32743	0.5
61.98837	100.0
69.34979	1.8
69.35409	2.0
86.24855	0.5
88.33288	0.5
93.59032	0.5
110.16219	0.4
144.68558	0.5
148.30807	0.5
250.26497	0.5
336.27194	0.5
367.77679	0.4
471.34818	37.8
472.35117	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	533.3306
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
53.00361	0.4
53.09969	0.4
55.01880	2.2
57.03452	3.3
58.00587	2.4
58.89508	0.5
59.01384	44.6
61.98819	1.7
69.03456	1.0
71.01388	40.9
71.55910	0.8
72.99323	3.0
73.02558	0.9
73.02950	9.9
78.95924	0.6
82.95441	0.6
83.01390	4.4
83.05006	0.5
85.02955	14.2
86.00134	1.0
87.00883	4.1
87.04530	3.0
89.02452	23.9
93.03459	0.8
95.01398	2.7
96.96018	1.0
96.96944	0.6
97.02959	0.6
99.00899	3.5
101.02457	24.5
111.00897	1.9
113.02457	15.2
114.02884	0.5
119.03518	10.0
121.04075	0.5
125.02457	1.1
125.09711	0.5
127.11250	0.6
129.01930	0.6
131.03506	2.8
135.04509	0.5
143.03526	2.7
146.63649	0.5
148.13985	0.5
149.04564	2.2
153.12933	0.7
159.02992	2.2
161.04559	7.0
163.40096	0.6
167.14423	0.5
169.12318	0.7
171.10342	1.1
171.13959	0.9
173.04512	0.7
175.35426	0.6
177.01881	0.9
179.05608	2.0
183.13924	1.3
187.92099	0.5
191.05585	1.6
201.15001	0.6
202.60469	0.5
211.13416	2.7
222.95570	0.5
229.14497	4.1
262.48697	0.6
269.55890	0.5
270.06564	0.5
293.21350	2.4
307.26501	0.8
307.54968	0.5
311.22198	2.1
325.27695	0.7
327.25488	0.5
329.23224	3.6
342.84186	0.5
353.23245	0.7
353.26987	3.7
371.28027	11.3
391.19153	0.6
401.25436	2.7
473.28214	1.1
491.28406	3.4
497.52362	0.5
515.32092	1.5
533.33948	100.0
534.34338	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	533.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11523	0.3
54.46004	0.3
55.01914	0.9
57.03454	2.0
58.00624	0.7
59.01386	22.3
61.98859	0.6
63.93405	0.3
69.03477	0.6
69.62131	1.7
71.01390	14.1
71.05054	0.8
72.99353	1.5
73.02953	4.5
78.95945	0.6
81.03517	0.5
83.01395	2.3
83.05086	0.6
85.02958	5.2
86.00150	0.4
87.00878	2.0
89.02454	6.1
89.28652	0.3
95.01445	0.9
96.96009	2.2
96.97005	0.8
97.03001	0.7
97.06615	0.8
99.00929	1.4
99.08156	2.2
101.02464	8.0
107.20444	0.4
111.00961	0.4
113.02460	4.1
119.03510	1.8
124.01692	0.4
125.02507	0.9
125.09737	1.8
126.32643	0.4
127.11304	3.1
129.02061	0.6
129.09276	0.7
131.03506	0.8
139.11333	2.2
141.09244	0.4
143.03526	0.6
149.04593	0.7
155.10794	0.4
155.14444	0.7
161.04562	2.0
163.11374	0.5
165.12895	0.6
167.10828	0.5
167.14452	1.1
171.10284	9.3
171.11688	0.5
179.05638	0.4
183.13901	2.4
185.11874	0.9
191.05731	0.4
193.12358	1.3
195.13976	0.6
197.11844	0.6
199.13420	0.8
204.52242	0.4
209.11871	2.8
211.13408	19.4
212.13724	0.5
213.14989	0.8
229.14462	43.2
230.14879	1.2
249.22191	0.6
253.14333	0.6
291.20193	0.4
293.21271	6.2
294.21692	0.4
311.22327	5.4
312.22598	0.4
313.23868	4.2
320.03473	0.3
327.21689	0.4
329.23373	23.0
330.23486	0.8
371.28107	2.0
373.18704	2.1
391.14880	0.3
391.19766	5.0
401.25418	0.8
409.20145	0.3
433.20605	1.1
452.75711	0.4
462.51459	0.4
473.27612	11.6
474.27573	0.9
491.28625	15.9
492.28690	1.0
515.27997	0.4
533.29456	100.0
534.29840	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
57.03450	4.4
59.01385	52.7
61.98836	2.9
67.68841	1.4
71.01385	57.0
71.04987	1.2
72.01712	1.4
72.20616	1.3
72.99287	3.2
73.02959	16.6
77.80308	1.4
78.34212	1.3
81.15015	1.3
83.01389	9.5
85.02957	25.0
86.00070	1.1
87.00890	4.0
89.02456	30.3
93.03439	1.4
93.89557	1.4
95.01407	3.2
95.78549	1.5
97.02946	2.7
98.19803	3.3
99.00892	5.5
101.02452	44.2
111.00887	5.3
113.02457	21.8
119.03500	4.4
125.02460	4.9
131.03519	8.7
132.67615	1.3
134.36972	1.5
143.03487	2.9
149.04541	6.6
159.02980	3.5
161.04585	14.3
177.01944	2.8
191.05647	1.8
230.18436	1.7
233.06662	1.3
240.40182	1.3
285.98145	1.5
341.19699	16.6
371.27979	5.6
401.25504	10.5
473.23914	100.0
474.24307	5.9
526.11096	1.2
533.32770	33.7
534.33105	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	533.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11523	0.3
54.46004	0.3
55.01914	0.9
57.03454	2.0
58.00624	0.7
59.01386	22.3
61.98859	0.6
63.93405	0.3
69.03477	0.6
69.62131	1.7
71.01390	14.1
71.05054	0.8
72.99353	1.5
73.02953	4.5
78.95945	0.6
81.03517	0.5
83.01395	2.3
83.05086	0.6
85.02958	5.2
86.00150	0.4
87.00878	2.0
89.02454	6.1
89.28652	0.3
95.01445	0.9
96.96009	2.2
96.97005	0.8
97.03001	0.7
97.06615	0.8
99.00929	1.4
99.08156	2.2
101.02464	8.0
107.20444	0.4
111.00961	0.4
113.02460	4.1
119.03510	1.8
124.01692	0.4
125.02507	0.9
125.09737	1.8
126.32643	0.4
127.11304	3.1
129.02061	0.6
129.09276	0.7
131.03506	0.8
139.11333	2.2
141.09244	0.4
143.03526	0.6
149.04593	0.7
155.10794	0.4
155.14444	0.7
161.04562	2.0
163.11374	0.5
165.12895	0.6
167.10828	0.5
167.14452	1.1
171.10284	9.3
171.11688	0.5
179.05638	0.4
183.13901	2.4
185.11874	0.9
191.05731	0.4
193.12358	1.3
195.13976	0.6
197.11844	0.6
199.13420	0.8
204.52242	0.4
209.11871	2.8
211.13408	19.4
212.13724	0.5
213.14989	0.8
229.14462	43.2
230.14879	1.2
249.22191	0.6
253.14333	0.6
291.20193	0.4
293.21271	6.2
294.21692	0.4
311.22327	5.4
312.22598	0.4
313.23868	4.2
320.03473	0.3
327.21689	0.4
329.23373	23.0
330.23486	0.8
371.28107	2.0
373.18704	2.1
391.14880	0.3
391.19766	5.0
401.25418	0.8
409.20145	0.3
433.20605	1.1
452.75711	0.4
462.51459	0.4
473.27612	11.6
474.27573	0.9
491.28625	15.9
492.28690	1.0
515.27997	0.4
533.29456	100.0
534.29840	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	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03438	4.7
58.00615	2.4
59.01384	57.2
64.22987	1.6
66.59216	1.8
71.01385	58.8
72.99310	1.9
73.02953	19.7
83.01376	9.9
85.02958	21.5
87.00881	4.4
89.02452	34.0
95.01397	2.3
97.02969	1.8
98.20786	1.7
99.00893	6.3
99.33495	1.5
101.01801	3.3
101.02449	53.3
109.02898	2.1
111.00909	3.9
113.02443	17.4
115.12853	1.9
119.03514	3.4
125.02419	5.0
131.03523	11.2
135.04460	1.8
137.02477	1.9
143.03461	3.0
148.94890	1.5
149.04584	8.0
159.02942	2.9
161.04565	16.1
177.01952	6.8
191.05553	3.2
341.19724	18.9
371.27991	7.6
383.15170	1.7
401.25436	9.4
473.23904	100.0
474.24213	5.6
533.32611	31.9
534.33649	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	533.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
61.98832	0.7
71.01407	0.2
71.55943	0.3
75.46995	0.2
77.52212	0.2
83.05047	0.2
85.02945	0.3
89.67189	0.2
95.16423	0.2
97.06596	0.2
107.05038	0.3
121.02957	0.4
127.05235	0.2
132.02177	0.2
133.02971	9.0
134.03749	5.0
135.04538	26.2
136.04901	0.4
137.02452	4.2
139.04034	1.3
150.03197	0.5
161.02460	24.3
162.02737	0.4
163.07613	0.2
173.04514	0.3
178.02693	1.9
179.03511	14.5
180.03844	0.3
371.18646	100.0
372.19012	5.8
406.95886	0.2
473.32800	0.4
489.32651	0.3
533.22717	1.1
533.31201	2.3
542.88293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
57.03448	2.4
59.01386	37.0
61.98835	2.0
65.12348	1.2
65.33891	1.2
71.01388	28.0
72.99335	1.3
73.02959	6.7
78.91878	1.6
78.95898	4.4
80.91687	51.4
83.01400	2.1
85.02956	9.9
87.00867	4.2
89.02451	100.0
93.03449	5.9
96.96026	2.8
99.00884	3.6
101.02435	12.8
109.02940	3.2
111.35606	1.3
113.02439	11.2
119.03536	1.9
121.02972	9.2
128.01060	1.3
129.01962	1.5
133.05063	6.0
134.15628	1.2
135.04512	5.1
136.04872	1.6
137.02411	1.5
143.03513	1.7
149.04462	2.0
159.02972	2.4
161.02516	2.7
161.04567	36.3
164.26741	1.3
173.04514	5.9
179.03587	2.4
180.07938	53.4
181.08237	2.4
191.05629	8.2
195.10277	61.0
196.10638	2.3
229.67207	1.4
233.06609	4.9
237.80760	1.4
283.09790	2.5
307.13889	1.6
327.08734	1.8
357.15442	2.3
367.12531	1.8
434.79611	1.5
533.21722	1.6
533.29828	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	533.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
71.01375	1.2
71.01968	0.9
73.02947	0.6
77.67873	0.4
85.02958	9.2
87.00867	1.8
93.03470	2.7
99.04498	0.6
109.02964	0.8
111.04539	0.8
127.04042	2.1
129.01891	0.4
163.07506	0.7
171.03001	0.6
173.04555	0.6
191.05627	100.0
192.06000	1.4
243.09106	0.4
332.60257	0.4
345.37228	0.4
393.32697	0.4
425.71283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.7
55.62206	2.2
57.03457	12.4
59.01385	36.1
61.98825	8.5
62.47451	2.1
62.83858	2.2
67.01891	2.5
69.03463	4.1
69.32697	18.8
71.01389	77.8
73.02950	29.4
75.00871	2.3
81.03457	5.3
83.01390	8.2
83.05034	7.8
83.68878	2.1
85.02959	46.6
87.00877	4.9
89.02451	11.7
93.03471	7.0
93.07119	5.6
95.01392	13.3
95.05035	6.7
95.13976	2.2
97.02954	8.1
97.06569	3.2
99.00889	10.0
99.04516	5.7
101.02447	42.5
105.07152	2.6
107.05046	6.5
108.02185	78.6
109.02966	100.0
109.06588	7.3
111.04548	18.1
113.02454	35.5
119.03494	3.4
119.04991	2.7
119.08647	3.0
121.06601	11.6
122.03730	20.6
123.00869	6.3
123.04495	12.6
125.02438	2.5
133.02962	2.6
135.04521	3.0
135.08171	3.6
136.05370	11.2
137.06116	11.7
137.09702	4.3
139.07657	16.3
141.09235	3.5
143.03467	5.4
145.06610	6.1
145.10216	5.4
147.08160	5.3
149.06123	8.2
149.09633	3.4
151.04007	6.4
153.09232	4.0
159.03012	7.5
161.02545	3.3
161.04568	81.9
161.09740	3.9
163.07692	5.8
163.11334	4.7
169.10164	4.3
171.08191	8.5
173.04575	3.5
173.06017	3.2
175.11293	2.8
177.09251	4.1
177.12822	3.0
180.07713	2.1
185.09752	5.8
187.07632	3.2
187.11296	82.4
188.08440	8.3
188.11630	3.2
189.05580	23.2
189.09186	17.0
190.09918	6.6
191.05632	6.8
199.11270	3.2
203.10814	6.7
205.03531	3.6
205.12347	64.3
213.09207	9.0
214.12096	2.4
216.07965	9.3
217.12328	11.4
217.32704	2.3
219.10310	4.5
231.07956	5.1
231.10271	91.0
232.10562	3.6
235.13443	11.5
243.10275	8.4
249.11345	37.9
255.75461	2.6
261.11325	53.3
271.08228	24.0
279.12418	58.8
283.28760	2.2
294.08963	2.4
298.20425	2.6
359.20602	5.1
359.24585	4.4
371.11060	3.2
393.15558	6.7
423.16498	3.5
485.18164	8.6
503.19424	14.4
533.20435	17.5
533.29333	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03505	0.2
59.01381	1.1
61.60432	0.2
67.01896	0.3
69.80326	0.4
69.80736	0.7
70.61209	0.2
71.01380	0.7
74.91782	0.2
83.05031	0.3
85.02955	8.7
87.00895	1.5
91.80463	0.2
93.03468	2.6
99.04545	0.3
109.02966	0.7
111.04520	0.9
122.88236	0.2
127.04035	2.1
153.02022	0.2
171.02989	0.7
173.04544	0.9
191.05624	100.0
192.05988	1.7
236.86176	0.2
245.27184	0.2
295.24216	0.2
391.56543	0.2
485.54654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20859	1.5
53.56121	1.3
55.58401	1.2
59.01109	1.8
59.01379	17.3
59.74282	1.4
62.96655	1.6
71.01385	4.9
71.29928	3.0
83.01401	10.4
85.02964	10.2
86.35477	1.7
87.00883	3.4
87.88475	1.3
89.02449	4.7
93.03461	3.4
99.00875	3.0
101.02464	3.7
108.02160	7.1
109.02969	1.8
123.04535	6.2
124.01627	2.0
127.00351	2.1
131.05006	3.8
134.03757	5.4
135.04562	5.2
146.03719	1.8
147.04507	4.0
148.05315	97.0
149.06088	3.2
159.04637	1.8
160.05334	2.9
161.02478	4.6
161.06096	5.5
162.03242	6.1
163.04036	3.3
163.07652	92.7
164.04764	3.6
164.07965	2.5
172.05322	6.9
173.06055	2.1
175.04041	7.4
176.04802	2.9
177.05582	13.5
178.06367	7.5
179.07021	3.2
184.05380	1.5
187.07689	3.1
189.05557	7.9
190.04730	3.1
190.06366	41.9
191.05620	100.0
192.04324	5.1
192.05927	1.7
193.08682	6.0
195.06616	2.6
202.06308	3.8
204.04289	5.1
205.08698	36.3
207.06639	22.6
209.01242	1.6
214.50912	1.4
216.04344	1.8
217.08710	6.1
219.06657	14.7
231.06615	4.7
235.06093	5.7
237.07698	8.9
249.07721	2.7
251.05621	18.9
265.10794	6.2
279.08780	2.0
291.08630	3.5
293.06586	4.8
309.09952	7.1
327.10831	37.4
353.08810	15.1
385.42462	1.7
413.05273	2.9
413.10858	42.6
414.11395	2.6
457.14786	1.4
490.11508	1.5
510.61072	1.6
533.15143	67.5
534.15228	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	531.3691
Annotation	Rubianol d
Peak:m/z	Relative Intensity
59.01386	100.0
61.98843	1.7
78.95903	0.7
89.78875	0.4
96.96022	3.3
98.19968	1.9
98.20673	1.1
149.64461	0.4
152.99648	0.7
210.43906	0.5
427.36188	0.8
471.35117	0.9
531.30219	0.5
531.37537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
61.98837	100.0
64.95305	1.1
71.56696	1.3
75.72359	0.8
78.95941	1.5
101.61942	1.2
101.97682	0.9
120.08180	1.0
147.78294	0.9
294.42953	0.9
335.52603	0.9
482.49384	1.2
532.32648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60331	0.6
55.74817	0.7
56.40491	0.6
59.01381	9.6
62.93697	0.6
71.01385	5.0
71.54807	1.1
72.99306	1.1
73.02969	1.1
75.00874	2.6
85.02952	2.1
87.00883	2.5
89.02461	3.3
93.03459	9.3
96.96035	3.6
99.92603	1.4
101.02441	2.3
105.01933	5.4
107.05046	0.8
109.02955	3.7
111.04533	3.1
113.02468	1.6
116.92870	13.6
117.01931	0.8
119.03553	0.8
121.14298	0.7
131.03479	1.1
133.02986	2.1
134.03773	2.6
135.04533	100.0
136.04877	2.4
137.02437	6.6
146.03769	0.7
149.04591	1.2
155.03532	5.9
161.02451	8.7
165.05582	0.8
165.09215	1.9
173.04556	39.8
177.01909	0.8
179.03516	12.8
191.05624	17.4
221.11768	1.2
224.17265	0.6
268.07233	0.9
269.85794	0.6
274.52548	0.8
283.09793	1.4
283.32697	0.7
327.08731	1.1
335.07721	4.6
353.08817	12.4
371.09814	42.3
372.10092	1.9
385.18909	1.1
419.59140	0.8
515.11938	1.9
533.12518	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	531.2812
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01883	3.4
57.03451	3.8
58.00593	2.8
58.86269	0.3
59.01383	54.1
61.98830	0.7
66.03947	0.3
67.01897	0.5
68.99801	0.4
69.03469	2.4
71.01387	80.8
72.01699	0.7
72.99317	3.9
73.02950	20.1
75.00877	1.2
78.95869	0.3
81.03471	1.5
83.01391	9.3
83.05018	0.4
84.02166	0.5
85.02956	26.2
86.00133	0.5
87.00883	5.1
89.02452	54.3
90.02789	0.5
93.03476	0.6
95.01393	3.8
97.02950	4.1
99.00887	9.8
99.04508	0.4
101.02449	53.1
102.02776	0.3
104.03562	0.3
109.02931	0.4
111.00889	8.1
111.04547	0.4
113.02459	21.9
115.04013	3.0
119.03506	4.2
125.02460	9.5
127.04008	0.7
129.01929	1.4
131.03513	22.1
137.02464	0.4
139.04016	0.4
139.07617	0.5
141.01935	0.5
143.03500	4.9
145.46886	0.3
149.04568	24.0
155.03476	0.6
159.02995	3.1
161.04570	17.7
173.04550	1.2
191.05611	7.3
203.05658	0.9
205.03610	0.4
207.37885	0.4
215.05600	1.4
217.15955	0.8
221.15421	0.6
224.58871	0.3
233.06662	10.7
234.07033	0.5
235.17073	1.2
237.18643	4.2
249.18335	0.3
251.07582	0.3
275.07654	0.4
293.08807	11.1
381.22644	1.3
399.23889	33.0
400.24255	1.8
531.28070	100.0
532.28448	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	531.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.8
57.03450	4.4
58.00593	2.9
59.01385	66.7
61.98824	0.7
67.01920	0.5
69.03459	3.2
71.01389	85.4
72.01730	0.7
72.99318	5.6
73.02955	18.8
75.00877	2.0
78.95891	0.5
81.03469	1.7
83.01398	10.5
83.05016	0.5
84.02161	0.4
85.02961	27.9
86.00116	0.8
87.00887	6.7
87.04543	0.6
89.02454	68.5
90.02777	0.5
93.03467	1.0
95.01407	3.1
96.96088	0.4
97.02960	4.8
98.19837	0.6
99.00894	7.4
100.01661	0.4
101.02454	63.9
102.02801	0.6
104.23123	0.3
105.24141	0.3
109.02992	0.8
111.00896	13.6
111.01670	0.7
111.04518	0.6
113.02460	23.3
114.02768	0.5
115.04027	3.3
119.03521	5.2
125.02462	9.6
127.04029	0.9
128.01176	0.5
129.01971	1.7
131.03514	32.3
138.74910	0.4
139.03989	0.8
143.03500	6.4
149.04567	36.5
155.03548	0.4
159.03008	2.6
161.03261	0.7
161.04573	12.5
173.04564	2.2
179.05626	0.5
187.06212	0.6
191.05624	11.0
192.05940	0.4
202.60805	0.5
203.05635	1.1
205.03479	0.5
215.05577	1.9
229.18784	0.5
233.06667	14.8
235.16901	0.6
237.18616	2.3
249.18652	0.4
251.07590	0.7
293.08829	6.7
308.61118	0.4
311.09897	0.7
381.22818	2.4
399.23907	37.6
400.24222	2.3
418.93314	0.4
470.22952	0.4
531.28082	100.0
532.28339	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	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80971	0.9
55.01877	2.0
55.94738	0.9
56.48730	1.0
57.03444	2.8
58.00592	1.3
59.01383	48.1
61.98831	4.7
67.01893	2.3
69.03481	1.5
71.01388	40.9
71.34036	1.5
72.99308	3.0
73.02561	1.2
73.02951	19.9
78.95895	1.5
81.03456	1.4
83.01385	6.2
83.05026	2.0
85.02973	13.2
87.00903	5.6
89.02450	29.1
93.03472	15.5
95.01391	3.1
96.96013	5.2
96.96967	1.9
97.02956	8.8
99.00884	2.4
99.04540	3.5
101.02450	47.7
105.03452	6.9
109.02914	1.7
111.04542	4.6
112.36240	1.0
113.02472	15.2
115.04018	2.8
119.03510	11.3
121.02966	100.0
123.04523	1.1
125.02442	3.6
127.04020	1.8
131.03516	3.7
133.02969	36.5
134.03728	2.0
135.04532	8.0
137.02454	3.4
137.09705	4.1
141.09236	2.1
143.03500	8.9
149.04514	2.2
155.03494	2.3
160.01707	1.8
161.02531	5.4
161.04564	31.2
173.04546	23.1
177.01936	32.6
178.02719	3.3
179.03497	3.6
179.05603	19.9
179.07195	2.4
189.03516	1.0
191.05620	41.5
215.05620	2.1
221.06662	4.4
263.07639	4.9
263.15082	1.2
282.77542	1.1
313.10529	1.2
328.53094	1.1
339.08664	7.9
346.68903	1.0
351.07172	7.5
357.09766	6.0
369.09738	1.7
399.23776	1.2
495.31711	1.9
531.15546	6.8
531.28046	12.7
532.28796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
57.03460	1.5
58.00601	2.9
59.01386	83.1
59.49379	1.1
60.98280	1.2
61.78890	1.4
61.98836	2.3
64.37695	1.2
65.88767	1.0
69.03465	4.0
71.01389	79.1
71.56948	1.4
71.57337	1.1
72.99325	4.0
73.02958	37.0
81.03474	3.1
83.01392	15.8
83.83564	1.3
85.02955	19.1
87.00876	7.6
87.04536	1.5
89.02457	71.7
93.03487	2.2
95.01392	7.1
96.96014	5.4
96.96960	2.2
97.02959	23.0
97.06586	1.2
99.00903	4.2
99.04543	2.9
101.02453	100.0
113.02465	32.9
115.04028	6.3
119.03518	29.9
125.02435	5.2
131.03519	6.3
133.02960	3.7
135.04538	2.7
137.02464	1.4
137.09737	6.6
142.69829	1.1
143.03516	20.6
147.87091	1.2
149.04625	3.2
161.02423	5.6
161.04572	79.9
162.04918	2.1
173.04567	4.3
177.01938	8.9
179.03473	2.1
179.03798	2.4
179.05623	50.8
191.05602	8.0
221.06699	15.6
240.35794	1.5
263.07751	15.8
339.05026	1.5
353.08911	1.3
391.85736	1.5
495.31775	4.4
531.11652	2.1
531.29510	11.3
532.29907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
55.59727	0.9
56.60342	0.8
56.92172	0.9
57.03453	4.5
57.03683	0.9
58.00604	0.9
59.01384	55.2
61.98827	1.8
63.60555	0.8
69.03476	1.0
71.01012	1.8
71.01385	25.3
71.56194	1.2
72.99303	2.3
73.02950	7.5
74.44949	1.0
78.95899	5.4
83.01395	8.0
83.29160	0.8
85.02956	22.1
87.00889	2.2
89.02446	5.3
93.03456	6.2
95.01392	2.3
96.96020	28.7
96.96963	8.6
98.95621	1.7
99.00871	3.0
101.02454	19.6
106.04245	2.1
109.02955	2.7
111.04538	1.5
112.01638	3.3
113.02467	14.3
119.05049	1.1
121.03015	1.1
121.06604	1.4
123.04501	1.6
124.39823	0.9
127.04084	0.9
133.02980	1.6
135.04507	4.1
137.02443	3.3
145.02930	1.4
147.04526	1.8
147.08235	1.4
150.03262	1.5
151.04022	1.3
155.03522	1.6
159.04497	1.5
161.04533	4.4
165.05557	3.9
165.09216	73.0
166.09520	2.5
173.04532	2.8
177.01941	1.5
179.03592	1.4
186.55789	0.9
191.05605	16.1
207.05072	1.3
207.10236	1.0
221.51364	0.9
225.07790	1.1
229.01405	2.4
246.13708	0.9
249.11211	2.1
267.06616	1.5
269.08078	2.5
281.06516	1.6
295.06055	2.9
309.13440	83.0
310.13754	3.7
327.14508	100.0
328.14865	4.1
331.08334	1.2
339.05060	12.3
369.15549	42.6
370.15936	1.5
495.14920	2.8
531.20331	1.7
548.01300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17159	1.3
55.01870	3.4
57.03451	10.6
58.00584	3.3
59.01382	98.0
60.01697	2.1
61.98834	11.6
67.01865	2.6
69.03453	3.5
71.01391	80.8
71.05003	3.6
71.55327	2.6
72.01704	2.3
72.51991	1.7
72.99292	5.7
73.02955	29.5
75.00856	3.4
75.08903	1.3
75.39915	1.4
78.95867	1.8
82.06618	1.4
83.01402	9.9
83.05009	2.6
85.02963	26.5
86.00086	1.5
86.11209	1.4
87.00890	13.0
87.04509	3.0
89.02452	55.9
93.03473	12.3
94.03798	4.2
95.01369	4.0
96.96022	51.4
96.96926	2.5
97.02932	3.5
97.06557	3.1
98.95560	37.2
98.96383	5.9
99.00904	8.7
99.01424	2.0
99.04533	11.1
99.92594	78.6
100.92569	2.2
100.93323	4.6
101.02453	56.2
102.02763	2.6
111.00822	5.5
111.04489	3.7
111.08102	2.4
113.02467	21.5
115.04016	13.7
115.92089	70.8
116.92872	100.0
117.92891	2.7
119.03551	7.8
123.08149	2.0
125.02458	8.3
126.94915	4.1
127.04011	1.8
131.03508	24.6
133.03011	3.0
133.90338	1.5
134.03642	4.4
135.04562	11.0
136.04797	6.0
137.02388	3.4
137.09711	1.8
139.07642	1.7
141.09212	2.5
141.93616	8.1
143.03450	4.4
145.02971	2.1
149.04568	36.3
149.05779	1.7
155.03432	2.2
156.03722	1.7
159.02939	2.7
161.02376	3.5
161.04582	15.1
161.05786	3.3
169.93164	1.7
170.93806	3.2
173.04559	30.5
174.03760	1.2
174.04897	12.1
175.04930	6.8
175.06271	1.4
176.96765	1.6
177.05649	1.7
179.03529	8.0
179.05597	2.1
180.03738	5.4
181.04007	3.2
182.97572	1.8
184.95366	2.4
191.05611	27.6
192.04359	1.7
192.05957	5.3
193.06023	1.7
208.03577	2.2
221.15332	1.6
226.96468	1.6
233.06636	3.4
242.95917	2.0
244.97464	3.4
248.95247	1.7
291.06760	2.5
291.19589	2.0
293.04639	2.2
293.08508	1.8
305.04721	2.1
306.05371	2.8
307.06281	4.7
309.20679	25.9
333.04318	1.9
335.06000	17.2
351.05527	8.3
351.21524	1.5
353.08591	4.5
354.08923	5.5
355.09467	9.8
361.07419	2.5
367.10046	1.9
368.10913	3.4
369.10687	5.6
393.73969	1.6
399.23831	17.8
453.53897	1.8
455.24130	2.5
455.74524	1.8
471.25226	2.2
483.09491	15.3
487.32397	3.6
489.27127	1.5
495.09494	10.5
495.32040	3.8
513.10809	7.9
513.29211	2.1
530.26135	3.2
530.34161	3.6
531.11798	47.1
531.27802	98.5
532.11749	5.3
532.28613	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	531.1149
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
56.28464	0.5
57.03451	0.9
58.00597	1.8
58.02236	0.4
59.01382	25.4
61.98830	1.6
66.42999	0.5
67.01887	1.1
69.03488	0.6
69.27715	4.7
71.01385	15.8
72.99313	2.4
73.02943	0.8
74.02448	0.5
78.95898	2.0
81.03475	1.2
85.02956	10.6
87.00885	4.4
89.02449	18.3
93.03461	5.9
95.01370	0.9
96.96030	3.8
96.96973	1.7
99.00887	1.5
99.04547	1.2
101.02449	8.2
108.02160	0.8
109.02962	16.7
111.04526	1.5
113.02435	5.7
115.00372	1.2
117.03452	1.2
119.03520	7.2
119.04947	0.6
121.02954	1.7
123.04494	0.7
125.02455	0.7
127.04015	2.1
129.03494	1.2
131.03485	1.1
131.04971	0.6
133.02956	1.7
134.03813	0.6
135.04527	2.8
137.02458	1.9
143.03513	1.8
145.02975	6.4
146.03719	1.6
147.04536	10.9
149.04549	2.0
151.03993	1.4
155.03560	0.7
157.02992	5.0
158.03708	1.5
159.04524	10.5
161.02463	1.5
161.04552	2.0
161.05901	0.5
163.03925	0.8
173.02466	2.5
173.04591	4.7
174.03156	1.0
175.02632	1.0
175.03964	2.6
177.01964	1.4
179.03752	2.4
179.05629	7.9
185.02458	3.3
187.04059	0.6
191.05634	58.5
192.05965	1.6
193.06567	0.8
196.05304	0.6
197.06114	0.9
201.01794	0.9
201.07916	0.6
203.03481	1.2
204.82639	0.5
207.05060	2.6
209.08167	1.6
211.07625	1.6
221.06114	2.2
223.07687	0.8
225.05557	1.6
229.01443	33.4
230.01888	1.6
232.05307	0.7
233.15518	1.0
237.05521	1.2
238.06441	1.0
239.07196	3.3
248.04814	1.9
249.05585	6.7
250.06284	2.7
251.07118	1.1
252.04166	0.6
253.04988	0.9
255.13933	2.2
265.05130	1.1
266.05676	2.8
267.06641	18.6
269.08237	6.3
276.04337	1.1
277.05051	12.8
278.05743	2.2
280.03851	0.9
293.04669	4.2
294.05405	3.3
295.06119	26.0
296.06506	1.2
313.07202	3.2
333.17142	0.8
339.05099	100.0
340.05518	4.3
340.09326	0.8
357.06009	1.0
357.09988	1.0
369.08374	1.8
413.21973	0.9
429.21365	0.9
441.21524	1.4
453.20825	0.6
471.22937	0.5
487.12460	1.8
513.23657	1.1
531.11365	15.2
531.24493	3.5
531.31702	1.1
532.11713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.8
61.98831	1.4
63.59254	0.4
70.16348	1.8
87.00888	0.7
97.06590	2.7
99.00838	0.5
110.33668	0.5
121.95005	0.5
191.07397	0.5
221.69446	0.5
226.98250	0.6
264.80988	0.6
389.28476	0.7
391.30151	3.3
405.31592	2.9
407.33209	7.0
423.28992	0.6
441.33698	1.8
451.32251	7.0
453.33765	32.0
454.34009	2.4
471.34796	12.9
472.35211	1.0
511.34274	0.7
529.30591	100.0
530.30957	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	529.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01719	0.9
61.98820	0.6
72.99352	0.8
98.19909	1.8
101.07163	0.6
151.14108	0.6
167.90678	0.6
180.24432	0.5
340.61966	0.5
441.34039	2.4
529.30487	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	529.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06994	1.6
59.01384	100.0
61.98851	4.2
65.50194	1.6
66.55029	2.2
71.53864	1.6
72.99332	1.8
78.82062	1.7
87.00892	3.6
111.08209	2.4
123.08128	1.8
147.19171	1.8
413.34171	2.2
457.33368	3.8
469.33368	11.1
471.34406	2.5
487.34396	6.0
529.36115	19.1
530.35480	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10276	0.4
59.01385	100.0
60.01719	0.7
61.98850	1.3
70.60081	0.5
70.96996	0.8
70.97326	0.6
80.54185	0.5
85.53973	0.5
87.00880	0.7
97.06587	0.6
100.10854	0.6
201.37056	0.5
391.29974	0.8
405.31625	0.8
407.32837	0.8
451.31989	2.0
453.33694	8.8
454.34293	0.5
469.33826	0.7
471.34857	4.0
529.30457	27.5
530.31097	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	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44809	0.3
59.01382	3.7
61.98833	2.1
67.75207	0.3
78.95911	19.8
96.96944	0.4
152.99568	2.7
168.04356	2.8
191.05640	0.7
224.06927	8.2
242.07932	1.3
255.23308	100.0
256.23648	3.9
277.21756	0.3
354.27597	0.3
421.71976	0.4
480.30975	62.8
481.31451	4.0
529.75745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21041	0.8
52.08870	0.6
61.98836	100.0
70.96680	0.9
70.97032	1.6
86.70788	0.7
99.04532	1.0
143.03551	1.4
167.50967	0.7
194.71230	0.7
194.77977	0.7
242.10411	0.7
263.84814	0.6
318.27414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.41938	13.8
71.09161	1.9
86.05303	2.0
99.04517	3.8
116.13141	2.0
125.02464	6.0
143.03429	2.4
177.00568	2.4
341.30566	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	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19578	0.3
57.03444	0.4
58.00622	0.4
59.01383	8.1
61.98835	0.9
69.03443	0.6
71.01388	6.1
72.99300	0.4
73.02964	0.8
73.27287	0.3
78.95900	0.5
83.01392	0.7
85.02958	1.4
87.00895	0.6
87.84666	0.4
89.02457	5.8
93.03452	0.4
95.01398	0.7
101.02451	5.9
111.08132	0.5
112.02377	0.4
113.02451	3.0
118.19843	0.3
119.03529	1.7
132.36809	0.3
143.03523	0.7
149.13321	0.3
161.04567	3.2
167.10701	0.4
173.04510	0.5
177.12773	0.7
179.05618	1.3
179.10658	0.4
179.14444	0.8
191.05647	0.4
195.13916	9.3
196.14539	0.6
205.12279	0.9
205.16040	0.4
211.13370	0.5
223.13405	5.8
228.13649	0.6
231.21263	0.6
253.09302	31.6
254.09540	0.8
256.13123	1.4
265.21472	0.4
275.20197	5.4
279.83743	0.3
293.21246	100.0
294.21576	4.7
355.15710	0.5
469.28946	0.4
492.22180	0.6
529.32178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43847	0.5
59.01385	7.0
61.98810	1.4
69.43819	0.9
69.44218	3.9
91.48754	0.5
95.01893	0.6
95.06799	0.5
139.11073	0.6
246.99397	0.6
340.19827	0.7
469.33936	0.7
471.34836	60.6
472.35217	6.0
516.84387	0.6
529.30652	100.0
530.30988	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	529.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48967	0.4
52.66891	0.4
55.01883	2.4
57.03450	3.2
58.00605	0.9
59.01384	25.9
61.98830	1.7
69.03456	2.9
71.01388	58.1
71.05004	0.6
72.01718	0.6
72.99321	2.4
73.02953	22.0
75.00494	0.5
75.00870	2.6
81.03468	1.0
83.01392	6.9
85.02957	21.9
86.00095	0.8
87.00871	4.7
89.02453	21.0
93.03458	0.9
95.01395	3.6
97.02939	3.7
98.20654	1.5
99.00882	12.4
99.04517	1.7
101.02452	41.1
111.00899	1.9
113.02460	18.2
115.04044	2.9
119.03500	1.7
125.02454	7.0
125.09735	1.3
125.96986	0.5
127.04062	0.5
129.01927	1.3
131.03508	7.7
143.03493	2.9
149.04559	8.4
151.07652	1.3
159.03017	3.2
161.04559	25.5
169.08691	1.0
173.04581	1.3
175.11275	0.5
181.29948	0.5
191.05608	4.8
191.14404	1.1
205.03586	0.6
215.05582	0.6
217.16005	3.5
229.28015	0.5
233.06639	6.4
235.17020	2.6
274.62436	0.5
293.08707	4.5
307.19315	0.6
397.22308	21.3
454.32614	0.6
485.34543	1.0
529.26508	100.0
530.26862	7.7
533.26019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1563
Annotation	Pikuroside
Peak:m/z	Relative Intensity
50.47785	0.6
53.28694	0.5
57.03449	0.7
59.01392	3.8
60.99306	1.8
61.98811	0.7
67.01896	9.8
69.03459	2.7
69.98514	3.3
71.01374	4.0
73.02942	0.9
78.95925	1.2
81.03486	1.3
83.05025	1.7
85.02943	6.3
87.00886	11.2
89.02444	1.0
93.03466	59.7
96.96030	5.8
96.96966	1.6
99.00875	1.2
99.04509	1.1
101.02457	1.6
109.02981	1.4
111.04527	8.7
113.02441	1.4
115.03985	0.7
124.01683	0.8
125.02409	0.7
127.03995	1.4
128.03542	0.8
129.01981	0.9
134.03764	17.8
135.04509	1.8
137.02483	2.9
139.04034	2.1
149.06091	4.5
155.03551	2.6
160.01613	0.8
173.04558	20.0
173.73010	0.6
175.04008	1.2
176.01170	0.7
178.02718	8.6
179.03494	1.1
191.05621	100.0
192.05943	1.7
193.05067	20.1
194.05400	0.8
214.05305	0.6
223.06036	0.9
267.06665	1.3
311.05453	1.0
331.08234	2.7
337.03625	1.1
337.18918	0.9
367.10342	22.7
368.10693	1.2
407.01062	0.6
409.11493	3.4
469.22717	2.6
529.15637	73.4
530.15991	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	529.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.5
58.23176	0.8
59.01379	5.1
60.99310	4.5
61.98829	1.5
67.01626	0.7
67.01895	8.8
69.03465	3.1
69.36897	6.2
71.01401	6.3
73.02945	1.3
78.95900	4.1
81.03452	2.4
83.01364	1.0
83.05036	1.5
85.02952	3.0
87.00877	18.7
89.02444	2.9
93.03465	76.5
94.03825	0.8
96.96015	10.0
96.96970	4.0
99.00877	2.1
99.04522	2.1
101.02444	2.6
109.02923	1.2
111.03342	1.1
111.04527	10.6
113.02470	2.0
125.02445	1.5
126.90425	1.5
129.01941	3.1
134.03748	70.7
135.04494	1.3
137.02431	1.1
149.02467	2.1
149.04614	0.8
149.06021	1.8
152.01071	1.2
155.03491	2.5
164.04770	2.3
167.03487	1.0
173.04559	36.3
174.04819	2.0
178.02690	1.6
179.03543	1.4
191.05626	8.3
193.05058	50.8
194.05342	1.0
205.29755	0.9
208.03760	2.7
223.06125	7.8
243.07547	0.8
244.08075	1.1
245.09195	2.0
246.09557	2.3
267.06458	1.2
293.04465	1.0
297.08899	1.5
298.09094	1.5
311.05652	1.9
337.03519	1.7
355.10419	7.2
367.10306	28.3
368.10461	1.1
403.15207	1.3
453.18500	4.6
469.22754	2.0
490.60471	1.2
497.17386	2.6
529.15601	100.0
530.15894	6.0
533.63123	0.8
546.26520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01377	2.8
60.99301	4.3
65.03999	0.7
67.01894	15.1
69.03464	4.4
69.67305	1.0
69.67707	2.7
71.01393	4.8
71.11903	0.6
77.14166	0.6
78.95942	1.0
81.03461	2.8
81.87572	0.7
83.05032	2.4
85.02941	1.2
87.00883	19.1
91.14579	0.6
93.03467	100.0
94.03809	1.3
96.96029	13.9
96.96979	2.8
99.00879	1.8
99.04540	1.6
101.02447	0.7
109.02961	1.3
111.04536	15.2
113.02460	1.6
113.90070	0.7
115.03999	1.6
123.04526	0.9
129.01952	1.2
134.03757	15.6
137.02470	4.5
139.04037	1.1
143.03520	1.5
147.04520	0.7
149.06094	5.9
153.05612	1.7
155.03493	3.6
158.49863	0.6
173.04558	69.8
174.04852	1.5
177.01807	0.7
178.02744	4.7
191.05617	18.9
193.05058	15.2
281.45013	0.7
331.08322	0.8
337.09079	1.1
355.10364	1.0
367.10327	5.2
469.13293	3.2
529.15643	62.1
530.16077	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	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90445	0.6
59.01376	0.8
61.12934	0.5
67.01892	0.9
71.01389	1.6
71.25361	1.1
78.95916	4.1
85.02938	0.9
87.00888	0.9
93.03464	5.7
96.96024	8.9
96.96968	7.6
105.94043	0.5
109.02911	1.2
111.00870	0.6
111.04515	2.1
132.66888	0.5
133.02966	0.7
134.03758	46.6
135.04153	0.7
137.02466	3.3
137.10767	0.6
139.04005	0.8
149.06100	17.8
153.01979	1.2
153.05470	0.7
155.03494	2.6
173.04570	7.5
177.01909	1.4
177.17101	0.6
178.02733	17.2
191.05640	3.5
193.05069	100.0
194.05417	2.7
199.75163	0.6
355.10394	9.7
420.24124	0.6
529.15869	9.8
530.16211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33081	0.4
57.03450	1.1
59.01369	1.9
60.50245	0.4
61.98830	0.6
67.01900	4.7
68.06715	0.5
69.03424	0.8
69.45036	1.1
69.45457	2.2
71.01389	4.2
78.95905	1.2
81.03451	1.2
83.05006	0.7
85.02949	1.4
85.15266	0.5
85.90597	0.5
87.00880	1.8
93.03465	27.8
94.03845	0.5
96.96016	19.8
96.96986	1.3
101.02425	0.6
109.02943	0.8
111.00862	0.8
111.04534	3.9
113.02428	0.5
127.04012	1.0
134.03751	17.9
137.02448	6.3
139.04018	1.5
149.06107	4.4
155.03528	3.8
173.04553	100.0
174.04895	1.8
177.01933	2.1
178.02742	5.7
191.05591	4.4
193.05061	23.3
215.52864	0.5
331.08160	2.0
355.10504	3.2
367.10229	0.7
431.12350	0.6
529.15808	5.1
530.15918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	30.2
59.01389	5.5
61.98798	0.8
69.87086	0.6
71.01381	2.8
73.02926	1.2
78.95911	2.5
81.03456	0.9
83.01347	0.7
83.15923	0.7
85.02938	1.8
87.00875	2.2
89.02481	1.1
93.03439	3.2
96.96021	1.8
96.96965	1.9
98.92326	0.7
99.03915	1.5
99.04522	15.1
101.02448	9.9
105.07884	0.7
109.02931	1.0
111.04576	1.0
121.02950	2.9
125.02465	9.4
134.03734	0.8
135.04556	3.9
137.02328	0.9
139.04015	1.4
143.03455	1.4
143.07146	3.7
149.02440	17.1
151.03944	1.2
152.01154	5.0
163.04031	5.1
164.04805	19.6
165.01918	1.3
167.03503	0.9
169.05048	1.9
172.33611	0.7
173.04539	2.4
175.03966	0.8
177.01904	0.7
179.05640	0.9
179.07115	11.0
191.05640	12.7
193.01421	13.4
203.05562	0.9
208.03769	32.7
209.04398	1.0
221.06087	1.5
223.06119	100.0
224.06381	2.3
239.07188	1.1
241.05066	2.0
245.09236	2.2
246.09631	1.2
247.04079	1.3
248.04948	0.9
249.05612	4.4
265.04831	5.1
265.07297	2.4
267.06613	11.2
293.04590	4.5
298.09390	1.6
305.08755	2.5
309.04150	0.9
311.05569	10.5
319.02454	3.8
331.08231	2.9
337.03452	2.9
385.11389	5.7
427.12500	3.8
453.18707	4.2
485.10962	1.6
497.17245	1.6
529.08105	1.1
529.15704	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	529.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03456	2.7
58.00594	0.5
59.01386	10.5
60.99306	0.4
61.98838	1.9
62.86514	0.3
67.01571	0.3
67.01900	4.0
69.03465	1.3
69.28806	1.5
69.29227	0.6
71.01386	10.4
71.05022	1.0
72.99305	0.5
73.02953	3.2
75.00857	0.3
78.95919	0.2
81.03465	0.9
83.01402	1.3
83.05061	1.3
85.02959	3.4
86.00109	0.5
87.00896	1.3
89.02457	5.1
89.02973	0.2
89.03965	0.3
93.03467	21.9
94.03804	0.5
95.01391	0.7
96.96021	10.2
97.06596	0.3
99.00888	1.1
99.04519	1.7
101.02459	4.7
109.02965	1.0
111.00917	1.4
111.04533	3.9
111.08163	1.3
112.18647	0.2
113.02466	2.5
115.04028	0.7
117.03474	1.4
119.03503	0.8
123.00863	0.3
125.02443	2.5
127.04012	0.6
131.03500	2.6
133.02960	0.7
134.03751	17.8
135.04488	1.0
137.02467	4.5
143.03496	0.4
149.04587	2.4
149.06020	1.2
149.09760	0.2
153.09274	0.5
155.03500	4.3
157.08704	0.5
161.02463	1.9
161.04521	1.2
173.04558	100.0
174.04897	1.9
178.02673	0.3
179.03494	1.1
191.05623	3.5
193.05060	16.5
194.05362	0.3
217.10718	0.3
233.06595	0.3
257.70285	0.3
293.08859	0.3
307.18976	0.5
314.56693	0.3
335.07770	0.3
352.39304	0.3
353.06796	0.3
367.10345	39.5
368.10580	1.6
385.18500	0.5
397.22366	1.3
431.19357	0.5
456.23553	0.8
456.73929	0.5
463.24655	0.5
469.14240	0.3
478.73129	0.4
511.29086	0.3
529.13409	0.8
529.26593	9.9
529.33588	2.4
529.76520	0.4
530.26740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27689	0.4
50.45171	0.4
53.19371	0.4
59.01381	0.9
60.99340	0.5
67.01900	0.8
69.34116	3.9
71.01369	0.7
77.38022	0.5
78.95911	38.6
79.95742	2.2
85.02950	0.5
85.13221	0.5
87.00871	1.5
89.02433	0.6
93.03467	7.2
96.96014	100.0
96.96966	79.7
98.02538	0.7
98.20667	0.9
110.33456	0.5
111.04513	1.2
134.03734	1.4
137.02374	1.2
153.05579	0.7
167.03455	0.9
173.04564	4.1
178.02852	0.7
191.05695	3.1
193.05055	1.8
210.99301	0.5
274.38657	0.5
322.54871	0.5
323.79095	0.5
367.10056	0.5
405.96222	0.5
406.31534	0.6
469.13132	1.2
529.15741	5.2
530.16058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43655	0.7
55.01867	1.6
57.03450	12.2
59.01385	28.5
61.98832	9.2
67.01915	0.8
69.03445	0.9
71.01386	20.9
71.05024	1.2
72.99296	1.0
73.02955	8.1
73.11536	0.6
73.83333	0.6
75.00894	0.7
78.95904	3.6
79.95723	1.5
79.96502	0.6
81.03455	1.4
83.01396	1.6
83.05036	1.9
85.02962	6.4
86.00070	0.7
87.00887	2.0
89.02456	20.5
93.03452	9.0
95.01391	1.6
96.96019	56.2
96.96913	3.6
97.02962	2.0
97.06599	1.0
99.00893	3.1
99.04521	9.1
99.54532	0.7
101.02454	15.8
109.02959	1.4
111.00880	1.2
111.04492	3.8
111.08171	1.9
113.02465	4.6
115.04021	3.1
117.03465	8.2
119.03495	2.5
121.02940	2.6
123.04556	0.9
125.02465	7.1
125.06022	1.0
127.03954	0.8
131.03545	5.5
133.02968	2.8
134.03755	85.1
135.04489	3.5
135.08159	1.6
137.02483	3.3
141.09157	1.1
143.03513	1.1
149.04564	9.1
149.06090	8.2
151.07581	1.2
155.03535	5.3
157.08673	0.9
161.02477	5.4
161.04550	4.3
165.05504	0.8
173.04558	28.7
173.09650	0.8
179.03491	3.1
179.05664	1.1
191.05638	13.8
193.05066	100.0
194.05411	3.1
197.25513	0.8
198.20235	0.9
208.07431	1.5
217.10719	0.8
226.11798	0.7
235.06097	1.0
239.12965	0.9
251.12755	1.7
289.17975	0.9
307.19174	2.9
335.07779	2.3
353.06442	0.9
367.10339	52.4
368.10776	2.0
385.18631	5.4
397.22263	2.1
431.19308	3.1
435.41748	0.9
467.23254	0.8
469.25641	1.0
485.17426	0.8
511.29065	2.0
529.13159	2.4
529.26099	11.9
529.33771	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	529.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20777	0.3
59.01381	0.7
64.46888	0.3
65.72211	0.2
67.01891	0.4
71.01373	0.7
72.05050	0.3
78.46864	0.3
78.95925	0.5
79.95745	3.0
87.00882	0.3
88.06512	0.3
93.03469	2.3
96.96021	100.0
111.04572	0.4
116.92857	0.6
134.03760	1.5
137.02457	10.1
139.03999	0.5
149.06081	0.4
173.04552	7.0
177.01924	0.3
178.02705	0.3
191.05577	1.8
192.98169	1.4
193.05087	2.8
234.99286	0.6
331.08282	1.0
367.10446	0.4
431.12054	2.9
469.06793	1.3
529.15656	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	529.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99654	0.7
57.03445	1.5
57.68358	0.7
59.01377	5.1
61.98826	3.4
67.01891	1.3
68.99537	1.7
70.00893	0.8
71.01392	4.9
71.56517	1.5
73.02937	1.9
78.95914	2.2
81.03481	1.0
85.02952	12.6
87.00898	4.1
88.98818	1.3
89.02476	2.0
93.03465	10.8
96.96011	8.8
96.96966	4.5
99.04565	1.1
101.02418	1.7
102.44320	0.7
109.02968	3.8
111.00837	0.7
111.04512	1.9
112.98570	1.9
113.02424	1.7
121.02950	1.0
127.04076	2.0
133.02942	2.3
134.03764	1.6
135.04581	4.0
149.02386	1.5
155.03548	1.5
161.02480	1.6
161.04532	1.3
165.05347	0.9
173.04539	6.0
174.03214	0.9
177.01947	1.4
179.03465	2.6
191.05621	100.0
192.05989	3.3
193.06604	1.0
196.05594	0.9
209.05997	1.5
221.06113	1.5
223.06152	2.1
235.40282	0.8
237.05550	3.1
239.07162	0.9
241.05006	1.4
245.09200	1.4
247.03986	3.3
248.04707	1.3
249.05563	5.1
265.05014	9.0
267.06641	10.5
268.07037	1.0
275.03577	3.1
293.04578	13.5
294.04916	1.2
307.08215	1.0
309.03940	2.3
311.05573	8.7
313.07019	1.3
319.02478	9.8
337.03574	11.2
353.08771	1.2
355.08212	1.1
437.16553	1.1
452.18469	1.2
453.18338	1.3
485.10840	5.2
487.09161	1.1
497.17728	1.0
529.10278	2.4
529.19666	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57697	1.2
59.01382	3.7
61.98843	7.7
63.82892	1.2
64.07600	1.3
71.01394	2.9
73.29527	1.4
85.02970	1.4
87.00843	1.5
93.03450	3.3
93.59882	1.3
95.05035	3.0
96.96042	2.8
97.06614	3.1
98.20747	2.4
100.19273	1.3
110.02493	3.1
110.06139	7.3
112.04042	4.5
118.06653	5.7
122.06136	28.7
123.03275	10.9
124.04045	10.8
133.61566	1.3
135.04582	1.6
138.04568	2.2
138.05627	42.0
140.07155	1.3
141.05612	4.4
144.04579	16.9
146.06133	100.0
162.05582	3.9
172.04088	7.5
173.04652	11.3
174.05666	3.6
177.82005	1.2
182.04626	3.2
183.05418	1.9
184.06137	6.4
188.03552	5.6
191.05649	13.3
192.06764	1.3
203.05890	22.0
204.06650	18.6
205.03972	2.2
205.07443	51.7
206.08105	5.4
208.04204	1.3
208.06175	7.7
219.05382	6.8
220.06064	2.9
223.06236	2.5
236.05646	7.7
237.06432	35.2
253.09721	2.1
267.11475	2.5
268.12234	1.8
269.89969	1.3
282.76758	1.5
283.10873	3.8
293.09341	4.2
294.10016	3.3
295.10892	11.9
297.08920	3.1
313.11993	21.1
315.13513	27.9
325.11957	9.0
327.13507	99.5
328.13708	5.1
343.12991	15.6
345.14545	39.4
354.06119	1.6
390.18118	1.6
408.18347	1.4
409.17618	1.6
434.17249	8.5
452.18286	21.4
453.17166	4.7
456.17847	2.6
466.19757	5.8
478.16162	7.7
484.20834	5.2
496.17267	33.2
497.17392	2.2
510.18918	11.3
528.12811	1.7
528.19861	32.4
528.28448	1.7
529.20087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Milbemectin
Peak:m/z	Relative Intensity
59.01382	87.9
61.98848	41.0
63.43534	25.1
65.98859	25.3
66.51725	26.1
71.56286	36.5
76.02644	21.0
87.00843	26.9
96.96024	40.8
99.00883	26.3
106.53859	23.3
111.78609	28.4
167.18367	29.7
275.11111	29.6
373.35623	25.3
489.35019	28.7
527.29346	100.0
527.38037	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
59.01387	100.0
61.98838	2.2
65.22663	1.9
69.97005	7.9
69.97370	3.1
80.48917	1.8
83.05016	2.4
87.00886	1.9
95.41753	1.7
96.95998	1.7
100.53448	1.9
115.59437	1.7
124.96793	6.8
151.00423	2.4
165.99411	4.2
216.78828	1.8
286.14395	2.0
291.19583	3.5
369.27988	2.0
431.31622	4.9
449.30063	2.2
467.31445	2.9
469.32813	2.2
496.30710	2.1
527.29889	5.9
527.35211	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	527.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.0
60.36300	1.0
61.98831	1.7
71.05022	18.0
73.02927	1.2
87.00893	1.7
98.19888	2.3
99.04520	11.8
125.02451	21.8
143.03488	4.1
161.04517	1.9
193.43747	1.1
203.05650	1.2
248.51042	1.0
267.26797	1.8
279.72678	0.9
281.28516	19.2
282.28616	1.1
287.25092	1.1
306.22217	0.9
323.29492	13.4
341.30621	100.0
342.30728	5.4
367.28491	1.6
397.26187	0.8
498.74600	0.9
507.66418	1.1
531.98785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67780	1.7
51.37744	1.7
59.01122	2.1
59.01382	14.2
61.98837	53.9
64.27013	1.9
68.94870	1.8
69.48026	6.0
69.48441	7.5
71.01397	10.8
73.02956	3.4
74.87359	2.1
78.95893	4.0
79.95730	5.1
80.91660	4.4
80.96516	28.2
81.03441	3.0
85.02941	7.8
87.00877	5.2
89.02471	4.8
93.03455	9.9
94.98087	5.3
95.05038	4.5
96.96017	20.7
96.96957	5.0
101.02463	3.9
102.93943	1.8
109.02940	2.8
110.06114	9.5
111.00839	2.2
111.04498	4.5
112.04044	4.7
113.02443	3.5
115.00368	3.0
118.06610	4.2
119.03500	1.9
122.06132	26.9
123.03305	10.2
124.04018	7.7
125.02422	4.3
126.02813	2.2
130.99985	2.0
133.02905	2.2
135.04498	2.6
137.02435	4.2
138.05627	41.4
144.04547	14.9
144.99844	2.0
146.06134	100.0
147.06474	2.3
151.00447	2.3
152.03511	1.9
152.98590	2.9
155.03464	3.2
160.04018	3.2
161.02425	3.4
161.04631	3.4
162.05598	5.7
164.98625	4.3
166.05045	4.2
172.04010	6.7
172.05371	2.1
173.04593	16.9
174.05557	3.1
179.03421	3.2
179.05444	1.8
182.04501	3.0
184.06129	5.9
188.03482	6.7
191.04059	2.9
191.05641	40.3
203.05902	22.7
204.06638	16.8
205.07448	45.3
206.08066	6.4
208.06090	6.3
219.05344	5.6
225.00665	7.1
226.01118	2.5
236.05626	5.4
237.06430	36.7
253.09843	3.9
265.05124	2.3
265.09799	2.3
267.06561	3.0
267.11362	5.6
268.12140	2.7
279.07639	5.9
283.10757	4.3
293.09207	7.7
294.10010	7.4
295.05896	3.0
295.10852	17.6
297.08829	3.4
297.16476	2.5
311.10306	2.6
313.11951	24.7
315.10187	2.7
315.13516	26.1
325.11905	8.4
326.09000	4.7
327.13501	84.7
328.13647	4.1
337.03372	2.2
339.04886	3.0
343.12964	17.7
345.14563	31.3
353.06616	6.5
354.06906	11.2
404.16196	2.5
434.17087	13.9
452.18307	19.0
456.17566	4.0
462.08957	2.5
466.19788	4.8
478.15814	4.9
484.20297	3.0
496.17249	27.5
510.18710	16.5
528.11157	4.7
528.18799	82.7
528.28802	3.6
529.18634	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	527.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71931	1.8
55.01883	3.1
57.03447	5.8
59.01388	55.9
61.98832	9.0
66.90180	1.6
69.03455	1.9
69.19003	17.7
71.01011	2.7
71.01390	41.0
73.02957	15.6
73.28288	1.6
75.00869	2.5
83.01413	7.1
85.02950	15.8
87.00877	5.0
87.04545	2.5
87.61605	1.9
89.02459	32.4
93.03478	2.3
95.01427	1.8
96.96004	2.8
99.00887	6.6
99.04555	1.6
101.02458	36.4
108.44553	1.7
109.52922	1.4
111.00871	4.9
113.02472	11.2
119.03532	2.2
125.02457	3.5
131.03542	13.8
134.03754	2.6
139.04027	2.2
141.27563	1.7
149.04611	12.7
161.04562	5.7
164.80193	1.6
173.04536	3.5
177.01996	1.8
191.05647	7.5
215.05867	1.9
233.06645	1.8
335.20804	39.8
336.21280	3.6
347.18689	7.0
467.25015	100.0
468.25229	7.1
527.28363	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	527.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45963	0.8
57.03441	1.4
59.01387	4.5
61.98812	1.1
71.05011	0.8
84.07626	0.8
155.46280	0.8
206.75252	0.8
261.42151	0.8
289.21716	1.5
303.19116	1.0
358.05484	1.0
393.27921	1.3
423.32733	52.1
424.33002	2.9
425.34329	6.5
469.33255	44.5
470.33435	3.6
491.33456	2.6
527.28998	100.0
528.29297	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	527.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72865	1.4
56.80180	1.4
57.03436	3.8
58.77491	1.5
59.01385	45.3
60.91092	1.5
61.98837	33.9
71.01391	36.6
71.57679	2.3
72.99302	1.9
73.02945	12.5
75.00887	1.8
75.36024	1.6
83.01397	5.5
85.02962	18.4
87.00875	3.9
89.02464	18.1
95.01405	1.9
96.96017	5.8
97.02962	1.8
99.00880	4.2
101.02454	27.1
111.00893	4.6
111.04572	2.1
113.02482	12.6
125.02452	2.6
131.03532	7.3
135.04539	3.1
149.04565	6.9
157.08702	1.7
159.02983	1.7
161.02463	5.1
161.04636	7.4
173.04605	4.3
191.05534	5.5
280.52512	1.6
335.20764	30.7
336.20932	2.4
467.24991	100.0
468.25323	5.8
522.96918	1.8
527.26685	1.9
528.19781	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	527.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80867	1.1
53.21165	1.0
55.01881	1.5
57.03458	6.3
58.00590	3.2
59.01387	95.9
61.02841	1.1
61.15787	1.1
61.98832	5.4
67.01862	1.2
69.03448	2.3
71.01392	83.1
71.56168	1.4
72.99308	4.0
73.02950	13.2
75.35023	0.9
81.03458	2.1
82.85667	1.1
83.01403	3.9
83.05035	2.8
85.02961	18.9
86.00105	1.5
87.00887	12.0
89.02454	100.0
89.31438	1.1
93.03471	13.8
95.01392	2.8
96.96024	4.9
97.02940	2.9
97.06574	2.1
99.00899	3.7
99.04526	9.3
101.02451	52.7
103.04009	1.8
104.61655	1.1
109.02892	1.4
111.00883	3.1
111.04540	3.8
113.02465	19.0
115.04009	1.7
119.03509	7.9
120.01182	1.0
123.04553	1.2
124.47851	1.1
125.02479	10.0
125.06126	1.1
131.03520	49.5
133.02933	1.3
134.03810	1.8
135.04633	2.4
135.38994	1.1
137.02425	3.1
143.03564	1.7
149.04576	71.0
155.03430	3.6
157.08672	2.8
161.02336	1.2
161.04550	1.9
161.13387	1.9
163.11331	1.2
173.04561	51.6
173.08253	1.8
179.05562	1.7
191.05632	46.4
192.05827	1.4
193.04993	1.6
201.11343	2.0
205.12354	7.9
207.10289	5.0
215.14429	11.1
223.13422	1.5
225.11336	4.1
227.19505	1.0
227.32259	1.1
233.06688	3.0
233.15446	3.1
249.11301	1.9
283.07181	1.8
284.07593	3.7
293.08749	2.9
309.13315	1.4
351.18051	1.7
353.13992	2.9
369.19101	7.4
383.17252	3.3
395.20898	1.5
451.17099	6.5
467.25040	1.7
483.18765	4.7
509.27505	3.0
527.18134	4.1
527.24573	20.1
542.40039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
55.46017	0.9
57.03457	1.1
59.01382	22.7
61.98820	3.5
69.03468	1.1
69.33577	1.8
69.33984	5.9
71.01386	19.4
73.02955	2.3
78.95924	4.3
83.01389	1.8
85.02950	7.7
87.00896	3.3
89.02454	9.2
93.03472	4.5
95.01411	1.0
96.96019	11.6
96.96957	6.0
99.00876	1.5
101.02457	13.5
111.00907	1.5
113.02463	5.5
119.03513	4.0
121.02965	1.4
122.06149	1.0
124.07711	1.4
125.02475	1.7
135.04532	1.6
137.06075	1.0
139.07661	0.9
146.02469	1.2
149.02443	1.3
149.04573	0.9
150.03220	3.1
151.03883	1.9
153.01971	6.9
154.08757	0.8
155.03555	2.3
157.12361	1.1
161.02477	1.3
161.04695	1.7
165.05553	4.1
166.05923	2.1
167.03540	1.4
168.04308	1.9
173.04509	5.2
174.01987	3.7
176.07172	1.6
179.03502	1.4
181.05040	1.1
183.06624	2.7
191.05609	16.1
191.07205	1.6
195.06638	2.3
201.06749	1.1
202.02342	0.8
203.08359	0.9
203.12959	3.1
204.06744	0.8
237.05765	1.4
243.07698	2.1
245.09312	10.9
266.05997	1.4
271.10864	1.2
293.04471	2.4
294.05322	2.3
297.08771	5.8
298.09647	1.8
309.07471	1.0
312.08081	1.7
313.08322	1.6
317.10190	1.0
339.05002	0.9
347.17169	3.7
353.06696	5.9
353.10495	1.4
361.18649	1.1
365.13159	0.9
365.18146	23.9
366.18579	1.2
419.19077	1.2
434.17383	2.0
447.38138	1.1
451.15137	1.0
452.18338	13.1
467.21194	1.0
470.36234	1.1
478.16080	1.1
489.19855	2.8
496.17352	6.9
527.23517	100.0
528.24280	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	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89625	0.3
56.80678	0.3
59.01377	4.9
60.01698	0.5
61.98833	100.0
69.26340	1.2
69.26775	2.0
71.01389	2.4
72.95464	0.3
73.02959	0.9
83.01425	0.6
83.87781	0.3
85.02959	0.8
87.00901	0.5
89.02454	2.6
91.02930	0.5
96.06812	0.3
96.96024	0.5
101.02463	1.9
102.02805	0.5
111.00903	0.6
112.69259	0.4
112.83710	0.3
113.02491	0.7
131.03540	0.4
135.04570	0.4
149.04521	0.8
150.04947	0.6
151.05045	0.4
173.04601	0.5
175.45679	0.3
179.03473	0.4
191.05653	1.5
297.23785	0.4
353.06372	0.3
466.22928	1.1
525.29584	1.1
526.17896	0.6
526.29443	7.3
527.18427	0.5
527.30011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98835	100.0
64.89858	0.3
64.90197	0.3
69.51659	1.5
69.52085	1.1
71.01395	0.6
71.25774	0.4
78.95921	0.9
89.02468	0.5
96.96017	2.7
96.96989	0.9
98.20692	0.6
101.02446	0.5
144.75038	0.3
146.95262	0.3
170.14316	0.3
209.39133	0.4
225.07745	0.4
409.24854	0.5
466.22681	2.0
494.16049	0.4
526.29443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98837	100.0
62.67911	0.2
69.22151	1.9
69.22565	0.5
71.01393	0.5
72.99324	0.8
75.00883	0.9
80.96529	0.2
85.03003	0.3
87.00907	0.3
89.02427	0.3
94.56267	0.2
101.02502	0.2
113.02449	0.3
119.04999	0.2
266.11032	0.2
334.32312	0.2
464.21951	0.3
466.22766	1.0
526.18561	0.3
527.18372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.7
59.57218	0.3
60.51216	0.3
61.98837	100.0
69.28539	2.0
69.28950	0.7
71.01398	0.8
73.07344	0.3
77.64667	0.3
85.03002	0.4
89.02421	0.3
90.08247	0.3
96.96002	0.3
100.89920	0.3
101.02428	0.3
135.04556	0.4
151.82390	0.3
173.04646	0.4
191.05663	0.4
202.12553	0.3
257.55890	0.4
318.61728	0.4
455.82220	0.4
466.23544	0.6
526.18689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98835	100.0
71.01388	2.3
71.57317	0.5
73.02969	0.5
78.95913	0.5
85.02968	0.6
85.66428	0.3
89.02463	1.0
96.96020	5.0
96.96976	0.6
101.02480	1.4
102.02785	0.4
108.10738	0.3
113.02411	0.7
119.03535	0.3
131.03531	0.3
163.56514	0.3
191.05740	0.4
464.22162	0.5
465.22534	0.6
466.22879	3.3
467.24832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88470	1.4
57.03452	2.1
59.01391	13.3
61.98837	16.8
67.66894	1.7
71.01398	5.9
71.55079	1.3
73.02959	3.0
78.95904	2.3
83.01373	1.8
83.04984	1.3
85.02959	4.5
89.02448	2.9
93.03479	2.2
96.96053	1.8
99.04536	2.6
101.02455	5.1
103.67104	1.4
105.01180	1.3
110.73258	1.1
113.02470	2.7
117.56966	1.2
123.04482	1.5
124.01649	1.3
125.02398	1.6
131.03561	3.2
133.02956	2.1
134.03758	2.3
135.04544	1.3
137.02481	1.6
149.04576	3.0
150.09253	2.5
157.08766	3.0
157.33138	1.2
159.01976	2.7
161.04703	1.8
164.87740	1.4
171.05627	1.5
173.04604	2.8
177.01857	1.3
185.07068	2.2
187.01515	9.0
191.05672	5.6
199.05154	4.9
200.02284	5.4
201.06720	3.4
205.12332	2.0
213.06718	1.9
215.04623	1.6
223.09758	3.9
227.04628	4.0
227.08257	2.1
228.01877	1.8
229.06187	3.2
239.08151	1.5
240.03017	1.6
240.05327	2.3
241.06229	5.0
243.04030	4.3
244.06102	1.9
254.04506	3.3
255.04070	2.1
255.04958	2.0
255.07721	18.5
257.05722	8.3
258.06403	4.2
265.06281	2.6
268.04910	2.5
269.05643	4.3
270.06339	1.6
283.07257	77.7
284.07742	5.7
289.08490	1.5
290.08838	1.5
298.09637	2.1
311.06717	5.6
315.06372	1.4
325.08276	4.2
326.09082	17.9
327.09845	1.7
367.17813	1.7
368.17685	1.9
369.19238	1.7
425.17252	1.8
450.16727	100.0
451.17017	7.8
466.23886	1.5
494.15292	1.6
525.35425	2.7
526.18353	72.1
527.18689	6.7
527.28027	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	525.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47623	0.5
55.01858	0.9
56.32866	0.4
57.03456	0.8
59.01386	29.9
61.98827	1.5
69.03467	0.6
69.49573	2.4
69.92374	0.5
71.01387	11.3
73.02951	4.1
75.00884	0.5
77.68295	0.4
81.98817	0.4
83.01407	2.6
85.02959	5.9
87.00874	1.3
89.02454	4.1
95.01389	1.4
96.96024	1.5
99.00887	1.5
101.02451	10.6
109.06584	0.8
111.00880	1.7
113.02458	5.2
119.03510	1.1
125.09737	0.5
129.09242	0.6
137.09697	0.7
139.07669	1.3
143.10791	0.7
143.54872	0.5
144.74648	0.5
153.09212	1.7
155.10794	1.1
156.08925	0.5
159.02989	1.2
161.04541	1.0
169.12376	0.7
173.11816	3.2
178.65762	0.5
191.05692	0.6
195.06627	0.5
212.81259	0.5
291.14496	0.7
301.23846	1.0
303.21783	4.1
345.22754	1.2
363.23761	0.9
465.27359	5.7
507.28165	3.4
525.29181	100.0
526.29547	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	525.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98835	2.7
70.57434	5.2
71.01389	69.5
79.65717	1.5
88.21216	1.4
88.51230	1.5
94.52156	1.5
97.06584	1.4
127.38140	1.4
147.78682	1.3
285.89914	1.5
299.62930	1.6
407.33521	2.2
443.31482	2.6
453.33743	100.0
454.34164	7.0
487.34409	6.9
489.35785	5.5
525.36011	96.0
526.36273	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	525.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71066	0.5
55.01880	0.9
57.03449	1.2
58.00592	1.0
59.01387	31.7
61.98829	1.9
69.20983	2.9
69.21404	2.2
70.87080	0.6
71.01383	9.3
72.99312	0.9
73.02962	3.8
75.00882	0.5
83.01412	2.7
85.02948	5.3
87.00871	1.4
87.04488	0.6
89.02451	3.3
93.03452	0.6
99.00876	1.1
101.02460	9.4
109.06617	0.8
111.00896	1.9
111.08157	0.6
113.02443	3.9
119.03516	1.3
125.09748	0.5
125.25794	0.5
129.09212	1.2
135.08147	0.7
136.09923	0.5
137.02443	0.8
143.30847	0.5
153.09229	2.3
155.10814	0.7
159.03021	1.0
161.04546	1.1
173.11813	2.0
191.05504	0.9
301.23669	0.6
303.21750	2.5
345.22806	0.8
363.23846	1.6
465.27008	4.3
466.27692	0.7
473.26163	0.6
507.28253	3.2
525.29175	100.0
526.29724	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	525.2709
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
59.01368	6.2
66.73676	1.5
69.03468	10.7
71.01386	4.7
71.05025	3.3
71.55181	2.8
80.02726	2.2
81.03444	2.4
83.01387	2.1
83.05038	11.0
84.02169	2.0
89.02402	1.8
97.06560	2.6
101.02419	2.3
123.08146	3.2
125.06145	1.4
125.09761	7.9
141.11340	1.6
151.11288	6.5
152.82533	1.7
161.09778	10.7
163.11276	7.8
165.12872	2.6
179.10800	34.3
185.11836	2.0
191.10625	2.4
197.11848	96.6
198.12193	3.3
209.11844	86.6
223.09773	6.7
225.11348	2.0
227.12929	13.4
241.10808	16.3
297.13464	9.0
315.14484	21.9
333.22852	2.0
438.36649	1.7
448.49512	1.7
463.26752	2.3
465.27182	7.9
507.25784	2.9
515.34381	1.7
525.27069	100.0
526.27209	5.0
537.51532	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	525.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03515	1.1
55.01874	3.4
56.27653	1.1
57.03455	2.7
59.01385	54.9
61.98834	2.3
69.03481	1.4
69.36047	10.0
71.01389	32.4
71.01782	1.7
72.99303	2.9
73.02956	16.8
76.43041	1.1
83.01395	14.9
85.02956	21.9
86.00103	2.9
87.00877	2.0
89.02457	4.4
95.01393	2.8
97.02920	2.0
99.00882	5.9
101.02454	44.4
103.04000	1.8
108.43228	1.2
111.00886	1.4
113.02466	15.2
125.02488	1.7
129.01874	1.3
143.03525	2.1
159.03044	2.8
161.04535	10.9
163.06148	2.4
170.19557	1.1
229.07275	1.9
260.49606	1.2
292.76001	1.1
319.21259	78.5
320.21585	3.1
465.27032	100.0
466.27448	7.1
481.31161	1.6
495.12033	1.3
525.29486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.1
61.98828	4.5
66.19661	1.7
69.27305	1.6
69.38876	8.3
69.39297	6.4
71.01010	2.2
71.01385	27.2
71.73956	1.8
73.02943	6.2
75.00847	3.0
78.95908	2.1
81.03458	2.1
83.01394	2.3
85.02946	8.0
89.02443	10.6
96.96037	4.6
99.00891	5.5
101.02448	14.7
111.00932	2.5
113.02431	6.6
125.02508	3.8
131.03561	2.4
134.03647	2.1
139.07655	10.5
149.04489	2.6
150.03264	4.4
161.04617	11.2
163.42134	2.1
165.05566	9.3
166.02724	2.6
167.03481	2.9
179.03474	2.1
181.05042	3.5
191.05577	8.0
233.06671	3.5
235.06082	7.2
240.22662	2.4
293.09103	2.2
311.07825	8.3
333.15509	4.8
465.19360	11.9
489.19794	100.0
490.20224	5.7
525.17358	65.5
525.29486	4.0
526.17505	3.5
544.35901	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	525.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37846	2.0
55.01902	2.4
57.03445	4.2
58.00598	3.6
59.01387	99.0
60.01717	2.2
61.98839	14.7
67.97903	2.1
69.03481	2.7
71.01393	77.3
71.15054	5.3
72.99296	4.9
73.02964	13.3
75.00883	2.4
78.95924	2.7
83.01406	3.3
85.02978	13.2
87.00887	7.7
87.04523	3.2
88.98824	2.7
89.02456	100.0
93.03484	4.2
97.02959	4.1
97.06613	3.2
98.19965	2.6
99.04512	3.6
101.02452	61.1
108.02180	2.9
111.04543	2.8
113.02494	12.0
119.03525	7.7
122.06136	2.7
123.00917	4.3
123.04494	2.4
125.02491	5.4
131.03520	32.9
135.04561	7.9
137.02435	2.8
139.03990	3.1
139.07704	2.3
143.03502	2.8
149.04565	95.7
151.07629	2.5
157.08742	13.1
161.04572	4.1
173.04572	12.8
191.05615	21.7
205.08766	3.8
223.09787	29.2
231.13930	10.7
351.21713	4.6
367.17599	22.7
465.23111	7.2
524.35217	4.2
525.13965	8.3
525.20563	6.0
525.27100	19.4
525.35364	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	525.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69091	1.2
57.03445	2.8
59.01382	21.1
61.98819	2.9
67.01904	1.4
67.43780	1.2
68.34502	1.1
69.03471	1.5
69.54275	6.4
71.01388	18.5
73.02961	5.0
73.68008	1.1
75.00895	2.6
77.16363	1.1
78.95913	1.9
82.95419	2.4
83.01398	3.0
85.02965	5.5
87.00876	3.4
88.82185	1.1
88.98824	1.5
89.02436	8.6
91.01901	1.8
93.03470	3.0
95.01381	2.8
96.96016	4.4
96.96962	3.1
97.06583	1.6
98.19869	2.1
99.00881	3.0
99.04466	1.8
101.02457	11.3
101.94939	1.1
107.01395	2.7
108.02180	4.5
109.02944	2.3
111.00914	2.5
113.02473	8.0
119.03495	2.2
121.02913	3.2
122.03745	6.6
123.00864	3.6
123.04533	12.3
125.02477	2.9
131.03526	2.4
133.02919	1.0
134.03690	2.0
135.04549	1.5
137.02533	1.7
137.06139	1.2
138.03297	1.8
143.03497	1.2
149.02449	2.6
150.03239	59.2
151.00420	6.5
151.03722	1.6
152.01172	8.7
153.01910	2.6
153.05579	3.4
155.10860	1.2
157.08682	2.0
161.04541	2.5
165.05582	99.7
166.02713	2.8
166.05908	2.4
167.03506	36.6
168.03748	1.0
173.04543	2.0
179.03520	1.8
180.04277	1.8
181.05083	3.1
183.10333	1.5
185.63791	1.0
191.05617	7.6
195.06577	2.3
213.07712	3.7
235.06079	1.6
260.05124	2.0
268.24701	1.1
272.08710	1.1
293.08813	1.2
296.05365	4.5
297.06384	1.1
311.07745	100.0
312.07999	3.2
319.06183	2.1
321.15524	1.8
345.22690	6.5
357.15829	1.3
363.23923	2.4
381.17542	2.5
465.19443	6.6
489.19894	18.6
490.20441	1.7
507.27979	2.2
525.16559	41.8
525.29089	41.7
526.17139	2.9
526.30035	1.5
547.85309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.89127	7.5
69.89516	15.3
86.38239	4.5
89.73855	4.9
100.58795	4.7
101.38755	4.5
149.23181	4.6
293.42084	4.6
449.16220	5.2
475.48709	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	525.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69091	1.2
57.03445	2.8
59.01382	21.1
61.98819	2.9
67.01904	1.4
67.43780	1.2
68.34502	1.1
69.03471	1.5
69.54275	6.4
71.01388	18.5
73.02961	5.0
73.68008	1.1
75.00895	2.6
77.16363	1.1
78.95913	1.9
82.95419	2.4
83.01398	3.0
85.02965	5.5
87.00876	3.4
88.82185	1.1
88.98824	1.5
89.02436	8.6
91.01901	1.8
93.03470	3.0
95.01381	2.8
96.96016	4.4
96.96962	3.1
97.06583	1.6
98.19869	2.1
99.00881	3.0
99.04466	1.8
101.02457	11.3
101.94939	1.1
107.01395	2.7
108.02180	4.5
109.02944	2.3
111.00914	2.5
113.02473	8.0
119.03495	2.2
121.02913	3.2
122.03745	6.6
123.00864	3.6
123.04533	12.3
125.02477	2.9
131.03526	2.4
133.02919	1.0
134.03690	2.0
135.04549	1.5
137.02533	1.7
137.06139	1.2
138.03297	1.8
143.03497	1.2
149.02449	2.6
150.03239	59.2
151.00420	6.5
151.03722	1.6
152.01172	8.7
153.01910	2.6
153.05579	3.4
155.10860	1.2
157.08682	2.0
161.04541	2.5
165.05582	99.7
166.02713	2.8
166.05908	2.4
167.03506	36.6
168.03748	1.0
173.04543	2.0
179.03520	1.8
180.04277	1.8
181.05083	3.1
183.10333	1.5
185.63791	1.0
191.05617	7.6
195.06577	2.3
213.07712	3.7
235.06079	1.6
260.05124	2.0
268.24701	1.1
272.08710	1.1
293.08813	1.2
296.05365	4.5
297.06384	1.1
311.07745	100.0
312.07999	3.2
319.06183	2.1
321.15524	1.8
345.22690	6.5
357.15829	1.3
363.23923	2.4
381.17542	2.5
465.19443	6.6
489.19894	18.6
490.20441	1.7
507.27979	2.2
525.16559	41.8
525.29089	41.7
526.17139	2.9
526.30035	1.5
547.85309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.4
61.98836	100.0
69.59832	4.2
71.01396	3.4
73.02949	1.7
85.02973	1.8
89.02464	1.0
93.70274	0.6
97.37312	0.6
101.02481	3.3
113.02456	1.5
119.03545	0.8
161.04509	1.3
189.35870	0.6
300.34790	0.6
323.49783	0.6
355.74554	0.6
375.23956	1.4
417.25049	2.5
523.34991	1.2
524.35339	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	524.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.3
59.01384	20.2
60.01712	1.1
61.39586	0.3
61.98835	100.0
68.20056	0.3
71.01392	2.1
73.02941	0.8
75.00884	0.9
85.02972	0.8
89.02466	0.7
101.02446	1.8
106.66476	0.3
113.02441	0.8
131.03545	0.5
161.04593	0.4
163.06084	0.4
173.04675	0.6
180.02611	0.3
180.08850	0.3
209.19284	0.3
234.55220	0.3
270.51517	0.3
341.32373	0.3
350.29370	0.3
382.21240	0.3
382.72018	0.8
383.97037	0.3
436.90665	0.3
457.50360	0.3
523.35046	0.5
524.35400	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	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75322	1.4
57.03443	4.1
58.00592	1.9
59.01384	36.7
60.01726	2.5
61.98834	34.3
65.89915	1.5
71.01015	2.2
71.01388	39.9
72.01733	2.7
72.99287	2.1
73.02964	10.4
74.03251	1.5
78.75504	1.6
83.01392	5.3
85.02956	18.4
87.00900	2.1
88.90612	1.4
89.02444	19.1
95.01395	2.4
96.96012	1.6
99.00886	5.5
101.02448	26.8
102.02782	2.5
106.06632	2.3
108.04561	2.5
110.06099	4.8
111.00922	2.4
113.02463	13.2
116.05038	1.7
119.03483	5.0
122.06115	9.3
125.02438	2.1
131.03561	2.5
134.06120	7.0
136.07681	3.4
142.78777	1.5
143.03523	1.9
146.06099	3.5
152.07199	7.3
161.02429	1.9
161.04593	9.2
173.04672	3.5
174.05423	1.9
180.06689	16.2
188.07132	6.7
191.05650	3.1
193.32634	1.6
201.10324	4.2
213.10333	2.3
215.11852	2.6
223.08826	2.9
225.10344	2.1
229.17810	1.8
236.09601	1.6
237.10408	3.8
238.10960	2.3
239.11827	11.5
241.13449	2.4
249.10103	1.8
251.08162	2.9
251.11887	3.6
263.11887	2.3
264.09030	4.5
265.09775	11.5
266.10565	3.8
267.11398	6.6
279.07950	3.6
279.11389	6.9
280.12061	5.1
281.09430	2.3
283.10797	6.7
291.11429	2.3
292.08563	2.2
293.09296	13.0
298.09415	2.2
307.10928	19.1
308.11664	33.4
309.12143	2.5
309.62683	1.5
312.11023	3.1
340.10608	16.4
351.09760	2.5
361.29666	12.2
362.29834	6.4
388.16806	1.8
405.52670	1.6
418.17801	7.4
430.12210	2.2
430.17722	36.6
431.17841	5.3
448.18805	52.6
449.19061	2.9
462.16885	1.9
465.23215	2.4
474.16589	5.7
492.17783	100.0
493.18021	6.4
506.19312	3.6
523.27863	2.6
523.35034	45.6
524.20520	31.3
524.35541	42.3
525.20404	2.9
525.35352	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01664	0.3
55.01880	3.3
57.03209	0.4
57.03458	4.8
58.00599	0.7
58.86828	0.4
59.01388	17.0
60.01730	0.4
61.90250	0.3
61.98827	1.3
67.55202	0.3
69.03448	0.9
71.01391	25.8
71.11901	0.6
72.01704	0.4
72.07150	0.3
72.99306	1.1
73.02950	8.9
83.01399	5.5
85.02959	14.9
85.06602	0.5
86.00102	0.5
87.00891	1.6
89.02454	5.9
95.01389	2.7
97.02971	0.8
99.00886	4.6
101.02456	20.8
102.02815	0.5
109.31178	0.3
111.00883	4.0
112.98586	0.3
113.01722	0.6
113.02464	9.9
119.03496	1.7
121.02974	2.2
125.02439	0.5
129.01967	1.3
131.03520	0.6
131.44594	0.3
131.75510	0.3
134.56129	0.3
143.03491	1.2
149.04578	0.6
150.59505	0.4
151.04053	0.3
156.61058	0.3
159.03001	2.3
161.02507	0.6
161.04573	4.2
166.06366	7.8
173.04532	0.7
179.05600	1.3
179.07050	0.3
181.08740	4.4
191.05602	1.3
216.88466	0.3
229.18034	2.6
287.49561	0.4
315.25424	1.4
343.14200	0.3
349.18546	0.4
361.29633	12.2
362.29874	0.6
463.22299	0.7
505.34766	0.4
523.34937	100.0
524.35278	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18290	1.8
56.61204	1.7
59.01389	40.6
61.98840	7.7
69.88817	7.4
87.00875	2.3
120.21027	1.9
124.30098	1.7
139.25693	2.2
441.33887	3.6
479.37686	2.3
487.38251	100.0
488.38205	8.4
523.34601	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	524.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30411	0.5
59.01385	3.9
61.98835	100.0
69.24178	5.0
71.01390	1.3
72.01729	0.6
73.02947	0.6
75.00862	0.6
85.02946	0.8
89.02482	1.0
93.03423	0.5
99.04502	0.5
101.02473	1.0
113.02417	0.6
173.04538	0.7
518.00153	0.5
523.35071	1.6
524.35242	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	523.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11471	0.4
50.38352	0.4
52.88590	0.4
55.01880	3.7
57.03456	5.2
58.00595	1.0
59.01386	22.7
60.01722	0.9
61.98835	10.6
67.01904	0.5
68.99575	1.3
69.03463	1.1
71.01389	29.2
71.05019	0.4
71.57211	0.5
72.01740	0.5
72.99310	1.2
73.02955	11.2
75.00862	0.6
83.01392	6.1
85.02961	14.8
85.06610	0.8
86.00108	0.9
87.00896	2.1
88.98795	0.5
89.02454	8.6
90.02776	0.5
93.03463	0.6
95.01396	2.8
96.96035	0.6
97.02968	0.5
99.00883	4.2
101.02451	22.5
102.02817	0.5
111.00903	4.4
111.01609	0.7
112.98578	1.6
113.02458	10.5
119.03483	2.5
121.02980	2.6
125.02460	0.6
129.01981	1.1
131.03510	1.4
135.20422	0.4
137.02434	0.7
143.03529	1.0
143.10780	1.2
149.04558	1.2
159.03003	2.0
161.02490	0.6
161.04564	4.8
166.06369	8.7
167.74956	0.5
173.04565	0.5
177.02031	0.6
179.05673	1.0
179.07118	0.4
181.08730	5.2
181.84535	0.4
191.05576	2.0
229.18138	2.0
285.10367	0.5
293.08575	0.5
311.09180	0.5
315.25534	1.3
328.12115	0.5
342.14102	0.7
343.14444	0.8
343.21173	0.6
361.29608	11.8
362.29892	0.5
445.24548	0.7
463.21957	1.8
493.30078	0.6
513.85724	0.4
523.34985	100.0
524.35297	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	523.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04060	4.5
59.01380	12.4
61.98835	17.1
66.21180	5.3
69.33460	9.5
69.33866	32.2
121.93659	5.6
132.71558	5.2
136.24976	5.4
150.90208	4.9
154.81552	5.3
154.83171	6.7
228.41626	5.9
345.29236	5.3
485.33127	7.4
487.34103	21.7
499.91180	6.5
523.31708	100.0
524.31787	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	523.3278
Annotation	1beta-Hydroxymakisterone C
Peak:m/z	Relative Intensity
57.03449	2.2
59.01382	6.5
61.98829	3.1
71.01377	1.6
71.55547	1.5
73.02959	1.1
75.00905	1.1
83.05060	2.1
96.96045	1.8
97.06586	1.4
99.04535	2.2
109.06586	1.3
111.04562	1.2
118.13145	1.2
123.08207	2.7
125.02454	1.4
135.08223	1.2
137.06107	1.2
137.09708	1.6
149.06145	2.9
149.09683	1.7
150.06860	11.2
153.09244	2.1
155.10826	1.7
162.06879	55.5
163.07669	12.3
164.08501	1.2
167.10751	1.8
167.18884	1.2
176.08440	5.5
177.09221	18.7
212.27733	1.1
258.16229	2.6
273.18713	4.9
319.93399	1.1
331.50150	1.1
340.86948	1.2
345.22845	37.7
346.23312	1.8
444.28680	1.7
459.31491	3.2
463.30743	1.2
463.84674	1.1
485.32895	3.1
487.30161	1.8
487.35156	1.8
505.31830	27.3
505.39008	2.0
506.32272	2.1
523.32922	100.0
524.33453	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	523.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98836	2.0
65.23480	1.1
65.27230	1.2
66.86416	1.2
69.41610	1.8
69.42010	8.1
74.28368	1.1
78.95919	1.7
81.17123	1.2
98.19861	2.1
116.92931	1.1
120.19469	1.1
121.68578	1.1
135.61516	1.2
180.63971	1.2
200.92694	1.3
283.64258	1.4
322.19800	1.3
399.36331	3.0
425.34464	2.0
443.35291	22.0
444.35803	1.6
469.33209	2.3
487.34326	100.0
488.34402	7.3
523.31927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
61.98863	2.0
71.05013	3.3
97.06567	2.7
98.20656	8.3
155.10808	2.6
186.63589	2.3
193.08406	3.0
222.96756	2.1
229.14159	2.1
239.16499	3.4
369.24213	2.2
407.29437	2.4
423.32574	6.7
461.36383	62.3
462.36493	4.4
467.31882	2.4
469.33212	100.0
470.33646	9.0
485.32706	2.6
487.34586	37.0
488.35159	3.1
523.36920	94.9
524.36761	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	523.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52538	0.8
57.03443	2.5
59.01381	4.6
59.58774	0.8
60.99305	2.7
61.98826	3.2
78.95928	0.8
98.02535	0.8
134.95470	0.9
152.99614	1.0
154.44154	0.9
175.37035	0.9
185.49211	0.9
293.95129	0.9
308.71301	0.8
423.32675	1.0
463.29834	0.8
487.34406	100.0
488.34625	7.7
523.26318	2.3
523.33905	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	523.2318
Annotation	Vielanin C
Peak:m/z	Relative Intensity
57.34081	10.0
59.01400	65.0
61.98824	18.5
65.49987	10.3
71.01389	31.4
73.02921	11.9
84.07844	11.4
85.02962	14.0
89.02451	12.3
98.19938	27.9
99.32813	12.5
101.02448	29.3
110.04418	13.5
173.58955	10.5
192.13788	13.0
366.11621	12.1
404.16031	11.8
443.72946	15.3
523.22919	100.0
523.29810	16.7
523.33893	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00546	0.6
59.01386	6.2
61.28706	0.5
69.03439	0.5
69.65791	3.2
71.01382	3.1
73.02966	0.6
78.95891	0.7
83.01417	0.6
85.01025	1.7
85.02948	6.9
87.00874	2.2
89.02447	3.4
89.06896	0.6
93.03465	4.1
96.96014	2.5
96.96978	1.5
99.00893	0.7
99.04506	0.7
100.83115	0.6
101.02461	1.5
109.02989	0.6
111.00930	1.0
111.04517	1.3
113.02451	2.5
114.46540	0.6
124.01675	1.2
127.04017	1.4
129.01921	0.7
131.03513	0.6
137.02470	1.4
139.00392	0.6
139.04018	2.3
143.05235	0.7
148.05356	1.3
149.04564	2.3
161.04562	0.8
163.07605	1.6
164.03215	0.6
165.01945	0.7
173.04549	1.8
175.04036	1.9
176.04800	0.9
188.04752	1.1
191.05630	50.7
192.05984	2.5
199.04167	1.0
203.07152	0.7
205.05040	0.7
217.05304	3.1
219.10657	0.6
221.08221	1.8
235.06142	6.8
247.06224	0.6
259.06436	0.9
267.72635	0.6
277.07312	1.2
285.98309	0.7
287.05841	10.7
289.07327	3.3
300.06610	1.2
301.07352	3.1
307.08234	2.4
333.09793	1.8
343.12119	1.4
349.13168	2.2
361.09253	2.8
379.10577	1.1
383.13422	0.9
427.12491	11.3
439.36957	0.6
469.13531	1.0
487.14767	1.2
523.18457	100.0
524.18811	6.0
529.19513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82905	22.0
71.69157	4.9
90.68155	4.8
93.34184	6.1
114.63476	5.6
123.04488	4.9
147.04579	6.1
148.05318	6.6
149.06114	13.7
151.45174	4.6
163.07617	12.0
175.03987	7.6
176.04784	18.8
188.04755	30.5
189.05495	4.7
191.07138	18.7
202.48958	4.6
203.07162	23.2
206.05814	23.2
221.08212	100.0
235.06139	18.4
263.09094	9.0
265.07263	24.4
316.13705	4.9
325.09311	34.0
349.13010	6.4
383.13446	18.9
427.12369	50.8
487.14835	7.1
523.12238	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88127	1.2
59.01383	7.8
69.73563	3.4
69.73999	4.2
70.66694	1.3
71.01382	7.5
73.02947	2.1
75.00903	2.0
83.01375	2.1
85.01057	1.4
85.02978	10.3
89.02448	2.5
93.03460	4.5
96.96026	3.9
99.00903	2.4
101.02477	2.5
109.02998	1.6
111.00885	3.1
111.04548	2.1
113.02466	2.9
124.01682	1.7
127.04020	2.5
134.03745	3.9
135.04478	1.4
137.02539	1.6
139.04010	1.4
148.05295	2.6
149.06084	6.6
155.93460	1.2
161.04562	6.0
173.04593	1.8
175.03972	7.1
176.04778	9.8
177.05452	1.3
188.04755	2.4
189.12077	1.3
191.05632	56.2
191.07195	10.4
192.05923	1.6
205.05145	1.5
217.05315	3.3
220.03856	1.5
230.06097	1.7
233.06573	1.8
235.06143	57.4
236.06577	1.8
247.06223	1.8
253.07291	4.0
259.06293	2.6
267.15332	1.2
277.07111	1.9
287.05814	11.1
289.07285	10.7
300.06784	2.6
301.07330	2.6
307.08228	3.4
325.09250	6.1
349.13177	3.3
427.12433	14.5
487.14590	7.1
523.12128	9.2
523.18585	100.0
524.18884	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	522.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.33377	1.3
65.29332	1.2
67.46853	1.1
74.57945	1.3
75.78799	1.2
81.51770	1.1
91.09199	1.1
98.20692	2.8
127.81815	1.3
211.67126	1.2
218.18336	1.5
359.93188	1.3
371.13651	1.4
411.29654	1.3
485.66956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.8
59.01385	40.8
60.01679	1.5
61.98845	14.1
69.75426	1.4
71.01392	26.5
71.56255	1.6
71.56642	2.2
72.99328	2.8
73.02951	10.2
74.97861	1.4
75.00867	2.6
78.29716	1.5
78.95899	4.1
83.01373	3.5
85.02958	12.7
87.00878	4.8
88.98830	2.1
89.02456	28.2
93.03465	12.1
96.96024	16.0
96.96944	7.1
97.02979	1.5
97.47977	1.6
99.00886	3.0
101.02460	18.1
101.27470	1.5
108.02182	5.2
110.00086	1.6
111.00892	14.9
113.02458	12.3
119.03526	7.1
121.02987	9.3
123.04522	1.7
131.03528	5.7
134.03758	4.1
135.04547	2.7
135.47214	1.8
137.02451	19.6
139.03954	2.3
141.83086	1.5
149.02454	1.7
149.04541	11.9
149.06029	3.6
153.05530	2.2
161.02496	1.7
161.04584	10.7
163.04062	1.9
164.04778	3.1
165.01924	10.3
166.02722	2.1
167.03517	4.5
175.03998	3.3
176.04736	4.9
177.05432	1.9
179.03558	1.8
179.05626	3.7
179.07208	2.7
181.05101	2.5
191.05623	11.5
191.07187	7.2
197.08101	1.5
201.05624	2.6
204.04259	2.3
207.06584	1.5
208.03746	2.1
218.44055	1.9
220.03667	2.1
230.05878	4.1
233.06575	2.8
235.06136	100.0
236.06444	3.4
241.05148	1.6
245.08118	2.7
259.06192	3.1
271.06482	1.6
271.09790	2.8
281.06689	6.8
289.07248	22.4
299.09674	2.1
307.08240	4.2
343.08316	2.7
343.21155	4.0
361.22342	2.8
461.14557	7.2
463.21844	28.8
469.13400	3.2
479.15613	7.3
487.14432	6.3
487.21362	1.9
505.13510	4.4
505.26410	7.5
523.12408	9.7
523.20093	5.6
523.27747	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03453	3.0
58.00613	0.7
59.01385	81.7
60.01727	1.0
61.98835	100.0
69.25159	5.4
69.25575	1.3
71.01386	21.1
72.01730	0.8
72.99314	1.1
73.02943	5.3
75.00896	0.9
78.95915	1.0
83.01396	2.8
83.24328	0.7
85.02953	9.2
86.03291	0.8
86.66861	0.7
87.00884	1.8
88.98814	1.5
89.02454	7.7
90.02798	0.9
93.03472	1.4
95.01416	2.2
97.06599	0.6
98.20697	1.1
99.00893	2.3
101.02448	15.0
102.02807	0.8
107.22359	0.6
111.00880	1.4
113.02452	7.4
119.03529	3.0
135.04524	1.2
143.03496	1.6
143.10873	0.7
149.04582	0.8
159.03070	1.6
161.02522	1.1
161.04587	6.0
172.84271	0.7
173.04573	1.1
178.63011	0.7
179.05708	1.5
191.03503	0.8
191.05658	1.8
229.18059	1.6
297.08002	0.8
297.62622	0.7
359.27972	3.4
360.28351	3.9
361.29541	3.2
373.22366	3.4
390.21967	0.9
415.23111	4.2
446.17960	0.8
493.00995	0.8
521.33344	8.9
522.33929	18.9
523.34967	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2841
Annotation	Pyrichalasin H
Peak:m/z	Relative Intensity
61.98835	100.0
62.40208	0.6
71.11258	0.6
77.05590	0.5
83.49609	0.6
156.58691	0.7
237.36060	0.6
243.74506	0.6
251.41615	0.5
257.57007	0.6
437.24667	1.2
437.30597	18.4
438.31085	1.2
440.31619	1.3
487.34164	2.0
522.28387	67.9
523.28632	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	522.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31860	0.3
51.49142	0.3
59.01386	2.0
61.98834	100.0
62.87502	0.3
64.35780	0.3
71.01385	1.2
71.13127	0.5
73.02942	0.4
73.14671	0.3
75.42902	0.4
85.02948	0.5
88.81262	0.2
88.98833	0.8
89.02454	1.0
90.02815	0.2
93.03465	0.3
96.96014	1.2
97.21687	0.3
101.02463	0.7
104.05099	1.1
111.00887	0.4
113.02454	0.6
113.88438	0.3
114.03100	0.3
114.15303	0.3
120.04633	0.3
131.00760	0.3
135.04532	0.8
148.04057	3.4
149.04594	0.3
161.02489	0.5
161.04602	0.3
166.05107	5.5
171.94675	0.6
173.04550	0.4
179.03568	0.5
191.05554	2.0
192.03091	1.1
210.04039	2.1
235.06084	1.7
241.27794	0.3
253.48271	0.3
289.07379	0.6
312.74414	0.3
459.15442	0.9
460.12671	0.4
471.95657	0.3
478.13550	1.7
522.12756	0.9
522.26544	1.0
523.27704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.4
61.98837	100.0
64.46941	0.5
70.23679	0.5
71.01382	3.1
73.02995	0.6
85.02957	2.0
89.02470	1.1
101.02467	2.2
113.02448	1.5
131.03561	0.6
161.04549	0.7
229.53540	0.6
238.25479	0.7
330.14407	1.1
361.65955	0.5
373.22476	2.0
415.23492	1.5
522.26349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
57.03448	3.8
58.00597	2.1
59.01386	100.0
61.98841	1.7
63.31552	1.0
69.03466	1.5
69.28999	5.0
69.29426	5.2
69.66567	1.1
71.01390	57.2
72.99280	1.2
73.02953	15.7
79.88558	1.0
83.01385	7.6
83.05027	2.3
84.02164	1.2
85.02960	24.1
87.00888	2.1
89.02454	18.6
95.01404	4.5
97.02946	1.7
97.06592	4.8
99.00887	6.0
101.02457	30.1
109.06602	3.1
111.00903	2.0
113.02465	23.5
119.03483	7.6
125.02457	3.8
131.03554	1.7
133.03014	1.6
143.03500	3.2
149.04587	1.5
152.53578	1.1
159.03015	3.0
161.04570	13.0
173.04630	1.5
177.01959	1.6
179.03647	1.1
179.05515	1.2
191.05643	1.3
213.18639	2.4
218.88170	1.2
315.25464	2.7
317.26984	6.4
324.45236	1.2
341.27063	2.8
359.28082	14.1
377.28970	1.6
389.25552	2.0
461.24216	3.9
461.31195	34.7
462.31897	1.6
477.30490	1.4
479.32291	15.4
503.32574	1.9
521.33453	88.3
522.33899	8.3
547.70691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.1
57.03456	4.5
58.00584	0.9
59.01385	20.6
61.98841	0.5
69.03448	0.7
69.23320	4.3
71.01385	30.9
72.99313	1.1
73.02554	0.9
73.02949	12.3
75.00869	0.8
80.83997	0.5
83.01391	6.8
85.02955	17.8
86.00111	0.5
87.00900	3.0
89.02457	7.0
93.07101	3.1
95.01402	2.4
97.02950	0.9
98.19870	0.8
99.00880	5.4
101.02451	24.2
111.00882	3.8
113.02457	10.9
119.03486	1.4
125.02459	0.8
129.01950	1.3
131.03490	2.1
135.04523	0.5
141.01945	0.7
143.03496	1.1
143.10783	2.0
149.04543	2.7
159.03017	2.9
161.04558	8.0
164.57803	0.5
191.05624	1.5
211.16957	0.5
227.03511	0.5
229.18083	7.0
243.02977	1.0
244.03174	0.6
271.02356	1.3
272.02548	0.9
273.03085	1.0
299.01886	1.4
300.02386	2.0
301.02618	2.2
302.03339	0.6
314.04443	0.6
315.05038	3.3
316.05072	2.7
317.05646	2.2
359.28033	5.0
391.23389	17.1
392.23737	1.0
461.31543	0.8
485.31421	0.8
491.32281	1.1
503.32303	0.8
521.12274	3.5
521.33325	100.0
522.33752	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	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.4
57.03452	4.2
58.00589	1.6
59.01387	26.9
61.24276	0.7
61.98829	0.9
69.50571	5.2
71.01394	36.0
72.99296	1.7
73.02956	12.7
80.49451	0.7
83.01397	6.7
85.02960	20.2
87.00877	3.0
89.02450	10.6
93.07135	3.5
95.01405	3.8
96.96053	0.8
97.03000	1.0
99.00880	5.8
101.02457	29.2
105.75510	0.7
111.00903	2.8
113.02471	13.0
115.10898	0.6
115.59190	0.6
119.03505	5.0
123.04388	0.6
125.02474	1.1
129.01895	1.3
143.03514	1.9
143.10811	0.9
151.03954	0.9
157.08681	1.9
159.03027	3.9
161.04564	9.8
179.05722	1.0
181.15942	0.7
191.05658	1.8
229.18094	14.1
246.09047	0.7
329.14072	0.9
359.14151	0.8
359.28070	10.8
391.23370	11.0
392.23618	0.9
461.31549	1.0
491.32486	1.3
503.32919	0.9
521.33392	100.0
522.33667	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	521.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
57.03452	4.3
58.00593	1.2
59.01387	17.6
69.03449	0.9
69.27039	1.6
69.27466	0.9
71.01388	27.6
72.01733	0.4
72.99310	1.0
73.02953	12.2
73.34325	0.3
75.00898	0.8
83.01399	7.1
85.02959	15.9
86.00097	0.7
87.00883	2.4
87.04576	0.4
87.98968	0.3
89.02449	5.4
93.07104	4.1
95.01398	2.3
97.02943	0.5
99.00893	5.3
100.36852	0.3
101.02456	24.9
111.00889	3.9
113.02464	11.5
114.02995	0.3
119.03506	0.9
125.02454	0.7
129.01927	1.4
131.03494	0.9
131.51756	0.3
141.01991	0.5
143.03555	1.4
143.10832	1.7
149.04585	0.7
151.00374	0.4
159.03024	2.6
161.04565	7.5
161.13440	0.3
173.04565	0.5
179.05652	0.3
191.05658	0.6
227.03476	0.4
229.18095	7.7
234.67123	0.3
243.02934	1.2
244.03252	0.8
245.03589	0.5
255.03030	0.7
256.03378	0.6
257.03674	0.4
271.02399	1.4
272.02933	1.5
273.03076	1.1
299.01898	1.9
300.02362	2.6
301.02612	3.8
302.03299	1.0
305.16171	0.5
314.04318	1.2
315.04904	3.8
316.05164	4.4
317.05612	5.2
329.26993	0.4
346.65359	0.3
347.24292	0.4
359.28000	6.8
371.00742	0.3
372.98004	0.3
391.23401	16.5
392.23547	0.4
437.08405	0.4
461.31302	1.2
485.31180	0.6
491.19464	0.9
491.32489	1.4
503.19800	0.7
503.32452	1.2
521.12311	4.6
521.33368	100.0
522.33649	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	521.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23913	1.5
59.01368	4.0
59.39334	1.2
60.01083	1.2
69.27634	11.3
93.78003	1.2
98.19849	2.6
162.06779	2.3
181.15120	1.5
449.58728	1.3
521.30359	100.0
522.30804	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21542	5.8
50.98100	6.0
52.49112	6.8
55.88612	6.4
59.01392	36.2
59.94888	5.8
61.98836	11.4
63.07818	5.7
69.27312	41.9
69.27713	12.5
85.02994	6.6
95.81378	6.7
96.95943	7.9
158.64101	6.8
208.07613	6.1
317.06717	6.6
352.74164	6.6
363.80182	6.1
401.80615	6.8
448.45129	6.3
485.32941	14.1
521.29858	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	521.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28959	0.6
59.01441	3.1
61.98890	2.8
71.03931	1.4
93.51372	0.6
148.98174	0.6
152.99666	0.9
154.99312	0.6
193.93263	0.7
225.52470	0.7
290.22589	0.6
391.29938	1.3
439.32169	100.0
440.32397	8.0
485.32529	3.9
521.32446	52.8
522.32886	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	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03455	2.5
57.83927	0.3
58.00599	3.5
59.01385	95.1
60.01728	0.7
64.92545	0.3
69.03460	1.6
71.01389	81.2
71.55951	0.3
72.01715	0.7
72.99316	4.5
73.02956	13.4
73.03365	0.7
75.00909	0.5
78.95950	0.3
81.03469	0.4
83.01398	4.2
83.05015	0.4
85.02962	14.7
86.00110	1.8
87.00345	0.5
87.00884	13.0
89.02454	100.0
90.02800	0.5
93.03496	0.4
95.01408	1.4
96.96087	0.3
97.02962	2.0
99.00919	1.6
101.02457	55.9
102.02802	0.7
107.01389	0.4
109.03002	0.4
111.00908	3.3
111.04550	0.8
113.02468	15.9
114.02811	0.6
115.04020	0.7
117.03510	0.4
119.03530	8.3
122.03688	0.4
122.35281	0.3
125.02459	4.7
127.03999	0.4
129.01950	0.5
131.03523	53.6
132.03886	1.0
133.02989	0.5
135.04578	0.4
137.02469	0.4
138.06873	0.9
139.04016	0.5
143.03552	2.7
145.02956	1.7
147.04544	0.4
149.04573	69.5
150.03220	0.4
150.04948	1.0
152.82198	0.3
153.09236	1.7
161.02505	0.8
161.04552	2.8
163.04001	0.7
165.05634	0.9
173.04579	1.3
179.05615	2.2
191.05630	29.5
192.05969	0.4
215.05652	0.8
216.89864	0.4
225.14970	0.6
227.16505	3.2
230.37294	0.4
233.06616	3.9
251.07805	1.4
278.28546	0.3
293.08771	3.5
307.08200	0.6
311.09702	1.2
341.14163	0.7
347.16946	0.5
371.20798	1.2
389.21857	12.4
390.22141	0.5
521.26154	69.3
522.26538	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	521.2607
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
51.44545	0.3
53.98304	0.3
55.01881	1.6
57.03458	2.4
58.00598	3.2
59.01385	90.3
60.01725	0.5
61.98816	0.3
69.03458	1.4
71.01389	77.0
71.05039	0.5
71.56893	0.3
72.01747	0.9
72.99318	4.4
73.02956	13.7
75.00883	0.6
81.03456	0.6
83.01393	5.1
85.02957	14.5
86.00102	2.1
86.03333	0.3
87.00337	0.4
87.00884	12.6
89.02452	100.0
90.02779	0.8
93.03493	0.5
95.01377	1.6
96.96011	0.3
97.02946	1.7
99.00919	1.5
99.04533	0.3
101.02454	54.9
101.91261	0.3
102.02790	0.7
109.03008	0.4
111.00894	3.7
113.02459	17.9
115.04024	0.7
119.03511	8.9
119.04337	0.5
123.04488	0.5
125.02466	4.8
129.01962	0.6
131.03516	55.5
132.03883	0.8
133.02945	0.3
135.04593	0.5
137.02438	0.3
138.06870	0.4
139.03992	0.3
143.03519	2.8
145.02992	0.9
148.63179	0.3
149.04568	77.1
150.03194	0.5
150.04941	1.3
153.02029	0.4
153.09250	1.2
161.02443	0.5
161.04568	2.5
165.05635	0.5
166.05005	0.4
173.04570	0.5
179.05615	2.5
181.20113	0.3
191.05629	31.0
192.05965	0.8
203.05595	0.3
215.05605	0.9
227.16556	3.5
233.06693	3.7
251.07643	1.4
275.07849	0.4
281.08997	0.3
286.25815	0.3
293.08749	3.8
307.08298	0.8
311.09653	0.9
324.09375	0.3
363.57788	0.3
371.20645	1.1
389.21817	13.5
390.22296	0.6
514.49774	0.3
521.26135	69.9
522.26489	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33732	4.2
57.03449	8.0
59.01116	6.9
59.01386	100.0
69.59611	14.2
69.60023	15.4
71.01389	84.6
72.99316	4.9
73.02955	16.9
83.01378	9.4
85.02972	26.1
87.00912	7.3
89.02451	54.9
95.01364	8.2
99.00858	8.6
101.02462	49.7
103.03983	4.1
111.00919	4.7
113.02481	24.9
119.03513	18.4
125.02460	7.2
131.03532	7.2
143.03442	8.1
149.04539	16.7
161.04530	14.4
163.06136	6.8
173.04491	6.8
179.05513	4.8
191.05637	17.6
293.08737	13.2
329.19693	7.9
359.28070	8.9
378.98810	4.9
461.23880	37.4
461.30859	14.0
521.17804	7.8
521.33679	68.3
522.33453	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	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46478	1.4
54.69214	1.5
55.01879	1.8
57.03464	1.7
57.81818	1.7
58.00581	3.3
59.01386	100.0
60.75437	1.6
69.03447	4.1
69.35389	1.3
69.35720	13.6
71.01392	73.7
73.02937	7.5
83.01389	4.0
85.02970	11.6
85.88660	1.5
87.00883	4.7
89.02453	87.3
90.29122	1.5
93.03457	3.3
95.00477	1.5
97.02948	5.8
99.00893	1.7
99.04514	2.3
101.02454	26.9
105.21589	1.4
106.37183	1.6
106.71897	1.9
108.02200	2.0
109.02985	2.5
111.00866	2.6
113.02473	16.4
119.03487	6.7
125.02466	19.2
129.89485	1.9
131.03514	21.7
143.03535	1.9
147.52435	2.0
149.04575	38.8
161.04544	1.9
167.10788	93.5
191.05670	11.3
213.05513	2.4
229.17889	1.6
233.06595	4.0
293.08786	47.7
359.27780	2.7
374.22043	7.8
401.31900	1.8
455.24628	16.7
461.20050	2.0
461.31180	6.1
479.32346	3.7
511.52460	1.6
521.26953	3.2
521.33191	13.5
527.58008	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	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29165	1.5
55.01891	1.9
57.03436	3.9
58.00597	4.6
59.01384	100.0
61.98837	36.5
64.56992	1.7
69.81854	9.5
71.01389	70.6
72.99317	5.8
73.02944	15.7
75.00871	2.3
76.21152	1.4
83.01391	4.2
85.02947	14.6
87.00892	5.5
89.02451	94.2
91.00471	1.5
93.03459	2.5
96.96020	7.0
96.96955	2.1
97.02946	2.4
99.00840	7.9
101.02448	55.4
111.00922	2.9
111.04514	2.1
113.02455	15.5
119.03504	7.1
125.02459	4.0
131.03516	34.1
135.04565	12.0
143.03506	3.3
146.43477	1.6
149.04568	83.2
150.03250	1.9
161.04605	5.3
163.04012	2.6
165.05591	4.2
173.04596	3.8
173.05998	1.9
179.03485	4.3
181.12621	1.7
191.05627	28.1
197.05936	1.7
226.12413	1.7
245.51865	1.6
263.11221	2.6
297.12402	4.3
311.09830	2.8
347.17062	2.4
355.12881	4.8
389.21835	4.8
395.15485	7.8
399.12012	8.1
431.14352	6.3
444.35159	1.7
459.22360	1.7
472.89517	1.6
477.23260	2.0
521.26666	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29165	1.5
55.01891	1.9
57.03436	3.9
58.00597	4.6
59.01384	100.0
61.98837	36.5
64.56992	1.7
69.81854	9.5
71.01389	70.6
72.99317	5.8
73.02944	15.7
75.00871	2.3
76.21152	1.4
83.01391	4.2
85.02947	14.6
87.00892	5.5
89.02451	94.2
91.00471	1.5
93.03459	2.5
96.96020	7.0
96.96955	2.1
97.02946	2.4
99.00840	7.9
101.02448	55.4
111.00922	2.9
111.04514	2.1
113.02455	15.5
119.03504	7.1
125.02459	4.0
131.03516	34.1
135.04565	12.0
143.03506	3.3
146.43477	1.6
149.04568	83.2
150.03250	1.9
161.04605	5.3
163.04012	2.6
165.05591	4.2
173.04596	3.8
173.05998	1.9
179.03485	4.3
181.12621	1.7
191.05627	28.1
197.05936	1.7
226.12413	1.7
245.51865	1.6
263.11221	2.6
297.12402	4.3
311.09830	2.8
347.17062	2.4
355.12881	4.8
389.21835	4.8
395.15485	7.8
399.12012	8.1
431.14352	6.3
444.35159	1.7
459.22360	1.7
472.89517	1.6
477.23260	2.0
521.26666	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16940	1.6
55.01861	1.6
56.96296	1.4
57.03465	3.5
59.01387	99.8
61.98820	2.3
71.01389	29.5
71.56466	2.8
72.99342	2.1
73.02953	7.5
78.95916	2.1
82.95443	2.4
83.01424	3.6
85.02958	12.2
86.00112	2.6
87.00894	2.1
89.02446	17.8
95.01392	3.4
97.06577	1.8
99.00912	2.2
101.02460	21.0
111.00919	1.6
113.02443	14.8
115.54808	1.6
119.03538	5.9
120.20091	1.8
131.03539	2.9
139.31694	1.6
143.03510	2.9
159.18553	1.5
161.04559	4.2
179.05620	3.2
184.65414	1.7
315.25464	1.8
317.27188	2.1
329.19916	1.7
356.21234	1.9
359.28137	11.8
360.28104	1.6
397.21536	1.7
435.29733	2.6
461.25000	3.4
461.31390	10.8
477.27774	2.1
479.32162	3.9
521.21838	11.3
521.33441	100.0
522.33691	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.1
57.03444	6.0
58.00590	4.5
59.01387	97.8
61.98839	11.6
69.36480	5.2
69.36900	8.1
71.01390	89.5
71.01714	1.1
72.99297	4.3
73.02943	13.8
83.01385	5.3
85.02959	25.1
85.56702	1.8
87.00877	4.0
89.02455	67.8
90.73544	1.6
93.03477	2.1
93.07097	3.4
95.01417	8.1
98.19920	2.8
99.00891	4.9
101.02461	50.5
111.00916	4.1
113.02468	34.4
119.03513	23.8
121.35365	1.9
125.02407	2.2
131.03558	4.5
135.04559	3.1
143.03534	3.7
149.04604	3.0
159.03053	3.0
159.04393	2.4
160.05321	4.6
161.02492	2.5
161.04565	17.0
173.04555	5.7
175.07658	4.7
177.05643	2.7
179.05670	9.1
179.07008	1.8
191.05640	6.6
229.01550	3.1
229.18098	6.1
238.06473	2.4
239.10892	2.0
247.03004	1.6
255.10265	3.1
269.11755	2.2
283.09772	20.4
298.12079	2.5
311.09286	38.3
325.10678	3.3
326.11554	28.1
329.13864	17.4
341.13965	45.4
359.28006	9.5
391.23428	12.6
492.27930	2.7
521.27118	5.0
521.33411	100.0
522.33704	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	521.203
Annotation	(-)-Isolariciresinol 3-alpha-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.18744	1.4
55.01879	2.3
56.29021	1.4
57.03455	1.5
58.00590	1.6
59.01385	35.4
61.98815	2.5
70.60834	1.2
71.01392	23.3
72.99308	1.6
73.02947	4.7
83.01395	4.9
84.54784	1.5
85.02955	9.3
87.00883	5.0
89.02467	9.4
95.01398	2.9
95.32572	1.6
98.19778	2.6
99.00907	2.7
101.02453	14.6
107.39680	1.3
111.00888	1.8
113.02457	6.2
116.04082	1.5
119.03471	2.3
121.02943	6.2
131.03532	1.6
135.04570	3.1
136.01759	1.4
145.02948	2.9
146.03629	1.6
147.04546	1.6
149.04539	2.3
151.04008	2.2
161.02470	1.6
164.04726	2.5
174.14128	1.4
179.07144	4.6
182.02246	1.5
191.05635	4.6
197.04575	1.7
224.04739	1.9
229.53703	1.4
239.07097	1.7
240.04282	2.5
267.06564	2.9
268.07391	2.6
269.08264	6.0
270.09003	3.2
280.07495	2.0
281.08191	11.1
282.08850	5.0
283.09827	7.8
287.09976	1.6
293.08160	3.3
295.09647	3.2
296.10455	3.0
299.09329	5.0
300.10059	2.0
311.09290	5.0
312.09735	2.4
313.10889	1.7
314.08292	2.6
314.11557	10.4
315.12366	3.8
326.11633	13.3
327.12344	5.6
329.14014	11.8
340.09525	2.0
341.08826	5.1
341.13950	9.3
343.11865	2.2
355.11844	4.4
359.13943	1.9
385.15137	2.2
390.66977	1.5
461.14447	1.8
473.14365	5.6
476.16922	8.9
477.18491	1.5
488.17053	8.9
491.19308	91.6
492.19647	9.6
503.19315	100.0
504.19452	8.7
521.17560	4.5
521.26282	10.2
521.32965	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	520.2684
Annotation	Lythrancepine III
Peak:m/z	Relative Intensity
59.01376	2.7
60.42654	1.1
60.99305	1.6
61.98836	88.2
69.19365	11.9
72.20930	1.1
75.33337	1.1
82.65662	1.0
125.73520	1.1
134.20479	1.1
135.00186	1.0
135.52542	1.2
135.53477	1.1
175.78940	1.2
219.38994	1.2
343.46152	1.2
389.28723	3.8
405.27905	2.0
423.29080	9.5
457.36041	1.9
476.27933	1.6
520.26813	100.0
521.27045	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	520.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71607	0.9
61.98832	100.0
69.36208	7.3
85.88277	1.1
268.70358	1.2
303.49585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	78.6
61.98833	58.7
71.01390	57.9
72.99303	11.2
73.02985	11.4
78.95904	27.7
85.02946	14.4
88.98797	20.4
89.02452	74.9
96.96029	61.7
96.96966	22.5
97.02956	13.2
98.19949	21.8
99.00854	18.3
101.02441	23.0
104.06417	6.8
111.00843	7.3
119.04979	6.9
125.02421	37.9
137.02425	30.9
138.02008	37.6
149.04506	12.3
152.04778	34.1
167.07140	18.4
173.04651	9.2
175.86978	7.9
191.05574	33.5
229.36070	9.3
233.06613	36.7
265.81396	7.5
293.08780	100.0
473.88181	8.3
521.16125	9.1
522.18878	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	520.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15017	1.1
55.01870	1.9
56.17671	1.1
57.03434	3.2
59.01384	71.8
60.01709	1.7
61.98836	100.0
62.73829	1.1
69.03475	1.2
71.01391	32.9
72.99315	2.4
73.02953	19.2
78.95879	1.2
78.98601	1.7
83.01405	4.7
85.02967	11.3
87.00882	2.3
89.02452	14.9
93.03484	1.4
95.01382	1.5
96.96017	3.4
96.96973	2.7
98.19894	3.5
99.00895	2.3
101.02453	27.9
101.06112	1.1
113.02469	14.4
117.05595	1.7
119.03535	6.4
119.04951	1.2
130.01096	1.3
131.03497	3.4
143.03455	2.4
149.04565	6.3
161.02486	1.3
161.04588	8.2
173.04546	2.3
179.03705	1.1
179.05588	2.7
180.07964	2.0
181.08278	1.0
191.05632	3.7
195.10414	1.5
203.65321	1.0
218.82700	1.1
221.06815	1.3
229.18126	2.2
241.94330	1.2
303.78244	1.1
346.26678	1.3
359.27991	9.3
389.21991	1.6
391.23401	1.7
400.24271	1.2
461.31088	1.4
520.32288	2.3
521.26459	3.5
521.33472	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19847	0.5
59.01385	100.0
61.98834	1.2
71.55385	0.5
71.55749	0.8
78.95947	0.7
144.95100	0.7
170.73537	0.6
441.34262	0.7
459.34283	0.6
519.36395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61266	1.0
59.01385	100.0
60.09488	1.0
61.98824	2.6
71.55424	1.6
73.82494	1.0
78.95911	12.5
90.48069	1.2
96.96913	2.6
103.03588	1.1
109.43703	1.1
145.61476	1.0
152.98387	1.8
152.99603	26.2
279.07092	1.2
328.86649	1.2
459.35178	1.9
475.33713	1.7
519.26312	2.1
519.33423	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	519.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98843	1.6
65.10419	0.8
68.23159	0.7
69.96327	3.6
74.30929	0.7
82.16343	0.7
88.37925	0.7
92.51765	0.7
98.19924	0.8
142.42101	0.8
152.99567	0.8
176.01141	0.8
187.53549	0.8
346.64676	0.7
348.16870	0.9
378.75827	0.9
415.96329	0.8
475.34164	0.8
485.38196	1.0
519.33093	4.3
541.22815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01384	64.7
60.01711	0.8
61.98835	100.0
71.01386	11.3
71.56044	0.7
73.02937	4.1
83.01404	1.8
85.02952	4.1
86.15028	0.7
87.00889	0.8
88.98839	0.8
89.02471	4.6
93.03423	0.8
95.01421	0.9
96.96031	0.9
97.02947	0.7
99.00922	1.0
101.02452	7.7
107.66766	0.7
113.02466	4.6
119.03513	1.7
136.01698	0.8
136.24211	0.6
151.04045	1.0
161.04626	3.0
173.04572	1.3
173.61047	0.6
179.05646	0.7
191.05592	0.8
209.15573	1.3
229.18112	1.4
256.35382	0.6
260.15179	0.7
297.48172	0.7
312.45508	0.6
359.28055	1.9
371.20795	3.0
413.21695	2.9
485.11435	1.5
520.32678	0.9
521.33472	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26776	0.6
59.01386	100.0
61.98839	3.5
69.03520	0.7
69.39262	1.6
69.39664	5.4
70.37181	0.7
70.56221	0.6
71.73713	0.7
78.87630	0.7
87.93438	0.7
110.37020	0.7
152.99590	0.9
459.35022	2.3
483.31430	2.6
519.33453	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	519.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27187	1.3
59.01385	100.0
60.68404	1.2
61.98838	2.7
62.99294	1.2
73.09022	1.3
121.57542	1.4
185.17743	1.5
274.82202	1.2
276.66791	1.3
452.10156	1.5
519.36694	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	519.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49551	2.5
58.00570	3.6
59.01385	100.0
61.98820	8.9
63.86365	2.4
74.52267	2.7
77.84888	2.2
90.17641	2.4
332.48651	2.4
333.73096	2.6
441.33841	7.9
459.34946	29.3
478.21420	2.8
519.32703	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	519.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06051	0.6
56.19371	0.6
59.01385	100.0
60.01711	0.7
61.98838	1.8
69.90462	1.2
69.90877	2.4
71.05049	0.7
80.66718	0.6
87.04695	0.7
93.87466	0.7
96.96075	0.6
109.55215	0.6
112.44397	0.6
115.63548	0.7
141.86832	0.6
152.99660	1.0
221.15472	1.0
239.16435	3.5
279.16284	2.8
364.97360	0.8
405.28781	0.6
439.32468	0.7
459.34912	4.6
483.31744	3.0
519.33130	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	519.3093
Annotation	Ochrocarpinone B
Peak:m/z	Relative Intensity
50.42929	1.7
56.47494	1.7
59.01391	21.1
60.99299	7.6
61.98847	11.2
69.35142	13.5
98.96977	1.7
191.14505	8.8
273.18591	4.4
274.25345	1.7
324.71347	2.0
356.43552	1.9
359.23868	5.3
375.26791	2.5
391.30142	43.4
392.30283	3.8
423.28958	2.5
425.30637	91.6
426.30914	9.2
443.31750	2.9
459.34961	2.3
469.29617	16.6
470.30069	1.9
504.62122	2.3
519.30933	100.0
520.31323	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	519.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76411	0.5
56.49863	0.5
59.01423	1.2
60.48690	0.6
61.77398	0.6
61.98893	2.1
69.31782	3.2
69.32190	1.4
78.51738	0.5
129.96100	0.5
135.22705	0.5
178.61234	0.6
198.39139	0.7
229.80466	0.8
391.30078	0.9
437.30624	100.0
438.31000	8.6
519.30884	41.3
520.31061	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	519.3177
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01897	2.5
57.03434	3.6
59.01387	25.7
61.98828	3.1
69.36512	3.6
69.36955	4.3
71.01389	38.7
71.05064	1.1
72.99320	1.8
73.02953	12.8
74.74551	1.0
80.91690	1.7
83.01402	3.3
85.02954	16.1
87.00879	2.8
89.02436	7.9
95.01404	2.2
97.02959	1.0
99.00893	4.5
101.02448	24.4
111.04578	0.8
113.02466	15.5
119.03518	2.1
123.08188	1.9
127.11230	1.1
143.03510	1.3
159.03029	4.2
161.04587	11.2
191.05649	1.2
199.13393	1.2
214.06430	1.2
227.16521	1.9
235.19690	0.9
277.82489	1.0
279.23395	1.0
313.27634	6.9
327.25421	2.1
339.25497	3.2
357.26563	8.6
501.31070	1.4
519.31824	100.0
520.32361	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	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04532	0.5
58.72409	0.5
59.01385	100.0
60.01719	0.7
71.01391	7.1
73.02960	2.1
74.32065	0.4
83.01436	0.8
85.02943	3.0
87.00921	0.7
87.04527	0.7
89.02459	3.4
95.01433	0.5
99.00913	0.7
101.02451	5.5
101.06132	1.1
106.05004	0.5
113.02467	3.8
114.30479	0.5
119.03535	1.4
133.48929	0.6
151.49115	0.5
158.16083	0.5
161.04622	1.6
179.05644	0.7
290.91290	0.4
297.20782	0.8
315.08746	1.1
324.12317	0.5
381.23309	0.8
399.23853	11.0
417.24942	11.5
459.26340	2.4
519.32324	0.9
538.31482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03463	1.1
58.00606	0.7
59.01384	100.0
63.93303	0.7
71.01388	12.5
72.99303	1.0
73.02952	3.9
77.30603	0.8
83.01407	2.8
85.02952	5.5
89.02438	7.7
89.03278	0.7
95.01398	1.2
99.00882	1.2
101.02452	8.6
101.06107	1.0
113.02460	6.4
114.47629	0.8
118.17030	0.7
119.03538	2.6
123.08248	0.9
131.03560	1.0
139.49805	0.8
161.04626	4.3
173.82359	0.7
179.05693	1.3
205.12784	0.7
209.29959	0.7
345.26529	1.8
357.26544	3.0
376.37778	0.8
381.22876	0.9
399.19092	1.5
399.23871	12.2
417.24951	10.5
459.25876	1.5
482.79745	0.8
501.30750	1.2
519.31683	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	519.2448
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
52.23522	0.3
55.01883	1.7
57.03450	3.9
58.00609	2.5
59.01383	59.3
69.03453	2.3
69.53873	2.8
71.01385	64.6
71.05022	1.5
71.64188	0.4
72.01718	0.8
72.99303	2.9
73.02947	10.6
74.47044	0.4
75.00869	0.4
81.03452	1.9
81.78902	0.4
83.01392	5.1
85.02957	13.8
86.00117	0.5
87.00887	4.5
87.04543	0.5
89.02448	63.3
90.02769	0.5
95.01402	1.6
95.05040	1.3
97.02949	5.4
98.19897	0.7
99.00892	3.3
101.02448	31.0
109.06597	1.3
111.00883	6.1
111.04527	1.3
113.02457	13.1
113.06091	0.6
115.03997	1.4
119.03502	3.8
119.17828	0.4
123.08169	1.5
125.02459	9.0
125.03340	0.7
127.03998	0.6
129.01961	0.5
131.03510	21.3
132.03775	0.5
135.08186	0.7
136.05295	0.6
137.02434	0.6
137.06061	0.9
137.09750	1.5
138.06876	17.7
139.04002	0.5
139.07312	0.5
143.03493	3.9
149.04559	25.9
150.06813	0.8
151.07648	0.6
153.09212	48.2
154.09549	1.0
159.02969	1.0
161.04555	7.5
163.11333	0.7
165.12813	0.5
172.62550	0.4
173.04555	1.2
177.02003	0.5
179.03490	0.5
179.05621	0.6
191.05623	8.6
207.13908	5.5
215.05693	0.5
225.14961	46.9
226.15291	1.2
233.06651	6.0
293.08786	8.3
294.09027	0.6
301.45834	0.4
302.54205	0.4
369.19186	1.6
387.20233	12.8
388.20496	0.9
519.24451	100.0
520.24908	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	519.1875
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.98718	0.6
54.74328	0.5
57.03451	0.7
59.01396	3.8
69.29576	1.6
69.29984	2.8
71.01400	5.8
73.02966	1.6
74.81823	0.5
83.01424	0.6
85.02956	2.6
87.00918	0.6
87.44965	0.6
89.02463	1.8
93.03490	1.4
101.02457	3.0
108.02177	1.3
109.02976	0.6
113.02472	2.4
121.02986	4.3
122.03727	3.0
124.01719	0.6
134.03702	0.7
135.04575	0.7
136.01675	71.3
137.02422	2.1
142.18225	0.6
149.04602	0.6
151.04024	100.0
152.04375	2.2
159.03076	0.8
160.05289	1.9
161.02498	0.8
161.04591	2.0
162.03230	0.8
163.04073	1.7
167.45357	0.6
173.04552	1.4
175.07623	1.8
177.05661	1.4
179.03554	1.2
189.05573	1.1
191.05670	1.6
311.13208	0.6
342.11118	4.9
357.13449	93.1
358.13867	4.6
496.06061	0.6
519.23663	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
56.90757	0.6
57.03462	4.2
58.00604	3.4
59.01385	80.5
60.99279	0.7
61.98826	2.0
69.03458	2.1
71.01388	83.6
71.54934	0.8
72.99313	4.6
73.02959	12.2
74.99090	0.8
75.00868	0.9
78.91896	0.9
78.95910	1.1
81.03484	1.2
82.30257	0.8
83.01403	4.4
83.05027	0.8
85.02958	15.8
85.06643	0.8
86.00143	1.3
87.00882	8.3
89.02454	100.0
90.02782	1.4
93.03463	2.8
95.01395	2.4
96.96014	3.0
96.96942	1.3
97.02957	4.6
99.00890	3.4
99.04515	0.8
101.02451	47.5
105.21282	0.9
109.02972	0.7
111.00894	2.5
111.04519	0.7
113.02462	18.5
115.03950	1.0
116.92895	1.1
119.03533	5.9
119.05031	3.5
121.02954	1.5
123.08216	0.8
125.02469	8.8
131.03516	43.3
133.02994	0.9
134.03687	1.0
135.04547	1.9
136.01669	3.1
137.02429	1.3
137.09706	2.3
143.03514	2.8
149.04570	80.6
150.04904	0.8
151.03979	4.6
151.07735	0.8
153.09221	1.1
155.03459	1.0
159.03040	0.9
161.04547	5.5
163.04083	1.5
165.01936	1.6
171.11711	0.8
173.04555	5.3
173.09627	0.7
177.01984	2.8
177.09312	0.9
179.05710	0.9
179.07120	1.3
180.07838	1.0
189.12869	8.4
191.05626	21.9
193.05141	0.9
195.10255	0.9
195.13956	1.0
205.12289	1.1
207.13916	23.4
207.15887	1.3
225.14990	1.6
226.06337	1.5
233.06670	2.3
239.09470	1.0
241.08691	1.3
251.07600	0.8
253.08928	2.6
254.09497	5.3
269.11948	1.6
293.08716	9.6
311.09906	1.9
313.10922	1.0
350.22461	0.7
357.09726	2.2
357.13562	4.9
387.20227	4.1
403.14767	1.0
496.69263	0.7
519.15173	3.7
519.24536	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	519.1512
Annotation	Lethedoside B
Peak:m/z	Relative Intensity
54.48587	0.5
59.01390	2.9
59.39275	0.5
61.98821	1.5
65.77010	0.5
69.54089	3.3
71.01385	3.8
73.86359	0.6
78.95904	0.6
80.94281	0.5
85.02946	0.9
89.02435	2.0
93.03480	4.2
93.29337	0.7
96.96025	1.1
96.99310	1.8
101.02435	1.0
101.35885	0.5
108.02172	2.5
109.02979	0.7
110.25109	0.6
115.00368	2.1
116.92824	0.8
117.03486	0.8
119.03465	0.7
119.05038	8.5
121.02993	0.7
122.03713	0.8
123.04522	1.8
130.04263	1.2
131.05011	1.5
132.02187	0.7
133.02928	1.7
134.03763	4.8
135.04504	1.3
143.05038	1.1
145.02943	2.5
145.06586	1.4
146.03722	2.8
147.04533	5.7
148.05339	5.4
149.06073	1.6
158.03661	1.3
159.04466	2.8
160.05359	0.6
161.04654	0.6
161.06096	2.3
163.04004	5.5
171.04518	2.2
173.04665	0.6
175.03961	0.9
176.88228	0.6
177.05576	1.0
178.02715	1.3
182.02461	0.5
189.05588	1.3
191.05591	1.8
193.05084	2.3
197.05949	0.8
201.37193	0.7
207.06660	1.8
223.07697	1.2
225.05557	2.7
226.06363	14.5
235.07677	2.0
238.06468	2.1
239.07094	0.8
240.07890	2.5
241.08740	7.4
250.06369	2.1
251.07156	8.0
252.07909	16.9
253.08698	9.7
254.09496	7.6
265.08783	1.1
267.10526	16.2
268.10904	1.7
269.08398	0.8
269.11807	4.4
279.06680	6.0
280.07410	4.9
283.09787	2.3
294.08969	2.5
295.09775	8.3
323.05573	1.7
338.07898	1.2
339.08652	1.8
357.09818	1.0
397.87665	0.6
403.14133	1.4
501.14508	0.8
519.15094	100.0
520.15411	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	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01736	1.0
59.01109	1.6
59.01384	22.4
62.27086	0.8
66.98024	0.8
69.03458	0.9
71.01389	25.3
72.99308	1.3
73.02950	3.3
75.11671	0.9
78.95943	1.1
83.01390	1.1
85.02958	3.9
87.00868	1.7
89.02450	20.6
93.03480	2.9
95.01495	1.0
101.02460	13.3
109.02973	2.3
111.00913	1.3
113.02448	5.8
115.00403	9.2
119.03529	2.0
119.05054	6.2
121.02957	1.5
123.08175	2.1
124.01669	4.9
125.02459	2.5
131.03519	8.0
131.05057	1.0
131.07152	2.7
132.05849	2.7
133.02950	6.8
134.03781	1.3
137.02394	0.9
137.09756	1.6
143.03593	1.2
143.05023	1.4
145.02954	1.1
146.03738	4.0
147.04518	7.3
148.05360	1.6
149.04573	14.1
152.08473	0.9
161.04593	2.6
161.06084	7.7
163.04012	3.0
163.11282	1.2
173.04623	1.0
177.02014	0.9
178.02777	1.6
186.66089	1.0
189.12891	3.5
191.05597	4.9
197.06129	2.0
205.12263	1.2
207.00700	1.0
207.13911	4.8
215.60007	0.9
225.05577	5.8
226.06377	38.9
227.06789	2.0
238.06322	1.0
239.07162	2.6
241.08737	16.6
251.07111	3.3
252.07896	3.9
253.08711	25.2
254.09494	100.0
255.09932	4.6
268.07645	1.4
269.11841	31.4
270.12271	1.1
279.06726	1.5
280.07349	4.4
283.09775	2.1
293.08862	1.7
301.10672	4.7
313.10794	7.4
324.06854	1.4
330.34229	1.0
333.87952	1.2
357.09930	8.4
370.28406	0.9
388.11621	1.6
503.53183	1.0
519.15131	99.8
519.24133	10.7
520.15424	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	518.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71792	2.2
58.92309	2.2
61.78615	2.3
61.98837	100.0
62.24430	2.0
81.32386	2.0
84.40340	1.9
117.87489	2.3
229.11989	3.6
236.55446	2.2
336.81711	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	518.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11093	0.5
57.70838	0.4
59.01380	0.7
60.55112	0.4
61.98838	100.0
68.45322	0.4
71.00719	0.7
81.85294	0.4
140.23407	0.4
148.78802	0.4
260.29892	0.4
264.80057	0.4
390.28848	0.8
406.20895	0.4
407.96317	0.4
412.01620	0.4
424.29572	1.7
454.71198	0.4
455.35345	53.3
456.35675	4.3
503.67297	0.4
518.29694	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1161
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.54928	0.3
58.00564	0.3
59.01379	0.9
65.00326	0.5
71.01379	0.6
83.01394	0.6
99.11278	0.3
101.02438	0.5
101.04002	0.5
107.01408	1.3
108.02203	0.3
112.90429	0.3
113.02460	0.4
143.05070	0.5
145.02940	1.1
151.00380	5.2
151.04005	0.4
155.05025	1.0
157.03061	0.4
163.00345	0.6
167.04990	0.6
169.02870	0.3
171.04512	1.2
175.03990	0.4
183.04527	2.9
185.02403	0.5
187.03984	1.4
191.05325	0.4
196.09314	0.3
199.04013	7.5
200.04298	0.4
201.01997	0.5
203.03510	0.7
211.04057	0.9
215.03482	2.8
226.02678	0.5
227.03510	7.1
228.03947	0.5
242.02232	2.0
243.02989	25.7
244.03532	1.8
254.02202	1.0
255.02997	16.9
256.03397	0.7
257.04596	2.2
259.05954	0.5
270.01746	1.9
271.02487	39.4
272.03061	3.3
285.04092	3.1
286.04810	1.1
287.05627	1.4
299.01990	73.6
300.02734	26.7
301.03128	1.0
313.03738	0.5
314.04355	52.2
315.05115	100.0
316.05478	4.4
357.06140	0.7
519.11469	41.3
520.11865	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	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01727	0.8
61.98843	1.9
71.03741	1.3
111.68877	0.5
113.73593	0.5
114.74313	0.5
158.61671	0.6
205.16019	0.7
275.20401	0.5
281.17740	1.2
383.29947	0.8
473.32806	1.0
517.31213	10.0
518.32501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35902	1.0
59.01386	60.2
60.01699	1.2
61.98837	100.0
64.77841	1.0
71.01392	17.8
71.55322	1.7
73.02950	16.0
73.89776	1.0
74.36085	1.0
78.95909	1.4
83.01394	5.0
85.02966	4.7
87.00878	1.2
89.02451	7.7
93.03471	1.5
96.96008	4.7
96.96974	2.4
99.00938	1.7
99.04546	2.5
101.02450	19.3
113.02464	9.1
115.92055	1.5
116.92876	3.8
117.89902	0.9
117.92883	2.7
119.03503	2.5
125.02502	1.6
131.03493	2.4
135.04558	1.4
136.01656	7.2
137.09756	3.2
141.09277	1.6
143.03546	2.4
149.04582	4.2
151.04019	12.2
161.02371	1.2
161.04538	6.9
162.03200	1.1
168.97093	1.0
173.04655	1.3
174.30731	1.0
177.05609	2.4
183.47424	1.1
191.05586	2.5
204.09349	1.1
221.06581	1.6
257.72284	1.3
299.02206	1.4
316.89563	1.1
357.13400	7.7
357.26956	1.4
417.88287	1.2
518.11169	1.4
518.34662	1.5
519.11273	1.6
519.24463	1.7
519.31641	9.3
529.59583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01075	1.0
59.01384	46.1
61.98836	100.0
66.69116	0.9
68.10550	0.8
68.69415	0.9
69.48165	5.9
69.48582	1.5
71.01392	19.6
72.99303	1.0
73.02949	24.5
83.01406	6.6
85.02970	1.7
87.00868	1.2
89.02454	6.3
95.01392	1.5
98.20671	1.7
99.04574	1.2
101.02451	20.0
102.02853	0.9
113.02466	7.8
119.03465	1.8
125.02462	2.7
131.03511	3.4
140.52649	1.0
143.03534	2.8
148.57397	0.9
149.04587	3.3
161.04561	8.2
189.12840	5.3
221.06645	1.5
222.75595	0.9
257.42413	1.3
271.02316	1.2
299.01947	2.7
300.03308	0.9
314.04388	1.6
315.05161	3.9
357.13528	1.0
358.60086	1.1
403.73148	1.1
467.20206	0.9
519.11420	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	517.3538
Annotation	Agosterol C
Peak:m/z	Relative Intensity
59.01386	39.8
61.98835	4.9
71.56367	1.7
74.18732	1.1
75.97706	1.3
106.02544	1.2
152.99623	2.7
417.95929	1.3
427.35825	4.6
455.35443	13.0
457.33267	29.4
458.33621	2.0
459.35080	4.0
481.29559	1.7
517.35602	100.0
518.35992	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	517.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01385	100.0
61.98827	2.6
63.67674	1.0
66.36069	1.2
70.76752	2.7
79.40585	1.0
80.19655	1.1
80.82684	0.9
81.96277	1.0
157.58821	1.1
205.15990	2.6
242.37634	1.1
409.31100	1.1
439.32104	3.0
457.33548	2.2
471.34628	4.0
473.32394	5.3
517.31116	27.1
518.31531	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	517.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70650	1.2
59.01385	100.0
61.98836	5.4
69.66184	4.3
69.66585	3.6
78.95908	2.3
81.04433	1.1
87.58784	1.1
99.00904	1.2
125.02419	1.3
129.91708	1.3
133.48413	1.2
138.11320	1.3
152.99567	3.0
155.27477	1.3
163.22911	1.2
354.61484	1.4
453.63818	1.7
517.35748	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	517.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04377	0.8
59.01387	100.0
61.98838	2.5
63.69396	0.9
70.40341	0.7
71.26139	1.8
205.15999	1.1
291.52814	0.9
317.38867	0.8
457.33411	1.6
517.31012	1.5
517.35510	3.2
527.03894	1.2
531.29205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2938
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
59.01388	23.5
60.99300	7.2
61.98846	7.2
62.68591	1.7
71.40687	1.6
82.28247	1.4
96.40923	1.5
102.14285	1.7
146.32603	1.3
147.37917	1.4
191.14439	6.0
227.44421	1.4
271.17072	3.7
389.28561	28.7
390.28757	2.8
405.27838	9.1
423.29074	65.0
424.29321	4.8
435.29321	5.0
441.30716	1.9
449.27029	2.2
455.35327	2.7
467.28015	11.2
485.29132	1.5
517.29352	100.0
518.29968	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00603	2.3
59.01385	100.0
61.98834	2.0
69.03465	4.3
69.67033	6.3
69.67446	4.0
71.01390	70.4
72.99328	3.0
73.02961	7.7
73.20623	1.7
81.03459	3.1
83.01398	4.4
85.02956	8.8
87.00868	4.5
89.02453	78.6
96.96011	1.9
97.02953	5.3
99.00887	3.0
101.02458	15.9
111.00883	3.6
113.02451	9.6
115.04017	1.5
117.79133	1.4
119.03514	4.8
125.02465	17.9
131.03523	19.4
135.04552	2.3
142.22789	1.5
143.03476	2.1
148.05324	29.9
149.04558	29.2
151.51219	1.5
161.04515	2.8
163.07686	11.7
173.04547	6.1
179.03429	1.6
179.07166	2.2
185.09026	1.6
191.05644	12.5
213.60498	1.6
224.79156	1.5
233.06645	4.4
293.08810	42.0
294.09207	2.2
332.89655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03444	2.3
58.00604	2.9
59.01384	94.6
69.03455	2.2
69.29825	11.1
71.01388	84.6
72.99303	3.2
73.02949	12.8
83.01389	4.8
83.05026	1.7
85.02956	13.2
85.06569	2.1
86.00136	1.4
87.00887	9.5
89.02454	100.0
90.02781	1.3
97.02948	5.9
98.20596	3.1
99.00874	1.8
101.01801	2.4
101.02450	42.3
111.00877	3.8
113.02454	18.0
119.03486	5.2
119.04237	1.3
125.02463	12.6
131.03519	46.0
131.07164	8.0
134.03748	2.7
138.06873	9.4
139.04002	1.5
139.07657	3.6
143.03471	2.1
149.03377	2.6
149.04576	53.6
151.07658	7.9
152.08443	27.4
153.09227	35.6
154.09563	1.5
161.04489	2.3
163.11269	4.8
190.09883	1.9
191.05650	24.9
193.05022	5.5
205.12360	52.1
223.13438	4.8
233.06723	3.9
293.08841	10.9
385.18726	4.2
428.93005	1.3
517.22876	80.2
518.23303	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	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00603	2.3
59.01385	100.0
61.98834	2.0
69.03465	4.3
69.67033	6.3
69.67446	4.0
71.01390	70.4
72.99328	3.0
73.02961	7.7
73.20623	1.7
81.03459	3.1
83.01398	4.4
85.02956	8.8
87.00868	4.5
89.02453	78.6
96.96011	1.9
97.02953	5.3
99.00887	3.0
101.02458	15.9
111.00883	3.6
113.02451	9.6
115.04017	1.5
117.79133	1.4
119.03514	4.8
125.02465	17.9
131.03523	19.4
135.04552	2.3
142.22789	1.5
143.03476	2.1
148.05324	29.9
149.04558	29.2
151.51219	1.5
161.04515	2.8
163.07686	11.7
173.04547	6.1
179.03429	1.6
179.07166	2.2
185.09026	1.6
191.05644	12.5
213.60498	1.6
224.79156	1.5
233.06645	4.4
293.08810	42.0
294.09207	2.2
332.89655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	14.9
61.98824	2.5
71.01377	10.2
71.03413	2.3
73.02936	1.4
77.21067	0.9
84.00996	1.0
85.02945	2.4
85.31871	1.0
87.00860	1.3
89.02452	31.3
93.03452	1.7
96.96019	1.7
101.02441	3.2
113.02467	2.9
119.04980	1.0
131.03500	2.9
133.05070	6.3
135.04456	1.3
146.03751	30.6
149.04555	3.1
161.04744	1.7
161.06073	11.0
164.03500	1.9
164.04799	24.8
173.04564	1.1
177.01913	1.1
179.07150	100.0
180.07489	3.3
191.05630	7.9
209.08228	1.3
233.06622	1.3
234.02010	1.1
241.78999	1.0
265.07043	1.1
293.08795	1.3
314.70889	1.1
517.21082	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	517.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
61.98819	3.2
63.06939	2.0
66.18972	2.6
67.48370	2.4
68.41241	3.0
70.00672	9.7
71.01401	3.4
76.39715	2.6
78.95895	3.3
84.95119	8.7
93.03489	2.7
96.96034	13.1
96.96986	5.8
123.00922	2.5
124.01643	7.0
135.04460	3.1
151.03952	2.4
152.01160	37.8
169.05142	3.3
173.04546	6.8
178.99837	11.3
179.03545	2.8
189.05591	3.9
191.05594	4.0
208.00156	32.3
209.00751	3.4
213.05550	7.3
223.33701	2.6
241.05081	39.8
242.05534	2.9
256.07370	34.4
271.09760	100.0
272.10089	5.7
319.08130	3.3
319.11865	64.4
319.62048	2.3
320.12195	3.3
481.17386	5.5
507.21036	2.7
517.11963	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
58.00600	4.6
59.01382	87.6
61.98836	1.5
62.27093	1.0
63.05252	1.2
67.42365	1.2
69.03468	3.5
69.23086	12.2
71.01387	82.4
72.99321	4.8
73.02946	14.5
75.00872	5.8
78.95899	2.1
81.03461	2.3
83.01390	4.4
83.05049	1.9
85.02947	14.9
87.00881	10.8
89.02450	100.0
93.03449	3.2
95.01395	1.4
96.96037	5.9
96.96971	3.8
97.02970	6.4
99.00897	4.5
99.04585	1.5
101.02446	38.9
109.02944	1.9
109.06652	1.6
111.00905	3.8
113.02465	17.1
113.06053	1.2
115.04034	1.7
119.03521	5.6
123.08164	1.4
125.02457	15.3
125.06162	1.2
127.03973	1.8
131.03508	41.3
132.02217	1.6
134.03755	2.6
135.04549	2.3
136.05385	2.0
138.06898	9.9
139.07674	3.1
143.03522	3.4
148.05280	1.5
149.04565	46.9
151.07668	7.9
152.08441	27.8
153.09219	32.0
160.01721	6.8
161.04532	2.9
163.11295	5.3
173.04610	3.0
175.04018	15.2
177.05580	1.8
179.07143	3.0
190.10019	2.3
191.05629	28.2
193.05095	3.8
205.12334	52.2
206.12579	2.1
211.25304	1.5
223.13522	3.7
233.06641	6.6
239.12875	1.5
253.06380	1.5
265.07129	1.8
293.08804	17.0
337.09268	2.7
385.18747	4.1
458.69345	1.3
473.15698	1.6
517.16211	2.2
517.22998	62.5
518.23236	3.0
539.59711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49554	2.4
60.25060	2.3
61.98835	100.0
62.72861	2.6
98.20749	5.7
105.13445	2.5
108.01650	2.4
224.96674	2.4
244.33932	2.9
267.26978	5.8
409.36838	4.1
413.65460	3.0
453.35846	20.9
498.56543	2.6
518.49445	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	517.1203
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
50.33700	0.7
65.00337	0.7
66.39442	0.7
69.41282	0.9
69.41683	5.2
71.01356	0.9
84.62502	0.7
95.01379	0.9
96.96026	1.7
109.11856	0.7
111.00873	1.5
123.00884	3.0
124.01671	8.1
125.02438	2.0
133.72311	0.7
137.02475	1.5
139.00386	2.3
151.00372	4.9
152.01167	59.7
153.01598	1.5
154.73035	0.8
163.00362	1.9
165.01956	1.3
167.94994	0.7
178.99864	17.8
179.01344	1.5
180.00587	1.4
191.05687	0.7
193.01389	1.7
195.03008	0.8
207.02972	1.8
208.00140	47.1
209.00861	5.2
271.09674	1.3
517.12012	100.0
518.12543	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	515.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34276	1.2
57.55357	1.4
59.01385	100.0
60.79174	1.1
61.98830	2.9
65.44293	1.2
75.00880	1.6
78.95904	2.5
98.20776	1.9
119.87943	1.1
133.55301	1.2
135.04536	2.3
152.99608	3.1
153.37395	1.3
173.04582	1.3
179.03532	3.1
189.49863	1.3
191.05649	3.4
206.16228	1.4
332.58344	1.3
353.08807	3.2
409.30923	1.6
427.35895	1.3
471.30273	2.3
515.29840	6.2
515.35516	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	515.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59662	0.4
55.67792	0.4
58.31031	0.4
58.80483	0.4
59.01369	0.7
61.50407	0.4
61.98822	0.5
71.46342	0.9
83.01395	0.5
106.04240	0.7
107.05014	0.9
163.11301	33.4
164.11560	0.8
175.11256	1.7
176.12030	1.1
177.12828	2.7
190.09991	0.9
201.13011	0.6
207.10175	0.5
208.11107	3.2
267.13992	0.6
281.15475	1.6
282.16211	4.4
283.17020	6.7
293.15503	1.6
336.74252	0.5
339.23282	100.0
340.23605	6.3
351.23300	6.2
400.95831	0.5
450.06638	0.4
515.35333	77.0
516.35742	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	515.2997
Annotation	Probucol
Peak:m/z	Relative Intensity
57.03426	8.4
59.01386	100.0
61.98831	19.4
71.01386	26.2
73.02940	9.3
75.00864	5.1
83.01388	4.7
83.05019	6.3
84.86609	4.1
85.02949	10.8
86.94319	4.5
89.02440	18.6
93.03458	18.5
95.01420	5.3
96.96021	7.3
97.06578	4.6
99.00917	3.6
99.04508	12.9
101.02451	18.4
101.03027	3.7
109.02937	4.3
111.04519	7.4
113.02448	13.0
116.92870	5.1
119.03563	6.7
121.02885	4.7
125.02424	7.6
128.69620	3.8
134.03763	4.5
135.04538	38.6
135.08147	4.8
137.36153	4.5
141.01659	4.7
141.09169	8.4
149.04507	4.5
151.07619	10.2
161.02411	8.0
161.04523	6.1
164.27345	4.1
171.72011	3.8
173.04558	46.5
179.03516	42.8
190.96683	8.1
191.05614	53.0
345.22852	5.3
353.08740	55.7
355.44641	4.0
459.91959	4.3
479.31827	5.0
497.31500	6.0
515.30487	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3382
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
50.43731	0.9
59.01384	100.0
60.01725	0.9
61.98832	1.0
69.71986	2.9
69.72392	1.9
71.05037	1.9
75.00889	1.2
82.76304	0.8
94.26078	1.1
100.11244	0.8
111.04539	2.3
135.04532	1.3
148.98109	0.9
153.52493	0.8
173.04518	1.4
179.03564	1.9
191.05640	1.1
205.15987	1.2
225.90816	0.8
343.26196	1.5
353.08875	1.7
359.29428	1.5
407.33234	1.9
411.32675	2.9
427.35690	2.6
439.32617	1.2
453.33792	1.4
455.31531	1.1
471.29135	0.9
471.34973	15.2
472.35172	1.9
478.85077	0.8
492.75793	0.9
497.32867	1.5
515.33875	90.3
516.34448	8.2
521.07062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58864	1.4
57.03447	4.2
57.51441	1.5
59.01120	2.8
59.01386	41.3
60.61379	1.6
61.98836	14.0
67.01881	4.4
69.03459	2.5
70.66832	2.7
70.67173	2.1
71.01393	13.6
73.02944	7.0
78.95902	3.7
85.02975	11.7
87.00867	3.9
89.02462	11.4
92.14896	1.5
93.03471	24.1
96.96027	8.8
96.96970	5.5
99.04535	2.4
101.02441	7.2
109.02939	2.6
111.00896	2.0
111.04515	7.4
113.02473	4.6
119.03555	2.6
119.05004	1.6
123.08209	2.3
125.02493	1.8
133.02954	3.1
135.04547	60.4
135.08138	6.3
135.15089	1.5
137.02498	7.8
141.09242	1.5
147.23320	1.6
149.04561	6.3
151.07642	6.1
155.03458	3.5
161.02463	7.2
163.03969	2.5
173.04579	93.1
173.06015	5.5
174.04924	2.1
177.05580	22.1
179.03523	62.1
180.03941	2.2
191.03757	3.7
191.05629	59.7
196.64845	1.7
201.05542	2.6
207.09988	1.6
219.06656	14.9
220.05484	1.7
220.07426	19.6
335.07813	2.6
345.22986	1.9
353.08786	100.0
354.09048	5.8
382.12463	3.4
479.30957	2.1
497.31018	8.4
515.11938	3.8
515.31049	36.7
516.30835	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	515.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36063	2.0
57.03452	4.1
59.01384	46.5
61.98824	7.7
67.01892	3.2
71.01395	21.2
71.57728	2.9
73.02949	8.4
73.45451	1.8
78.95927	4.1
83.01392	2.1
83.05047	2.5
85.02948	11.7
87.00902	2.4
89.02438	16.3
93.03465	21.1
96.96024	12.0
96.96964	6.1
99.00872	2.2
99.04514	5.0
101.02459	7.5
105.39742	1.9
107.05040	2.0
109.02959	3.9
109.33993	1.9
111.04551	7.3
113.02454	8.4
115.03979	1.9
119.03514	2.7
125.02385	2.5
129.05508	2.0
131.03516	7.4
133.02937	3.1
134.03731	2.9
135.04543	65.4
135.08194	6.1
136.04927	4.0
137.02446	5.0
141.09212	3.7
143.03470	2.3
144.98895	1.8
149.04526	7.1
151.07680	4.6
155.03513	4.5
161.02434	7.9
173.04575	87.6
173.06067	4.9
174.04900	2.2
177.01973	9.4
177.05551	8.8
179.03516	71.3
180.03876	3.3
180.83163	2.1
191.05637	74.3
192.05841	2.9
203.03459	2.1
219.06628	5.9
220.07407	5.0
252.99667	2.4
282.08899	2.7
297.11301	5.1
308.24048	1.9
310.43500	2.1
335.07492	3.6
341.10144	10.1
353.08789	100.0
354.09149	5.2
479.31158	2.8
497.31030	5.1
515.11548	4.7
515.31970	29.0
516.32043	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	515.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56311	0.4
57.03449	1.2
59.01388	10.7
61.98837	1.8
65.03976	0.5
69.26602	3.1
71.01389	2.5
72.99301	0.3
73.02953	1.0
78.95923	0.9
83.05038	0.5
85.02965	1.0
87.00900	1.0
87.04507	0.4
89.02444	2.6
93.03469	55.0
94.03800	0.8
96.96027	2.9
96.96980	1.4
97.51547	0.3
99.04528	1.4
101.02449	1.6
113.02464	1.0
116.19734	0.3
121.72387	0.3
123.08171	0.4
126.94294	0.3
131.03510	0.9
135.04555	2.5
137.02458	100.0
138.02776	1.9
149.04623	0.8
151.07674	1.5
161.04556	0.4
173.04601	2.7
179.03508	2.5
191.05609	3.1
345.22900	0.9
353.08765	2.4
394.14932	0.3
461.87863	0.4
479.30591	0.5
497.31339	1.3
502.23996	0.4
515.17737	3.6
515.31604	6.5
516.18152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2843
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01885	1.6
57.03434	2.3
57.36787	1.0
58.00591	1.6
59.01386	43.9
61.98836	5.1
62.43103	0.8
69.28088	5.4
71.01019	1.2
71.01392	23.7
71.05021	0.9
72.99303	1.1
73.02956	4.7
75.71362	0.7
78.95898	2.2
83.01385	2.9
83.05047	1.5
85.02959	10.3
87.00864	2.5
87.04520	1.7
89.02464	10.8
93.03475	1.8
95.01378	1.9
96.17526	0.7
96.96014	1.4
98.19887	1.4
99.00866	2.4
99.04513	1.8
101.02450	19.2
111.00903	0.9
113.02473	8.5
119.03493	3.2
125.02396	1.1
127.04006	1.4
128.36993	0.8
131.03532	0.9
133.02957	1.3
135.04538	8.4
137.09686	1.7
138.37971	0.7
142.54663	0.7
143.03435	1.3
149.04553	0.7
155.03590	0.9
161.02472	0.7
161.04503	2.6
173.04613	6.5
177.02007	1.2
179.03494	7.3
179.04875	0.8
179.05603	0.8
191.05672	8.3
192.05911	0.9
195.65578	0.8
214.26756	0.9
220.07446	0.9
315.14847	0.8
335.22403	0.9
353.08795	8.3
373.71091	0.9
374.21832	0.9
397.37491	0.7
471.33261	1.1
515.28540	100.0
516.28735	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
60.99298	0.6
61.98852	0.4
67.01894	2.0
69.03473	0.4
69.46984	1.6
69.47418	1.0
71.01387	1.1
78.95909	1.4
81.03432	0.7
85.02951	4.6
87.00878	2.8
93.02871	0.6
93.03468	11.8
96.96041	2.1
96.96952	1.7
99.00878	0.4
109.02961	0.8
111.04525	2.0
118.90247	0.4
127.04007	1.3
133.02953	0.8
134.03722	0.5
135.04541	12.4
136.04825	0.4
137.02388	0.7
140.35143	0.3
140.59520	0.3
155.03557	0.8
161.02457	3.6
171.03000	0.6
173.04579	4.6
179.03514	13.5
180.03970	0.4
191.05634	100.0
192.05992	2.1
284.62119	0.3
323.07767	0.4
341.08655	2.1
353.08801	14.6
354.09290	0.8
452.47787	0.4
515.14081	18.9
516.14276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59328	1.9
59.01381	21.5
61.98824	5.1
69.53265	3.5
69.53666	9.3
71.01382	18.9
72.99293	2.9
73.02951	3.7
81.03493	2.6
83.01395	3.6
85.02952	7.2
87.00883	3.7
87.61583	1.7
87.99433	1.6
89.02460	11.6
93.03469	4.5
96.96007	4.4
98.19980	3.7
99.00888	3.4
100.61763	1.8
101.02486	9.2
108.02169	2.1
109.02953	6.4
111.00892	3.7
111.04453	2.1
113.02448	6.8
119.03490	4.3
121.03007	2.0
123.04548	1.9
124.01727	1.7
125.02428	3.1
133.21188	1.8
134.03773	10.7
135.04536	14.6
137.02388	1.7
145.03001	4.0
147.04512	4.6
148.05331	18.1
149.04610	1.7
149.06032	4.2
150.03206	2.0
158.03851	1.9
159.04488	4.0
160.01703	2.4
160.05296	8.5
161.02470	6.4
161.04556	5.3
161.06068	3.0
162.03230	16.7
163.04028	5.3
163.07700	2.6
164.04738	5.6
173.04538	8.3
173.05916	3.1
175.04007	3.3
175.07683	2.0
176.01158	2.3
176.04776	5.1
177.05574	32.7
177.07120	2.8
178.05984	1.7
179.03531	6.1
179.05646	2.6
187.04083	3.3
188.04749	3.1
189.05583	3.6
191.04094	1.9
191.05666	15.2
191.07237	3.3
194.02223	5.3
195.06645	3.4
201.05435	2.3
202.02814	2.5
202.06374	3.4
203.07040	2.0
204.04329	12.2
205.05013	7.3
207.06570	9.0
213.05530	4.6
214.06364	4.7
217.05096	3.3
217.08672	2.6
219.06625	25.4
221.08241	1.8
223.06116	6.5
229.08676	6.3
231.06593	5.0
232.07494	3.7
232.93976	1.7
233.04478	2.1
235.06145	6.4
240.04341	2.4
240.40271	1.7
246.24046	1.8
247.09804	9.1
249.07701	5.3
251.05623	100.0
252.05965	3.0
258.05414	10.8
273.07706	23.6
281.04578	2.4
291.08691	7.1
293.06741	9.4
297.07684	2.0
300.65720	1.8
305.04514	2.1
309.09680	3.4
335.07700	4.6
341.06335	7.1
353.08704	3.7
453.14020	3.0
471.14996	21.5
472.15555	2.3
479.21024	5.6
515.13733	21.2
515.20563	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	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04028	1.0
78.95911	52.5
79.95756	1.7
83.05048	0.6
85.02951	0.7
93.03468	2.3
96.96024	52.6
96.96974	100.0
107.05071	0.6
111.04525	1.7
111.57068	0.5
121.99571	0.5
134.03737	2.0
135.04539	54.7
136.04861	1.2
155.03522	1.6
173.04567	3.1
179.03517	68.5
180.03844	2.0
191.05597	7.7
245.68890	0.6
267.04248	0.5
310.17426	0.6
339.36896	0.6
341.08823	6.1
353.08829	4.8
515.14111	15.2
516.14160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
60.99314	0.8
64.53535	0.3
66.49149	0.4
67.01898	2.5
69.03464	0.6
69.84656	1.0
69.85056	0.5
71.01389	1.7
73.02959	0.3
81.03450	0.7
82.95406	0.8
83.05033	0.5
84.30919	0.3
85.02965	5.1
87.00888	3.7
89.02464	0.5
90.38625	0.3
93.03471	16.8
94.03749	0.6
95.82423	0.4
96.96015	0.6
98.20626	0.3
99.00893	0.6
99.04505	0.5
101.02441	0.5
109.02946	1.3
111.04552	3.0
113.02466	0.6
125.02474	0.7
127.03992	1.5
129.01999	0.4
133.02991	1.5
134.03789	0.5
135.04546	16.8
136.04982	0.3
148.05322	0.4
155.03539	0.5
161.02463	9.1
171.03075	0.5
173.04558	4.8
179.03514	13.3
180.03874	0.5
191.05630	100.0
192.05981	2.4
239.91599	0.3
323.07767	1.1
341.06143	1.0
353.08804	11.9
354.08969	0.4
395.09787	3.1
457.17239	0.7
515.14111	48.9
516.14410	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	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07612	1.1
54.29005	1.3
55.71913	1.1
56.17767	1.1
59.01386	2.7
69.23872	5.4
69.24301	6.4
71.01385	5.4
75.00892	1.0
77.99677	1.1
81.63653	1.0
85.02961	1.2
87.05872	1.2
93.03488	1.4
99.00883	13.7
101.02452	1.3
108.02184	3.0
109.02914	1.3
123.00895	1.3
123.04532	3.4
124.01726	1.4
125.02470	1.5
132.02267	1.3
133.02995	2.3
134.03764	6.8
134.57320	1.1
135.04521	3.8
145.02957	4.3
146.03731	5.0
147.04527	14.7
148.01639	1.8
148.05322	15.6
149.06078	5.8
150.56018	1.3
153.05484	1.5
158.03767	2.2
159.03233	1.2
159.04478	6.4
160.05310	16.6
161.02490	7.1
161.06049	6.5
162.03232	19.1
162.06870	8.3
163.03981	2.6
163.07684	8.4
164.04749	2.2
171.04527	1.5
172.05283	4.1
173.04599	2.0
173.06064	16.6
174.03206	3.8
175.04039	7.7
175.07654	6.6
176.04802	8.2
177.05583	38.0
178.06296	4.3
179.03520	2.4
179.07117	1.9
184.05289	5.2
185.06027	3.4
187.04025	8.1
187.07663	1.5
188.04816	27.4
189.05560	7.5
190.02711	6.7
190.06364	11.5
191.05597	5.6
191.07114	4.9
192.04265	1.7
193.05055	1.4
193.08707	2.5
199.07602	2.8
201.05621	3.9
202.06358	18.8
203.03444	2.1
203.07124	13.4
204.04301	19.1
205.05074	15.3
205.08705	4.8
206.05765	4.0
207.06635	4.7
213.05563	1.3
214.06299	4.6
215.03461	6.1
216.04295	23.2
217.04822	1.7
217.08708	43.4
218.02202	4.9
219.06641	55.0
220.03723	1.6
220.06932	1.7
221.08177	21.8
223.06236	1.4
229.05127	2.9
229.08702	1.6
230.05746	1.4
231.06636	48.9
232.06943	2.4
233.04610	13.2
234.05162	2.4
235.06091	20.6
249.07695	42.0
251.05611	24.9
258.05325	1.5
261.07678	4.5
265.07184	9.6
273.07687	3.2
291.08762	12.5
293.06683	59.9
294.06924	2.8
309.09808	9.8
323.02380	1.3
353.08798	100.0
354.09088	7.1
393.12106	1.6
413.10880	4.1
515.14160	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	515.1197
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
57.03432	1.5
59.01109	1.0
59.01382	12.8
61.98824	2.9
67.01886	2.7
70.30350	2.8
71.01390	5.5
73.02933	1.7
76.48506	0.7
81.03448	1.0
83.05025	1.1
85.02948	6.8
87.00872	1.6
89.02448	1.6
93.03461	22.1
96.96009	1.4
96.97005	1.0
101.02450	1.6
101.87622	0.7
109.02957	1.2
110.13042	0.7
111.00878	1.5
111.04523	4.9
113.02468	0.9
116.92830	1.1
119.03433	1.0
120.05907	0.7
122.66304	0.7
127.03998	1.8
131.03569	0.9
133.02977	1.9
134.03777	1.8
135.04539	65.2
135.08156	1.4
136.04857	1.6
137.02444	6.4
149.04497	0.9
151.07639	1.1
155.03496	4.0
161.02469	6.3
173.04558	96.5
174.04898	2.4
177.05577	1.4
179.03510	68.4
180.03801	2.2
191.05617	52.7
192.05951	1.6
203.03548	2.3
220.07487	2.0
255.06660	1.2
281.81558	0.9
300.05432	1.0
305.92249	0.7
335.07748	1.8
345.22754	0.9
353.08774	100.0
354.09177	5.1
380.01855	0.9
497.31293	1.5
515.12018	3.0
515.31421	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	515.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63470	0.6
57.03451	0.7
59.01380	1.5
60.99258	0.6
62.38231	0.5
67.01890	3.5
69.03446	0.7
69.40219	4.5
70.22320	0.5
71.01400	2.8
81.03445	0.6
82.94743	0.5
85.02950	2.9
87.00871	0.6
93.02875	1.1
93.03460	19.6
98.20609	1.0
99.04478	0.8
107.05006	0.8
107.29831	0.6
109.02984	0.8
111.00916	0.7
111.04526	4.3
119.09898	0.5
127.04030	1.6
133.02980	1.5
134.03763	3.1
135.04535	62.2
136.04836	1.5
137.02457	5.3
153.49603	0.5
155.03473	5.8
157.23674	0.5
161.02473	4.0
173.04553	90.6
174.04881	1.5
179.03511	64.4
180.03865	1.5
191.05618	47.0
203.03401	3.8
255.06615	0.8
292.01569	0.5
299.05692	1.7
317.06497	0.7
335.07513	0.9
353.08774	100.0
354.09180	5.7
402.11218	0.6
402.73361	0.8
499.37753	0.6
507.79086	0.6
515.12036	3.7
516.13135	0.6
529.33514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33868	0.7
59.01371	2.0
63.90909	0.6
65.61765	0.6
67.01883	3.1
69.39297	2.5
69.39725	3.1
70.51277	0.6
71.01385	2.2
83.05037	1.5
85.02971	6.2
87.00880	1.3
93.03467	19.2
107.05019	1.4
109.02957	1.7
111.04528	5.9
117.03470	1.0
127.04007	2.6
133.02969	9.0
134.03781	5.5
135.04539	83.0
136.04857	1.7
137.02478	6.5
155.03503	11.5
161.01137	1.3
161.02461	28.1
173.04561	83.3
174.04935	2.2
179.03511	89.8
180.03822	2.0
191.05621	82.8
192.05972	1.1
203.03542	1.4
335.07736	13.0
353.08786	100.0
354.09225	4.5
515.12006	36.1
516.12170	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	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.16095	0.4
59.01377	1.1
69.39503	3.3
71.01401	0.7
85.02955	6.6
87.00873	1.3
88.98806	0.5
93.03476	3.5
99.32828	0.4
99.93488	0.4
107.05043	1.3
111.04540	2.1
117.03451	0.6
127.04053	2.0
133.02992	2.3
134.03760	3.8
135.04541	50.9
136.04871	1.3
155.03535	1.6
161.02451	5.6
173.04562	4.8
179.03513	52.0
180.03870	1.1
181.58665	0.4
191.05627	100.0
192.05980	1.6
256.42831	0.4
265.47794	0.5
335.07700	0.6
353.08789	65.5
354.09171	3.4
360.15848	0.5
515.12042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54504	0.7
51.65165	0.6
57.03446	0.8
59.01385	1.1
61.66544	0.7
63.69430	0.7
65.88187	0.6
67.01900	2.4
70.14477	0.6
71.01386	1.6
73.31380	0.7
80.11350	0.7
83.05024	1.0
85.02962	3.0
93.03466	17.3
98.19928	3.0
111.04529	3.1
112.12600	0.7
112.94512	0.8
127.04023	1.1
133.02977	0.8
134.03755	2.1
135.04538	45.6
137.02414	3.8
155.03525	4.5
161.02473	3.8
173.04559	100.0
174.04919	2.5
179.03511	64.4
180.03889	2.0
191.05626	36.0
192.05898	1.1
203.03493	3.2
229.66939	0.9
229.69188	0.9
255.06622	0.9
299.05664	0.8
309.16110	0.8
312.98483	0.7
317.06680	0.7
353.08795	98.4
354.09097	4.3
445.18747	0.8
515.12231	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	515.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85776	0.5
71.01350	0.7
71.55032	0.5
78.95912	53.9
79.95744	1.2
83.04989	0.4
93.03465	1.9
96.96024	51.1
96.96974	100.0
108.19489	0.5
111.04530	1.3
114.69888	0.5
133.02882	0.6
134.03664	0.6
135.04539	43.3
136.04857	1.1
155.03493	1.3
173.04541	2.7
179.03516	57.5
180.03813	1.9
191.05637	6.1
221.08109	0.6
341.08865	6.1
353.08609	2.7
474.01126	0.6
505.14157	0.6
515.14081	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	515.1192
Annotation	3,5-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
57.03463	1.4
58.19391	0.7
59.01380	6.1
60.99299	1.3
61.98832	4.0
67.01901	4.5
69.03453	1.6
71.01392	6.5
71.56529	0.8
71.56896	1.2
73.02948	1.2
81.03460	1.9
83.01412	0.8
83.05036	1.6
85.02955	8.2
87.00885	9.2
89.02452	2.0
93.03460	32.4
96.96008	1.2
97.02945	0.9
99.00884	1.3
99.04543	1.3
101.02451	3.1
108.02161	1.3
109.02956	33.8
109.03709	1.7
111.04524	5.7
113.02467	1.4
115.04030	0.9
125.02466	1.2
126.90401	0.9
127.04047	2.5
129.01921	1.4
134.03799	0.9
135.04536	14.1
137.02434	2.0
143.03427	0.9
145.02966	15.2
151.04002	1.7
151.05154	0.8
155.03499	3.3
159.04543	2.6
161.02454	9.3
161.04764	1.4
161.06078	10.0
173.04565	23.1
179.03508	12.7
179.05026	1.3
186.03218	1.3
187.04015	13.7
191.05617	75.2
192.05936	1.9
205.05078	1.6
213.01945	2.7
214.02713	1.5
215.03232	1.4
225.05736	0.9
237.05585	0.9
239.03505	3.1
240.04242	1.4
253.05040	3.0
255.06602	5.2
279.03012	5.4
279.06503	1.7
280.03772	0.9
281.04544	13.8
282.04785	1.3
295.06363	1.4
297.07669	8.4
299.05557	1.0
299.09375	1.3
305.04617	1.1
323.05670	12.1
341.02606	1.5
341.06622	20.4
342.06931	1.5
353.08789	3.5
381.76584	0.8
401.71191	0.9
479.21094	8.0
515.11993	100.0
515.18774	6.2
516.12366	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89116	14.2
52.38493	14.3
55.20552	13.3
59.01381	73.9
61.78637	12.7
66.20777	15.2
69.49742	100.0
72.75929	14.1
84.34733	13.5
184.25984	14.2
197.71176	14.4
212.86749	15.4
455.31830	20.6
513.27063	23.3
513.35675	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3585
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
56.29966	0.5
59.01382	33.8
70.55737	1.6
78.95895	2.6
83.27454	0.5
84.03342	0.5
97.06587	0.7
117.31856	0.5
152.99585	4.5
218.78133	0.6
277.21741	2.5
391.30203	1.4
405.31412	0.9
407.33224	0.9
431.22098	0.5
453.33752	63.4
454.34100	6.2
469.32889	0.9
513.35858	100.0
514.36212	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3588
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
56.11724	0.5
59.01268	22.9
59.01793	0.9
70.84814	1.2
71.54797	0.4
78.95776	0.6
79.73815	0.5
96.95882	0.8
97.06504	1.1
106.76237	0.5
118.85646	0.5
125.09563	1.5
134.94394	0.5
218.10345	0.6
282.72635	0.5
391.29874	1.1
407.33279	1.7
415.30255	0.5
439.26196	0.5
441.33688	8.9
442.34363	0.7
453.33762	76.0
454.34000	6.3
471.34793	8.3
472.35519	0.6
495.29755	1.3
513.35962	100.0
514.36316	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	514.325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35661	0.1
59.01378	0.3
61.98837	100.0
62.98542	0.1
65.42869	0.1
67.57835	0.1
69.35023	0.8
71.01389	0.3
79.09142	0.1
85.02998	0.1
89.02434	0.2
89.19716	0.1
93.03462	0.2
101.02480	0.2
111.04449	0.1
111.89700	0.1
133.02963	0.1
135.04564	0.3
161.02325	0.2
173.04622	0.4
179.03551	0.3
191.05603	0.7
192.04805	0.1
254.38300	0.1
258.73227	0.1
289.67355	0.1
315.74255	0.1
317.84378	0.1
322.19693	0.2
353.08694	0.5
372.31714	0.1
440.96591	0.1
454.23730	0.7
454.34085	0.4
514.32330	0.2
529.52716	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	513.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
59.10300	0.7
59.93593	0.7
61.98822	0.9
71.55843	1.1
80.81947	0.7
81.66919	0.6
108.54359	0.6
157.22926	0.6
184.33037	0.8
195.17365	0.7
271.22778	0.7
277.21713	1.0
279.74908	0.7
296.12735	0.7
455.35324	60.1
456.35687	4.8
513.31177	100.0
514.31567	8.4
514.38788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00409	0.6
55.84661	0.6
59.01374	2.0
61.98829	0.9
66.66521	0.6
70.96472	1.5
82.08807	0.6
85.06555	0.7
103.87009	0.6
113.19610	0.7
162.82001	0.7
163.07605	1.8
267.27176	0.7
359.29391	1.0
407.33008	1.9
455.35339	68.0
456.35699	4.5
469.36771	1.4
513.31055	100.0
514.31464	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	513.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18596	1.4
57.03825	1.6
59.01384	100.0
61.98833	2.1
62.59652	1.3
63.64255	1.1
71.01373	1.7
71.56271	1.8
78.95916	2.4
95.05027	1.5
128.80428	1.4
136.70146	1.4
141.09212	1.9
202.64783	1.7
277.21545	1.5
333.95605	1.4
423.03946	1.6
431.31616	4.3
469.33411	2.5
475.33960	2.6
477.36359	2.3
513.28491	7.9
513.35388	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03436	0.2
58.00603	0.2
59.01385	6.7
69.74890	0.9
71.01389	4.4
72.99312	0.6
73.02970	1.0
78.95922	1.0
79.05533	0.1
83.01397	0.5
83.05050	0.3
85.02947	1.0
85.53258	0.2
87.00888	0.6
87.51347	0.1
89.02453	3.5
95.01411	0.3
96.96965	0.2
97.42727	0.1
98.20634	0.3
98.30750	0.2
99.00850	0.2
101.02450	4.5
113.02462	1.9
119.03493	1.1
125.02455	0.4
127.07637	0.2
131.03529	0.3
133.05077	0.2
143.03456	0.2
152.99615	1.7
160.84212	0.5
161.04588	1.5
179.05634	0.7
233.15387	0.2
233.22679	0.4
235.08218	1.2
253.09306	15.8
254.09555	0.4
259.20511	0.3
275.20261	0.5
277.21735	100.0
278.22101	5.6
431.22092	0.2
442.12283	0.2
473.07495	0.2
513.27460	0.3
513.35474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03460	0.2
57.73648	0.1
58.00604	0.2
59.01383	6.7
67.68070	0.1
69.22688	0.8
69.85697	0.1
71.01389	5.1
72.99326	0.3
73.02950	1.0
75.00897	0.1
81.03475	0.1
83.01370	0.6
83.05052	0.2
85.02953	1.1
87.00882	0.7
89.02453	4.0
89.44433	0.1
91.04042	0.2
95.01417	0.4
97.02940	0.2
99.00893	0.3
99.04546	0.1
101.02448	4.9
112.24294	0.1
113.02460	2.3
115.04039	0.2
119.03491	1.0
125.02470	0.2
127.07667	0.3
131.03540	0.2
133.05109	0.3
141.09238	0.1
143.03510	0.3
157.05061	0.1
161.04585	1.6
166.39482	0.1
179.05617	0.5
205.19688	0.1
233.22813	0.3
235.08228	1.2
253.09309	16.2
254.09688	0.3
254.63849	0.1
259.20749	0.3
265.81662	0.1
275.20230	0.3
277.21738	100.0
278.22098	4.8
278.25275	0.1
328.46799	0.1
374.23151	0.1
398.01855	0.1
513.27246	0.4
513.35303	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	513.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.1
57.03462	3.0
59.01385	54.2
61.98834	11.6
71.01389	40.1
71.54969	1.9
73.02954	18.0
75.00869	1.5
78.95912	4.1
81.03450	1.5
83.01400	12.8
85.02961	22.2
87.00883	4.7
89.02440	7.9
93.03461	6.9
95.01432	1.8
96.96040	7.3
96.96978	5.0
97.02943	1.9
99.00885	7.0
101.02455	44.4
109.02995	2.9
111.00884	3.5
113.02455	15.2
115.92091	2.3
116.92877	5.8
119.03527	3.7
123.04530	1.6
125.02457	4.0
129.01938	2.4
131.03545	1.6
133.02965	4.4
134.03780	2.7
135.04559	4.5
137.02432	2.8
143.03508	1.6
147.04527	1.6
155.03445	1.8
159.02994	2.8
159.04399	1.9
161.02478	16.3
161.04527	12.4
163.06166	2.3
167.05055	1.3
173.04527	8.4
173.70053	1.3
178.02705	2.5
179.03465	3.2
191.03540	8.3
191.05630	12.9
215.75066	1.2
222.06868	1.7
229.01492	1.5
229.07370	2.2
239.07198	2.0
249.05615	3.0
264.04245	1.4
267.06677	3.3
273.57050	1.4
277.05045	2.2
279.03122	3.3
280.03497	2.9
294.05182	1.4
295.06088	5.1
297.12140	1.6
307.17661	66.1
308.17932	1.8
311.05368	1.7
321.04050	4.8
339.05118	39.6
340.05429	2.7
419.18262	1.5
437.18948	1.7
453.23453	100.0
454.23734	6.5
481.18256	4.8
513.10413	20.3
513.20245	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	513.2703
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01882	4.6
58.00598	2.7
59.01384	60.7
59.68496	0.4
60.01700	0.5
61.98830	0.5
67.01892	0.5
68.99821	0.6
69.03455	2.5
71.01385	94.5
71.14263	0.7
72.01733	0.8
72.99316	4.3
73.02953	23.2
75.00880	1.3
76.66650	0.3
80.43002	0.3
81.03465	1.5
83.01001	0.2
83.01393	13.9
85.02956	34.2
86.00076	0.7
87.00888	5.2
89.02450	49.0
89.76765	0.3
90.02801	0.4
93.03484	0.4
95.01403	4.1
97.02963	4.8
99.00887	9.2
99.04541	0.5
101.02449	62.6
102.02798	0.5
102.67078	0.3
109.02989	0.4
111.00889	8.2
111.04527	0.5
113.02454	26.2
115.04044	1.9
119.03499	2.8
125.02459	6.7
127.04034	0.8
129.01962	1.9
130.44243	0.3
131.03510	28.2
137.02461	0.6
139.04044	0.5
141.01984	0.6
143.03510	5.4
149.04561	20.0
159.03000	4.4
161.04561	25.9
167.23761	0.3
173.04596	0.9
179.05504	0.5
187.06093	0.4
187.91595	0.4
191.05637	4.8
202.91676	0.4
203.14374	1.1
205.03532	0.8
215.05592	2.1
219.17603	1.0
233.06683	7.7
293.08798	3.6
363.21790	1.3
381.22821	49.9
382.23254	2.2
425.21582	0.5
513.27026	100.0
514.27380	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	513.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21542	1.2
55.01870	3.0
57.03432	3.9
59.01387	52.4
61.98827	6.0
69.03459	2.5
69.56782	9.7
71.01015	2.3
71.01390	45.7
72.99308	2.7
73.02951	14.8
75.00895	2.3
78.95916	1.5
82.63719	1.6
82.75429	1.3
83.01387	7.5
83.05025	1.8
85.02959	19.6
87.00874	5.9
88.98802	5.0
89.01938	2.4
89.02452	29.0
93.03442	4.2
95.01376	1.7
95.05006	1.4
96.96006	4.5
97.02965	3.0
97.13749	1.3
99.00883	4.0
99.04556	2.4
101.01791	2.7
101.02450	35.8
107.01366	2.9
108.02157	2.3
111.00885	6.3
111.04497	2.6
112.41898	1.5
113.02466	14.7
114.91798	1.3
115.03967	2.0
119.03518	3.6
123.08136	1.6
124.01662	1.9
125.02448	6.7
125.06044	1.4
127.83505	1.5
131.03517	13.7
133.02950	2.1
134.03758	1.5
135.04541	3.2
135.08171	4.8
136.01648	3.8
137.02411	1.6
141.09225	2.0
143.03467	4.8
149.04587	10.4
151.00362	1.7
151.07614	3.0
152.01120	3.4
153.51419	1.4
157.08707	2.8
159.02957	1.7
161.02394	2.3
161.04581	6.6
164.01166	10.5
171.10243	3.6
173.04546	10.5
177.01894	1.8
179.03600	1.8
183.17383	1.7
189.86252	1.3
191.05630	9.5
196.00148	6.9
201.11351	14.3
233.06569	6.3
264.85913	1.4
273.07776	1.4
293.08850	2.6
300.06323	5.1
315.08771	82.2
316.09055	5.3
321.19183	21.4
404.47711	1.7
453.23419	100.0
454.23627	5.4
477.28613	1.8
495.29459	5.8
513.20099	3.1
513.30365	16.1
514.30499	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	513.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03448	2.6
57.86095	1.4
58.00602	1.8
59.01385	41.2
61.98830	4.9
69.56547	10.7
71.01386	36.2
72.99313	2.3
73.02948	9.2
74.07928	1.3
76.53773	1.4
82.95419	10.0
83.01385	5.3
85.02954	17.0
86.16595	1.5
87.00903	3.1
87.54514	1.6
89.02456	15.9
92.78988	1.4
93.03468	4.9
96.95980	2.4
97.02965	1.7
98.20634	2.7
99.00917	3.9
101.02448	23.7
111.00880	3.9
113.02470	10.4
119.03458	2.5
125.02502	2.4
131.03572	8.5
133.02971	4.7
135.04532	5.3
149.04558	4.8
161.02481	4.5
161.04593	6.5
173.04539	8.2
177.01895	2.2
179.03441	3.8
191.05626	9.3
221.16718	1.7
229.01471	2.3
233.06619	2.8
238.02760	1.4
251.07220	1.6
265.78033	1.3
267.06696	4.3
282.09549	1.8
293.04657	2.7
295.06137	6.1
297.11746	1.5
321.03842	2.0
321.19171	32.0
329.10779	2.6
339.05096	28.8
351.07318	1.8
351.21664	2.4
369.93823	1.6
419.17871	2.9
437.19064	3.7
453.23413	100.0
454.23532	6.0
481.18033	13.5
513.10175	9.5
513.20404	4.8
513.26892	8.5
514.10773	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	513.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98839	2.4
69.31153	0.9
69.31557	3.5
71.01366	0.7
71.99557	0.4
78.95913	31.9
79.95744	2.9
85.02943	1.5
87.00847	0.7
89.02422	0.6
93.03465	1.5
96.96013	100.0
96.96964	54.4
98.95957	0.4
104.71260	0.5
111.04572	0.5
133.02943	0.6
133.06593	0.5
135.04492	0.6
144.76093	0.5
161.02481	2.1
173.04552	1.1
191.05652	5.9
228.07018	0.4
232.51045	0.5
249.05476	0.6
251.03256	0.5
259.01273	0.5
267.06607	1.0
267.40726	0.5
276.04053	0.4
277.05115	0.7
279.02927	1.7
280.03693	2.0
293.04590	0.8
295.06128	1.4
311.06027	0.5
312.13019	0.5
315.89227	0.4
321.03943	3.1
339.05014	3.8
513.10510	5.2
514.09814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03448	2.6
57.86095	1.4
58.00602	1.8
59.01385	41.2
61.98830	4.9
69.56547	10.7
71.01386	36.2
72.99313	2.3
73.02948	9.2
74.07928	1.3
76.53773	1.4
82.95419	10.0
83.01385	5.3
85.02954	17.0
86.16595	1.5
87.00903	3.1
87.54514	1.6
89.02456	15.9
92.78988	1.4
93.03468	4.9
96.95980	2.4
97.02965	1.7
98.20634	2.7
99.00917	3.9
101.02448	23.7
111.00880	3.9
113.02470	10.4
119.03458	2.5
125.02502	2.4
131.03572	8.5
133.02971	4.7
135.04532	5.3
149.04558	4.8
161.02481	4.5
161.04593	6.5
173.04539	8.2
177.01895	2.2
179.03441	3.8
191.05626	9.3
221.16718	1.7
229.01471	2.3
233.06619	2.8
238.02760	1.4
251.07220	1.6
265.78033	1.3
267.06696	4.3
282.09549	1.8
293.04657	2.7
295.06137	6.1
297.11746	1.5
321.03842	2.0
321.19171	32.0
329.10779	2.6
339.05096	28.8
351.07318	1.8
351.21664	2.4
369.93823	1.6
419.17871	2.9
437.19064	3.7
453.23413	100.0
454.23532	6.0
481.18033	13.5
513.10175	9.5
513.20404	4.8
513.26892	8.5
514.10773	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	513.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48600	0.7
56.06293	0.7
59.01369	1.6
61.98819	0.8
67.01867	0.6
69.67813	1.4
69.68211	2.9
71.01368	1.4
75.52851	0.8
78.95906	65.3
79.95734	2.3
85.14365	0.6
87.00835	0.8
93.03462	1.9
96.96005	89.0
96.96957	100.0
133.02965	1.4
135.04497	1.4
136.53015	0.8
146.44144	0.7
158.43034	0.7
161.02470	6.2
168.21898	0.6
173.04579	1.0
177.01790	0.8
187.59814	0.9
191.05594	2.1
199.01155	0.8
243.49113	0.8
304.21515	0.7
339.05081	6.8
361.25500	0.8
383.40680	0.7
513.10352	4.6
537.52179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21648	0.3
59.01411	1.6
61.01126	0.3
61.98865	1.5
67.01918	0.3
67.64410	0.4
69.72873	0.7
69.73267	1.9
71.01419	1.2
78.95931	0.9
85.02981	0.5
87.00916	1.1
89.02497	1.6
93.03475	3.3
96.96030	1.7
96.96993	1.1
101.02523	0.4
109.02978	0.4
111.04572	1.2
121.02983	0.7
125.02515	0.4
133.03018	1.1
134.03824	0.6
135.04572	1.8
137.02458	0.4
155.03603	0.6
159.04594	1.0
160.01668	0.5
161.02463	3.1
163.04021	0.8
165.01955	0.5
167.08696	0.7
169.06699	0.5
173.04582	2.1
175.04008	0.4
179.03546	1.3
183.08162	0.5
191.05614	2.9
193.06633	0.8
195.04639	0.4
195.06624	0.8
195.08194	3.3
196.05293	0.6
197.06125	0.5
206.07281	0.4
207.08176	0.7
209.06041	0.6
211.04146	0.3
211.07622	2.6
221.06116	3.4
222.06876	2.3
223.07677	6.2
224.04848	1.6
225.05403	0.5
233.06317	0.9
234.06758	0.4
237.05478	1.7
238.06380	1.5
239.07166	5.4
248.04781	0.4
249.05554	2.9
250.06343	2.1
251.07169	7.3
252.04344	0.5
253.05104	0.6
265.05130	1.1
266.05917	1.3
267.06631	12.6
268.06866	0.4
277.05154	2.4
278.05725	0.4
280.03745	0.6
293.04724	0.9
293.08780	2.0
295.06131	13.5
296.06430	1.0
303.86487	0.4
306.27719	0.3
307.06299	0.3
311.05618	4.7
312.05878	0.4
321.04019	1.2
339.05106	100.0
340.05435	4.3
376.78818	0.3
495.09250	1.3
513.10333	37.8
514.10742	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	513.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
59.83849	0.3
60.99296	0.4
61.98851	1.3
67.01897	1.7
69.03432	0.5
71.01376	1.9
71.56451	0.4
73.02927	0.4
75.00878	0.8
78.95910	1.3
81.03461	0.6
83.05047	0.6
85.02959	2.1
85.81643	0.3
87.00887	1.9
89.02470	0.9
92.05548	0.3
93.02869	0.6
93.03465	11.1
96.96006	3.1
96.96971	1.2
99.00880	0.4
101.02460	1.0
109.02937	1.4
111.00890	0.5
111.04520	2.2
112.51532	0.3
113.02466	0.6
121.02979	1.0
122.06138	0.8
127.04036	0.6
129.01997	0.4
132.02209	0.3
133.02954	1.3
134.03819	0.4
135.04509	1.6
137.02495	1.4
138.05647	0.6
138.50977	0.3
145.02988	0.6
148.04065	0.3
149.04630	0.3
149.06065	0.4
155.03464	1.1
158.03757	0.3
159.04572	1.7
160.01657	0.8
161.02460	4.4
165.01964	0.4
165.05513	0.6
167.08655	0.4
173.02386	0.3
173.04552	5.4
174.03220	0.5
177.01942	0.4
179.03487	1.5
181.06706	0.3
183.06589	0.5
183.08067	0.3
188.04883	0.5
191.05614	9.1
192.05981	0.4
193.06584	1.1
195.06566	0.4
195.08162	3.5
196.05272	0.5
197.06033	0.4
206.07333	0.4
207.08189	0.7
209.06123	1.1
211.03967	0.4
211.07651	2.7
221.06097	3.6
221.08093	0.6
222.06793	2.5
223.07642	5.4
224.04770	1.2
225.05623	0.6
229.01321	0.3
234.06958	0.5
237.05573	2.5
238.06372	1.3
239.07146	5.0
240.60437	0.3
248.04761	1.0
249.05597	2.8
250.06384	2.1
251.07135	6.6
252.04257	0.9
253.04982	0.7
265.05090	2.4
266.05777	1.8
267.06622	12.7
267.09549	0.6
268.06943	0.4
269.13037	0.4
277.05038	2.9
278.05640	0.3
279.02863	0.3
279.47607	0.3
280.03711	1.5
283.06058	0.5
293.04532	2.6
294.05197	0.7
295.06134	13.1
296.06470	0.6
311.05597	5.0
321.04108	4.0
339.05087	100.0
340.05417	5.6
381.06189	1.1
452.18069	0.4
470.19287	0.7
491.66138	0.3
492.35159	0.3
495.09351	2.8
512.30646	0.4
513.10364	73.0
514.10724	4.6
514.17743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
59.83849	0.3
60.99296	0.4
61.98851	1.3
67.01897	1.7
69.03432	0.5
71.01376	1.9
71.56451	0.4
73.02927	0.4
75.00878	0.8
78.95910	1.3
81.03461	0.6
83.05047	0.6
85.02959	2.1
85.81643	0.3
87.00887	1.9
89.02470	0.9
92.05548	0.3
93.02869	0.6
93.03465	11.1
96.96006	3.1
96.96971	1.2
99.00880	0.4
101.02460	1.0
109.02937	1.4
111.00890	0.5
111.04520	2.2
112.51532	0.3
113.02466	0.6
121.02979	1.0
122.06138	0.8
127.04036	0.6
129.01997	0.4
132.02209	0.3
133.02954	1.3
134.03819	0.4
135.04509	1.6
137.02495	1.4
138.05647	0.6
138.50977	0.3
145.02988	0.6
148.04065	0.3
149.04630	0.3
149.06065	0.4
155.03464	1.1
158.03757	0.3
159.04572	1.7
160.01657	0.8
161.02460	4.4
165.01964	0.4
165.05513	0.6
167.08655	0.4
173.02386	0.3
173.04552	5.4
174.03220	0.5
177.01942	0.4
179.03487	1.5
181.06706	0.3
183.06589	0.5
183.08067	0.3
188.04883	0.5
191.05614	9.1
192.05981	0.4
193.06584	1.1
195.06566	0.4
195.08162	3.5
196.05272	0.5
197.06033	0.4
206.07333	0.4
207.08189	0.7
209.06123	1.1
211.03967	0.4
211.07651	2.7
221.06097	3.6
221.08093	0.6
222.06793	2.5
223.07642	5.4
224.04770	1.2
225.05623	0.6
229.01321	0.3
234.06958	0.5
237.05573	2.5
238.06372	1.3
239.07146	5.0
240.60437	0.3
248.04761	1.0
249.05597	2.8
250.06384	2.1
251.07135	6.6
252.04257	0.9
253.04982	0.7
265.05090	2.4
266.05777	1.8
267.06622	12.7
267.09549	0.6
268.06943	0.4
269.13037	0.4
277.05038	2.9
278.05640	0.3
279.02863	0.3
279.47607	0.3
280.03711	1.5
283.06058	0.5
293.04532	2.6
294.05197	0.7
295.06134	13.1
296.06470	0.6
311.05597	5.0
321.04108	4.0
339.05087	100.0
340.05417	5.6
381.06189	1.1
452.18069	0.4
470.19287	0.7
491.66138	0.3
492.35159	0.3
495.09351	2.8
512.30646	0.4
513.10364	73.0
514.10724	4.6
514.17743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88996	0.9
59.01376	2.4
61.98823	1.3
67.01888	1.0
69.33615	6.5
69.34034	2.2
71.01391	2.0
72.61072	1.1
75.84431	0.9
77.64037	1.1
93.03461	6.4
95.05068	1.3
98.89435	0.9
105.03455	2.7
110.06133	4.1
111.04549	1.4
121.05349	2.7
122.06115	8.5
132.02274	1.2
133.02975	22.4
134.03314	3.8
135.04559	9.0
136.04889	1.2
137.02492	1.4
144.04561	9.3
155.03471	1.1
156.99042	1.2
160.04089	3.3
161.02463	15.0
161.04741	2.3
162.02794	2.4
162.05568	1.4
172.04054	4.0
173.04593	15.0
174.05624	2.6
176.03653	1.2
177.01932	9.9
178.02347	1.3
179.03516	6.5
191.05537	4.7
203.05826	1.1
204.06657	4.5
205.03778	1.3
211.08858	0.9
212.05882	4.8
212.09532	1.1
225.06682	4.0
236.09480	1.7
237.10332	7.3
238.08754	1.4
239.08215	7.0
240.09116	2.3
241.09753	1.4
251.08209	2.0
251.11963	6.4
252.10466	2.2
252.12552	4.9
253.06219	11.3
253.09738	9.3
254.06624	1.1
254.10599	1.1
255.11464	1.7
265.06265	1.0
266.06934	3.1
267.07712	12.3
267.11404	3.5
268.08569	5.7
268.12039	4.8
269.12845	0.9
278.10599	1.3
279.07748	3.4
279.11411	2.1
280.08545	6.4
281.09311	23.5
282.09937	2.6
285.08850	2.0
294.10022	1.2
295.10892	24.0
296.11646	31.3
297.12250	1.5
299.10455	2.4
300.11267	2.4
309.08759	1.1
310.09674	1.2
311.10226	1.5
313.11905	1.7
328.10675	14.0
328.50552	1.1
329.10980	2.4
335.07629	1.5
340.10791	1.4
351.07153	5.6
353.08725	2.6
367.09869	1.2
374.18539	2.0
406.17599	5.3
418.12106	1.7
418.17746	29.9
419.17740	2.1
436.18787	29.5
437.18948	2.5
462.16721	13.2
463.17047	1.3
480.17776	100.0
481.18225	5.8
490.76395	1.1
494.19229	1.4
512.20239	15.9
512.28387	1.5
513.14038	1.0
513.20795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73808	0.8
59.01380	5.9
61.98835	5.9
66.34302	0.8
67.01893	1.1
69.42927	3.3
69.43353	2.4
71.01397	4.1
77.03961	0.9
83.33799	0.8
85.02947	1.2
89.02444	2.5
93.03445	4.9
95.05039	1.7
96.96025	1.2
98.19857	1.2
101.02441	3.7
102.02748	0.8
105.03457	2.8
110.06135	3.7
113.02448	1.0
119.71369	0.7
121.05354	2.1
122.06139	7.0
123.04516	0.8
131.03513	0.9
131.97473	0.7
133.02972	17.6
134.03271	3.1
135.04526	5.0
137.02464	1.4
144.04590	7.2
146.06107	1.6
147.03238	1.0
149.04698	0.8
151.00369	0.8
160.04051	1.8
161.02388	1.5
161.04791	2.2
162.05663	1.4
165.94086	0.8
172.04074	3.8
173.04568	17.9
174.05615	2.8
177.01926	7.5
178.02388	1.8
179.03506	1.5
189.04135	1.2
191.05638	4.1
198.70941	0.8
203.05872	3.5
204.06641	7.6
211.05127	1.0
211.08669	0.9
212.05891	5.7
223.08745	1.0
225.06715	1.2
225.10359	1.0
227.11829	1.0
236.09619	1.1
237.10268	5.5
238.08772	1.5
239.08266	5.0
240.08995	1.8
245.09425	1.0
251.12018	4.2
252.12704	5.9
253.06224	5.7
253.09700	4.5
254.10565	1.3
255.11377	2.7
266.07025	2.5
267.07727	8.7
267.11349	2.7
268.08493	5.4
268.12140	2.9
269.12946	1.7
279.07901	1.4
280.08530	3.7
281.09329	18.8
282.09677	1.3
285.08890	1.7
285.12427	0.9
295.10867	11.3
296.11667	19.5
297.12155	1.5
299.10449	4.2
300.11081	2.5
307.08307	1.5
311.10440	3.1
313.11923	3.5
320.18045	0.9
325.11819	1.5
327.13577	1.1
328.10684	6.2
328.14188	1.6
329.11325	2.0
339.04950	1.1
340.10580	1.8
344.13794	1.4
351.07303	5.5
372.13141	1.0
374.19141	1.8
406.17712	1.4
418.17816	10.9
436.18878	14.8
444.15472	1.1
450.20456	1.7
452.22098	2.9
452.28333	0.9
462.16833	3.3
462.69366	0.8
468.21371	1.4
480.17834	28.2
481.17838	1.9
494.19171	4.7
512.20398	100.0
513.10229	0.8
513.12421	0.9
513.20667	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	511.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03454	3.3
58.00600	1.5
58.22623	0.8
59.01386	58.1
61.98815	1.3
69.88858	0.8
71.01387	36.1
72.99328	1.7
73.02954	19.8
75.33206	0.9
76.64400	1.0
83.01388	13.9
83.89977	0.8
83.93856	1.1
85.02958	21.6
86.00102	1.2
87.00884	1.8
89.02460	3.8
95.01372	1.4
97.02949	2.1
98.19774	1.8
99.00903	6.9
101.02452	43.7
103.04030	2.6
111.00893	1.2
113.02450	12.6
115.29783	0.9
119.03513	1.2
125.02441	3.2
129.01961	1.1
159.02986	2.9
160.97037	0.9
161.04587	11.4
163.06145	2.1
193.92926	0.9
209.11833	2.4
305.19708	84.7
306.20059	2.5
392.06363	1.2
451.25488	100.0
452.25769	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	511.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
65.65844	1.0
69.81123	2.4
69.81530	3.8
80.02701	1.5
83.05019	6.4
97.06580	1.3
98.19935	1.2
114.38148	1.2
125.09731	1.8
135.08220	1.6
163.11288	4.2
163.29439	1.0
165.12849	3.1
171.10294	27.8
185.11848	1.5
191.10767	1.4
203.14578	1.3
207.10355	1.7
209.11844	100.0
210.12224	3.4
227.12936	6.6
247.13437	8.1
249.14980	1.2
265.14450	2.2
266.02173	1.2
375.25543	1.9
449.25223	2.7
467.33655	1.1
475.27060	2.9
493.27960	1.7
511.28934	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	511.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68301	6.4
59.01372	31.3
61.98835	11.7
65.20074	6.8
69.23619	6.0
71.05052	9.0
72.99322	8.3
81.46560	7.1
82.03942	6.3
83.05019	9.8
83.21577	7.0
98.20678	14.9
100.80723	6.7
151.05505	7.0
229.20992	12.6
332.71014	7.7
418.86853	7.5
467.35123	24.6
473.32175	11.1
475.33585	10.6
511.34802	100.0
512.35297	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	511.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20105	2.7
57.03440	3.9
58.00604	2.6
58.29547	2.3
59.01112	3.6
59.01388	61.2
61.98822	4.7
69.03456	4.0
69.27195	14.0
69.27618	8.8
71.01390	55.4
72.99287	3.2
73.02941	8.1
81.03452	6.3
83.01382	5.3
85.02962	20.0
87.00893	5.3
89.02449	54.6
93.03462	12.5
95.05042	4.7
96.95992	12.0
97.02934	4.1
97.56037	2.4
99.00924	3.6
99.08169	3.1
101.02448	32.1
105.03479	18.5
109.02950	5.0
111.00867	3.7
113.02472	14.1
119.03498	4.0
121.02966	4.9
123.04516	3.7
125.02464	13.6
127.11299	4.6
130.22824	2.4
131.01381	5.3
131.03502	18.9
133.02979	100.0
135.04547	4.9
137.02411	5.7
141.01775	3.1
143.03459	4.7
149.02449	9.2
149.04581	18.8
157.12375	15.1
161.02470	12.4
161.04544	10.2
173.04546	10.9
177.01959	35.0
179.03471	2.8
191.05643	16.2
239.08311	2.9
280.08417	3.7
281.09122	3.8
293.08865	11.4
294.09860	5.5
295.10596	6.3
296.11615	4.2
319.17563	6.5
349.05142	3.4
351.06949	4.3
435.17590	5.4
447.46109	2.6
451.21906	68.1
479.16354	3.8
480.17764	3.7
511.31088	12.8
512.20660	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72715	2.0
57.03450	8.3
58.00590	3.9
59.01382	100.0
61.98838	19.9
64.47647	2.0
69.18861	23.2
71.01387	66.8
72.99330	4.1
73.02967	11.9
75.00873	4.7
78.95917	4.5
83.01384	2.7
85.02959	11.4
87.00890	7.1
89.02454	95.2
91.02458	2.2
96.96018	2.7
98.19819	4.5
99.00824	2.1
99.04533	7.2
101.02457	45.8
113.02482	14.1
119.03491	6.5
125.02398	3.0
131.03526	29.3
133.02977	5.4
135.04495	4.3
149.03369	3.9
149.04559	75.6
151.07687	2.6
161.04597	3.4
173.04512	3.2
178.50325	2.3
179.03487	2.4
181.08670	2.2
191.03690	5.0
191.05624	20.8
221.25266	2.6
245.09305	2.6
293.08951	2.5
311.10117	4.8
367.17654	3.6
422.35953	2.2
439.14035	2.4
451.22079	6.2
451.28876	4.5
471.50363	2.4
511.29993	12.8
512.28906	2.6
514.25507	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	511.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18975	1.7
55.01871	2.5
57.03424	3.6
59.01387	50.2
61.95483	1.8
61.98830	3.6
64.43760	1.7
70.70108	4.8
71.01392	38.2
71.79455	1.7
72.99303	2.7
73.02955	11.9
76.66420	1.9
83.01392	7.8
85.02963	19.8
87.00887	2.7
89.02451	22.3
93.98042	2.1
97.18140	1.8
99.00874	4.0
99.46547	1.9
101.02456	33.3
111.00880	2.7
113.02470	10.6
125.02470	7.6
131.03523	13.1
149.04547	8.1
161.04562	7.2
173.04491	2.9
191.05641	3.3
197.16449	1.6
209.11795	2.9
233.06725	2.2
319.21289	30.6
347.03488	2.1
451.25534	100.0
452.25812	7.5
460.49347	1.9
511.32794	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	511.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	58.4
60.99314	12.6
61.98843	14.6
65.84206	2.0
71.01390	23.3
71.55917	2.9
73.02946	6.9
78.95905	8.5
83.01387	3.5
85.02969	11.0
87.00896	4.6
88.00387	2.2
88.98812	100.0
89.02457	31.6
91.05470	2.5
93.03461	4.2
99.00876	3.0
101.02450	15.3
107.33216	2.0
111.04510	3.6
113.02438	8.9
116.92883	9.0
119.03499	2.8
119.09899	2.0
131.03566	3.0
133.02980	5.3
137.02505	2.6
161.04510	4.5
167.10738	2.2
173.04572	9.3
191.05597	8.8
192.26276	2.1
451.21790	3.7
481.25323	7.0
481.75461	2.6
493.28314	3.7
511.29575	20.9
512.20551	5.2
512.28558	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	511.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	58.4
60.99314	12.6
61.98843	14.6
65.84206	2.0
71.01390	23.3
71.55917	2.9
73.02946	6.9
78.95905	8.5
83.01387	3.5
85.02969	11.0
87.00896	4.6
88.00387	2.2
88.98812	100.0
89.02457	31.6
91.05470	2.5
93.03461	4.2
99.00876	3.0
101.02450	15.3
107.33216	2.0
111.04510	3.6
113.02438	8.9
116.92883	9.0
119.03499	2.8
119.09899	2.0
131.03566	3.0
133.02980	5.3
137.02505	2.6
161.04510	4.5
167.10738	2.2
173.04572	9.3
191.05597	8.8
192.26276	2.1
451.21790	3.7
481.25323	7.0
481.75461	2.6
493.28314	3.7
511.29575	20.9
512.20551	5.2
512.28558	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
59.57574	0.2
61.01816	0.3
61.23006	0.2
61.98835	100.0
70.68002	0.8
71.01392	0.8
89.02442	0.5
94.58968	0.2
95.89796	0.3
101.02484	0.5
116.92904	0.7
137.80701	0.2
161.26491	0.2
196.10077	0.3
270.12253	0.2
336.34857	0.3
449.22971	0.4
450.23083	1.5
451.22119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71911	0.3
59.01385	0.8
60.02628	0.3
61.98834	100.0
69.81701	1.4
99.99460	0.3
109.02961	0.4
127.78596	0.4
295.72241	0.4
433.56757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98836	100.0
64.71970	0.3
71.01396	1.0
78.79459	0.3
83.37157	0.3
85.02952	0.5
87.00913	0.4
88.00409	0.4
88.98821	1.5
89.02473	0.7
94.49044	0.3
101.02463	0.7
120.12039	0.3
135.04549	0.5
147.22960	0.3
191.05638	0.7
203.13997	0.3
229.49066	0.3
242.31961	0.3
283.61182	0.4
320.06107	0.4
348.24966	0.4
510.30081	1.2
511.17841	0.5
511.28979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01387	10.3
61.98834	7.5
65.30277	0.6
67.38136	0.7
67.64066	0.7
69.29415	6.6
71.01391	10.2
71.66296	0.7
72.86818	0.7
73.02955	2.3
75.00874	2.0
77.19635	0.6
78.95914	2.2
83.01400	0.7
85.02966	2.5
87.00924	1.1
88.23273	0.7
89.02451	8.1
89.08789	0.7
93.03449	2.2
96.96029	5.0
96.96967	3.1
97.02921	0.9
99.00867	1.7
101.02447	5.1
109.02979	1.4
111.37090	0.8
113.02445	2.4
115.04040	0.9
119.03522	0.9
121.02950	2.8
122.03741	4.9
123.07981	0.6
125.02461	3.9
131.03522	1.4
134.03691	0.7
135.04555	0.7
136.01662	0.7
137.02428	1.1
137.06122	0.8
149.04562	2.2
150.90883	0.7
154.02623	1.1
173.04552	1.7
179.07104	7.1
181.08713	100.0
182.09027	1.7
191.05606	7.4
210.22392	0.8
219.04526	0.8
233.06593	3.7
237.51622	0.7
251.03699	0.8
263.03503	1.4
264.04099	0.9
265.04919	1.3
291.03061	1.7
293.04642	2.7
293.08801	18.3
319.02573	4.7
337.03387	2.0
349.25955	2.6
363.23669	0.8
463.80844	0.8
473.16672	2.7
475.18213	28.8
476.18631	1.9
511.13812	1.0
511.24142	1.6
511.31302	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	509.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01355	1.0
61.98825	1.1
65.09668	1.0
69.43398	7.4
73.38774	0.9
97.38354	1.0
108.41270	1.0
152.80206	0.9
157.09415	1.0
257.04263	1.2
355.94470	1.1
380.18280	1.0
409.34903	5.9
417.39188	1.0
427.32016	1.6
443.35269	34.2
444.35617	2.6
473.36441	100.0
474.36685	8.9
509.33063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53071	0.5
59.01384	2.0
61.98836	100.0
71.01405	1.4
71.56100	0.6
82.19835	0.5
89.02451	1.4
109.02979	1.1
111.00914	0.6
133.50511	0.6
177.01967	4.7
178.02327	2.4
191.05594	1.4
221.04552	1.8
223.62906	0.5
311.07706	0.7
312.08008	0.7
329.59171	0.6
473.13235	1.1
474.13629	1.9
482.54733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30785	0.4
54.13729	0.3
61.98836	100.0
62.54149	0.3
65.64222	0.3
69.71114	2.0
71.01395	0.4
78.95930	0.5
84.34320	0.3
110.50339	0.4
123.04539	0.9
135.04507	0.6
150.37898	0.4
153.05598	1.3
191.05687	0.6
196.98183	0.3
224.44348	0.3
271.06131	0.4
286.08594	0.7
293.09143	0.4
301.10901	1.1
338.67941	0.5
385.58197	0.4
447.14856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55046	0.6
50.98583	0.7
55.01885	1.0
57.03250	0.5
57.03450	6.4
58.00593	1.1
59.01382	24.4
61.98827	4.1
62.67386	0.7
66.39967	0.6
69.03465	1.3
71.01388	11.9
71.56845	1.4
72.99313	1.0
73.02946	2.4
75.00882	1.2
81.56104	0.6
83.01387	1.1
85.02933	2.7
85.06580	1.8
87.00896	5.6
87.80444	0.7
89.02450	8.3
95.01375	1.1
99.08163	2.0
101.02457	8.6
107.05012	0.9
109.02905	0.7
109.06590	1.9
113.02473	3.9
119.03492	2.5
125.09746	1.2
127.07603	0.8
128.59726	0.8
135.04527	3.9
147.91795	0.7
153.05540	1.3
161.04526	1.3
173.04509	1.1
181.05093	4.2
181.12314	1.9
191.05579	2.0
196.07327	2.6
197.15504	0.9
211.09775	4.6
235.18947	0.9
301.23932	0.9
329.23325	5.2
331.24811	1.0
331.52924	0.8
343.25012	0.7
347.24399	21.9
357.35199	0.8
509.29648	100.0
510.30017	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	509.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.6
61.98850	4.6
62.85741	4.9
66.06744	4.5
71.56001	7.1
78.62621	5.2
83.08067	5.0
96.05349	5.5
110.46034	5.3
238.05424	5.9
473.36398	100.0
474.36719	15.7
474.82120	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	509.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55046	0.6
50.98583	0.7
55.01885	1.0
57.03250	0.5
57.03450	6.4
58.00593	1.1
59.01382	24.4
61.98827	4.1
62.67386	0.7
66.39967	0.6
69.03465	1.3
71.01388	11.9
71.56845	1.4
72.99313	1.0
73.02946	2.4
75.00882	1.2
81.56104	0.6
83.01387	1.1
85.02933	2.7
85.06580	1.8
87.00896	5.6
87.80444	0.7
89.02450	8.3
95.01375	1.1
99.08163	2.0
101.02457	8.6
107.05012	0.9
109.02905	0.7
109.06590	1.9
113.02473	3.9
119.03492	2.5
125.09746	1.2
127.07603	0.8
128.59726	0.8
135.04527	3.9
147.91795	0.7
153.05540	1.3
161.04526	1.3
173.04509	1.1
181.05093	4.2
181.12314	1.9
191.05579	2.0
196.07327	2.6
197.15504	0.9
211.09775	4.6
235.18947	0.9
301.23932	0.9
329.23325	5.2
331.24811	1.0
331.52924	0.8
343.25012	0.7
347.24399	21.9
357.35199	0.8
509.29648	100.0
510.30017	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	509.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39313	0.3
53.20647	0.4
57.03448	1.4
58.00585	0.6
59.01385	18.8
61.98819	1.1
69.03432	0.4
69.53982	1.7
69.54404	0.9
70.86327	0.3
71.01392	9.4
72.46825	0.3
72.99287	0.7
73.02946	1.5
83.01392	0.9
83.43599	0.3
85.02959	2.4
85.06612	0.8
87.00888	0.8
87.04500	0.4
89.02447	7.3
93.03466	0.3
97.06588	1.0
99.04536	1.0
99.08173	2.2
101.02454	6.1
113.02449	3.1
113.06107	0.6
113.09734	1.4
115.07677	0.6
119.03516	1.8
129.09259	0.5
139.78992	0.4
141.09251	0.5
143.10800	4.7
153.12831	1.2
157.12375	1.1
167.10809	1.3
181.12366	0.5
191.05725	0.4
229.18117	1.2
285.20630	1.0
299.22263	1.0
301.23862	1.2
329.23322	5.9
330.23871	0.4
331.24905	1.3
347.24390	24.4
348.24765	0.7
389.25400	0.7
426.47913	0.4
509.29691	100.0
510.29929	6.3
512.53607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03451	2.6
58.00592	2.2
59.01385	100.0
69.24261	10.2
70.04774	1.1
71.01390	38.7
72.99306	5.3
73.02955	24.6
81.03454	1.4
83.01392	4.2
85.02958	16.6
87.00887	6.9
87.04523	58.6
89.02454	29.0
98.19928	2.4
99.00893	1.6
99.04549	2.2
101.02458	50.3
103.04020	18.3
111.00917	2.0
113.02499	6.8
115.04012	3.9
119.03508	12.0
125.02453	3.5
127.04009	3.0
131.03514	14.2
143.03505	12.7
144.14177	1.4
145.05057	3.6
149.04597	2.4
151.07635	1.4
161.04568	4.5
163.06142	70.8
164.06548	1.5
179.05693	2.2
205.07182	24.2
265.09186	6.0
288.54019	1.3
303.18240	1.4
421.20914	2.4
449.23840	20.4
509.25247	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	509.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01386	8.9
61.98832	3.3
65.03960	2.0
69.03442	1.4
70.01155	7.3
71.01365	2.1
73.02966	1.7
79.33643	1.5
80.02690	3.6
81.03455	4.5
83.05043	13.6
84.02179	2.2
93.03448	5.5
96.94862	1.6
97.02946	5.9
97.06588	3.1
98.20557	2.2
101.33608	1.8
107.05001	2.1
109.06593	20.1
110.03743	2.4
111.04511	11.2
121.06575	1.8
123.04547	1.8
123.08150	2.0
125.09713	6.3
135.08218	3.6
151.07513	1.7
163.11333	15.4
165.12848	4.1
171.10301	31.2
181.12297	3.5
185.11894	11.3
191.10796	2.2
201.11305	4.0
205.12253	2.5
207.10280	48.5
209.11839	100.0
210.12128	4.2
213.09137	1.9
217.12279	2.2
217.57954	1.6
219.10170	1.7
221.11760	3.2
223.13321	4.9
225.11333	19.4
227.12933	9.6
231.10143	3.3
235.13326	3.3
237.11488	2.1
245.11865	2.5
247.13475	2.3
249.11287	4.1
263.12790	7.4
265.14444	2.8
281.13812	4.6
299.14993	9.4
305.13913	1.8
319.15341	2.0
337.16522	3.5
355.17267	2.1
355.22781	3.3
373.24084	3.3
391.10959	1.7
399.21567	2.9
417.22815	3.4
463.26373	1.8
465.18869	1.8
465.25031	5.1
473.25385	15.6
473.31989	2.8
491.26587	22.3
492.26456	2.6
509.27502	54.5
510.27548	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	509.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.1
57.03454	5.7
57.60107	2.2
59.01385	79.4
61.98818	3.2
69.22791	2.2
71.01389	69.0
73.02958	13.0
74.15913	2.4
83.01384	8.5
85.02976	20.9
86.00056	2.4
87.00865	5.9
89.02456	55.0
95.01361	2.7
97.02973	2.9
99.00880	7.2
101.02457	47.7
102.10136	2.7
111.00893	5.9
113.02450	21.3
115.04046	4.2
119.03498	7.6
125.02419	4.6
131.03529	22.0
149.04570	35.5
149.05788	3.9
161.04544	8.5
163.07565	4.0
173.04590	5.5
191.05656	11.7
233.06595	5.1
268.35123	2.1
317.19757	24.8
323.46469	2.3
345.22711	6.0
366.62735	2.3
449.23969	100.0
450.23956	5.7
509.31119	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	509.1687
Annotation	Plumerubroside
Peak:m/z	Relative Intensity
59.01392	5.3
61.98839	14.4
71.01382	2.2
71.56112	0.9
73.02943	0.7
75.00882	2.4
78.95914	1.3
80.44996	0.6
85.01051	2.0
85.02952	8.7
85.73012	0.8
87.00890	1.9
89.02466	1.3
93.03477	4.2
96.96017	2.7
96.96962	2.1
99.04566	0.7
101.02441	1.1
109.02962	1.1
111.04504	1.9
113.02469	2.1
119.12618	0.6
127.03997	2.1
133.72906	0.7
134.03787	1.8
135.04517	2.9
143.03458	0.9
147.04536	0.7
149.06093	3.3
163.04077	0.7
173.04555	2.1
177.05583	5.9
179.03561	1.5
191.05626	53.8
192.05949	2.0
199.04327	0.8
207.21829	0.8
217.05231	3.8
221.04475	3.2
221.08087	1.3
243.06311	1.0
287.05688	12.1
288.87167	0.8
289.07437	0.9
300.06552	1.3
301.07391	1.9
311.07791	4.9
319.08463	0.7
329.10709	1.4
335.11597	2.6
379.10138	1.5
473.13205	2.4
509.16895	100.0
510.17087	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	509.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
58.00613	0.5
59.01388	8.4
61.98836	100.0
64.26826	0.4
71.01394	6.0
71.05026	0.6
71.56116	0.8
72.99342	0.6
73.02950	1.4
75.00885	1.3
78.95915	7.3
82.95415	0.6
83.01438	0.5
85.02968	3.0
87.00878	1.2
89.02443	4.9
93.03489	1.2
95.01391	0.7
96.96028	1.1
99.00871	0.9
101.02450	4.3
109.02969	0.6
113.02492	2.5
116.92895	1.8
119.03568	1.0
121.33636	0.5
123.00903	2.2
123.04533	0.8
125.02521	0.8
131.03499	1.5
135.84160	0.6
137.02489	1.0
138.03239	3.5
149.04625	1.7
151.00377	0.9
152.01106	0.6
153.05577	4.2
154.06049	0.5
161.04579	1.2
164.04845	0.9
167.03520	1.2
173.04587	1.1
181.05138	1.2
182.05869	0.7
191.05597	3.1
311.07639	1.0
314.12244	0.5
322.81561	0.5
347.15399	0.8
347.24701	0.7
418.21872	0.7
419.20157	1.0
449.19785	2.4
463.21732	0.7
501.05627	0.6
508.31458	1.2
509.14359	4.3
509.22482	0.9
509.29486	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	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76940	0.3
52.85310	0.4
55.01645	0.5
55.01884	3.8
57.03235	0.4
57.03457	4.1
58.00598	1.5
58.05349	0.3
59.01385	32.8
60.01715	0.4
67.01910	0.4
69.03476	0.7
71.01388	48.1
72.12305	0.4
72.99319	2.5
73.02955	14.2
75.00880	1.3
83.01392	7.8
85.02960	22.2
86.00091	0.6
86.03294	0.7
87.00881	2.7
89.02451	12.0
90.02824	0.5
95.01413	3.7
97.02982	1.3
99.00888	6.0
101.02452	37.7
102.02799	0.6
111.00887	2.5
113.02461	18.1
115.04037	0.5
115.07649	0.5
119.03526	3.8
125.02444	1.2
129.01936	1.2
131.03525	0.6
134.95779	0.4
135.50284	0.4
141.01961	0.4
143.03551	2.3
149.04561	0.5
159.02989	5.0
161.04570	15.6
162.04970	0.6
163.07681	0.4
164.01344	0.4
173.04538	0.4
173.06041	0.8
179.05623	1.1
179.07115	0.5
187.04120	0.4
187.07681	1.7
191.05646	0.6
201.05589	2.5
201.09253	1.0
202.06384	1.3
215.07156	0.4
229.08702	4.5
229.35625	0.4
230.09486	5.2
237.21051	0.4
251.23926	1.0
268.07205	0.4
297.24350	0.5
299.25821	1.1
345.30106	13.4
346.30536	0.5
409.14944	1.2
410.15845	2.3
507.35413	100.0
508.35779	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	507.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	32.2
61.98817	26.4
69.40295	100.0
77.62587	11.8
78.95904	17.2
79.19497	15.3
98.14799	12.6
102.83987	10.7
152.99557	33.6
164.07011	12.7
167.40279	10.7
279.23413	60.9
350.31573	15.1
463.34381	17.4
471.35712	59.3
507.32550	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03453	4.3
58.00584	1.1
59.01386	20.6
61.98806	0.6
69.03468	0.8
71.01390	38.4
71.58261	0.3
71.72451	0.4
72.99310	2.3
73.02557	0.8
73.02956	13.7
75.00882	1.2
81.03445	0.4
83.01399	9.0
85.02962	22.0
85.79977	0.4
86.00111	1.8
86.03308	0.5
87.00894	2.0
89.02449	5.6
92.64627	0.4
93.03495	0.7
94.44142	0.4
95.01410	2.5
97.02961	1.4
99.00891	5.3
101.02455	32.2
102.02764	0.5
111.00890	5.0
113.02465	13.9
114.68134	0.4
119.03519	1.6
125.02476	1.0
129.01929	1.4
131.03508	0.8
135.04552	0.7
137.55257	0.4
141.01924	0.8
143.03519	1.5
151.07576	0.4
158.03786	0.4
159.02991	3.2
161.04559	12.1
163.78989	0.3
173.04628	0.6
179.07338	0.4
187.03920	0.4
187.07675	1.0
191.05649	1.2
193.08606	0.4
201.05603	1.5
201.09332	0.4
202.06352	1.3
213.18663	1.3
229.08702	3.0
230.09476	3.3
299.26004	2.5
345.26526	0.6
345.30130	10.9
346.30618	0.7
375.24255	0.5
395.57007	0.4
409.15128	0.5
410.15915	1.6
447.22083	0.7
463.30783	0.6
507.35486	100.0
508.35760	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	507.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50668	4.3
59.01377	10.5
70.10318	17.3
88.03748	3.6
96.96024	7.6
124.67540	4.1
157.70192	3.8
194.45210	3.8
255.24966	3.8
282.77219	3.6
302.42126	4.2
409.31122	15.3
427.32034	14.2
441.33807	23.9
442.34042	6.8
445.37149	11.2
462.12152	4.4
465.26465	20.1
471.30228	100.0
472.30856	10.3
507.28653	12.5
507.36252	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	507.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	16.6
62.73350	10.5
68.16042	11.4
69.36151	64.1
69.36568	28.5
85.52325	9.6
96.53334	10.3
98.19950	21.0
114.11195	9.7
471.35416	100.0
507.37286	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69040	1.7
63.47105	1.6
68.93059	1.7
70.97152	4.2
71.45879	1.5
90.19336	1.7
102.52042	2.0
129.42831	1.7
145.74146	1.8
163.48817	1.6
170.59575	2.0
216.98807	1.8
343.93842	1.7
427.35947	2.6
471.34833	100.0
472.35046	6.4
481.11328	1.9
507.32907	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	507.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85417	3.0
59.01392	18.5
61.98832	7.2
64.87247	3.1
70.50858	11.3
89.02422	3.4
89.50291	2.8
96.95998	4.6
121.02945	11.2
122.03303	7.5
151.11281	17.3
213.45462	3.1
238.02332	3.3
275.20187	6.9
305.21140	3.5
409.30981	10.6
427.32062	11.9
439.32260	4.2
447.31131	3.8
471.30881	100.0
472.31412	8.9
507.30380	53.1
507.36871	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	507.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87443	0.3
55.01882	2.8
57.03456	2.6
58.00594	1.1
59.01385	22.0
64.63222	0.3
69.03458	0.9
69.29014	3.5
71.01388	35.8
72.99299	1.4
73.02952	17.1
73.03300	0.2
75.00867	1.2
78.94273	0.3
81.03477	0.5
83.01392	6.1
85.02959	17.2
86.00088	1.0
87.00890	2.0
89.02451	10.8
93.03458	0.4
95.01393	3.1
97.02945	2.3
99.00892	7.8
101.02451	30.7
102.02766	0.9
102.09901	0.3
111.00883	1.5
113.02457	14.1
115.03996	1.0
119.03488	1.4
125.02445	2.6
129.01927	1.2
131.03519	2.6
133.02968	1.3
135.04527	1.1
143.03534	1.9
145.58197	0.4
145.80894	0.4
149.04515	1.4
159.02983	3.1
161.02533	4.4
161.04562	13.2
173.04520	1.9
179.03455	0.9
191.05594	1.1
211.16965	0.5
233.06662	1.4
255.19682	0.5
268.38901	0.4
293.08881	1.1
298.50983	0.4
345.22897	0.5
350.20392	0.4
353.08850	0.9
375.23892	36.8
376.24380	1.9
419.22925	2.7
507.28104	100.0
508.28409	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65366	1.8
59.01390	37.5
61.98834	2.1
71.01387	30.1
73.02969	10.1
83.01390	3.8
85.02971	14.6
87.00851	2.3
89.02456	12.4
96.96070	2.1
98.20644	5.4
99.00903	6.5
101.02467	24.0
113.02469	10.5
121.92150	1.5
125.02472	3.1
131.03514	3.1
138.49165	1.9
139.82063	1.8
143.03535	1.5
143.10788	1.8
149.04572	2.7
159.03065	2.6
160.36510	1.7
161.04553	9.1
162.16064	1.7
165.38748	1.8
166.73866	1.5
191.05627	4.8
195.51584	1.6
219.91751	1.7
251.00827	1.8
301.65472	1.9
311.91687	1.7
315.18057	10.5
316.76660	1.7
345.26471	2.4
447.22339	100.0
448.22601	6.4
507.31122	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	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.6
57.03454	4.4
57.87604	0.2
58.00605	1.9
59.01385	57.5
60.01718	0.3
68.99833	0.4
69.03455	2.1
69.20957	1.2
69.21378	1.5
71.01388	71.0
72.99321	3.4
73.02953	19.7
73.03566	0.4
74.08658	0.3
75.00890	1.0
81.03463	0.8
83.01392	11.0
84.01734	0.3
84.02198	0.3
85.02956	25.8
86.00107	0.7
87.00888	3.9
89.02452	36.0
90.02812	0.4
90.21416	0.3
93.03455	0.4
95.01396	3.2
97.02975	3.1
98.20695	0.6
99.00272	0.5
99.00893	6.7
101.02451	55.7
102.02800	0.7
109.02941	0.3
111.00890	5.7
113.02460	20.2
114.02817	0.4
115.04010	1.5
117.74431	0.3
119.03513	2.6
125.02461	5.3
127.04071	0.6
129.01988	1.5
131.03516	20.8
132.03818	0.3
137.02434	0.7
139.03984	0.3
141.01852	0.4
143.03514	4.2
149.04568	10.1
159.03014	2.9
161.04572	16.7
173.04539	0.9
179.05557	0.6
187.06232	0.5
191.05644	2.0
197.04630	0.3
203.05598	0.6
215.05632	1.7
224.12704	0.3
233.06689	5.6
267.46359	0.3
293.08789	1.3
357.22833	1.2
375.23898	52.9
376.24179	3.0
419.22897	2.8
462.85797	0.3
507.28110	100.0
508.28485	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	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.00597	1.1
59.01386	64.4
61.52589	1.1
61.98822	3.8
69.62142	3.8
69.62556	2.9
71.01394	20.5
72.99310	1.9
73.02979	5.0
75.00860	1.9
76.16175	1.0
77.65771	0.9
81.03454	1.8
83.01405	2.6
85.02972	6.6
87.00898	1.9
89.02449	16.8
89.84845	1.1
95.01363	1.6
96.96021	4.7
96.96989	1.3
98.19936	1.4
99.00877	2.6
99.04530	67.1
100.04887	1.4
101.02451	32.7
101.06077	3.1
108.02150	1.2
113.02464	9.4
113.06065	1.3
119.03526	9.6
125.02462	26.2
135.04567	1.5
138.01968	3.9
138.05612	4.0
139.05959	1.6
143.03496	4.4
144.34230	1.2
147.08234	1.7
159.03026	1.1
161.04541	7.6
165.09175	1.5
167.10812	1.4
179.05608	1.8
183.10344	1.3
191.05609	2.6
201.11287	3.9
261.13483	2.0
305.69217	1.2
326.50806	1.0
327.14468	4.3
331.98618	1.0
339.35049	1.2
363.16644	59.9
364.16919	4.4
405.17667	3.6
445.20657	2.1
447.17355	2.4
447.22592	2.2
507.20840	27.1
508.21146	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	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.1
57.03453	100.0
59.01386	81.8
61.98821	5.4
66.36134	1.3
71.01388	31.2
72.99325	1.6
73.02962	10.8
75.00887	2.7
83.01389	3.8
85.02945	12.5
87.00902	2.5
89.02455	8.4
93.03437	2.5
95.01419	3.6
97.02917	1.7
98.20665	3.2
99.00909	3.3
99.04530	93.9
100.04878	2.3
101.02454	38.6
113.02468	13.9
119.03505	2.8
123.04524	1.3
125.02474	29.7
129.01904	1.3
135.04550	1.7
139.07666	1.3
143.03510	2.9
149.04523	1.7
152.03497	1.3
159.02933	3.3
161.04544	11.6
165.05728	1.3
173.04561	3.9
179.03435	1.3
179.05617	2.0
191.05615	4.5
220.03029	1.5
225.11290	2.1
237.42590	1.5
304.68793	1.4
363.16656	17.8
405.17706	6.4
445.20615	1.5
447.18481	2.3
507.20807	18.6
507.28058	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	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45289	1.6
55.01881	3.9
55.04758	1.8
57.03443	3.3
58.00592	4.1
59.01387	97.1
60.92377	1.6
67.01889	2.0
71.01389	74.2
71.57090	2.7
72.99300	5.9
73.02961	19.0
74.44729	1.9
83.01389	5.8
83.05014	2.2
84.88552	1.5
85.02953	19.3
86.00098	2.6
87.00888	18.0
89.02457	100.0
93.03456	3.4
95.05037	6.5
97.02962	1.5
97.06575	3.6
99.00900	3.7
101.02458	45.9
107.05035	7.1
113.02467	17.4
115.07656	5.5
119.03532	4.3
119.15325	1.5
121.02893	1.4
122.82544	1.4
125.02478	3.1
125.40340	1.7
131.02545	3.5
131.03511	56.4
135.04637	2.3
139.11334	2.3
149.04565	74.4
149.09770	2.1
151.11299	45.1
161.02448	4.1
161.04547	5.7
164.08484	2.0
169.12363	4.6
170.61263	1.7
172.18152	1.6
173.04588	2.6
174.93504	1.6
177.09233	7.2
179.03696	1.7
185.11809	5.0
191.05637	32.0
193.12370	5.2
195.03534	1.5
195.10275	95.1
196.10788	2.3
211.13454	3.1
213.11311	25.4
255.12300	2.3
311.09979	2.4
345.22925	2.7
375.23853	11.2
393.78421	1.7
507.15692	1.9
507.20834	20.5
507.28067	44.2
508.28568	4.8
530.07062	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01382	100.0
60.01746	1.3
61.98837	6.9
70.53050	2.9
70.53378	2.1
71.01385	10.4
73.02959	2.4
75.00848	1.3
85.02964	3.1
87.00894	1.8
89.02447	7.8
93.03469	2.1
95.01404	1.4
96.96035	1.6
97.63243	1.4
99.04515	2.3
101.02453	5.3
113.02461	3.7
119.03522	1.8
120.33233	1.3
125.02515	1.7
133.05092	2.5
137.02419	1.7
149.04626	1.5
149.06111	1.8
151.04028	2.6
153.35332	1.3
161.04562	9.3
173.04535	2.0
179.05621	2.4
181.05067	33.7
182.05382	1.6
191.05600	4.2
196.07410	39.2
211.09775	81.1
212.10132	3.2
235.08224	3.8
282.02902	1.4
447.18546	5.0
507.19913	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.4
59.01384	17.7
65.63068	1.0
69.65482	2.2
69.65894	5.4
71.01389	8.1
72.99304	1.6
73.02938	4.1
78.95912	48.7
79.95747	2.7
85.02939	3.8
89.02443	6.8
96.96001	100.0
96.96953	81.0
101.02441	6.9
113.02420	3.6
119.03445	1.5
120.60515	1.1
131.03493	2.6
135.04489	2.0
136.51387	1.0
148.40733	1.0
149.04541	3.0
151.11266	2.7
161.02438	1.6
161.04535	1.3
161.79005	1.1
173.04509	1.9
179.03421	1.2
181.73077	1.0
191.05577	4.2
195.10248	3.0
304.04520	1.1
327.21899	2.9
345.22754	2.2
447.26147	1.8
465.26657	1.4
489.26776	1.3
507.15854	1.6
507.27930	36.8
508.28149	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	506.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98835	100.0
65.78474	1.8
69.83457	9.3
73.64613	1.8
90.20657	1.7
126.38541	2.3
266.37552	2.4
382.87903	2.1
443.37311	2.7
470.33545	4.6
471.35229	2.9
507.30734	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	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90209	1.0
59.01377	1.6
60.07351	1.0
62.25462	0.9
67.94773	1.1
70.26019	1.1
71.01381	2.0
71.55623	1.1
72.99308	1.1
74.39747	1.0
75.00902	3.2
87.00883	23.4
88.49917	1.0
94.35555	1.1
99.00897	3.9
100.16098	1.0
100.66531	1.1
101.02467	1.5
103.22261	1.1
105.01937	24.7
106.28977	1.2
116.16637	1.2
127.18092	1.0
144.75668	1.3
147.03041	5.3
165.04054	100.0
340.65793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	2.8
59.01385	36.5
60.21165	1.2
67.98319	1.1
69.03464	1.3
69.32843	6.8
69.33268	4.5
71.01387	32.0
71.26594	1.3
72.01748	2.8
72.99313	1.4
73.01817	1.4
73.02947	10.0
74.03284	1.1
75.00897	1.2
78.08775	1.3
78.95914	40.9
79.95756	3.0
80.10152	1.1
83.01385	4.3
84.01734	1.4
85.02956	9.9
87.00887	2.9
89.02449	14.2
90.02802	1.8
96.16164	1.1
96.96016	100.0
96.96970	79.3
97.02970	1.7
99.00883	3.3
101.02453	20.1
102.02782	4.1
105.91637	1.2
111.00928	2.6
113.02479	8.4
114.02777	1.3
119.03480	2.4
123.92873	1.3
125.02417	1.6
131.03485	5.3
132.03792	2.1
135.04517	3.0
135.51558	1.2
137.00970	1.2
137.03650	1.5
143.03491	1.3
149.02490	2.2
149.04556	4.1
161.02489	2.0
161.04572	5.0
162.04906	2.3
173.04503	2.5
179.03410	1.9
191.05624	4.8
195.10176	1.8
233.06735	1.8
264.86273	1.2
270.99197	1.1
327.21704	3.5
345.22742	5.1
373.22394	2.6
374.22571	6.0
375.22992	5.5
447.25778	1.7
477.19101	2.5
506.26978	4.9
507.27759	81.5
508.28110	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.4
57.03450	3.9
58.00597	1.9
59.01386	100.0
60.01729	0.7
69.03463	0.7
71.01392	59.2
72.01745	0.7
72.99323	2.8
73.02956	13.4
75.00892	1.1
83.01402	7.4
85.02958	25.8
85.03472	1.3
87.00884	2.7
89.02454	22.5
93.03486	1.0
93.07125	2.6
95.01389	4.6
97.02978	0.6
97.93970	0.5
98.19910	1.9
99.00884	6.4
99.04565	0.7
101.02457	37.1
111.00907	2.3
113.02461	25.2
113.03255	0.9
119.03509	9.4
125.02448	1.2
127.11279	0.5
129.02005	0.8
131.03514	0.9
143.03539	3.0
159.02994	5.3
161.04578	19.9
170.94388	0.5
173.04608	0.8
179.05655	2.4
191.05679	3.1
209.11812	0.6
213.18599	4.8
223.98631	0.7
301.27695	0.7
343.28534	8.8
375.23907	4.2
386.64368	0.7
390.74921	0.6
445.31802	8.5
446.32236	0.8
446.54929	0.6
463.32916	6.6
487.32809	0.7
505.33929	75.6
506.34195	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	505.3547
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
56.02473	0.7
57.03437	2.2
59.01378	8.8
61.98849	1.1
69.43771	6.1
71.01357	1.1
71.05025	3.0
71.37869	0.8
78.95901	3.0
83.05054	0.8
87.00847	0.9
93.03471	0.9
96.96001	1.1
97.06572	1.4
111.08165	2.7
125.09713	1.4
135.04469	1.1
137.09703	2.9
139.11307	13.6
149.34976	0.8
190.02698	3.8
191.05603	1.1
239.16486	1.8
247.17101	1.3
258.96344	1.0
261.18604	1.6
316.67487	0.9
401.30597	2.7
404.38321	0.9
407.10934	1.0
411.32715	6.8
427.32205	1.5
441.33365	1.1
443.35440	29.3
444.35757	2.3
461.36694	2.1
473.32748	5.6
475.33478	1.2
487.34402	1.4
505.35663	100.0
506.36194	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	505.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62004	0.5
55.01881	4.8
55.03275	0.4
57.03453	3.9
58.00587	1.1
59.01387	21.1
62.67867	0.5
67.39655	0.4
67.84894	0.4
68.99837	0.6
69.03454	1.2
69.24600	1.9
69.25033	2.1
70.46700	0.5
71.01389	33.8
72.99333	1.6
73.02957	13.6
75.00871	0.8
83.01393	8.2
85.02957	21.2
86.00105	0.9
87.00872	2.6
89.02451	4.4
93.07102	3.7
95.01397	2.8
97.02993	0.7
99.00898	5.8
101.02452	32.8
111.00900	4.4
113.02459	13.3
119.03542	0.6
125.02467	1.5
129.01923	1.3
131.03529	0.8
141.02008	0.8
143.03513	1.5
149.04597	0.8
159.02968	3.3
161.04567	10.7
185.05916	0.4
191.05630	0.7
211.17029	0.8
213.18646	5.1
343.28616	3.9
375.23911	14.7
445.31644	1.5
447.35309	0.5
475.32742	1.5
487.32343	0.8
505.33881	100.0
506.34253	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
57.06575	3.7
59.01382	27.5
61.98839	5.8
71.08834	7.8
78.95916	13.2
87.01108	4.1
87.22762	3.5
93.07412	4.2
96.96013	7.8
102.68375	3.7
103.03994	19.4
110.98839	3.8
125.02486	5.5
152.99597	10.3
194.13139	4.2
195.13820	3.9
239.16582	5.7
277.21671	19.1
280.23987	5.0
355.43909	4.8
401.30838	5.0
423.32684	35.5
443.35291	4.0
457.33041	5.1
469.33377	100.0
470.33505	11.0
487.34293	5.7
505.24988	6.3
505.36099	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95625	1.4
59.01384	14.4
61.98834	2.9
69.47882	4.2
69.48288	5.7
72.79126	1.4
75.33071	1.6
78.95919	15.2
86.33812	1.8
92.77306	1.6
93.03465	2.1
96.96036	2.4
97.06620	1.7
98.19901	2.6
127.00384	1.6
135.04507	2.2
152.99590	8.8
163.40289	1.5
168.04321	2.3
186.80475	1.6
191.05534	1.9
223.13449	2.2
235.65187	1.7
242.08066	1.9
277.21750	35.7
278.22266	4.0
279.23300	36.2
280.23645	100.0
281.24042	3.3
293.21194	1.9
461.32532	2.7
469.33643	4.5
475.34085	2.2
487.34070	4.2
505.25592	3.7
505.35059	25.1
506.36032	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.9
61.98832	37.2
70.11246	13.1
78.95883	4.5
85.32167	4.2
94.95002	3.9
94.95734	3.7
96.96032	9.3
98.20601	4.6
112.03263	4.2
151.83678	4.2
161.87132	4.2
164.54149	3.7
245.23622	4.1
258.55637	4.5
329.70996	4.1
356.38507	4.5
366.99304	4.9
407.33163	12.5
425.34290	65.3
426.34546	5.9
438.97623	4.8
449.92252	4.1
469.26913	6.3
469.33292	100.0
470.33484	6.9
505.36444	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35345	5.2
59.01383	41.5
61.63489	6.2
71.14984	9.0
78.95914	36.4
85.35730	5.7
86.98936	5.3
93.03468	8.1
96.96013	9.9
121.02979	12.6
123.60521	6.4
129.61647	6.0
135.04530	11.1
135.86736	5.2
139.97903	5.7
143.46956	5.9
148.52299	5.3
149.18307	5.5
152.99629	9.1
190.02716	19.4
191.05620	8.8
240.64305	5.6
408.11777	11.3
461.31891	6.3
469.33182	15.6
487.34192	8.1
505.34781	100.0
533.64349	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	505.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97660	0.6
55.01878	6.0
57.03454	5.1
58.00597	2.6
59.01384	71.1
62.61440	0.6
65.47858	0.6
67.01920	0.7
69.03465	2.5
69.49786	4.7
71.01389	89.3
72.99324	3.6
73.02953	22.2
75.00888	0.9
81.03476	1.5
83.01401	12.5
85.02960	32.2
86.00099	0.9
86.03277	0.6
87.00896	4.8
89.02453	50.9
93.03468	2.0
95.01405	4.2
97.02971	4.5
99.00882	8.0
101.02454	62.6
111.00891	8.0
113.02459	26.2
115.04021	1.5
118.49285	0.6
119.03499	3.7
125.02451	7.6
127.04014	1.2
129.01985	1.5
131.03517	27.8
137.02512	3.1
143.03520	5.0
149.02612	0.7
149.04568	17.2
149.05719	1.3
159.02989	4.0
161.04575	26.4
162.04916	0.7
179.05630	0.8
187.06081	0.8
191.05630	4.8
211.17128	2.1
215.05627	2.0
223.06157	0.7
233.06662	7.2
293.08813	3.4
325.19717	0.7
373.22321	45.3
374.22705	3.4
405.15311	0.8
505.14108	3.3
505.26596	100.0
506.26910	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	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89739	0.4
55.01884	5.7
57.03456	5.6
57.13349	0.5
58.00603	2.6
59.01386	74.5
60.01717	0.6
68.99823	0.7
69.03448	2.4
71.01389	100.0
72.01752	0.6
72.99311	4.0
73.02956	22.9
75.00880	1.5
77.54697	0.5
81.03468	2.2
83.01395	13.1
84.02183	0.8
85.02962	31.7
86.00105	0.8
86.03299	0.9
87.00893	4.9
88.67075	0.4
89.02456	51.0
93.03482	1.7
95.01388	4.8
97.02974	5.5
99.00892	9.6
99.04572	0.5
101.02456	64.2
101.46413	0.4
102.02794	0.8
107.01380	0.6
109.02868	0.4
111.00893	8.5
113.02461	29.1
114.02814	0.6
115.04055	2.2
119.03513	3.3
125.02466	7.1
127.04028	0.7
129.01947	1.7
131.03519	29.4
137.02449	2.7
139.04001	0.6
139.11203	0.5
143.03511	5.1
149.02589	0.8
149.04573	18.9
154.91663	0.5
159.03024	4.3
161.04575	28.2
173.04536	1.0
179.05638	1.1
187.06175	0.9
191.05655	3.7
203.05669	0.7
205.03485	0.6
208.03876	0.9
211.17136	2.3
215.05557	1.3
223.06201	1.3
229.27754	0.5
233.06696	7.4
281.06580	1.1
293.08847	4.2
343.11923	1.2
355.21399	1.2
373.22327	44.7
374.22501	2.6
425.52466	0.6
466.07248	0.5
505.14005	3.4
505.26605	95.1
506.26852	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	505.1567
Annotation	Allobetonicoside
Peak:m/z	Relative Intensity
59.01382	10.0
66.45765	0.4
69.15510	0.4
70.85352	0.9
71.01406	1.1
89.02435	0.7
93.03470	0.6
95.05056	0.5
96.96037	0.8
107.05007	0.5
108.02074	0.4
109.02962	5.6
109.06599	3.8
119.05050	4.4
121.02973	5.4
122.03728	1.2
135.04533	5.2
136.52585	0.4
137.06096	29.8
138.06422	0.7
149.83553	0.5
153.05536	0.5
161.02440	0.6
163.06133	0.6
168.88107	0.5
181.05080	100.0
182.05400	2.5
248.81436	0.4
255.10353	2.1
255.57278	0.4
294.04645	0.4
343.10345	51.8
344.10748	2.7
505.15344	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03435	2.3
58.00579	1.4
58.28999	0.5
59.01385	37.3
60.55610	0.5
61.98832	0.7
63.03692	0.5
64.78159	0.6
69.03447	1.0
71.01385	27.4
71.57238	0.7
72.99290	1.7
73.02953	7.7
75.00842	0.7
78.19918	0.5
80.50726	0.5
81.03439	0.6
83.01399	3.7
85.02958	10.7
86.00095	0.9
87.00887	4.1
87.04514	0.6
88.98776	1.0
89.02450	14.8
93.03477	0.8
93.04045	0.5
95.01363	1.4
96.96000	1.3
96.96969	0.7
97.02924	1.6
97.06591	0.6
99.00860	2.1
101.02448	17.6
109.02921	0.9
111.00843	1.9
113.01837	0.6
113.02454	5.7
115.04014	0.6
119.03481	1.6
121.02905	1.0
125.02426	1.7
131.02704	0.6
131.03514	7.1
135.04544	1.4
136.01628	0.7
137.06062	0.7
143.03497	1.0
148.15875	0.6
149.04482	1.9
151.03961	1.3
152.01099	0.8
159.02994	0.7
161.02425	0.9
161.04510	2.2
165.01874	0.7
167.03432	2.1
171.10239	0.9
173.04489	1.3
174.97223	1.0
177.01869	0.6
179.03424	0.9
180.07756	0.7
181.04997	1.6
181.08740	0.5
190.02711	0.5
191.05594	4.4
193.12204	0.8
201.11266	1.5
205.04926	0.5
211.13350	1.3
227.07054	0.8
237.05592	0.7
241.05064	0.9
250.06227	0.6
264.07858	1.1
271.02469	1.1
280.07346	0.9
295.09543	2.0
300.02533	2.5
325.10574	0.8
334.85684	0.5
343.21210	0.9
355.11960	2.8
373.18536	4.6
505.22665	100.0
506.23044	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	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01385	31.3
60.99318	10.2
61.98824	10.5
66.83540	1.7
69.63567	11.5
71.01399	12.8
72.99279	2.5
73.02946	2.4
73.36401	1.6
74.32185	1.8
84.77463	2.1
85.02953	6.0
87.00874	5.5
88.00414	8.3
88.98816	66.0
89.02452	100.0
90.02759	2.3
91.12033	1.9
93.03441	3.3
93.93712	1.7
101.02455	6.1
113.02457	5.2
119.03485	3.0
135.04523	1.7
136.99965	2.0
148.91019	2.8
155.84718	1.9
161.04582	3.0
170.38286	1.8
173.04488	5.3
179.05571	3.4
188.94141	1.9
191.05618	8.8
209.08040	2.2
236.39929	1.8
246.14133	1.9
255.10275	2.5
269.14832	2.1
345.53107	2.0
445.17645	2.2
505.05685	4.6
505.13147	2.5
505.26611	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	505.1357
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01880	0.3
57.03434	0.5
59.01383	5.4
61.98822	1.0
62.30458	0.3
63.02405	2.5
65.00330	6.0
69.22807	3.0
69.93685	0.3
70.12512	0.3
71.01383	3.8
73.02958	1.1
83.01382	4.6
85.02965	1.5
87.00886	0.8
89.02451	3.2
93.03458	0.6
95.01347	0.4
97.02942	0.4
99.00899	0.4
101.02457	2.5
107.01399	11.7
108.02197	5.0
113.02456	1.4
121.03037	0.4
123.04533	2.2
125.02464	1.4
131.03490	1.1
134.03755	20.3
135.00896	0.5
135.04527	1.0
136.01656	2.2
137.02446	0.5
143.03513	0.7
149.02460	0.5
149.04634	1.0
149.06090	13.3
151.00386	37.0
152.00841	0.8
160.01608	0.3
161.02513	0.4
161.04552	0.7
164.01186	3.7
165.01944	1.9
169.01434	1.3
173.04610	0.7
174.03215	0.6
175.00363	1.0
175.03940	0.6
177.01970	4.6
179.03503	0.5
181.08702	0.4
183.68115	0.3
184.92569	0.3
191.05626	2.1
193.01453	1.0
196.00102	2.6
199.03990	0.9
201.01933	0.4
242.05794	0.7
257.08102	0.6
285.03836	0.5
286.04868	2.0
301.07190	100.0
302.07550	5.5
325.07220	0.6
343.08295	2.5
344.08438	0.3
373.22400	0.7
422.03595	0.4
434.50189	0.3
445.20908	0.6
505.14163	2.4
505.26749	2.8
505.33679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.4
59.01380	10.3
60.99313	14.1
61.98827	6.9
70.38150	1.3
71.01379	5.2
73.02940	2.6
78.53148	1.4
87.00885	2.8
88.00413	5.1
88.98811	100.0
89.02448	43.7
93.03467	1.9
96.96029	2.2
98.19867	3.0
99.00877	1.5
101.02446	3.8
106.34975	1.3
107.46969	1.5
109.02979	2.4
113.02454	2.4
119.03474	2.2
133.02911	1.5
135.04504	1.7
152.03522	4.4
161.02408	2.1
173.04584	1.8
191.05614	4.7
193.05124	1.2
255.10277	2.7
299.09274	2.4
331.17770	1.7
359.15002	3.7
423.34995	1.5
505.05780	1.7
505.25974	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	505.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31508	0.5
59.01372	1.1
60.20196	0.5
71.01060	0.5
71.01392	3.1
74.29949	0.5
77.12057	0.5
77.12493	0.5
79.18695	0.5
80.09272	0.5
83.70751	0.5
93.03470	3.9
96.96005	0.9
108.02186	9.8
109.02966	18.1
115.00378	4.4
121.02946	1.3
122.03769	3.9
123.04559	1.2
124.01719	0.8
133.02950	1.8
133.06548	0.6
135.04547	1.7
137.02483	0.8
145.06609	1.3
147.04466	0.7
148.05278	0.9
149.06050	1.1
161.06082	2.6
179.03500	0.6
213.09332	0.9
225.05774	0.7
226.06377	13.4
226.08684	0.7
227.07147	19.7
228.07484	1.2
239.07256	0.7
253.08730	9.7
254.09303	1.2
255.10292	100.0
256.10620	5.1
289.93494	0.6
299.09262	4.7
310.69275	0.6
343.08221	5.5
375.92963	0.6
389.12433	1.5
463.72836	0.7
505.13583	44.3
506.13873	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	503.3747
Annotation	Nebrosteroid G
Peak:m/z	Relative Intensity
57.03436	1.7
57.49051	1.3
59.01387	100.0
59.25206	1.3
61.98819	4.2
64.90726	1.4
71.05019	2.1
71.56063	1.2
71.56472	1.8
91.47746	1.3
98.65871	1.1
102.69938	1.2
125.02448	2.5
140.91609	1.4
352.57391	1.5
415.35971	2.1
423.33160	1.5
425.30383	2.2
427.32050	2.6
441.33505	6.7
443.35434	41.5
444.35815	2.7
456.75107	1.6
456.81302	1.6
459.35007	6.8
485.32327	3.4
503.37131	87.3
504.38580	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	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
61.98824	0.7
70.18742	1.5
78.95911	1.8
93.03462	0.9
98.20558	0.6
108.74207	0.3
121.02968	100.0
122.03307	1.8
135.04584	0.5
152.99591	0.6
177.04704	0.4
179.04977	0.4
180.05853	1.0
181.06628	3.5
181.83826	0.4
197.06131	2.4
207.04539	1.3
207.08203	0.5
223.03958	0.5
225.05591	2.3
251.07120	0.5
257.09790	1.1
285.09308	0.5
311.09265	0.4
313.07224	5.5
357.06308	1.1
383.07602	1.1
417.09824	10.5
418.10120	0.7
461.12808	0.6
486.33084	1.1
487.34070	0.6
504.33936	3.7
505.11459	8.6
505.35199	3.4
506.11880	0.8
515.80872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24323	3.9
61.98829	13.6
70.82235	7.9
83.05080	3.3
91.34637	3.2
99.04531	100.0
143.03516	91.0
178.47893	3.3
198.78796	4.0
217.92114	4.1
264.39706	3.3
297.68903	4.6
341.73459	4.3
346.10165	3.6
372.55811	3.4
503.36771	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	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
56.58578	0.5
59.01390	9.7
59.18096	0.5
68.34657	0.5
70.66642	0.5
70.77010	1.2
71.05022	4.4
73.32222	0.5
75.30614	0.5
94.31489	0.5
97.06623	0.6
99.04510	2.0
176.13881	0.6
191.14415	2.0
193.15996	2.4
201.31746	0.5
237.14972	2.1
261.18433	0.7
265.18207	0.5
293.31113	0.6
305.21255	2.8
359.29593	0.8
379.30292	1.9
395.29666	1.3
397.30908	0.6
411.32730	1.5
423.32834	1.1
425.30618	10.5
426.30978	1.3
441.33875	5.6
443.31705	9.4
444.31924	0.9
457.33337	0.6
459.35159	5.8
467.32230	0.9
469.33163	0.6
473.32919	0.6
485.32843	2.5
503.33890	100.0
504.34180	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03445	0.9
58.00598	3.1
58.09169	0.3
59.01384	86.7
60.01713	0.5
61.98862	0.4
64.24417	0.4
69.03474	0.9
69.25385	1.9
69.25807	1.6
70.09598	0.4
71.01387	67.8
72.01721	0.9
72.99312	4.1
73.02952	11.0
73.60048	0.3
75.00858	0.4
78.95898	0.4
83.01387	2.7
85.02955	10.2
86.00098	1.3
86.30930	0.4
87.00887	7.3
89.02451	100.0
90.02799	0.6
93.03464	1.4
95.01404	0.6
97.02966	0.5
99.00899	1.5
101.02448	43.2
113.02459	13.7
119.03505	5.7
125.02465	2.1
131.03510	40.1
132.03860	0.6
143.03511	0.9
145.84613	0.4
149.04565	75.2
150.04886	1.2
161.02463	0.6
161.04587	2.7
168.36986	0.4
173.04553	3.6
174.08754	0.4
179.05569	0.6
181.84818	0.4
191.05621	21.4
251.07759	0.9
281.08521	0.5
293.08682	0.5
311.09784	0.7
341.08838	0.8
371.20618	3.2
493.22177	0.4
503.25104	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40579	1.6
55.01888	2.9
57.03422	2.7
59.01384	100.0
60.01704	2.6
71.01390	55.0
72.99306	2.9
73.02951	14.5
78.91879	3.0
78.95921	2.8
83.01386	8.1
83.05054	2.8
85.02963	16.7
87.00914	2.9
88.85871	1.7
89.02451	35.0
95.01347	2.9
97.02957	4.4
99.00881	4.4
101.02457	38.5
111.00871	4.8
113.02462	16.8
119.03509	3.4
125.02462	3.9
131.03506	11.8
136.42461	1.7
143.03520	3.9
146.38924	1.7
149.04568	15.1
149.86139	1.7
159.03050	2.2
161.04572	11.6
171.10339	1.8
173.04562	4.5
179.05693	2.1
191.05585	5.3
224.84616	1.8
229.52133	1.8
233.06624	2.0
293.08731	2.5
329.23300	5.8
371.20831	16.9
399.23972	5.4
417.24857	5.0
439.27942	1.8
503.24753	49.0
503.31528	5.8
504.25552	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	503.2499
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
53.90067	0.4
55.01886	3.7
57.03455	7.9
58.00602	3.9
59.01384	80.6
60.01718	0.7
67.01887	0.7
68.70489	0.3
68.99821	0.4
69.03468	3.2
69.29501	2.1
69.29924	1.1
71.01388	100.0
72.01706	0.6
72.99316	4.9
73.02955	21.2
75.00897	0.9
81.03455	1.7
83.01396	11.7
83.05045	0.8
83.63708	0.3
84.02171	0.7
85.02959	28.0
86.00109	0.6
86.03275	0.4
87.00886	6.0
89.02452	78.6
90.02780	0.8
93.39993	0.3
95.01395	3.4
97.02972	4.3
99.00887	7.1
99.04485	0.4
100.29178	0.4
101.02452	58.6
102.02810	0.8
108.84419	0.3
109.02947	0.6
111.00896	8.2
111.04534	0.5
113.02464	27.8
115.04021	2.3
119.03524	6.3
121.02973	0.5
123.08159	1.3
125.02459	10.0
127.04018	0.7
129.01945	1.1
131.03517	37.3
132.03879	0.5
133.02980	7.5
133.03967	0.3
135.04546	5.8
137.02429	0.5
137.09744	0.9
139.04048	0.6
139.11354	0.5
143.03496	5.7
146.03761	2.7
149.04567	43.5
149.09779	0.6
150.04805	0.3
155.61549	0.4
159.02994	2.9
161.02437	19.6
161.04553	21.5
161.05911	0.9
162.02795	0.6
162.76483	0.4
164.04770	3.0
165.12827	0.4
167.03496	0.6
173.04568	0.7
177.05560	0.6
177.63028	0.4
179.03526	3.1
179.05594	2.1
179.07150	2.7
187.06134	0.5
189.05568	0.8
191.05623	11.1
192.05954	0.4
209.15471	6.9
210.15814	0.6
215.05554	1.2
221.04581	0.9
233.06653	9.2
267.16003	0.5
280.05875	0.6
293.08780	4.7
311.09613	0.4
323.07715	9.1
333.94733	0.4
353.19659	2.0
354.20337	0.4
371.20758	21.8
372.21091	1.5
503.15775	9.2
503.24976	65.6
504.15820	0.8
504.25357	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64637	1.4
55.01878	2.3
57.03435	5.9
57.77514	1.3
58.00583	2.4
59.01385	90.3
61.98811	3.9
69.03454	3.9
71.01385	100.0
71.05016	3.4
71.57594	1.9
72.99287	6.5
73.02944	18.3
75.00857	1.8
76.03074	1.3
78.95917	7.8
80.91699	13.6
81.03448	2.8
83.01397	9.6
85.02461	1.7
85.02959	26.2
87.00887	7.8
88.33758	1.3
88.49660	1.4
89.02451	72.0
93.03455	3.4
94.67700	1.5
95.01378	3.7
96.96014	1.5
97.02940	4.8
99.00900	7.3
99.04548	1.6
101.02454	48.2
109.02984	1.8
111.00886	9.0
113.02467	24.7
115.04020	1.7
119.03535	8.9
123.00890	1.5
125.02451	12.6
131.03511	28.2
133.02966	4.1
134.03729	5.7
135.04529	16.7
137.02432	4.3
137.09738	14.2
139.04047	1.8
139.11285	17.3
141.09271	1.4
143.03494	5.4
149.04561	29.0
159.03015	2.9
161.04575	18.5
173.04541	5.7
179.03520	30.2
179.05338	2.7
179.05600	2.5
191.05611	15.8
191.14375	5.8
194.32155	1.3
209.15456	21.0
233.06738	8.8
273.57422	1.4
293.08768	9.3
299.18625	4.0
329.23444	2.0
353.19415	1.7
368.25372	1.6
371.16446	1.7
371.20749	18.9
392.89877	1.4
421.21088	1.4
443.22729	4.1
457.41699	1.3
461.23859	5.5
463.78497	1.5
467.98459	1.4
503.25024	97.0
503.31696	7.0
504.25308	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	503.2496
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01881	3.3
56.97601	0.7
57.03455	4.9
58.00596	2.0
59.01388	78.4
61.39069	0.7
68.99818	0.9
69.03466	4.1
71.01392	86.0
71.05024	2.4
72.99306	4.5
73.02954	15.8
78.95909	3.6
80.91691	5.5
81.03455	1.5
83.01403	8.2
84.02197	1.3
85.02964	24.3
86.00079	0.8
87.00894	7.1
89.02456	70.9
93.03453	1.9
95.01398	4.0
96.96957	1.4
97.02951	4.9
97.06592	1.0
97.89546	0.8
99.00899	6.1
101.02460	47.9
104.47442	0.9
111.00871	5.4
111.04519	1.0
111.08118	0.8
113.02464	23.7
115.04028	2.0
119.03520	5.4
120.56083	0.8
125.02471	12.9
129.01950	1.2
131.03523	28.2
135.04506	1.6
137.09747	14.3
139.04053	1.0
139.11313	13.6
143.03546	4.0
149.03374	1.3
149.04572	26.5
149.37057	0.8
153.09192	0.8
159.03026	2.7
161.04559	16.0
173.04568	3.3
175.11305	1.0
179.05653	1.2
191.05653	12.1
191.14433	4.6
209.15509	18.1
210.15820	0.9
211.54825	0.8
219.17534	0.9
223.06126	1.1
233.06639	6.4
255.19656	1.6
281.17667	3.3
293.08789	7.9
299.18616	5.2
359.81693	0.8
371.20724	17.0
421.20743	1.2
443.22809	4.3
461.23972	6.8
503.25046	100.0
503.31348	4.2
504.25323	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	503.179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84429	0.5
59.01391	3.0
65.62008	0.5
69.29530	5.0
71.01410	1.2
72.99293	0.8
78.95911	36.4
79.95720	2.6
87.00869	0.6
89.02412	1.3
94.34406	0.7
96.96014	100.0
96.96966	69.9
98.02481	0.8
101.02481	0.8
113.02457	1.0
119.05029	0.6
135.04547	1.2
149.06160	0.6
151.04010	0.7
160.55907	0.6
161.04646	0.6
173.04469	0.9
179.03604	0.7
179.05490	0.6
179.07149	1.0
191.05632	2.4
209.08083	1.0
253.08696	2.1
261.11191	1.2
281.10385	3.7
311.51617	0.7
503.18188	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	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03449	1.9
58.00595	2.0
59.01384	39.8
61.98832	1.8
69.03452	0.7
69.27674	7.1
71.01389	38.9
72.99310	1.8
73.02950	7.4
75.00889	1.9
83.01390	2.9
85.02965	11.1
87.00888	4.8
89.02453	100.0
90.02772	1.2
93.03466	1.7
95.01397	1.2
95.04995	0.8
96.96025	1.9
97.02953	1.1
97.33934	0.7
99.00887	2.8
99.50751	0.9
101.02458	25.4
106.04271	2.2
109.02927	0.9
111.00886	1.0
113.02460	11.6
119.03513	3.0
121.06621	1.0
122.44007	0.7
125.02424	1.5
128.94080	0.8
131.03519	15.7
133.05081	4.3
135.04529	2.1
143.03516	1.4
149.04568	29.4
159.02948	2.1
161.04568	23.5
165.09222	55.8
166.09575	1.9
173.04645	1.7
179.05565	1.1
191.05614	9.4
213.87495	0.9
233.06662	2.5
258.38684	0.7
311.10156	0.9
327.14630	5.5
329.06592	1.3
503.18765	1.1
503.25226	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
56.97601	0.7
57.03455	4.9
58.00596	2.0
59.01388	78.4
61.39069	0.7
68.99818	0.9
69.03466	4.1
71.01392	86.0
71.05024	2.4
72.99306	4.5
73.02954	15.8
78.95909	3.6
80.91691	5.5
81.03455	1.5
83.01403	8.2
84.02197	1.3
85.02964	24.3
86.00079	0.8
87.00894	7.1
89.02456	70.9
93.03453	1.9
95.01398	4.0
96.96957	1.4
97.02951	4.9
97.06592	1.0
97.89546	0.8
99.00899	6.1
101.02460	47.9
104.47442	0.9
111.00871	5.4
111.04519	1.0
111.08118	0.8
113.02464	23.7
115.04028	2.0
119.03520	5.4
120.56083	0.8
125.02471	12.9
129.01950	1.2
131.03523	28.2
135.04506	1.6
137.09747	14.3
139.04053	1.0
139.11313	13.6
143.03546	4.0
149.03374	1.3
149.04572	26.5
149.37057	0.8
153.09192	0.8
159.03026	2.7
161.04559	16.0
173.04568	3.3
175.11305	1.0
179.05653	1.2
191.05653	12.1
191.14433	4.6
209.15509	18.1
210.15820	0.9
211.54825	0.8
219.17534	0.9
223.06126	1.1
233.06639	6.4
255.19656	1.6
281.17667	3.3
293.08789	7.9
299.18616	5.2
359.81693	0.8
371.20724	17.0
421.20743	1.2
443.22809	4.3
461.23972	6.8
503.25046	100.0
503.31348	4.2
504.25323	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	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68140	1.2
57.03457	1.6
59.01390	14.4
61.98838	19.6
65.33768	1.1
68.57851	1.4
69.21506	3.1
69.21922	8.6
71.01391	12.6
73.02951	3.3
78.95914	41.3
79.95773	3.1
85.02966	3.7
87.00874	4.9
89.02448	9.4
93.03464	2.3
95.01380	1.7
96.96018	100.0
96.96971	73.4
101.02464	10.7
103.04042	2.6
109.02998	1.8
113.02460	3.0
114.03137	1.4
119.03525	3.5
121.02950	2.1
125.02465	3.0
135.04541	33.5
143.05026	1.7
146.03746	1.4
148.19997	1.2
149.06044	1.9
161.04681	1.8
163.06126	3.4
165.21457	1.4
173.04483	2.1
179.03488	7.0
179.05650	2.1
179.07039	1.5
191.05646	3.9
192.06281	1.1
207.06650	6.2
209.08289	2.1
251.09349	1.6
253.08699	3.8
261.11469	1.7
281.10242	5.4
286.73764	1.3
297.11450	1.5
307.10373	3.0
313.60629	1.3
331.17960	1.2
341.09048	2.9
402.22577	1.3
421.24210	1.3
443.15567	6.3
503.17657	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	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18999	0.4
59.01376	2.1
64.44761	0.5
72.59818	0.5
84.09802	0.5
96.95999	1.3
107.05023	0.9
110.26220	0.4
123.91568	0.5
128.03549	0.7
134.03786	2.0
135.04535	82.3
136.04886	1.4
179.03508	100.0
180.03836	3.0
191.05551	0.6
237.70081	0.5
327.67072	0.6
341.08777	51.1
342.09058	2.2
503.13980	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85447	0.8
57.48689	0.7
59.01385	100.0
69.00400	0.7
71.01390	2.7
71.56159	1.0
73.02959	0.7
78.95901	6.7
87.00923	1.0
89.02447	1.2
96.96036	8.0
96.96967	11.3
101.02474	2.1
109.02976	0.8
111.04544	0.9
113.02514	1.3
123.08186	0.8
133.03024	0.9
134.03770	1.8
135.04536	19.0
137.02478	1.2
143.03540	0.9
149.02612	0.9
151.00406	1.7
161.02522	1.5
161.21881	0.7
163.03990	1.2
166.02777	3.9
173.04655	1.0
173.87059	0.8
177.01981	1.7
179.03529	22.0
179.07010	0.7
181.05069	12.4
181.06552	0.8
182.05621	0.7
191.03554	2.0
191.05682	2.3
193.05128	2.5
197.08238	1.0
201.13023	0.7
203.03505	1.9
205.04961	0.8
206.05916	2.2
209.01163	0.8
221.08235	6.4
233.08257	1.7
251.05702	3.2
251.09322	7.6
253.08961	0.8
263.09311	0.9
266.08051	2.7
279.95822	0.8
281.10449	17.3
281.14020	5.1
290.48334	0.8
302.03140	0.8
309.11993	0.7
323.15125	1.0
341.08820	10.3
350.32407	0.7
495.31870	0.8
501.94101	0.7
503.14102	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	503.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74608	0.5
58.17987	0.4
58.68652	0.4
59.01375	1.3
60.04568	0.5
70.28531	1.6
71.01399	0.7
78.95912	58.9
79.95770	1.2
81.87746	0.4
84.95164	0.9
87.00914	0.7
87.85441	0.4
89.02460	1.0
90.00868	0.4
96.61411	0.4
96.96019	35.0
96.96973	100.0
98.20605	0.9
101.02423	0.6
110.15237	0.4
128.51717	0.4
133.06630	0.6
135.04532	2.3
161.02490	0.5
179.03513	3.3
195.06631	0.7
206.85477	0.5
221.04662	0.9
248.57539	0.5
298.93759	0.5
341.08737	1.2
346.33563	0.5
357.11914	0.6
418.87509	0.5
503.14594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09270	1.0
59.01386	13.0
61.98835	4.2
71.01399	7.0
72.99291	1.3
73.02964	5.0
73.09303	0.8
75.00883	4.9
75.67050	0.9
78.95917	1.0
81.40096	1.0
83.05031	1.2
85.02960	3.7
87.00881	3.6
89.02451	6.8
93.03437	2.0
96.96012	3.6
96.96970	2.2
99.00898	3.8
99.92590	8.9
101.02431	4.3
113.02458	2.9
116.92873	100.0
116.97277	1.7
117.01967	8.8
117.05569	2.4
117.92863	3.4
119.03507	2.3
120.27014	0.9
135.04570	1.7
137.02487	1.2
145.02957	1.3
146.03702	2.1
147.04541	1.6
158.21509	0.9
161.02484	1.6
161.04550	1.6
173.04517	2.8
179.03596	1.0
179.05614	2.3
179.46706	0.9
191.05629	5.9
192.06026	1.4
193.05107	1.0
212.85556	1.0
242.05670	1.1
253.08722	6.5
285.04120	1.0
297.07730	3.3
297.11081	1.7
334.55469	0.9
341.06650	1.4
503.16318	2.9
503.24246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3224
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.15562	0.5
59.01365	1.4
61.98813	0.6
71.05007	0.7
75.47993	0.5
98.20635	1.6
108.64107	0.5
117.71632	0.5
121.69447	0.5
132.46103	0.6
187.11232	2.5
189.12880	7.4
190.13159	0.6
205.15979	30.2
206.16290	0.8
212.21838	0.5
247.13493	0.6
249.14989	6.5
251.16585	0.8
253.17989	1.9
397.31201	2.7
413.34488	4.1
439.32126	0.8
457.33157	9.2
501.32196	100.0
502.32553	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	501.3227
Annotation	Dianic acid
Peak:m/z	Relative Intensity
56.33214	0.7
57.03452	1.3
59.01370	3.3
61.90531	0.6
71.01398	1.2
71.02807	1.5
71.05023	0.9
83.05058	0.8
93.01987	0.6
104.88708	0.7
123.08128	0.8
134.26137	0.7
189.49600	0.7
255.44579	0.6
341.24924	5.7
343.26422	7.7
344.26584	1.0
345.72336	0.7
383.29712	1.0
409.27054	1.3
411.32751	7.3
421.31146	2.0
425.30740	0.9
437.30423	1.4
439.32520	4.9
455.31735	1.7
457.33310	96.0
458.33652	10.1
471.31171	1.9
483.31586	6.1
501.32443	100.0
502.32736	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	501.3593
Annotation	Quercinic acid C
Peak:m/z	Relative Intensity
59.01384	30.1
61.98841	3.3
67.11662	2.1
67.47210	2.1
68.39005	2.1
71.01414	4.1
71.55390	3.0
72.99319	3.7
73.02956	2.3
125.03391	2.1
138.19341	2.5
177.55740	2.1
239.16391	2.3
261.14703	2.5
343.05127	2.0
376.73303	2.3
411.32736	11.9
413.34338	14.0
427.35825	2.5
439.35760	5.9
457.36993	100.0
458.37076	9.3
483.35074	18.8
501.36295	93.1
502.36337	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.34879	0.5
60.01715	0.5
69.35720	3.9
71.01393	2.8
72.99337	0.6
73.02949	0.7
74.73901	0.6
85.02968	1.6
85.74775	0.5
89.02462	1.7
98.19897	0.7
101.02472	1.6
111.00954	1.2
113.02456	1.3
141.09239	0.6
161.04630	0.7
191.05693	1.9
210.94771	0.6
238.11334	0.5
247.89407	0.5
327.21817	0.6
390.81082	0.6
394.06870	0.5
399.24078	0.7
404.07526	0.5
501.30405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2865
Annotation	Kadcoccilactone B
Peak:m/z	Relative Intensity
53.00141	1.1
54.87096	1.1
57.03444	3.7
59.01386	10.0
71.01383	1.6
71.54047	1.6
73.02962	1.6
81.30154	1.2
85.02900	1.6
97.06593	1.2
121.06590	2.0
123.08141	1.6
135.08199	2.3
142.98170	1.2
163.11273	2.4
173.11800	1.9
219.17572	2.5
223.13600	1.3
231.17493	1.4
259.20660	1.6
263.16428	1.6
301.25214	2.4
353.28485	2.1
360.24258	1.4
375.27127	2.0
379.26306	3.1
393.27988	1.8
395.29483	4.9
397.31326	1.6
409.31400	2.4
411.32907	2.3
413.30432	11.1
419.31552	8.1
424.26328	3.0
439.27490	11.8
439.32913	4.2
455.31665	2.2
457.28958	7.7
457.33481	9.7
471.31204	2.0
483.31558	8.4
501.28629	100.0
502.29004	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	501.3229
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
59.01390	14.4
60.99305	2.5
64.65768	1.4
69.75807	7.0
71.05031	6.9
85.06581	1.7
97.06609	1.4
98.20676	2.0
110.92495	1.2
111.82335	1.2
125.09755	2.5
143.29716	1.4
166.20004	1.2
189.12939	6.5
245.15654	1.5
247.17151	2.0
261.18649	2.6
305.21252	18.9
306.21600	1.5
353.24893	4.2
355.26392	8.3
377.28796	2.2
393.31815	1.7
405.28244	3.2
409.27393	2.8
411.32703	4.2
419.29657	1.7
421.31204	32.8
422.31598	2.0
423.28857	7.6
437.30563	9.1
439.32184	62.4
440.32623	4.8
441.30215	9.2
457.33554	11.7
473.32751	1.5
483.31506	7.7
501.32394	100.0
502.32373	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	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37526	1.2
57.03443	2.1
58.00586	1.6
59.01382	17.9
61.98843	9.7
64.08620	1.6
66.03846	1.1
69.18044	1.9
69.18445	12.3
71.01392	14.2
71.98459	1.3
73.02959	2.8
75.00871	2.0
79.63496	1.2
79.81073	1.3
81.03468	1.5
83.01382	1.4
85.02957	8.9
87.00906	4.0
89.02455	12.5
91.40201	1.3
93.03453	7.8
96.96033	2.9
98.20619	2.7
101.02427	7.9
103.85697	1.2
109.02982	2.9
111.00879	4.5
113.02470	5.8
119.03505	2.8
119.05013	2.7
121.02972	4.9
123.93336	1.5
124.55396	1.2
125.02409	1.4
128.25439	1.3
133.02974	1.7
133.05080	4.5
134.03775	2.6
135.04532	5.4
136.01646	2.0
137.02498	3.3
143.03343	1.4
147.04541	2.5
149.02455	23.6
149.06081	2.4
151.03986	1.6
152.01163	6.3
161.04553	9.2
162.03156	1.7
163.04010	6.2
163.07657	1.4
164.04797	16.4
165.01967	2.2
167.03592	1.7
169.05070	2.6
173.04498	6.6
175.03969	10.5
177.01939	2.2
179.05699	1.6
179.07162	4.9
182.69707	1.3
189.05536	10.8
190.06374	10.4
191.05617	44.3
193.01447	20.3
195.06670	6.5
203.03548	1.5
205.08603	8.4
207.04987	2.9
207.06731	2.1
208.03769	39.2
209.03996	1.6
217.05093	4.6
219.03015	1.3
223.06126	100.0
224.06458	4.2
229.05101	2.3
234.05362	6.4
249.07664	49.1
259.09875	1.6
265.08658	1.8
267.08810	7.7
281.34888	1.2
303.08679	3.3
321.09930	2.0
327.08527	9.1
385.11346	2.5
483.15109	4.6
501.14435	4.6
501.24805	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01376	0.3
66.29616	0.2
69.44660	1.7
71.01403	0.2
71.95550	0.2
78.95911	2.1
93.03456	1.1
96.96018	1.3
96.96981	1.0
105.03461	1.3
108.02184	1.1
108.70743	0.2
120.02202	0.5
121.02953	1.5
123.04536	1.2
129.02933	0.3
132.02208	0.4
133.02982	2.3
148.01672	0.6
149.02461	1.5
173.04639	0.4
175.03970	0.4
176.01158	7.1
176.02600	0.5
177.01941	100.0
178.02286	2.7
178.90985	0.3
191.05638	0.7
207.06662	0.4
219.02885	0.3
279.08698	0.3
288.02621	0.3
357.08926	1.0
387.33051	0.2
501.12540	31.2
502.12903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	30.5
58.00588	1.3
59.01384	100.0
61.98828	2.8
69.71514	1.1
71.01386	6.1
73.02937	1.3
75.00872	1.9
78.38598	1.1
78.95927	1.3
85.02964	3.0
87.00874	2.4
89.02432	2.0
93.03465	5.1
96.96038	5.5
96.96964	2.5
97.91743	1.2
99.00888	1.3
99.04530	16.7
101.02442	8.5
109.02958	1.4
113.02459	2.0
119.05014	2.1
121.02940	2.5
125.02476	5.9
135.04578	2.2
137.02431	1.8
143.03557	1.6
143.04971	1.1
147.04497	2.4
149.02452	4.1
150.03238	6.8
161.04532	2.2
162.03232	1.8
163.03986	3.4
164.04823	4.7
165.05579	19.2
171.74486	1.2
173.04547	5.4
174.03108	1.3
175.03972	2.5
176.04836	1.2
177.05569	4.0
189.05592	2.6
189.22672	1.2
191.05655	17.5
192.60686	1.2
193.05099	1.3
194.05920	1.4
195.06622	16.0
205.08693	1.6
207.06596	4.3
219.02983	23.1
219.06516	1.8
220.03362	1.2
234.05325	24.1
235.05750	1.8
239.73952	1.0
249.07710	19.6
250.04727	1.2
264.06396	2.7
271.05939	1.2
279.08743	55.0
280.09152	3.0
309.09818	7.8
327.08478	4.2
327.11133	3.8
357.12073	13.3
423.41205	1.3
501.16574	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	501.1252
Annotation	Daphneside
Peak:m/z	Relative Intensity
50.43404	0.8
53.89845	1.1
59.01387	3.3
61.58959	0.8
69.38518	6.7
71.01391	1.7
73.06380	1.0
78.95921	7.3
79.95737	1.1
85.02961	1.5
87.00869	1.4
89.02465	1.7
96.32832	0.9
96.96021	29.9
96.96949	12.5
98.19936	2.3
99.31621	0.9
101.02466	1.9
109.02982	8.4
109.17286	1.2
121.91797	0.9
123.04533	1.0
125.02471	4.4
133.02971	4.2
135.04546	6.1
144.64873	1.0
145.02994	1.6
146.03709	1.0
147.04550	12.8
148.05330	6.3
149.06091	20.8
159.04474	2.3
161.02478	4.2
161.06091	8.9
163.03960	2.8
165.02017	1.2
165.05579	1.2
172.05318	1.2
173.04660	1.6
173.06079	4.0
174.03229	3.6
175.04031	12.3
176.04912	4.4
177.01945	11.7
177.05554	2.7
179.03539	1.8
185.04597	2.2
185.06158	1.1
187.04025	2.1
188.04825	1.1
189.05583	24.6
190.06097	1.0
191.03539	1.6
191.07120	9.2
193.05069	1.9
199.42072	0.9
203.03511	1.6
203.07147	4.1
205.05078	4.9
207.06604	1.8
215.07018	1.0
217.05069	24.5
219.03018	9.3
221.04602	5.3
223.06134	2.6
235.06181	10.7
237.04066	7.9
259.06082	1.1
277.07297	3.2
279.05124	9.3
295.08224	9.1
296.08914	1.0
339.07211	100.0
340.07520	5.1
373.11493	1.9
381.17624	1.2
403.12625	4.9
501.12567	7.4
503.06299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.2
61.98835	100.0
68.24345	0.8
71.01396	2.5
75.00881	1.0
85.02982	1.3
87.70734	0.8
89.02471	0.8
98.20670	1.6
99.00898	0.9
101.02438	1.1
122.29718	0.9
133.63586	0.8
157.06107	0.7
166.13448	0.7
283.75323	0.7
351.08160	0.8
352.76651	0.7
433.87445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87048	0.6
54.95245	0.5
55.70731	0.6
58.32752	0.6
59.01384	77.2
59.88060	0.5
60.01694	0.7
71.53617	1.0
72.12891	0.6
72.99339	1.2
80.45393	0.5
90.97118	0.8
132.98221	1.5
134.97046	1.9
144.65619	0.6
150.16908	0.6
157.03561	3.8
159.01555	1.5
174.99258	21.5
176.98088	1.1
192.96013	0.9
201.02565	35.4
202.02734	2.2
215.04034	0.6
217.00305	100.0
218.00670	1.7
276.98199	2.5
292.96231	2.3
294.92712	0.7
334.97244	1.3
343.03809	3.2
344.03781	0.8
359.01477	69.2
360.01633	4.9
384.53458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33514	0.4
58.19225	0.4
69.74252	0.6
69.74661	1.5
74.99356	0.3
78.95911	53.1
79.95747	0.5
85.65752	0.4
96.96047	21.6
96.96968	100.0
102.48171	0.3
113.39507	0.4
236.13455	0.4
377.44135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98836	100.0
69.89261	0.3
71.01392	0.5
85.02993	0.4
85.53924	0.3
93.28450	0.3
98.20662	1.3
101.02431	0.4
116.64516	0.3
129.66927	0.3
140.73131	0.4
167.91335	0.3
271.83206	0.3
319.69565	0.4
417.25443	0.4
440.24780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.8
59.01385	10.0
61.98837	100.0
71.01378	0.5
71.55888	0.4
71.56330	0.6
73.25510	0.4
85.02972	0.5
89.02460	0.6
101.02465	0.5
113.08219	0.4
118.20415	0.5
177.01988	0.5
239.31039	0.5
239.60237	0.4
334.56616	0.5
392.96799	0.4
435.86365	0.4
501.33014	2.0
505.05203	0.5
524.87189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19573	0.3
70.11259	1.1
72.37176	0.4
91.90111	0.4
106.69781	0.3
119.68291	0.3
140.67760	0.3
181.16805	0.3
326.73193	0.3
393.31534	0.6
421.31015	1.6
499.34323	100.0
500.34659	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03469	0.2
59.01381	1.0
61.98856	0.2
65.91557	0.2
71.55695	0.2
75.61318	0.2
102.55753	0.2
142.90248	0.2
220.52576	0.2
227.12778	0.2
371.19699	0.2
421.31183	0.6
453.33365	0.2
455.35358	1.4
467.31454	0.2
499.34351	100.0
500.34702	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03450	4.5
59.01378	19.6
61.98850	7.8
62.86400	2.7
69.03442	4.3
69.44823	21.8
71.01386	23.8
73.02946	8.3
78.95896	3.2
81.35026	2.6
85.02968	8.4
89.02448	12.8
93.03472	8.8
96.96017	11.0
96.96980	6.7
99.00903	4.3
101.02441	18.1
111.04510	3.2
113.02483	10.2
121.02900	2.5
131.03526	4.6
134.03690	3.6
139.08891	2.7
145.02965	5.5
149.02480	3.9
149.04561	6.6
149.06032	3.0
161.04588	11.7
163.04070	3.1
173.04558	11.9
191.05653	16.2
193.01414	6.1
193.05014	3.2
208.03848	4.4
221.06609	3.1
223.06161	21.6
225.63377	3.1
307.17664	8.3
320.56210	3.2
325.06851	3.1
331.17722	8.1
439.22006	14.7
463.21881	69.6
499.19507	100.0
500.19824	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	499.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33979	1.6
55.01876	3.2
57.03451	2.9
57.05974	1.3
58.00615	1.9
59.01385	41.3
61.98842	5.3
69.48957	11.7
69.49301	1.4
70.49756	1.6
71.01389	36.3
72.99312	4.6
73.02952	10.6
75.00875	1.6
78.95895	1.6
81.03453	1.8
82.95428	21.7
83.01414	6.1
85.02965	16.6
87.00900	4.0
89.02469	14.4
93.03443	4.7
95.01411	2.4
96.96070	3.4
96.96968	1.7
99.00891	6.7
101.02448	30.8
109.02986	2.0
111.00872	3.6
112.98594	1.9
113.02448	13.5
125.02466	4.5
131.03539	9.7
134.03763	4.6
135.04553	2.9
149.04556	7.4
149.05879	1.5
161.04570	6.3
173.04565	4.6
176.29836	1.5
178.02687	2.4
181.05014	2.4
191.05656	12.6
193.05075	5.0
195.06667	8.2
233.06546	2.4
293.08844	1.7
307.17633	34.7
308.17847	2.5
353.09045	2.0
355.59302	1.5
357.11819	2.0
379.12405	2.2
386.90451	1.5
408.53635	1.9
439.21869	100.0
440.22250	6.7
499.19632	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48869	0.8
55.24014	0.8
57.03452	3.5
57.03725	0.8
59.01385	35.9
61.98843	5.5
67.01905	3.8
69.03462	1.7
69.23569	7.2
71.01380	6.6
73.02956	2.3
75.00900	2.1
78.95935	1.1
81.03415	1.1
81.07226	0.8
82.95430	2.3
83.01431	0.9
83.05054	1.7
85.02955	7.0
87.00889	3.9
89.02441	2.2
93.03468	23.7
95.05016	0.8
97.06607	4.3
99.00890	1.0
99.04565	1.5
101.02435	2.8
107.05042	1.1
109.02984	2.5
109.06621	1.3
111.00941	1.7
111.04538	5.8
113.02477	5.0
117.03521	1.0
119.05023	7.3
123.04575	1.3
125.09782	1.3
127.04015	1.8
127.07700	1.9
131.61180	0.9
133.02974	3.4
134.03716	2.7
135.04538	52.5
135.08182	2.3
136.04944	1.1
137.02446	8.0
145.02995	3.3
151.07637	2.7
155.03500	6.8
161.02473	10.5
161.04581	2.1
163.04018	10.0
173.04562	100.0
174.04874	2.4
174.42995	0.9
174.97284	2.4
179.03511	54.9
183.10315	1.5
191.05630	47.5
192.05954	1.2
197.08105	1.6
201.11310	6.1
203.03571	1.4
207.10237	1.3
209.11826	1.5
225.11208	1.0
299.05466	0.9
301.07254	3.6
319.08194	3.0
335.07751	3.3
337.09274	20.9
338.09549	1.6
353.08786	68.5
354.09195	3.8
463.23328	2.5
481.24448	4.4
481.31458	2.5
499.12897	6.3
499.33521	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	499.146
Annotation	KN-93
Peak:m/z	Relative Intensity
54.23040	0.8
54.23823	0.7
59.01369	3.6
60.99308	4.4
61.98841	1.4
62.08220	0.7
67.01893	10.2
68.10929	0.7
69.03448	3.6
71.01384	4.0
73.02937	1.2
75.00896	0.8
78.95909	4.6
81.03467	1.2
83.05025	2.2
85.02934	3.8
85.14365	0.8
87.00884	11.2
88.98810	0.9
89.02437	1.5
91.57379	0.8
93.03465	69.5
94.03797	1.5
96.96012	13.9
96.96953	6.3
99.00893	1.1
99.04514	1.1
101.02444	1.2
109.02968	1.6
111.04530	9.0
117.03472	0.8
117.38840	0.8
119.05036	31.2
120.05326	1.0
127.04009	1.1
129.01939	2.4
132.38927	0.9
135.04515	2.3
145.02910	2.5
148.05350	0.9
149.06056	3.6
155.03465	3.3
161.02402	1.5
163.04025	21.4
173.04550	19.4
174.04929	1.1
179.03453	0.9
191.05620	81.5
192.05971	2.3
203.03342	1.0
218.80965	0.9
219.02893	1.1
237.04128	1.0
337.05649	1.4
337.09299	13.0
338.09558	1.1
379.10425	1.7
401.14508	1.5
499.14581	100.0
500.14691	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	499.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01387	3.4
59.34346	0.6
61.39042	0.6
61.98832	4.1
67.73767	0.6
69.39230	5.4
70.50998	0.7
71.01370	2.8
72.77634	0.6
73.02951	0.9
76.46688	0.7
78.95911	56.2
79.95744	3.2
83.01356	0.7
85.02943	1.2
89.02428	1.3
96.96015	100.0
96.96967	91.8
101.02444	1.9
108.56506	0.6
113.02448	1.0
133.33846	0.6
134.03839	1.0
135.04558	0.7
143.27922	0.6
173.04573	1.6
191.05643	1.3
209.57774	0.7
293.16064	1.8
329.38156	0.7
365.62225	0.7
378.42050	0.8
416.39069	0.7
439.22034	3.6
458.82034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80505	0.4
57.03446	0.9
59.01385	9.8
60.99301	0.5
61.98820	2.2
67.01893	3.1
68.99575	0.9
69.03456	0.5
71.01389	5.1
72.99303	0.8
73.02950	1.1
81.03461	0.9
83.05026	1.3
84.30289	0.4
85.02950	1.9
87.00880	0.9
89.02451	1.5
93.03468	21.3
94.03809	0.4
96.96053	0.5
97.06605	0.4
98.19867	1.1
99.04523	1.1
101.02451	1.3
109.02960	0.8
111.00874	1.0
111.04525	6.5
112.98592	1.2
113.02453	1.1
117.03483	0.8
119.05039	15.2
120.05332	0.5
121.03011	0.5
125.02479	0.6
127.04047	0.8
127.99992	0.4
129.05704	0.6
133.02991	3.2
134.03697	0.8
135.04541	11.7
137.02455	6.9
137.06197	0.4
145.03020	3.2
151.07642	0.9
155.03525	8.1
161.02466	11.8
161.04474	0.6
163.04019	24.5
164.04359	0.8
173.04561	100.0
174.04958	2.2
179.03529	8.1
191.05617	10.1
209.11841	0.4
225.11369	0.6
282.51166	0.4
319.08389	1.8
320.17926	0.5
335.07785	5.8
336.07919	0.5
337.09314	48.0
338.09647	2.5
353.08765	3.7
456.03522	0.5
463.21249	0.5
481.31458	0.5
499.12506	10.1
499.18768	1.2
499.32623	3.2
500.12787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
61.98834	1.6
62.93779	0.8
67.01905	1.1
71.01401	2.5
71.54590	1.4
72.11446	0.9
72.99320	1.0
77.01513	0.8
78.95914	0.9
83.01394	5.0
87.00882	0.9
89.02466	1.8
93.03461	6.9
96.96046	2.3
96.96983	1.2
99.00892	5.3
101.02490	1.8
108.02058	0.9
109.02962	10.8
111.04474	0.8
111.40977	0.8
113.02452	0.9
113.82301	0.8
115.00383	4.3
119.05024	6.3
121.06608	2.9
123.83308	0.7
133.02953	3.2
135.04532	4.3
137.02437	2.5
145.03003	4.4
147.04524	4.7
148.03868	0.7
148.05244	4.1
149.06091	100.0
150.03230	1.8
150.06421	2.7
151.04004	1.2
155.03502	1.1
159.04488	1.3
161.02454	8.1
161.06139	1.7
162.06375	0.9
163.04039	13.7
163.07660	1.3
165.05605	5.8
172.05351	0.8
173.04564	28.1
173.06023	1.0
174.03285	1.6
174.04860	0.9
175.02623	1.0
175.04002	17.7
177.01947	9.7
177.05592	1.6
185.06044	1.0
187.04062	2.2
188.04736	1.5
189.05571	2.4
191.03482	2.3
191.05647	1.5
192.04266	1.0
193.05045	18.0
203.03441	1.1
203.07225	1.2
205.05084	2.2
206.02281	1.0
209.04671	1.1
215.03490	1.6
219.02994	38.2
220.03377	1.2
229.05016	1.0
231.06575	2.6
233.04588	12.1
237.04060	53.0
238.04407	1.6
245.46147	0.8
275.05612	2.9
277.03558	8.1
293.06683	5.7
319.04599	12.0
325.09384	1.1
337.05661	47.3
338.05887	2.3
365.26782	0.8
381.08246	10.7
399.09326	8.7
439.08917	4.4
481.09955	7.8
499.10477	9.2
522.51624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47556	0.6
59.01382	7.5
61.98841	5.2
67.25287	0.6
69.31761	6.4
71.01389	5.2
73.02956	2.9
75.00863	0.9
78.95911	45.8
79.95742	3.1
83.01368	1.3
83.09689	0.7
85.02962	2.5
87.00907	0.8
89.02458	2.3
93.03484	1.3
96.96024	100.0
96.96976	85.8
101.02453	4.7
113.02460	2.0
117.04926	0.7
119.03535	0.8
120.51426	0.6
123.04556	0.9
123.09700	0.6
131.06067	0.6
133.03084	0.8
134.03806	0.8
149.06096	1.1
159.03050	0.9
161.04565	1.0
191.05608	1.9
193.05121	1.2
195.02997	1.0
207.06909	0.8
211.34657	0.7
231.82022	0.7
238.30620	0.7
293.16177	6.9
303.14508	0.7
345.89648	0.7
401.78473	0.8
439.21796	10.8
520.30457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.4
67.50689	7.9
67.66650	10.7
69.18156	100.0
71.05033	12.9
72.99300	12.4
73.02945	12.9
85.06621	10.4
87.00878	11.6
101.86062	10.0
111.04499	20.8
121.01856	10.8
123.08178	15.5
141.09225	13.1
173.44676	9.9
267.27087	16.1
270.21570	9.2
369.29977	11.4
497.38065	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	497.3396
Annotation	Neurosporaxanthin
Peak:m/z	Relative Intensity
57.03455	18.8
59.01372	15.1
60.74112	10.8
69.03475	11.4
69.40157	52.4
69.40572	23.0
69.61296	9.6
71.05022	17.4
72.99311	24.1
73.02958	25.8
88.00368	10.1
113.02500	10.5
119.69286	10.1
130.99550	12.0
136.30415	10.7
154.99797	13.9
177.15141	12.5
267.26904	29.0
310.98422	11.8
384.26318	10.1
395.31671	14.6
409.37024	26.2
425.36459	13.3
453.35324	26.6
471.49100	10.9
479.37338	34.1
497.34454	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	497.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03430	3.7
57.03678	0.8
57.22976	0.8
58.00585	2.0
59.01385	52.9
60.25103	0.9
61.98833	2.1
69.03444	1.7
70.96617	1.0
71.01389	61.2
71.56813	1.4
72.97527	1.4
72.99316	7.7
73.02563	1.2
73.02949	20.3
75.00845	1.8
77.01778	1.0
78.95899	2.4
83.01383	8.4
85.02958	20.2
87.00866	3.6
87.04499	2.5
88.98790	1.4
89.02456	34.5
91.00362	1.9
93.03441	1.4
93.19193	1.0
95.01397	4.9
96.96022	13.3
96.96983	3.1
97.02941	3.5
97.06547	1.7
97.34431	0.9
99.00878	7.5
101.02450	44.3
103.03989	2.9
111.00857	2.0
113.01734	1.3
113.02455	19.6
115.04001	3.2
119.03502	5.4
125.02446	6.8
129.01933	1.6
131.03529	10.1
135.04477	3.0
143.03499	3.0
149.04572	7.6
159.02962	3.6
161.04568	19.1
163.06136	12.2
173.04657	1.6
179.03445	0.9
179.05583	1.1
191.05568	7.6
203.03273	14.3
203.12950	9.1
205.07155	4.9
233.06781	5.0
233.08870	1.3
265.09128	1.1
276.15958	0.9
282.47983	0.9
291.14499	7.0
293.08643	3.6
317.19510	1.0
365.18182	19.4
366.18436	1.6
437.20337	15.4
438.20654	1.4
497.22287	100.0
498.22562	7.0
514.08960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04839	2.3
56.84895	1.9
57.03447	6.4
59.01389	63.6
61.98838	100.0
63.96248	3.0
71.01385	38.1
71.05024	2.5
71.56339	2.3
72.99315	8.8
73.02947	17.0
75.00890	2.2
76.97030	2.5
79.95737	4.9
83.01402	7.2
83.05026	7.5
85.02960	14.7
85.10645	1.8
87.00886	22.9
87.86610	1.8
89.02453	20.3
92.03310	2.2
97.06614	3.2
99.00919	4.9
101.02460	35.9
111.00866	3.7
111.04530	3.0
111.08138	2.0
113.02444	12.3
114.41105	2.3
115.04141	2.0
119.03530	2.9
125.02478	2.8
125.09741	3.6
127.11263	3.2
131.03500	13.8
132.99678	15.4
135.04572	2.4
135.08197	5.4
141.84076	2.4
149.04555	6.4
151.00717	42.6
151.07689	4.0
161.04561	9.1
171.10287	5.5
191.05672	6.1
201.11333	15.3
213.18674	3.7
215.12881	19.7
230.77615	1.8
233.06549	2.1
242.98891	2.0
305.19696	27.7
315.25394	21.6
327.25443	4.7
331.23022	15.1
338.53656	2.2
437.23941	94.7
438.24234	5.3
479.30124	4.4
497.27344	60.9
498.28299	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	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.17124	16.9
61.98842	36.0
62.55466	14.9
71.01394	63.4
73.02952	35.8
74.49542	14.2
78.47610	14.6
89.02462	28.5
98.19862	28.1
101.02438	34.8
113.02459	24.3
117.15704	17.3
139.80754	13.4
149.04565	17.5
167.10793	66.9
168.11168	15.8
169.36969	16.7
191.05692	34.8
229.26782	16.9
258.71429	16.3
291.18130	42.7
293.08875	32.1
329.06470	78.6
407.77365	20.2
421.19415	17.4
437.23816	57.8
497.17935	78.7
497.30859	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.0
57.03442	2.9
59.01385	68.7
59.08634	1.4
61.98835	12.5
69.39633	5.6
69.40073	6.7
71.01388	46.2
72.99310	2.7
73.02952	21.5
78.04858	1.5
82.37154	1.6
83.01399	14.9
85.02953	24.1
87.00874	1.6
89.02451	19.8
93.03432	1.6
95.01384	3.8
97.02950	2.1
99.00890	7.6
101.02453	54.5
104.64227	1.6
113.02459	16.9
119.03493	1.6
122.63041	1.5
125.02399	7.4
129.01942	1.8
130.03120	1.6
131.03470	3.7
143.03456	2.1
149.04552	9.7
159.03032	2.4
161.04597	11.2
162.34685	1.6
163.09622	1.5
167.10928	1.5
191.05612	4.1
201.11305	2.0
215.12938	1.6
233.03639	1.6
233.06718	2.1
249.40710	1.6
269.47507	1.5
291.18161	80.2
292.18417	3.6
293.08801	23.3
311.10037	2.6
329.06458	14.1
437.23941	100.0
438.24332	4.9
497.17938	6.2
497.31882	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	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	5.1
59.01390	67.5
61.98840	18.2
69.27489	45.2
71.01385	58.8
71.44992	4.7
73.02963	11.7
78.95919	10.0
83.01401	6.6
85.02961	28.3
89.02452	82.5
91.38374	4.7
93.03475	9.9
96.96037	10.9
98.20653	11.7
99.00897	16.6
101.02451	51.2
106.03133	4.3
111.00895	6.7
113.02479	16.5
119.03529	6.7
131.03526	15.8
134.03734	19.9
135.04541	5.2
149.04568	85.6
149.06046	13.6
151.04028	10.3
152.01195	4.4
161.02431	5.2
161.04602	13.0
165.05531	8.4
165.09222	15.9
167.03522	17.0
173.04565	10.3
191.05624	58.3
193.05171	11.3
203.12990	4.9
221.06657	10.0
251.07742	12.2
293.08871	8.5
305.16238	6.5
311.09921	8.1
327.14343	8.6
335.16977	5.1
389.02737	4.7
437.20270	20.2
459.18802	73.4
460.19336	6.0
461.19562	13.1
497.17413	100.0
498.18051	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	497.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.16719	2.3
59.26426	2.2
61.79460	2.5
61.98830	3.5
64.40524	2.5
65.03938	2.6
71.01389	11.4
71.57247	4.1
72.45309	2.2
73.02951	3.5
79.99300	2.5
85.02906	2.8
87.00873	3.1
88.98815	3.8
89.02442	2.9
101.02421	5.2
105.56318	3.1
107.15105	2.7
135.04489	2.6
139.84338	2.4
145.24429	2.2
170.16541	2.6
333.23126	2.8
375.24005	5.3
417.24896	5.2
458.44958	3.0
497.31409	3.2
502.50821	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	497.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
61.43159	1.7
67.47158	1.9
69.20997	10.2
69.21433	6.6
71.01382	10.9
73.02940	2.7
78.95929	9.3
80.05051	5.7
83.01414	2.4
85.02931	2.0
87.00847	2.4
89.02438	6.0
92.05039	2.1
93.03471	4.4
94.06616	6.5
96.08192	2.1
97.01678	3.1
101.02462	6.8
106.03016	2.0
106.06638	5.0
109.01666	1.8
109.05303	3.1
110.98528	6.3
113.02396	2.9
120.04561	10.7
121.05324	5.1
122.06130	31.6
124.04109	1.9
124.07701	31.8
136.04102	7.8
136.07675	1.8
138.05525	2.0
140.07190	3.8
148.04057	68.8
148.07652	4.2
149.04504	2.6
150.05630	24.5
157.55048	1.7
161.04514	1.9
166.05087	6.9
168.06636	5.5
173.04567	7.6
184.06349	2.9
191.05623	12.2
194.04553	4.6
197.07127	5.9
198.08139	2.4
199.12399	2.1
200.09512	6.3
210.04185	3.8
211.08856	3.2
212.09387	9.5
213.06779	1.8
213.10307	5.1
215.11902	21.3
216.10358	2.7
225.06691	24.3
225.10292	5.1
226.07310	3.0
226.11086	5.4
227.08330	2.9
227.11899	27.0
228.12160	2.5
229.13338	2.1
230.10713	2.0
231.11433	6.0
236.20966	1.8
240.09048	29.7
241.09636	2.9
243.11366	17.5
255.11395	51.0
256.11591	2.4
271.10812	2.8
272.11588	4.8
273.12460	84.3
274.12747	2.7
275.10361	4.1
287.10339	7.4
291.13495	9.2
299.10410	18.8
316.10587	10.0
317.11423	100.0
318.11752	5.7
334.11734	5.2
335.12500	35.8
339.13510	3.0
357.14432	2.4
374.12424	1.8
401.12958	2.2
437.15384	5.0
437.20340	5.1
479.16772	69.9
480.17108	5.3
497.17407	19.8
497.22455	2.3
510.15579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76556	2.1
59.01384	15.7
61.98844	3.6
71.01384	14.7
71.54307	2.2
71.95667	2.1
75.00906	2.7
78.03522	3.0
78.95894	3.3
80.05065	7.0
82.02979	2.2
85.02958	5.1
87.00877	6.4
89.02447	9.4
93.03515	2.1
94.06646	8.1
95.03824	2.3
96.08202	4.1
96.96049	3.6
97.01720	4.0
97.02956	2.3
99.00879	2.3
101.02464	7.5
105.01937	2.7
106.03008	6.3
106.06646	3.9
108.04576	3.6
109.05331	2.8
113.02451	2.3
119.03516	3.2
120.04559	11.4
121.05350	3.8
122.06135	29.4
123.04552	2.3
123.06905	3.8
124.07685	38.1
135.04501	2.4
136.04044	13.2
138.05627	4.4
140.07196	4.1
148.04059	75.7
148.07707	2.6
149.04611	6.1
150.05640	28.6
153.05602	3.1
154.08263	2.0
161.04671	2.9
165.04048	6.7
166.05067	11.9
166.50703	2.0
167.03452	2.8
167.07150	4.0
168.06650	8.3
173.04579	3.4
191.05630	11.9
194.04564	4.2
197.07204	2.5
200.09535	2.1
203.03284	12.3
210.04161	3.9
211.08778	2.4
212.09528	6.4
213.10347	3.0
215.08253	4.4
215.11920	6.7
225.06734	8.0
225.10280	2.8
226.11057	3.6
227.08350	3.3
227.11880	22.7
228.05171	2.3
229.09830	6.7
229.13365	4.3
230.10629	6.0
231.11430	21.4
240.09041	16.9
241.09796	5.7
242.10410	2.8
243.11366	16.8
255.11401	34.0
259.10886	2.2
272.11731	11.5
273.12488	62.7
274.09875	3.0
274.12738	4.0
275.10400	18.7
287.10297	3.3
291.13596	8.8
293.08710	2.8
299.10361	15.7
316.10675	23.3
317.11420	100.0
318.11810	4.2
334.11856	9.3
335.12463	25.4
372.89111	2.1
437.15704	26.3
461.16476	2.5
479.09952	3.9
479.16724	66.5
480.16818	5.1
497.17511	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95634	10.7
59.01377	35.1
69.48856	73.5
81.67337	11.7
96.95992	30.5
97.06607	13.5
109.06623	14.1
117.54502	11.4
137.06085	22.3
178.83839	10.9
221.34778	12.1
303.25870	12.1
374.83249	10.6
419.55963	13.4
433.33301	24.9
451.34000	34.4
459.35095	13.5
495.32932	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	495.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	22.7
61.98829	18.9
81.54186	13.6
86.09611	13.3
95.95927	12.3
98.19861	32.7
102.65213	13.7
125.06056	14.9
151.07660	15.0
276.09775	14.4
296.26987	15.4
389.34518	19.1
451.34302	45.4
459.35345	23.1
495.33279	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	496.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01385	67.3
60.01700	3.0
61.98837	100.0
62.89766	1.1
71.01382	10.9
71.56863	1.7
72.99303	1.8
73.02936	4.1
75.00869	4.7
78.95900	3.8
85.02945	4.0
85.69077	1.2
87.00865	1.5
89.02445	2.4
93.03428	2.3
101.02442	7.1
108.02174	1.5
109.02982	2.5
113.02482	2.8
113.09728	3.4
133.02939	1.2
135.04521	1.8
141.01752	1.7
144.04547	3.1
152.01114	2.7
161.04472	1.6
172.04128	1.3
173.04616	3.3
180.00758	1.1
185.11858	26.5
191.05663	6.4
204.06593	1.7
206.30006	1.1
225.44151	1.2
246.83406	1.3
252.12685	1.4
296.11551	1.7
328.10446	1.7
347.17093	6.3
389.18106	12.0
420.19302	5.3
436.22589	3.0
464.18243	6.5
495.30737	1.6
496.20819	4.3
496.32117	3.1
497.16708	4.8
497.27933	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	495.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98835	2.2
69.03435	1.4
71.05024	1.7
71.18667	3.2
75.00881	2.6
83.05006	1.9
84.54319	1.3
87.00876	4.1
94.33038	1.5
96.13594	1.5
97.06618	2.8
99.04537	2.3
101.91932	1.7
109.02942	1.9
121.06593	1.6
125.02399	1.8
128.20865	1.6
139.07646	2.6
139.36212	1.5
185.13521	1.6
192.82701	1.4
221.15431	1.5
369.30276	2.6
413.30682	3.0
435.35217	1.8
451.38358	1.9
457.33243	6.3
459.34842	100.0
460.35159	8.7
475.07663	1.5
477.36084	1.6
495.32098	8.2
495.37427	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	495.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.4
61.98837	10.5
69.19770	100.0
76.00882	9.1
78.95950	10.4
83.05045	14.5
97.59865	8.7
101.07108	12.6
111.04530	39.5
112.90006	9.9
125.05997	11.5
139.55370	9.8
204.02588	9.3
251.77010	9.4
407.35300	10.5
433.33118	15.6
451.34195	28.4
459.34763	28.4
495.32697	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	38.9
61.98840	15.1
70.77277	10.8
71.56223	17.2
76.39085	11.2
77.25189	13.3
83.05051	14.3
87.00881	100.0
95.88961	11.2
101.41183	9.9
104.43044	10.4
111.04534	24.9
123.08156	19.0
127.03976	11.9
157.35074	11.6
167.07106	11.8
283.78119	11.4
289.73782	11.7
345.31021	12.4
393.07410	11.3
433.33194	13.0
451.34366	42.4
459.34860	34.1
495.31955	80.6
495.38138	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	495.2651
Annotation	Prochaetoglobosin II
Peak:m/z	Relative Intensity
64.89571	0.6
69.31686	5.7
98.88512	0.6
112.32897	0.7
116.23566	0.8
139.07532	0.6
150.42838	0.6
203.84535	0.8
205.21376	0.7
325.83115	0.8
437.30606	75.3
438.31055	6.1
457.32822	0.8
495.26501	100.0
496.26816	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	495.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35778	0.5
57.03459	4.1
59.01389	18.8
59.77027	0.6
61.98833	3.7
71.01390	25.4
71.55180	0.6
72.01727	0.6
72.99313	1.1
73.02952	9.3
75.00855	1.2
78.31792	0.4
81.35600	0.4
83.01389	4.9
83.05059	0.5
83.64976	0.5
85.02959	15.5
87.00892	2.1
89.02462	5.9
93.03443	0.7
95.01399	2.9
96.96033	1.1
97.02960	0.9
99.00890	3.8
101.02457	21.7
111.00873	2.8
113.02464	9.3
119.03510	1.7
128.68527	0.5
129.02011	1.1
131.03543	0.8
133.02982	1.0
135.04575	0.6
137.02533	0.6
143.10808	1.3
155.80627	0.6
159.03052	1.9
161.02440	0.9
161.04570	4.5
173.04565	0.9
180.27182	0.6
191.05603	2.4
229.18124	1.9
311.86035	0.6
318.04858	0.6
331.25003	2.8
333.26508	13.3
334.26886	0.8
425.70340	0.6
489.58112	0.6
494.73514	0.9
495.31775	100.0
496.32172	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	495.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
56.86923	0.8
57.03445	2.0
58.00596	3.4
59.01385	100.0
60.01719	1.4
60.56184	0.8
61.98827	5.7
69.40195	2.0
69.40604	4.9
71.01387	38.7
72.99316	5.0
73.02953	19.9
75.00888	1.3
78.95911	4.4
83.01403	6.2
85.02956	11.9
87.00884	6.0
87.04515	2.0
88.26865	1.1
89.02454	37.0
95.01373	2.3
96.97000	1.0
97.02950	1.6
99.00866	1.5
101.02456	46.7
103.04015	10.9
113.02460	11.9
115.04028	3.2
119.03492	14.7
125.02487	4.4
131.03534	7.8
135.04478	2.1
143.03513	8.7
145.05110	2.8
149.04533	1.5
159.02946	1.2
161.04573	4.0
163.06148	42.5
173.04596	1.0
179.05576	6.4
191.05659	2.0
205.07179	19.8
235.08122	1.1
265.09253	2.7
289.16577	2.7
300.53058	1.0
363.23978	5.2
435.22388	42.7
436.22534	3.0
495.22635	2.1
495.28894	5.4
514.18738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01387	100.0
61.98833	22.4
71.01379	18.3
72.99315	3.7
73.02950	7.6
83.01383	3.9
85.02953	10.4
89.02417	9.8
89.87016	2.1
92.61732	1.7
98.20672	5.8
99.00869	3.7
101.02447	10.4
113.02451	6.0
119.03507	2.6
125.02448	3.2
128.65131	2.0
151.07666	2.6
159.81029	2.0
161.02399	2.0
161.04547	4.3
167.03583	2.3
173.04570	2.9
185.11909	2.8
191.03745	1.9
191.05560	6.7
213.96893	2.3
258.72556	1.9
289.16409	3.0
333.26544	3.8
373.22217	3.5
389.18314	2.4
415.23166	6.4
435.22360	8.2
436.22449	2.3
495.31552	19.3
516.37653	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
58.00588	1.3
59.01385	45.9
60.90786	0.7
61.98839	14.9
68.95348	0.7
71.01389	20.2
71.05031	0.7
71.09468	0.7
71.09809	0.9
72.97512	1.5
72.99308	1.8
73.02950	5.8
75.00877	4.1
78.91901	4.5
78.95921	1.4
83.01385	2.9
85.02951	8.5
87.00874	1.6
89.02457	7.0
90.66472	0.8
93.03483	1.9
95.01398	1.6
96.96030	1.9
97.02953	1.4
99.00892	3.6
101.02454	17.4
102.02744	0.9
111.00898	0.8
113.02453	7.9
119.03525	1.7
129.69946	0.9
131.03490	1.9
133.02875	1.1
135.04469	1.1
137.02412	2.3
139.04024	3.0
141.01891	1.5
149.04613	1.7
149.06049	0.9
159.02953	1.5
161.02498	0.9
161.04558	3.7
165.01904	5.2
165.09248	2.5
173.04562	1.7
177.02080	0.9
191.05551	5.4
211.16957	1.0
230.04144	1.0
238.00363	0.9
250.99530	0.9
271.19162	1.4
289.05444	1.1
293.09048	1.1
315.17926	4.6
316.19199	1.0
333.19208	1.2
345.08221	2.1
415.22763	0.9
417.21320	2.1
433.24817	1.1
435.22299	9.8
459.07230	0.9
477.23746	5.6
495.24615	100.0
495.30899	4.2
496.24976	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	495.1526
Annotation	Oxypaeoniflorin
Peak:m/z	Relative Intensity
59.01371	3.7
61.98828	1.2
69.03459	0.8
71.01380	2.5
71.54692	1.2
78.95522	0.9
78.95907	8.0
83.05002	0.8
85.01020	2.4
85.02958	6.3
87.00882	2.1
88.98786	1.0
89.02442	2.5
93.03463	3.9
93.91290	0.8
95.69496	0.9
95.78846	0.8
96.96026	6.3
96.96950	5.9
99.04522	1.8
101.02454	1.3
109.02972	2.6
111.04532	2.4
113.02456	2.3
127.03970	1.8
132.13287	0.8
135.04533	17.9
137.02483	1.8
153.01910	2.6
165.05586	1.3
171.03033	0.9
173.04453	1.2
191.05615	39.3
192.05994	1.6
199.04175	2.5
217.05222	8.1
270.96808	2.5
272.94614	1.0
287.05798	1.6
297.09818	4.6
301.07339	1.4
315.07257	1.9
321.09802	1.3
340.61099	1.0
359.09662	1.5
379.10526	1.6
397.13260	1.0
409.79828	1.1
495.15353	100.0
496.15610	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	493.3902
Annotation	Ekeberin D2
Peak:m/z	Relative Intensity
59.01374	1.5
61.98827	1.7
71.54261	1.1
74.63540	0.8
78.95927	3.5
83.38304	0.8
84.75074	0.7
107.06071	0.7
148.22380	0.8
152.98575	0.8
152.99574	4.8
190.01045	0.9
250.99707	0.9
256.23694	1.1
269.24890	3.0
279.23322	7.5
322.65967	0.8
429.37463	1.0
431.38953	23.2
432.39420	1.0
457.34088	1.6
475.24509	1.9
475.37955	26.5
476.38138	3.0
493.39096	100.0
494.39450	11.3
503.20541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98835	100.0
67.01900	0.6
68.99791	0.4
69.73961	2.2
71.01387	0.8
78.95931	0.6
85.02948	0.5
87.00871	0.5
89.02446	0.9
93.03492	0.7
96.96021	0.9
113.02469	0.7
117.90547	0.4
124.64851	0.4
135.04492	0.6
137.02423	0.6
139.00421	0.5
148.05386	0.6
165.05701	0.5
173.04655	0.7
175.04059	0.6
191.05656	1.1
230.05873	0.5
245.08371	0.7
258.01941	0.5
273.04218	1.3
278.34225	0.5
333.06400	0.8
360.93155	0.5
415.86697	0.5
451.12741	0.7
487.97131	0.5
495.11459	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	494.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.3
61.98835	100.0
65.60960	0.3
69.88792	1.0
69.89225	0.9
75.00825	0.3
78.95933	0.5
83.38340	0.3
89.02458	0.5
93.55597	0.3
96.96058	0.6
96.96993	0.9
98.19952	0.3
105.25891	0.3
109.71408	0.3
116.40737	0.4
137.02495	0.9
144.53011	0.3
151.79829	0.3
266.67380	0.3
344.57623	0.4
508.24265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1508
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
57.03447	1.1
59.01387	11.9
61.98833	5.6
64.68329	1.2
69.52500	5.7
71.01384	17.1
73.02966	3.3
78.95911	26.0
83.01395	2.6
85.02949	6.3
87.00896	1.7
88.98804	1.8
89.02448	6.8
93.03464	35.5
95.01438	1.3
96.96973	8.3
96.99318	1.2
99.00908	1.9
99.04452	1.3
101.02452	13.6
107.05042	1.2
108.02189	1.9
113.02463	7.2
119.03532	1.0
121.02957	3.4
122.03761	5.9
125.02461	1.3
125.10867	1.0
131.03516	1.6
132.22862	1.0
133.02971	1.4
135.04529	3.3
135.26038	1.1
136.01682	3.7
137.02455	69.3
147.04637	1.7
149.02458	2.9
150.03235	61.3
151.00409	1.1
151.04021	1.9
153.05595	4.0
161.04590	1.1
165.05580	86.8
166.05927	3.1
173.04665	1.1
179.03520	2.3
180.04240	1.6
181.05103	2.5
191.03784	1.5
191.05644	5.6
192.43120	1.0
196.44394	1.0
197.57504	0.9
219.07051	1.0
221.04475	1.1
223.06107	1.5
274.63297	1.1
281.06674	100.0
282.06955	5.2
315.18286	3.0
435.18738	3.8
495.15048	72.1
495.24380	5.8
496.15518	5.5
496.24683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.1
57.71238	8.5
59.01393	52.8
59.01650	8.2
61.98835	23.6
71.01386	8.4
71.56550	12.2
71.93311	8.7
73.02959	36.2
73.07520	8.6
78.95910	9.8
108.57153	8.3
156.66447	8.3
157.08713	7.5
162.06897	25.8
177.09198	19.0
259.65826	8.5
315.39914	8.6
333.14856	8.2
359.29480	25.9
396.87250	9.8
399.32599	31.8
411.32239	11.8
449.32623	12.7
457.32794	8.8
493.31927	15.3
493.38794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63678	42.6
59.01376	72.2
71.55634	44.3
71.56010	48.8
87.00877	71.0
107.57618	42.9
122.91939	45.0
133.05121	45.9
137.09753	100.0
273.24918	49.6
403.32077	50.2
457.36823	72.3
493.35986	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31572	17.1
56.01732	18.1
59.01379	55.8
61.98831	31.1
63.29129	19.6
64.66189	16.9
69.85976	100.0
87.00870	20.9
118.09874	19.1
125.02460	31.5
142.52243	19.4
148.97781	17.7
220.85281	23.8
279.23355	41.1
411.20801	70.6
449.32626	20.7
457.33295	30.6
493.30914	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39430	13.5
50.48978	12.1
59.01398	17.3
71.00948	30.6
87.00865	15.1
146.36794	11.7
196.94728	13.4
258.29486	14.1
293.87589	12.8
296.69589	13.3
405.33865	23.0
420.46136	15.7
457.32965	100.0
475.34378	18.3
493.35895	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66320	19.4
56.83887	17.0
59.01389	22.5
70.87865	24.4
70.88203	34.2
73.59342	17.4
75.71436	15.4
95.04997	24.4
116.63724	19.6
150.77759	19.5
172.18372	16.7
265.65652	16.9
329.56226	19.0
405.33685	99.1
433.33246	72.0
449.32486	20.6
457.37198	100.0
493.32605	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42694	1.6
55.01864	1.7
57.03442	5.2
59.01387	100.0
61.98832	9.6
67.01884	2.6
69.29719	9.3
69.30123	2.6
71.01390	37.8
72.99308	2.5
73.02948	11.6
75.00859	1.6
78.95891	1.8
81.03450	1.4
83.01389	4.9
83.05034	2.2
85.02969	13.6
87.00894	3.4
89.02450	20.4
93.03468	12.6
93.79395	1.3
95.01383	2.8
95.88477	1.4
96.96037	2.3
97.02966	2.4
99.00883	4.0
99.04575	1.9
99.08166	1.9
101.02453	28.0
111.04517	2.8
113.02464	15.3
116.76294	1.3
119.03497	8.5
121.03048	1.3
125.02423	2.8
131.03448	1.9
135.04538	3.3
137.02426	3.4
139.04001	2.5
149.04550	3.0
155.17618	1.4
161.04546	15.5
173.04555	23.6
174.05602	1.7
179.03508	2.2
179.05597	4.2
191.05626	10.1
194.93980	1.4
203.05679	1.7
259.33804	1.4
271.19208	8.3
319.21259	21.3
331.08389	3.3
331.17587	2.7
337.53479	1.5
403.15057	4.5
408.24799	1.6
433.24457	82.4
434.24771	6.6
493.13373	3.5
493.22726	8.0
493.26596	8.0
494.27167	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
59.01385	100.0
61.98541	1.2
61.98841	16.9
71.01387	27.1
72.99281	1.9
73.02949	7.1
75.00887	5.0
78.95889	1.5
83.01391	2.9
85.02950	11.4
87.00876	1.7
89.02455	17.2
93.03464	2.8
95.01386	2.6
96.96002	4.4
96.96992	5.2
97.02936	1.4
98.20698	1.9
99.00886	2.3
101.02452	20.5
109.73502	0.9
113.02470	11.1
119.03539	7.0
123.46949	1.0
125.02400	1.5
131.03506	1.7
143.03468	2.5
148.35870	1.6
149.04584	1.0
150.03183	1.1
151.00397	0.9
155.44225	1.1
161.04578	9.8
173.04532	3.3
179.05612	4.1
181.04993	1.0
191.05592	2.9
200.49176	1.1
269.08118	1.7
271.19202	2.2
289.36044	1.0
313.16544	3.5
319.21378	1.6
331.08307	1.0
331.17477	3.1
355.57404	1.1
373.22437	2.5
391.23495	8.3
433.24500	43.9
434.24698	3.0
457.18057	1.3
493.13547	2.7
493.23083	16.5
493.29922	2.5
493.74115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23612	1.0
59.01388	1.7
60.99310	1.2
61.98829	1.3
68.70361	1.5
71.56573	1.8
90.64775	1.1
118.50962	1.1
121.06579	1.1
152.99593	1.3
191.37047	1.1
234.58911	1.1
356.89484	1.1
389.28473	3.3
423.28998	10.9
449.26208	2.2
449.36655	2.1
457.33054	9.5
467.27829	2.2
475.34799	1.4
493.24963	100.0
493.35995	4.6
494.25165	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	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03439	3.0
59.01384	89.2
59.25254	1.1
61.98838	4.1
69.79031	4.5
69.79448	2.3
70.95440	1.3
71.01388	28.0
72.99331	2.7
73.02953	9.1
75.00876	2.5
83.01382	4.3
83.05124	1.2
85.02955	13.1
87.00867	4.0
89.02454	12.1
91.36989	1.1
93.03481	3.5
95.01433	1.3
96.96105	1.4
97.02969	2.0
99.00879	3.6
101.02445	24.3
103.04031	1.6
105.01900	1.6
111.04601	1.6
113.02464	12.5
119.03522	3.8
122.06199	1.2
124.01679	9.7
136.53700	1.2
137.02454	4.0
139.03047	2.1
139.04025	23.5
143.03482	2.1
149.02321	1.2
151.00340	2.1
159.02989	2.4
161.04556	13.0
163.04004	2.3
165.01956	4.7
166.05119	2.6
173.04536	8.9
178.99843	1.8
179.03513	1.4
179.05569	1.8
191.05606	7.2
193.01390	2.1
243.67308	1.2
271.19153	10.3
276.14001	1.2
301.20074	1.9
303.08716	7.0
319.21240	27.4
331.08258	15.0
403.15219	1.3
418.41129	1.2
433.24429	100.0
434.24817	8.8
493.13297	10.7
493.21539	3.1
493.26517	6.0
494.13358	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	493.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
58.00595	1.1
58.13155	0.9
59.01385	100.0
60.01728	1.8
61.98825	2.5
62.93741	1.0
69.17310	12.0
69.82867	1.0
71.01387	19.2
71.05035	2.0
73.02963	5.4
74.50370	1.1
75.00895	1.0
83.01395	1.8
85.02949	7.5
86.00104	1.2
89.02451	9.4
97.73002	1.2
98.17081	1.0
101.02454	12.6
113.02466	8.0
119.03513	3.6
131.03513	3.3
143.03503	1.8
149.04510	1.3
155.94333	1.1
161.04585	4.4
179.05615	1.4
191.05630	2.5
219.43393	1.1
246.91562	1.1
264.99341	1.1
331.25003	1.8
371.20581	1.6
382.21661	4.1
413.21576	1.8
433.20499	2.2
462.73587	1.7
463.24722	2.0
493.30331	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1354
Annotation	Dihydroprudomenin
Peak:m/z	Relative Intensity
53.94855	0.7
59.01384	14.4
59.80824	0.6
61.98837	13.3
62.58422	0.7
63.02415	0.8
63.51841	0.7
65.00346	3.3
69.71129	1.6
69.71533	2.6
71.01394	6.0
73.02950	1.7
75.00885	1.5
75.10891	0.7
78.95919	1.5
83.01391	1.2
85.02946	1.8
88.98826	1.4
89.02454	4.1
95.01412	1.6
96.96014	3.5
96.96971	2.8
97.02956	2.5
98.20632	1.3
99.00883	1.4
101.02457	3.3
111.00868	1.0
113.02460	2.6
119.03468	0.8
121.03046	1.9
122.03763	1.3
124.01673	36.7
131.03531	1.1
134.92116	0.8
135.04530	0.8
137.02458	2.6
138.02003	5.4
138.05640	2.4
139.00459	1.7
139.04025	100.0
140.04362	2.8
148.01665	3.2
149.02444	1.3
149.99544	1.1
150.03258	3.0
151.00343	5.1
152.01195	3.4
153.05589	2.8
154.14514	0.8
161.04596	2.4
163.04018	3.1
164.85707	0.9
165.01938	21.4
165.03297	1.5
165.05576	1.0
166.02638	1.3
167.03477	3.5
169.01436	0.8
173.04593	1.0
178.99876	6.8
179.03450	1.1
181.05075	1.0
191.03757	0.9
191.05666	2.8
193.01410	9.1
256.03857	1.3
257.04590	1.8
271.06155	1.7
272.06937	4.5
273.04120	1.3
277.07251	0.9
284.03122	0.8
287.09314	5.0
288.06580	4.2
295.08459	1.7
299.05649	2.9
303.08762	48.2
304.09058	3.3
319.21249	1.2
321.30249	0.8
331.08249	97.9
332.08572	6.9
345.09845	2.0
433.15491	1.1
433.24448	6.5
493.13367	0.9
516.75391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3386
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
57.03455	2.2
59.01385	100.0
61.98854	1.4
71.01064	1.2
71.01380	7.9
73.02982	2.5
75.00899	2.2
77.76502	1.4
85.02985	2.3
89.02466	4.4
96.96027	2.5
97.06612	1.9
98.20673	4.3
101.02472	6.1
102.24787	1.2
103.63948	1.3
111.08202	2.4
113.02460	2.7
119.03536	1.9
170.80783	1.4
183.10344	4.1
225.43448	1.4
278.57990	1.4
282.04266	1.4
293.21307	7.6
307.22815	3.3
311.26010	6.8
359.24753	2.7
384.26962	1.4
413.31488	1.9
429.33887	4.2
431.32056	3.1
473.33136	5.2
491.34137	53.0
492.34854	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	492.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01386	7.0
59.03009	0.3
60.01728	0.5
61.98836	100.0
69.23714	0.5
69.24118	3.1
71.01387	1.8
73.02966	1.0
85.02969	0.9
89.02448	1.9
99.04535	0.6
101.02438	2.0
113.02463	0.9
114.74462	0.3
116.59761	0.4
119.03565	0.4
120.99693	0.4
135.04507	0.3
163.06187	0.6
173.04628	0.4
191.05649	0.6
312.02573	0.4
318.13986	0.4
331.08475	0.5
360.94321	0.4
432.23270	0.8
433.24786	1.5
492.09055	1.3
493.23517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50790	2.3
55.73956	2.7
59.01381	17.5
61.98810	2.6
69.36320	21.3
73.02914	8.9
78.95870	10.1
96.95985	3.1
110.68712	2.3
125.02400	3.3
137.06053	2.7
149.05885	2.6
150.06874	30.5
151.07391	2.5
152.99586	17.0
161.67816	2.5
162.06879	71.9
163.07448	5.6
168.93689	2.4
176.08347	4.6
177.09209	34.4
195.17438	6.5
213.01494	2.3
216.03336	2.5
239.16455	5.6
277.21790	17.9
305.17383	2.1
313.23892	45.8
314.24039	3.4
413.30405	3.4
447.34415	8.5
473.22433	4.9
473.32681	48.9
474.32669	5.7
491.33414	100.0
492.33640	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
70.77163	4.6
70.77515	2.7
71.80260	1.8
73.93941	1.7
74.15629	1.9
85.02959	100.0
87.04527	5.1
91.05525	2.2
123.63969	2.5
131.03514	41.4
135.04529	2.0
137.02451	5.1
145.90027	2.4
165.05544	3.1
181.01460	3.5
207.46277	1.9
256.03159	1.9
447.31177	8.7
491.33530	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	491.2864
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01906	0.6
57.03449	0.9
59.01382	6.5
60.98326	0.6
69.27530	4.3
69.27930	1.5
71.01401	5.8
73.02940	1.3
79.05802	0.6
83.01382	1.1
85.02954	3.8
89.02444	1.9
101.02438	2.8
107.00830	0.7
113.02429	1.0
125.09727	1.6
127.11275	2.5
139.11340	1.3
145.84731	0.6
149.91556	0.6
155.14401	0.8
165.21169	0.7
167.14365	0.8
171.10274	6.7
183.13860	2.1
195.13933	0.9
200.69545	0.6
209.11856	2.0
211.13402	15.0
226.50714	0.7
229.14459	36.6
230.14912	0.9
293.21271	4.8
311.22357	4.7
313.23868	1.9
329.23370	18.6
330.23672	1.3
357.50940	0.8
391.19659	2.6
425.26456	0.7
430.87201	0.8
466.67822	0.9
473.27548	1.1
491.28635	100.0
492.29089	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33928	16.3
56.21207	15.9
59.01389	100.0
61.98840	47.1
71.55733	29.1
87.04497	17.9
95.96445	15.8
97.29560	16.0
125.02464	40.6
134.88643	16.5
157.04980	15.9
163.83752	18.3
177.29645	20.9
209.11856	18.5
252.89420	16.0
260.14838	17.6
277.21680	38.3
473.23517	18.6
491.33423	63.1
491.37036	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98834	1.3
57.03448	7.8
59.01385	100.0
60.01702	1.4
61.98831	4.4
63.70444	1.2
70.01997	5.1
71.01392	20.0
73.02959	22.3
78.93948	1.3
83.01402	8.4
85.02953	4.1
87.00909	1.9
89.02451	9.7
98.20592	1.7
99.04535	4.1
101.02447	27.0
113.02468	8.5
118.08695	1.5
119.03506	3.6
121.06961	1.2
125.02428	4.4
131.03493	2.5
143.03503	2.5
149.04550	3.2
153.09245	3.7
155.03569	1.7
161.04550	9.6
173.04578	4.5
191.05576	2.4
208.69179	1.2
209.15501	2.8
221.06577	1.7
346.20108	1.4
347.16882	3.7
355.65552	1.7
371.20850	4.2
431.22998	7.3
490.27310	2.5
491.28708	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	491.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98834	1.3
57.03448	7.8
59.01385	100.0
60.01702	1.4
61.98831	4.4
63.70444	1.2
70.01997	5.1
71.01392	20.0
73.02959	22.3
78.93948	1.3
83.01402	8.4
85.02953	4.1
87.00909	1.9
89.02451	9.7
98.20592	1.7
99.04535	4.1
101.02447	27.0
113.02468	8.5
118.08695	1.5
119.03506	3.6
121.06961	1.2
125.02428	4.4
131.03493	2.5
143.03503	2.5
149.04550	3.2
153.09245	3.7
155.03569	1.7
161.04550	9.6
173.04578	4.5
191.05576	2.4
208.69179	1.2
209.15501	2.8
221.06577	1.7
346.20108	1.4
347.16882	3.7
355.65552	1.7
371.20850	4.2
431.22998	7.3
490.27310	2.5
491.28708	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.9
59.01385	81.0
61.98836	12.4
64.15116	3.6
69.43126	25.7
71.01013	5.1
71.01386	80.7
72.99310	4.9
73.02956	26.1
75.00886	4.0
78.95906	4.2
83.01396	9.5
85.02959	30.4
87.00880	10.7
89.02448	30.6
93.03471	3.9
95.01382	7.4
96.95998	5.4
97.02947	5.9
99.00893	9.5
101.02448	63.0
109.02804	3.5
111.00896	3.7
111.04514	3.4
113.02467	38.4
119.03505	9.6
120.01293	3.2
121.02971	4.4
123.00932	14.4
123.04461	4.6
125.02465	37.1
135.04541	23.9
137.02449	10.4
138.05646	5.0
143.03522	3.8
153.05626	6.7
159.03023	8.0
161.04562	38.1
165.05620	3.8
166.06325	3.7
167.03551	3.0
167.07117	8.8
179.05595	9.5
191.03540	2.9
191.05617	13.1
197.04539	32.5
210.69563	3.0
233.06653	3.7
263.07443	3.4
269.10333	25.6
293.08771	5.2
314.81833	3.3
350.42520	3.5
418.11096	6.5
419.11945	4.4
431.15509	100.0
431.22589	25.0
432.15857	9.4
491.13702	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	491.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
70.51571	0.9
70.51913	1.1
71.01383	3.3
71.79866	0.6
72.99316	10.7
73.02950	0.6
78.95926	1.5
81.49920	0.5
83.01396	0.6
84.95143	0.9
85.02969	0.8
87.00880	0.6
89.02451	2.4
96.96031	2.0
96.96983	1.6
101.02446	1.6
109.02973	3.8
121.02952	0.6
123.04537	2.6
125.02462	2.0
131.03534	0.7
134.03741	1.5
135.04546	100.0
136.04881	2.8
137.02426	0.8
149.04610	0.8
163.06168	0.7
164.96075	0.4
165.05618	1.0
167.03502	1.6
179.43277	0.5
191.05627	1.5
233.06593	0.8
293.08917	5.3
307.10443	0.8
403.12576	1.5
409.04236	0.6
429.14081	22.3
430.14352	1.5
432.65363	0.6
491.14127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68377	0.8
59.01387	18.2
61.98819	4.5
70.04600	2.4
70.05009	1.7
71.01383	8.2
73.02948	1.8
78.95913	54.0
79.95758	2.2
83.04993	0.8
84.95123	1.6
85.02965	2.4
87.00887	0.9
88.98808	6.8
89.02447	8.9
96.96012	70.8
96.96964	100.0
101.02431	4.9
113.02472	2.7
119.03516	2.5
125.02393	1.0
149.02440	4.3
161.04558	1.7
191.05626	3.0
285.07706	2.1
314.11835	1.0
329.13870	2.6
431.22855	6.2
449.23303	1.0
484.35837	1.0
491.19495	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	491.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
59.62400	0.9
60.89080	0.7
61.98833	4.8
67.71519	0.9
69.35873	5.4
69.69573	0.8
71.01381	9.1
73.02953	1.8
74.36436	0.7
78.95909	55.7
79.95737	1.5
84.95116	1.0
85.02962	2.7
88.98817	3.0
89.02449	8.1
90.16909	0.8
93.03441	0.9
96.96020	60.6
96.96974	100.0
99.00887	1.0
101.02429	4.0
109.02983	0.9
111.04575	1.1
113.02461	3.7
119.03525	1.0
121.85885	0.8
131.03543	0.9
133.02888	1.1
149.02475	4.1
150.03099	1.1
161.04576	1.4
167.03539	0.9
170.92056	0.9
179.05655	1.9
191.05670	2.6
227.03893	0.8
269.17484	1.1
285.07739	2.5
314.11456	1.3
325.00873	0.9
329.14014	2.5
403.65985	0.9
411.70193	0.8
431.22955	5.3
442.62088	0.9
491.19617	9.2
492.19446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.94323	0.8
57.03445	1.0
59.01382	8.3
59.14273	0.6
60.99305	2.7
70.55393	2.1
71.01401	1.1
71.05026	2.8
84.56673	0.7
85.02952	1.0
85.06583	1.4
95.05100	0.8
96.96011	1.2
97.06615	0.8
101.02476	0.7
101.56424	0.7
111.08128	0.7
189.12872	1.2
191.14432	3.0
221.92619	0.7
237.14937	3.3
343.26501	0.8
347.56693	0.7
357.28226	1.1
401.34164	0.9
413.30600	1.0
425.34430	3.6
445.32953	1.1
471.34265	3.4
489.36530	100.0
490.36703	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	491.1197
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03447	0.8
57.97890	0.3
59.01381	7.4
61.98826	0.9
65.00328	0.8
66.02644	0.5
69.73325	1.1
69.73721	0.8
71.01382	1.6
73.02946	0.6
77.66936	0.3
77.87718	0.4
89.02444	0.9
91.83085	0.5
97.02949	0.6
99.04513	0.6
101.02456	1.4
103.80165	0.4
113.02515	0.8
120.27788	0.4
121.02955	0.4
124.01694	0.7
125.02503	0.4
130.29892	0.3
133.02991	0.6
139.04044	0.9
147.04465	0.5
151.04048	0.4
161.02444	0.9
165.01944	3.5
173.04538	0.8
186.03178	0.5
189.01907	0.6
191.05621	0.5
193.01500	0.8
197.02454	0.9
198.03156	0.9
199.03992	0.4
204.04350	0.9
205.05025	0.7
213.01907	0.7
214.02719	4.4
215.03470	0.4
225.01895	1.0
226.02693	2.2
227.03520	0.8
228.04259	0.7
229.01503	0.4
229.04988	1.3
241.04964	0.8
242.02208	15.9
243.02827	2.2
243.06537	0.7
253.01469	0.6
255.03006	0.6
256.03763	4.5
257.04562	11.2
258.05023	0.4
269.00806	0.9
270.01709	26.5
271.02444	7.7
271.06073	3.5
272.02664	0.4
284.03323	0.7
285.04059	67.3
286.04449	3.9
298.04849	0.4
299.01987	9.4
299.05649	2.3
300.06393	22.6
301.06827	1.2
312.02994	0.5
313.03549	3.6
314.00714	0.7
314.04370	13.5
315.04816	0.8
317.19583	0.9
321.19794	0.4
323.07578	0.7
327.05173	0.5
328.05887	15.0
329.06665	24.2
330.06857	1.1
365.29449	0.4
371.20807	0.7
431.22986	0.9
491.11972	100.0
492.12317	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	489.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
59.01381	3.8
60.45999	0.5
66.95329	0.5
69.16634	1.5
69.17040	4.8
71.05033	0.8
72.50744	0.5
72.92145	0.5
73.02975	0.6
76.80360	0.5
83.05013	0.8
84.56821	0.6
97.06593	0.7
101.62628	0.5
111.08256	0.6
111.61750	0.5
137.09772	0.8
139.11269	0.7
221.15593	1.9
223.13469	0.7
223.17232	2.0
249.18755	1.3
259.20825	0.7
289.21915	1.2
359.29092	0.6
411.32364	0.7
420.03912	0.7
425.34494	1.6
427.35846	48.5
428.36157	5.3
431.32071	0.9
443.35446	1.4
445.37296	3.0
471.35110	2.9
489.36029	100.0
490.36389	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	489.3592
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
51.92409	0.4
56.09526	0.4
57.03463	0.7
59.01387	4.4
61.98848	0.6
69.23450	0.9
69.23841	4.0
71.01402	1.1
71.05037	0.6
75.00907	0.6
78.95892	1.9
83.05064	0.8
86.93400	0.4
96.96034	1.4
101.98059	0.4
125.02505	0.5
129.05617	0.5
137.09769	0.5
139.11307	0.4
152.99588	2.7
179.14545	0.5
186.47342	0.4
191.14519	1.3
205.16051	1.2
207.17552	11.7
208.18073	0.4
209.19106	0.6
219.17525	0.5
221.15494	0.6
235.17081	0.8
237.18608	20.0
238.19083	0.7
251.16545	5.2
253.18068	2.1
275.23907	1.0
409.31235	0.8
411.32840	2.4
427.36343	2.8
431.22189	0.4
441.33777	0.5
443.35498	1.5
445.37827	3.0
459.35114	1.9
461.33224	0.6
471.35001	5.7
472.35458	0.5
489.36078	100.0
490.36493	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	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98165	0.4
59.01389	3.4
61.98813	0.5
69.39256	4.0
71.05045	0.6
94.81672	0.5
114.19846	0.6
137.09818	0.5
139.11302	0.5
219.17696	0.5
221.15599	0.9
223.17131	1.9
239.16628	0.5
249.18730	1.1
259.20749	0.5
287.20297	0.6
289.21909	1.3
398.33502	0.5
411.32755	0.8
423.32846	0.9
425.34491	2.0
427.35837	60.4
428.36139	6.5
459.35068	0.6
471.34854	2.0
489.36041	100.0
490.36337	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	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03452	1.9
59.01386	38.4
71.01389	9.9
71.05009	1.9
71.57197	0.8
72.99300	1.5
73.02941	3.7
73.91464	0.4
83.01402	2.3
85.02957	5.0
87.00878	1.3
89.02459	3.9
94.24966	0.5
95.01405	0.9
99.00890	1.5
99.08177	2.3
101.02451	8.6
109.06602	1.0
111.00916	0.7
111.08191	3.0
113.02458	3.4
115.04023	9.9
119.03495	0.9
127.07645	0.8
129.02020	0.5
129.09200	1.2
135.04616	0.6
155.07127	1.0
157.12448	0.6
161.02470	1.8
173.08205	9.5
191.05554	0.7
192.85213	0.5
193.70784	0.7
196.98338	0.6
291.19653	1.8
309.20764	3.6
327.21896	1.6
453.24905	4.0
454.25525	0.9
471.26013	8.2
486.03766	0.7
489.27094	100.0
490.27444	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	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66355	0.6
55.01870	0.6
57.03447	1.2
59.01384	15.5
61.72974	0.4
63.13154	0.5
69.03442	0.8
69.94744	2.5
70.09053	0.5
71.01382	7.4
73.02956	2.5
82.62164	0.5
83.01388	1.1
83.05031	1.0
85.02978	4.2
86.98015	0.5
89.02462	3.8
95.01397	0.7
97.02966	0.6
97.06596	1.7
99.04535	0.7
101.02432	4.2
113.02470	2.8
118.25108	0.5
119.03502	0.8
125.09727	1.5
127.11295	2.4
152.11348	0.5
155.10805	6.1
155.14493	0.6
161.04553	0.7
163.11304	0.9
165.12868	1.2
171.10278	9.7
177.72095	0.6
181.12315	0.7
183.13896	1.8
183.86441	0.5
185.11850	0.8
193.12299	0.9
197.11833	1.1
209.11893	2.6
211.13409	11.6
221.11794	1.1
227.12791	0.7
229.14456	30.9
230.14775	1.4
247.20810	0.9
257.13797	0.7
291.19681	5.3
306.82874	0.5
309.20746	4.0
311.22211	1.5
327.21793	8.9
391.19662	3.1
392.20081	0.6
418.49408	0.5
489.27051	100.0
490.27383	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	489.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79647	0.6
56.40928	0.5
57.03453	2.5
59.01385	100.0
61.98832	1.7
63.37110	0.6
69.75810	2.6
71.01385	4.8
73.02954	2.2
78.95916	5.5
83.01422	1.0
85.02972	1.4
89.02466	1.7
93.03490	0.8
96.96013	0.6
98.20637	1.0
99.04531	1.6
101.02459	5.2
113.02495	1.9
117.48237	0.6
119.03568	0.7
123.76788	0.6
125.02470	1.1
131.03535	0.6
141.91821	0.6
143.03525	0.7
147.04489	0.6
161.02393	0.7
161.04626	1.6
173.04565	1.2
177.01978	0.9
191.05652	4.0
195.03027	1.1
213.17157	0.7
243.12411	0.8
345.15564	1.5
373.22433	0.7
429.17856	2.2
443.96313	0.6
489.17703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35413	0.8
57.03461	3.6
59.01385	100.0
60.01722	0.7
61.98822	1.4
70.02888	2.8
71.01393	7.9
71.05019	0.8
72.99332	1.0
73.02934	4.6
75.00886	0.7
83.01389	1.9
83.05017	0.7
85.02943	4.0
89.02460	5.5
96.96027	0.7
99.04537	2.4
101.02467	7.7
111.08187	1.1
113.02482	3.8
115.04010	5.0
119.03520	2.2
125.02470	0.8
128.36063	0.8
136.94495	0.7
154.12370	0.7
159.51993	0.7
161.04520	1.1
173.08195	3.3
191.05643	1.7
285.03922	1.2
291.19702	0.8
309.20740	7.0
316.26715	0.8
345.15500	1.0
453.25024	1.0
470.48288	0.7
471.26074	2.3
489.27112	35.6
490.27765	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01730	0.8
63.22244	0.3
69.64138	1.6
71.01397	0.4
78.95915	1.1
93.75482	0.3
95.34786	0.3
113.02493	0.5
133.02994	0.4
156.18243	0.3
161.02478	0.9
177.01987	1.0
191.05608	0.5
279.24054	0.4
353.09177	0.5
429.21558	0.5
440.97324	0.4
489.17657	0.6
512.67865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.1
59.01110	7.1
59.01387	100.0
62.17691	4.1
69.53934	14.2
69.54350	12.2
71.01382	35.5
73.02953	13.7
81.62847	4.2
84.99753	3.8
85.02974	13.3
87.00919	4.2
89.02454	30.4
89.32503	4.0
93.03454	3.5
95.01398	5.0
97.06616	4.5
101.02444	28.3
107.10455	4.2
111.00927	3.9
113.02479	11.7
119.03522	8.3
149.06241	3.6
161.02441	3.7
161.04478	5.0
179.54655	4.0
180.17519	4.2
191.05574	11.1
207.13881	9.8
225.15025	15.2
309.20856	5.2
327.21729	9.2
404.50214	4.2
489.21725	25.4
489.28091	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01386	100.0
60.01733	0.7
61.98852	0.4
69.23868	1.2
69.24297	2.1
71.01402	1.4
73.02949	0.7
78.07671	0.3
81.11741	0.4
85.02974	0.9
88.61179	0.4
89.02480	0.5
99.04539	1.1
101.02473	1.0
101.06095	0.4
107.16045	0.3
113.02475	0.7
124.34603	0.3
125.02456	0.3
137.02489	0.4
147.51306	0.3
159.84920	0.3
161.04643	0.6
162.99791	0.3
191.05664	0.9
276.33524	0.4
345.15756	0.7
444.22620	0.4
444.77002	0.4
489.26407	2.0
490.27725	0.4
500.74435	0.4
505.24185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.03218	0.7
57.03452	3.1
58.00581	0.8
59.01384	30.7
60.12303	0.6
61.98827	2.5
68.99810	0.8
69.03455	2.8
71.01387	56.3
71.56316	0.9
72.99303	2.5
73.02953	18.9
75.00883	3.1
78.95892	1.0
81.03467	1.5
83.01406	5.2
83.05021	0.9
83.97343	0.6
85.02959	18.7
87.00874	4.5
89.02451	21.0
93.03468	1.8
95.01396	4.1
96.96006	1.9
97.02937	5.5
99.00886	14.1
99.04513	2.0
101.02451	34.4
109.02948	1.0
110.50125	0.6
111.00874	1.4
111.04453	0.7
111.08170	4.8
113.02462	18.9
115.04028	4.7
119.03510	1.9
119.05008	1.5
121.02966	1.4
121.63105	0.7
122.03708	0.7
125.02453	12.5
127.04019	0.9
129.01967	0.9
131.03513	3.7
134.03778	0.8
135.04449	1.3
137.02518	0.9
137.06081	2.6
138.00827	0.7
139.07663	40.2
140.07982	0.9
143.03545	5.1
146.03665	0.8
149.04588	4.3
159.02998	4.0
161.04562	30.2
162.04871	1.0
165.05540	0.8
173.04585	2.1
179.05699	1.2
181.05087	7.4
191.05647	7.0
191.07224	1.3
195.10310	3.4
205.03539	1.1
223.07635	0.7
227.03488	1.4
228.04160	1.3
233.06714	10.0
235.06082	1.1
237.06779	0.9
242.05997	0.9
243.06665	2.7
271.06122	4.7
283.09732	1.3
293.08759	11.6
326.30008	0.7
327.08829	2.1
336.80750	0.7
357.15555	12.3
358.15662	0.7
394.35004	0.7
429.21414	3.1
450.34814	0.7
489.19852	100.0
490.20248	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
56.94690	0.6
57.03448	1.7
59.01385	14.8
61.98832	1.7
71.01387	17.6
71.54428	0.7
72.99315	1.0
73.02959	6.6
75.00872	1.2
83.01399	3.2
84.65907	0.5
85.02964	9.0
87.00877	1.4
89.02457	5.8
93.03477	0.8
94.36334	0.5
95.01399	1.2
96.96005	1.1
97.02966	0.5
99.00898	2.1
101.02452	17.6
106.04276	0.8
108.02173	0.6
109.02971	0.6
111.00923	1.1
113.02474	6.8
119.03522	1.6
121.06576	0.8
123.04572	0.8
124.07137	0.5
129.01907	0.7
134.03754	1.2
149.05934	0.9
151.04013	1.0
159.03038	1.2
161.04578	2.6
163.04007	1.0
163.07701	0.6
165.09229	44.2
166.09543	1.6
167.52646	0.5
179.07022	0.7
179.49089	0.6
181.05093	1.2
191.05634	1.4
236.04128	0.5
280.97733	0.5
297.04120	0.8
327.14508	100.0
328.14935	5.9
342.81027	0.6
489.14801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
58.00589	2.7
59.01384	100.0
69.03456	1.6
69.28818	0.9
69.36974	3.7
69.37401	3.4
71.01385	23.1
72.99292	3.1
73.02952	27.1
81.03416	0.8
85.02960	11.1
87.00892	8.8
87.04519	4.1
89.01937	1.5
89.02454	21.7
99.04544	1.8
101.02453	48.0
102.02801	1.0
103.04019	20.9
113.02425	2.8
115.03987	6.2
117.97335	2.7
119.03510	8.9
125.02457	2.9
127.04018	2.1
131.03528	8.7
143.03508	10.5
145.05093	6.1
161.04553	1.4
163.06137	77.2
164.06416	1.5
167.03485	1.6
179.05591	1.3
205.07195	23.3
235.08072	0.9
265.09290	6.3
369.19177	1.0
387.20239	1.6
429.17361	9.9
463.45932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01387	100.0
60.01720	1.4
61.01791	1.3
61.98851	1.4
69.37277	6.9
69.37684	1.6
71.01386	8.8
72.99342	1.3
73.02964	8.5
78.82415	1.0
83.01395	1.2
85.02957	5.4
87.00898	2.7
89.02457	6.3
93.03492	1.4
101.02444	11.8
103.04025	5.5
113.02482	2.5
115.04053	3.4
117.97309	3.5
119.03512	3.9
125.02392	1.5
131.03487	2.3
143.03494	3.6
145.05092	1.6
153.01973	1.5
153.09213	2.6
155.91028	1.1
161.04550	2.5
163.06161	19.0
173.04579	3.5
179.05565	1.2
191.05621	3.4
199.80086	1.3
205.07196	5.7
223.13458	1.3
225.14899	4.1
265.09430	1.5
327.07336	1.4
344.99438	1.0
369.19189	4.3
387.19943	1.9
393.36060	1.3
429.21179	4.5
454.20447	1.1
489.20319	2.2
489.30453	17.4
490.30353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39133	0.8
59.01107	1.6
59.01386	21.8
60.73738	0.9
61.98843	4.0
66.19111	0.9
69.33292	1.7
69.33702	5.6
71.01389	6.6
78.95944	0.8
83.62342	0.8
85.02950	1.9
87.00887	3.7
89.02451	16.1
93.03473	1.0
95.01422	0.8
101.02442	2.4
108.02197	2.2
113.02451	1.1
118.96110	0.8
119.05050	1.1
123.04537	1.6
133.02972	1.5
133.05074	20.7
134.03749	93.8
135.04132	2.6
136.01672	50.6
146.08289	1.8
149.06087	100.0
150.06425	3.6
151.04019	84.8
152.04369	3.3
161.02437	4.2
161.04593	0.8
163.04062	1.2
163.07468	0.8
165.09245	2.8
173.04648	0.9
176.02983	0.9
191.05602	1.0
193.05128	1.9
194.57112	0.8
211.06116	33.2
211.34886	1.0
216.39845	0.8
231.52544	0.7
235.06438	1.0
263.42441	0.9
327.14499	6.5
355.10416	11.2
356.10303	0.9
373.11389	36.6
374.11612	1.7
383.03857	0.9
445.13611	12.0
451.21838	1.3
461.18991	1.0
489.16174	20.2
489.23352	1.5
490.16159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02440	1.3
54.20646	1.3
57.03450	2.1
59.01384	22.3
69.78539	3.2
69.78951	6.7
71.01389	100.0
72.01702	1.6
72.99313	29.1
74.65401	1.4
75.00839	1.4
78.95895	5.8
84.96738	1.4
85.02946	5.4
87.00882	32.0
89.02458	12.7
93.03489	2.1
95.01330	1.4
96.96006	4.6
96.96961	5.2
101.02433	5.8
113.02429	3.0
115.00378	26.2
119.03509	5.6
119.04963	2.4
120.71386	1.4
129.01949	7.3
134.03761	5.5
135.04512	9.9
136.01631	1.6
147.03008	83.7
147.06592	4.3
149.06053	4.7
151.03926	1.8
153.01851	2.2
173.04526	1.8
179.03519	11.5
179.05602	6.1
191.05626	29.3
195.06578	5.2
211.07677	1.6
216.99144	3.4
223.59120	1.5
224.57550	1.9
237.09221	4.2
247.09854	1.8
267.08722	5.6
296.94720	3.3
341.10876	31.5
342.11444	1.6
353.08789	7.4
391.04276	7.9
402.96027	1.7
429.14270	2.6
452.99573	1.8
471.00247	2.5
489.14340	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	488.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01384	3.7
60.07503	0.3
60.69304	0.3
61.98835	100.0
62.38621	0.3
69.01250	0.3
71.01395	1.3
71.57042	0.4
73.02971	0.3
74.02483	2.0
82.95446	0.4
85.02980	0.4
89.02448	0.6
101.02468	1.0
113.02518	0.3
115.92105	0.4
125.02491	0.4
135.04482	0.3
147.04504	0.4
161.02477	0.9
165.05626	0.4
173.04576	0.7
182.93489	0.3
191.05656	1.4
308.15137	1.0
323.07721	0.3
395.03552	0.3
488.03876	0.6
488.21588	1.1
489.23569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3798
Annotation	Docosyl-3,4-dihydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
59.01388	56.7
60.01738	0.7
60.25995	0.5
69.50362	4.0
72.08766	0.6
84.01365	0.5
85.41921	0.6
115.60480	0.5
116.96989	0.5
163.02463	0.7
280.47989	0.6
341.30606	0.8
388.28583	0.7
423.36258	0.6
425.34415	4.2
443.35294	0.7
487.38174	100.0
488.38538	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	487.3797
Annotation	Docosyl-3,4-dihydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
59.01389	64.9
63.25253	0.4
69.64198	1.9
69.64610	1.1
82.64980	0.5
90.27788	0.5
98.20666	0.6
98.65855	0.5
100.33694	0.4
117.33592	0.5
124.73866	0.5
138.21283	0.5
146.00552	0.5
152.76117	0.5
235.85507	0.5
409.31271	1.2
423.36356	0.7
425.34442	6.4
443.35681	1.0
469.33405	0.9
487.38342	100.0
488.38666	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35120	0.4
59.01378	0.9
70.83569	1.2
71.05032	1.6
76.20694	0.5
81.03421	0.5
97.06587	0.7
97.88364	0.4
98.20586	0.4
100.00285	0.4
115.12195	0.4
124.24609	0.4
212.35841	0.5
301.62598	0.5
407.29596	1.5
423.32669	9.6
424.33051	1.1
425.34436	0.6
439.27939	0.6
443.30899	1.0
455.31604	0.7
467.31390	1.2
469.33240	100.0
470.33585	9.4
487.34903	16.9
488.35175	1.1
513.32239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05024	5.1
81.03439	0.7
83.05032	21.9
84.05386	0.5
125.22584	0.4
127.04030	15.7
165.03497	0.4
186.15993	0.5
194.13141	0.4
229.43857	0.5
233.15471	0.4
235.16861	0.5
265.73502	0.5
304.49808	0.5
308.22040	0.4
341.25119	1.0
355.26422	1.0
357.28058	1.7
359.29526	8.4
360.29861	0.9
403.28223	0.4
413.34296	1.3
425.34830	2.5
443.35422	9.2
444.35947	1.0
457.33270	4.8
458.33459	1.2
469.33231	1.6
485.32858	1.1
487.34378	100.0
488.34686	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	487.3432
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
59.01379	1.3
61.98834	0.4
70.77619	0.8
74.46729	0.3
83.78729	0.4
88.04061	0.7
96.96012	0.4
98.95595	0.4
111.08153	0.6
133.01468	0.4
139.11324	0.5
147.12231	0.4
170.10776	0.4
175.06270	0.3
212.13170	0.4
219.17722	0.4
223.20647	1.5
267.27039	0.3
299.54071	0.4
305.79648	0.3
337.21793	0.6
338.22058	1.0
341.30362	0.7
352.63058	0.4
383.29343	0.5
397.34769	1.0
399.36502	2.8
407.33112	0.9
420.80951	0.4
425.34299	2.0
427.32266	0.4
429.43704	0.4
438.42303	0.4
443.35330	33.8
444.35825	3.6
469.33200	5.9
470.33362	0.7
487.34317	100.0
488.34637	11.2
488.41562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02038	0.6
62.51619	0.5
70.28049	1.8
71.05034	2.4
95.05042	0.9
97.06606	1.0
121.06682	0.7
152.88930	0.7
167.70642	0.6
350.83984	0.6
379.29950	1.8
405.31921	1.4
407.29019	0.8
423.32651	1.0
425.34265	2.3
443.35510	1.2
449.30652	4.9
451.32077	1.3
467.31723	13.7
468.31876	1.1
469.33249	100.0
470.33609	10.3
487.34641	30.2
488.34415	2.1
513.32153	8.0
514.32410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23840	0.6
57.59855	0.6
59.01382	1.1
60.99305	0.6
69.31015	6.1
71.04994	0.8
97.06593	4.2
106.83501	0.8
141.50697	0.6
169.17896	0.6
191.14404	1.7
297.46210	0.7
305.21201	1.1
389.28534	1.6
391.30243	3.9
405.31775	5.4
407.33386	9.6
408.33740	1.5
409.31042	2.0
413.34219	0.9
423.32779	2.8
425.34222	2.2
437.30789	0.8
439.32486	1.6
441.33820	17.1
442.34045	2.7
443.35870	1.3
449.30536	1.0
451.32230	15.3
452.32336	2.5
453.33783	100.0
454.34195	10.0
457.33429	2.9
458.33066	0.8
467.31604	1.9
469.33453	5.8
471.35071	1.3
487.34497	50.3
488.35275	4.6
497.32782	1.9
513.32117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
55.27291	0.8
60.99292	0.9
75.12355	0.8
79.39349	0.9
79.79316	0.9
85.61275	0.8
92.97225	0.8
97.06593	4.2
125.34930	0.8
182.21083	0.7
229.04405	0.8
289.21594	0.8
289.27106	0.8
389.28409	1.5
391.30148	2.9
405.31735	6.8
407.33307	14.2
408.33841	1.4
409.30988	1.8
411.32919	0.8
423.32755	2.8
439.32443	3.8
441.33740	15.8
441.39124	1.3
443.35678	1.0
449.30786	2.1
451.32260	16.5
452.33081	1.3
453.33765	100.0
454.34167	10.5
455.31796	0.8
459.35361	1.5
467.31985	4.0
469.33798	3.7
471.35428	1.3
476.21741	0.8
485.32809	1.8
487.34460	31.8
488.34839	4.2
497.32629	1.1
513.32001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01398	1.2
71.05038	1.4
75.86016	0.5
87.68121	0.4
97.86819	0.5
98.20749	1.2
101.90831	0.6
138.27013	0.5
200.11765	0.5
284.92502	0.6
427.32214	0.8
437.30258	0.9
439.32141	1.5
443.36118	0.7
457.33176	3.3
469.33337	14.6
470.33765	1.8
487.34409	100.0
488.34662	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	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
67.62945	0.4
71.05020	0.6
71.11571	0.9
93.04548	0.4
124.93448	0.4
146.76727	0.4
148.21114	0.4
152.84715	0.3
231.54282	0.4
363.40533	0.5
393.31494	0.6
405.31641	0.9
427.32004	1.2
437.30646	2.3
457.33405	0.5
469.33530	10.1
470.34106	0.5
487.34341	100.0
488.34747	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	487.2321
Annotation	Tiegusanin B
Peak:m/z	Relative Intensity
59.01387	100.0
63.36198	11.9
71.01389	30.6
83.01369	19.5
84.59203	15.9
85.02969	18.0
89.02454	21.4
101.02447	18.8
106.09245	16.0
113.02411	12.5
122.50792	15.7
161.04527	15.2
164.39738	13.4
174.63972	12.6
228.03831	13.7
487.23193	53.0
487.33633	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	487.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03459	5.7
58.00596	3.8
59.01383	89.6
60.01717	1.3
65.34934	0.6
68.99812	0.6
69.03464	2.9
71.01387	100.0
71.02229	2.0
72.01720	1.4
72.80049	0.6
72.99317	6.4
73.02950	17.5
74.18724	0.6
75.00873	1.8
78.95901	0.8
81.03485	1.7
83.01398	10.4
83.15932	0.7
84.09241	0.6
85.02959	31.4
86.00114	1.0
87.00886	7.5
89.02452	93.8
95.01400	4.8
97.02969	3.8
97.54093	0.6
99.00894	5.6
100.87436	0.6
101.02453	74.3
102.02769	0.7
109.03010	0.7
111.00883	7.4
113.02458	28.1
114.02732	0.8
115.04019	1.6
115.85331	0.8
119.03510	11.0
125.02444	5.8
129.01944	1.8
131.03513	50.1
132.03836	0.7
133.02951	0.8
135.04546	1.1
143.03485	5.3
143.10693	0.6
149.04564	82.7
150.04898	1.5
159.02992	2.2
161.02385	2.5
161.04555	12.8
163.18251	0.6
173.04530	1.2
179.03506	1.1
179.05583	2.2
191.05624	24.1
233.06726	3.1
251.07622	1.1
293.08615	1.8
323.07819	0.6
325.27356	0.8
355.21255	15.6
357.22748	0.6
443.31570	1.0
457.33002	1.2
487.25150	30.5
487.32538	6.5
488.25375	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	487.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86483	6.5
56.04934	6.6
57.03441	9.9
59.01385	100.0
69.34470	58.4
70.31406	7.2
71.01389	49.7
72.99262	6.8
73.02950	11.6
83.01385	13.4
85.02953	35.5
87.00894	9.6
89.02458	13.9
97.06569	8.5
99.00916	7.0
101.02445	33.2
113.02470	34.0
115.46941	6.4
125.09693	7.5
127.58962	6.8
127.94996	6.3
129.57515	6.5
143.03557	7.5
157.31346	6.3
161.04539	13.4
213.18610	16.9
225.19072	7.2
238.85516	6.8
269.13736	7.1
313.23862	10.2
429.22745	8.1
451.25494	8.3
487.23325	14.4
487.30954	59.1
487.33578	69.4
488.31577	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	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37232	0.9
58.00602	1.4
59.01381	5.8
61.98840	2.0
62.70522	0.9
63.99564	0.7
69.30489	7.0
71.01389	11.3
73.02953	5.1
83.01382	2.3
85.02974	3.4
86.10685	0.9
89.02440	2.2
91.82826	1.0
95.01408	1.3
96.96970	1.1
97.86406	0.9
101.02465	4.9
108.02175	2.3
111.00894	9.5
113.02446	5.0
134.03749	17.8
134.34814	0.9
135.04526	3.2
148.01697	3.9
148.05278	1.8
149.06093	16.9
152.01155	1.0
158.03748	1.2
161.02527	1.1
161.04570	14.8
162.03334	0.9
163.03989	4.9
164.04836	2.3
174.06552	0.8
175.04024	15.8
176.04800	21.6
177.05486	1.8
178.02791	1.4
179.03506	1.1
190.02753	2.1
191.03531	1.1
191.05777	1.3
191.07162	29.6
193.05101	2.3
201.05579	1.4
205.05121	2.4
208.03835	1.5
218.05838	1.0
220.03848	4.0
230.05870	2.0
231.06578	0.9
235.06140	100.0
236.06496	4.8
245.08215	2.1
247.05992	1.0
253.07201	8.9
259.06131	1.2
289.07263	7.7
305.75098	0.7
307.08182	1.0
451.21686	1.0
487.13861	1.3
487.20456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46391	1.0
59.01381	9.4
61.98856	1.6
62.19081	1.0
71.01389	8.7
73.02969	1.8
73.11139	0.8
81.41456	0.9
83.01391	2.1
85.02956	3.5
89.02438	6.6
95.01411	1.1
101.02463	5.6
108.02171	6.4
109.35760	1.0
110.00114	1.4
111.00901	19.1
113.02475	3.9
115.00374	1.5
119.03510	3.2
119.77350	0.9
123.04472	1.3
124.01749	1.1
133.01466	1.5
133.02951	1.8
134.03745	12.7
135.04553	2.2
146.03723	1.0
148.01680	2.6
148.05302	5.1
149.02399	1.5
149.06097	10.5
159.04585	1.3
161.02553	1.3
161.04601	8.1
162.03284	1.2
163.04005	1.7
163.07680	6.8
175.03993	13.9
176.04774	13.7
177.05446	1.7
179.05632	1.2
186.03130	1.8
188.04811	1.9
189.01886	1.3
189.05524	1.2
190.02748	1.8
191.05531	1.7
191.07162	17.7
193.01456	1.3
193.04936	1.5
200.04741	1.6
201.05559	2.9
202.06319	1.3
203.03427	1.4
204.04268	1.7
205.05069	2.6
208.03784	1.8
220.03798	3.6
221.04530	1.1
228.39507	1.1
230.05844	5.0
233.08269	2.4
235.06137	100.0
236.06473	3.9
245.08244	8.0
247.06229	2.1
253.06979	1.1
259.06308	2.1
263.09149	6.9
277.07230	2.1
289.07224	15.6
307.08188	1.8
397.11368	1.6
425.14539	3.4
469.13251	2.5
487.14993	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
61.98839	100.0
63.54737	0.4
63.99275	2.2
64.24959	0.4
71.01387	1.4
71.56920	0.7
85.02983	0.9
95.01348	0.4
101.02470	1.1
116.05058	0.5
161.04546	0.6
173.04591	0.5
205.53206	0.4
207.58397	0.4
207.98387	1.3
223.00740	1.0
246.47870	0.5
279.16821	0.4
374.65189	0.4
426.23315	0.8
448.22794	0.9
486.19717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29404	3.7
63.77347	4.3
69.63766	28.5
71.01400	8.5
78.95869	8.5
83.78090	4.4
86.31223	4.1
101.02443	51.3
102.94196	4.2
128.03497	4.8
145.01448	100.0
146.04558	8.6
191.05659	38.8
286.10159	4.7
370.54172	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	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.1
57.03447	4.5
59.01112	2.3
59.01386	25.3
61.98843	3.7
66.38967	2.2
69.03462	1.9
69.60919	9.9
69.61362	2.8
71.01392	20.3
73.02953	3.6
83.01409	2.5
85.02972	7.0
87.00899	2.4
89.02451	11.3
95.01432	1.9
99.00925	2.4
101.02468	7.2
108.02175	5.5
110.00172	2.2
111.00894	16.3
113.02458	10.1
119.03522	4.5
119.05033	2.0
134.03773	21.7
147.04655	1.8
148.01682	5.6
148.05318	24.5
149.06097	16.2
158.03726	2.4
159.04486	2.1
160.01712	2.1
161.02344	3.8
161.04608	10.1
161.05779	1.9
162.60358	1.9
163.03972	5.6
163.07672	33.1
164.04749	2.3
173.06065	2.5
174.03143	3.8
175.03996	22.0
175.07643	2.1
176.04805	21.9
177.05630	3.1
179.05634	2.2
179.07198	2.0
186.03165	2.6
187.04028	3.4
188.04825	4.9
189.05573	4.8
190.02718	3.3
190.06274	2.1
191.05566	2.5
191.07185	26.1
195.44109	1.9
200.04817	3.4
201.05624	3.7
202.06445	3.7
203.03587	3.5
203.07101	3.7
204.07800	2.7
207.06650	1.9
214.06346	2.3
217.05180	2.1
218.05824	2.7
219.10182	2.1
220.03725	5.3
221.08134	2.6
229.04984	3.2
229.08723	2.3
230.05835	8.8
233.08211	7.4
235.06142	100.0
236.06493	5.5
244.07343	2.7
245.08250	20.9
247.06093	2.5
249.07567	2.7
253.07173	4.1
262.67053	2.3
263.09238	25.3
264.09335	2.2
277.07104	5.1
289.07184	7.5
307.08249	7.6
367.10327	2.2
425.14590	15.5
469.13351	11.2
487.14334	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	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98836	100.0
71.01396	1.3
73.02939	0.5
78.54649	0.4
82.04604	0.4
85.02992	0.5
101.02459	1.0
107.52570	0.3
108.83669	0.4
110.69376	0.4
118.13755	0.3
123.90123	0.4
137.57426	0.3
224.48488	0.3
374.72366	1.2
456.25195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
59.01388	5.8
59.39147	0.4
61.98837	100.0
71.01392	2.2
72.09472	0.3
73.02968	0.4
85.02959	0.7
89.02463	1.7
95.37158	0.4
97.68899	0.4
98.38455	0.3
99.00935	0.5
101.02443	0.4
102.39528	0.4
108.38136	0.4
113.02481	0.6
115.04041	0.4
125.02476	0.7
135.04512	0.5
135.08165	0.5
137.22897	0.5
173.04567	0.5
191.05728	0.7
227.20403	0.4
238.59901	0.3
293.08929	0.4
293.82639	0.5
295.89481	0.4
402.40244	0.4
415.10507	0.4
455.74905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30899	0.4
59.01396	4.0
61.98838	100.0
71.01392	1.7
71.27516	0.9
73.02944	0.4
75.00886	0.4
85.02982	1.2
89.02488	1.0
101.02467	1.4
113.02467	1.0
125.02429	0.6
161.04497	0.5
173.04628	0.5
176.64648	0.5
361.37247	0.4
448.22906	1.2
464.72958	0.4
486.20309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87189	0.3
56.03166	0.4
57.03450	0.3
59.01385	9.3
60.01717	0.4
61.98836	100.0
69.95992	0.3
71.01418	2.2
71.05046	0.5
71.58725	0.4
72.99349	0.4
73.02939	0.8
74.05534	0.3
76.69151	0.4
85.02950	1.6
87.00933	0.4
89.02422	0.7
93.03491	0.5
101.02442	2.0
113.02484	0.8
117.73045	0.3
117.96652	0.4
128.43445	0.3
135.04550	0.4
135.08170	2.5
136.08484	0.5
151.07726	0.4
153.96069	0.3
161.04570	0.5
173.04585	0.6
179.03581	0.5
186.03084	0.4
191.05685	0.8
229.57753	0.4
314.13840	0.4
331.25113	0.4
374.72409	1.2
405.21552	0.5
455.75082	1.3
456.25006	0.8
485.35080	1.1
486.35541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
61.98836	100.0
71.01401	1.4
71.57399	0.7
74.10597	0.4
84.75685	0.4
85.02988	0.6
89.02470	0.7
101.02460	0.9
154.93362	0.5
161.04662	0.5
172.41711	0.5
245.83461	0.5
307.19189	0.6
374.72101	0.8
426.23450	0.8
455.75116	2.2
456.25162	0.8
487.25629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3639
Annotation	Fatsicarpain F
Peak:m/z	Relative Intensity
51.49137	1.6
53.04425	1.7
54.34878	1.5
59.01389	4.3
59.28157	1.6
71.05026	4.7
79.95771	1.8
88.79676	2.0
89.32751	1.8
96.96037	10.6
98.19933	3.7
111.08143	1.7
130.04666	1.5
141.38091	1.7
153.12863	2.4
171.13907	1.6
184.75395	1.5
248.76518	1.8
301.21811	3.2
303.23328	4.8
331.52292	1.8
341.24850	3.8
343.26453	5.2
357.27966	1.9
359.29575	8.0
395.91315	1.7
405.31018	2.4
423.32672	4.6
425.34219	17.3
441.37512	100.0
442.38080	9.6
443.34915	2.0
475.60687	1.8
485.27692	11.0
485.37067	84.8
486.37448	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	485.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
60.44247	1.1
61.97523	1.0
62.96376	1.3
69.44683	1.0
69.45015	8.1
71.05030	19.7
73.02949	2.8
75.00873	1.3
75.78811	1.0
85.02952	2.2
87.00359	1.4
87.00885	26.2
87.50244	0.9
96.98451	0.9
98.20699	2.0
99.04531	8.0
109.34576	1.0
115.04058	1.9
115.92031	2.6
161.04575	32.5
267.26956	2.6
278.05463	1.1
281.28522	14.2
323.29602	12.2
339.28830	1.1
341.30637	100.0
342.30856	6.6
374.81488	1.2
427.37866	2.1
428.51587	1.2
457.33258	1.2
485.28094	4.5
485.33127	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	485.364
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
59.01375	1.3
60.99294	1.0
66.96936	0.3
70.11104	1.4
71.05025	1.4
80.61362	0.4
80.86054	0.4
83.05018	0.6
85.06604	0.4
97.06599	6.2
105.90785	0.5
112.55215	0.4
112.60607	0.5
117.01704	0.4
137.09705	0.8
191.14430	0.8
205.15999	0.4
266.75742	0.4
344.40009	0.4
373.25113	0.7
374.25848	0.5
375.26828	1.0
389.28729	2.8
391.30219	4.3
393.31326	0.5
403.30139	0.5
405.31653	8.1
406.32382	0.5
407.33234	11.5
407.38400	0.7
408.33646	0.9
411.32623	1.8
423.33359	2.4
437.30643	1.0
439.32294	2.8
439.37476	0.5
440.32208	0.7
441.33743	12.1
442.33801	0.8
451.32199	38.3
452.32657	4.3
453.33768	100.0
454.34094	11.1
467.31836	0.7
471.35049	3.8
472.35324	0.6
485.32648	17.6
485.37094	8.0
486.32626	1.3
486.37814	0.9
497.32779	10.0
498.32953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3275
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
57.37784	0.3
65.26318	0.4
76.42910	0.4
80.58500	0.4
80.80156	0.4
92.84682	0.3
98.19875	1.0
229.23012	0.4
391.30267	0.6
439.32181	100.0
440.32483	9.8
485.32748	50.4
486.33145	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	485.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01392	1.2
69.81281	3.2
69.81710	1.5
71.05029	16.6
73.02944	2.6
75.00888	1.4
77.67218	0.8
83.05051	1.0
87.00883	22.1
87.04513	0.9
92.83218	0.7
97.02972	0.7
98.19994	1.2
99.04520	13.2
106.31782	0.8
115.04014	1.7
125.93581	0.8
143.03511	15.5
161.04558	27.4
185.96159	0.8
267.26932	2.5
281.28510	18.1
305.28452	0.9
323.29565	10.6
324.29794	1.1
341.30609	100.0
342.30954	7.6
367.28293	1.0
404.68530	0.8
483.23212	0.8
485.28165	3.0
485.35703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Luvungin C
Peak:m/z	Relative Intensity
57.80555	0.4
59.01369	0.8
65.97893	0.3
70.61079	1.1
77.14000	0.4
84.71308	0.3
91.17200	0.4
94.57031	0.4
101.66927	0.5
115.36843	0.6
143.09290	0.5
195.03200	0.4
201.78262	0.5
324.42639	0.4
335.03705	0.4
363.26907	1.3
413.30264	0.8
421.31723	0.6
423.28461	0.9
423.33337	0.6
439.32178	100.0
440.32535	10.6
441.34415	2.2
451.32190	1.2
467.32281	0.5
485.32877	67.5
486.33228	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	485.3279
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
54.82427	0.6
57.03453	0.8
59.01382	2.2
61.98810	1.2
66.30949	0.6
71.01375	0.8
79.95728	1.1
81.16080	0.6
88.04044	1.2
96.96017	4.3
98.19909	2.6
100.66058	0.5
135.68976	0.7
145.08684	0.6
229.32404	0.9
332.64728	0.6
337.21747	1.9
407.29465	3.6
423.32745	23.2
424.32990	3.0
441.32974	8.5
452.34824	0.7
467.31586	5.5
485.32800	100.0
486.33102	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	485.3275
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
51.52681	0.3
55.01880	3.4
57.03439	0.6
59.01374	0.9
63.57854	0.3
69.07418	0.3
70.38464	1.2
71.05023	1.2
79.12084	0.3
79.61580	0.3
83.05025	1.1
84.55086	0.3
121.82372	0.4
140.50449	0.3
212.94482	0.3
357.98273	0.4
371.29550	1.6
395.29703	0.7
397.31049	0.4
409.27390	0.5
411.32712	0.8
421.31131	0.9
423.32935	3.1
425.30469	0.4
439.32117	3.0
440.32816	0.4
441.33920	9.4
442.34186	0.9
467.31570	2.8
468.32532	0.4
485.32803	100.0
486.33154	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	485.3278
Annotation	Lucyin
Peak:m/z	Relative Intensity
51.43655	0.4
60.99312	0.5
69.82946	1.6
69.83363	0.9
71.05029	1.4
76.86070	0.4
97.06591	0.7
106.06123	0.4
108.69034	0.4
206.61978	0.4
289.18024	0.7
305.21335	1.2
323.23892	1.3
335.79367	0.4
395.29688	1.2
409.27405	3.1
419.29626	1.3
421.31100	1.4
423.33163	3.3
425.30844	1.2
430.66949	0.5
437.30627	9.1
438.31247	0.8
439.32202	49.1
440.32541	5.3
441.34158	4.0
455.31683	0.7
467.31384	0.8
485.32828	100.0
486.33167	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	485.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81200	1.7
55.01882	3.3
55.21905	1.9
57.03436	3.1
58.00591	2.2
59.01387	60.8
61.98830	2.5
67.01908	4.3
69.03463	3.2
69.20190	7.3
69.20613	12.8
71.01393	39.9
72.99313	1.9
73.02954	8.9
78.37585	1.8
80.08167	1.7
82.95399	2.0
83.01393	3.5
85.02950	18.6
87.00878	7.8
89.02459	25.2
93.03467	24.2
95.01355	2.7
95.05100	1.7
96.95982	5.0
96.96968	2.6
97.02958	3.9
99.00902	6.1
101.01809	2.5
101.02456	30.1
108.02187	2.5
109.02905	2.6
111.00884	5.8
111.04526	7.0
113.02488	12.4
115.03970	1.9
119.03589	2.2
125.02445	3.9
127.48321	1.8
131.03506	9.0
134.03770	24.6
135.04553	13.2
136.01680	23.8
136.03452	1.9
137.02499	4.7
143.03470	3.8
149.04604	10.5
155.03554	3.8
161.04535	5.7
173.04579	40.8
179.03473	4.5
191.05643	40.1
192.05956	2.4
205.08800	3.0
209.08173	3.9
231.10262	6.3
233.06490	2.9
233.08421	2.5
267.06595	4.7
293.10651	9.6
293.16013	16.8
311.05716	4.2
311.11438	25.0
425.20331	100.0
426.20355	5.7
467.15579	20.6
485.16455	19.0
485.22101	2.5
486.16586	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	485.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
58.00599	1.8
59.01386	60.1
61.98830	3.8
63.84927	1.5
65.02149	1.6
67.01897	3.1
69.03457	2.7
69.44679	11.2
70.87618	1.7
70.88026	1.5
71.01388	44.5
72.99326	3.3
73.02953	12.2
78.95941	2.9
83.01385	6.7
85.02956	19.5
87.00887	5.8
89.02451	28.2
93.03467	22.1
96.96011	4.7
96.96986	1.9
99.00870	3.7
101.02457	29.9
108.02197	2.3
109.02990	2.1
111.00888	5.9
111.04544	5.1
113.02444	11.5
115.04060	2.2
119.03493	4.3
121.07183	1.6
125.02447	5.6
129.09256	1.9
131.03534	11.4
134.03752	25.0
135.04558	9.5
136.01651	19.4
137.02434	6.0
143.03476	3.3
149.02515	2.3
149.04581	10.0
149.05867	1.5
155.03484	3.4
161.04552	5.8
173.04568	40.6
173.12982	1.5
176.76477	1.9
177.01884	1.6
179.03461	3.8
183.55186	1.6
191.05623	41.6
192.05899	2.1
209.08163	2.2
223.06128	2.2
231.10231	6.8
231.12265	1.7
233.06458	2.8
233.08438	2.2
245.42009	1.8
249.11139	1.7
267.06674	4.0
273.13828	1.7
293.10660	8.3
293.16040	18.3
311.05646	5.1
311.11353	23.5
425.20306	100.0
426.20691	5.2
467.15524	16.6
485.16098	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	485.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
59.01386	53.6
61.98837	7.3
69.25459	1.9
69.49169	13.6
71.01396	37.3
72.99300	2.1
73.02957	14.4
75.00866	2.3
75.06501	1.5
78.95914	3.1
81.03453	1.9
82.95409	3.1
83.01401	11.4
85.02960	16.6
87.00912	2.2
89.02464	9.7
95.01406	1.8
96.96010	2.9
97.02966	1.7
98.19957	3.3
99.00878	6.2
101.02452	38.4
103.04025	4.3
109.43248	1.6
109.47247	1.7
113.02464	15.1
119.03505	4.9
125.02417	2.9
132.46288	1.9
143.03406	3.0
159.02983	4.9
161.04568	12.8
162.25432	1.6
163.06125	7.1
165.64008	1.9
173.04477	2.6
177.01968	3.3
191.05597	6.3
205.07152	2.7
224.96742	1.7
231.10127	1.8
279.14514	51.0
280.15036	2.3
290.46606	2.1
293.08823	2.1
307.94339	1.8
359.21725	2.2
425.20255	100.0
426.20715	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03431	1.1
59.01386	21.7
61.98821	1.3
71.01385	23.3
71.55876	1.2
72.99308	1.3
73.02959	7.4
75.00876	1.5
78.90575	0.7
82.95407	2.2
83.01381	2.2
85.02955	8.7
86.00106	1.1
87.00875	5.8
89.02453	10.8
93.03465	4.9
95.01384	1.1
96.95996	1.8
96.96939	1.1
99.00881	1.5
101.02448	14.8
102.12560	0.7
104.28049	0.7
109.03023	0.9
111.04520	1.9
113.02461	8.0
119.03519	4.1
131.03549	4.3
134.03784	1.1
135.04539	2.3
138.01982	1.5
143.03506	0.8
145.07693	1.4
146.04901	1.3
155.03477	1.8
160.06404	8.1
161.04553	6.0
161.07216	59.3
161.33704	0.7
162.07510	1.1
173.04576	8.7
175.04010	1.4
175.07632	0.9
175.08772	20.7
176.04802	6.3
177.01988	1.0
177.09206	2.7
179.03484	2.0
179.05608	1.5
179.07025	1.0
187.08768	2.4
189.06706	89.4
190.07144	3.7
191.05620	25.0
192.06053	1.0
201.10468	1.1
202.06351	0.9
203.08287	19.7
203.11934	1.2
205.08731	8.3
221.06642	7.6
229.09825	3.5
231.10269	2.5
233.08351	1.8
235.29919	0.8
249.11269	5.6
250.44540	0.7
257.08105	1.0
261.06137	1.8
267.12369	2.3
293.10196	1.5
305.11438	12.7
306.11935	1.2
311.11594	1.0
323.12448	2.9
370.68094	0.7
449.14557	1.2
467.15829	5.7
485.17725	100.0
486.18039	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	484.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
61.98835	100.0
77.23363	0.4
85.02944	0.5
101.02406	0.6
127.14825	0.5
132.38254	0.4
191.66927	0.4
424.22455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77518	0.3
59.01386	7.1
61.98835	100.0
69.46191	2.0
71.01390	1.3
73.02971	0.5
75.00864	0.4
83.01393	0.3
85.02966	0.8
98.19901	0.5
101.02462	1.1
106.12453	0.3
108.36263	0.3
113.02515	0.3
114.02812	0.3
131.03522	0.4
173.04526	0.4
185.47977	0.3
277.16678	0.4
278.16879	0.5
288.93265	0.3
318.52267	0.3
423.22180	0.4
424.22641	1.5
466.14871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99557	0.8
59.01382	9.7
67.01898	1.6
71.01390	6.1
73.02953	1.4
78.95911	45.6
79.95738	3.2
83.01409	1.1
85.02928	4.0
87.00892	1.3
89.02448	1.9
93.03474	7.2
95.01383	1.0
96.96011	100.0
96.96965	82.5
98.19882	2.4
99.82192	0.8
101.02470	5.2
109.02893	0.9
113.02463	2.2
129.01907	1.2
134.03719	5.3
135.04491	2.7
136.01662	5.4
137.02435	2.2
149.06036	1.7
155.03595	0.9
160.03941	0.8
161.04536	2.2
173.04555	10.4
179.03465	1.8
191.05621	9.6
209.08081	0.8
231.10255	0.9
267.06573	1.8
279.14554	6.8
283.28680	0.8
293.10275	2.8
311.05710	1.5
311.11343	5.1
425.20331	11.8
467.15369	5.9
485.16681	4.7
492.89111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93669	1.2
57.03461	1.8
59.01372	2.5
67.74155	1.2
69.03465	7.3
71.01381	1.7
71.05026	36.4
72.99319	2.1
73.02972	1.6
75.00871	1.6
83.01039	1.5
85.02955	2.1
87.00893	2.9
91.28217	1.5
97.02969	9.7
99.04533	2.9
102.69228	1.4
113.02477	7.1
115.04037	11.4
125.09669	1.7
141.01930	4.6
143.03511	2.4
159.03004	85.0
160.03331	1.7
267.26932	4.0
281.28519	17.0
323.29550	12.0
341.30634	100.0
342.31107	8.3
439.35205	1.6
465.34595	1.3
483.36987	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71242	0.5
53.41037	0.5
53.59731	0.4
57.03455	0.9
59.01379	1.9
59.25869	0.5
69.42490	0.5
69.94852	2.1
71.05016	4.9
83.05034	0.6
97.08302	0.5
111.08156	0.8
119.79717	0.5
171.98431	0.5
173.08081	0.5
285.18741	0.7
295.20618	0.7
303.19577	0.5
323.23798	12.1
324.24057	0.8
393.28043	0.7
395.29495	1.2
397.31445	0.5
401.28461	0.7
403.30185	0.6
409.31216	1.1
411.32736	0.6
419.29617	9.5
420.29959	0.8
421.31537	2.4
437.30630	47.8
438.31064	4.9
439.32382	6.1
440.32275	0.7
465.26398	0.8
483.31277	100.0
484.31760	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	483.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01386	2.8
63.39171	0.5
69.35319	0.7
69.35656	4.0
69.70280	0.4
71.01365	0.7
71.05032	4.9
83.05065	0.7
97.03012	0.8
97.06593	0.7
109.06599	0.6
109.67909	0.5
111.08149	0.6
243.98607	0.5
273.44156	0.4
283.66183	0.7
295.20813	0.5
303.19681	0.8
311.64670	0.5
323.23779	11.1
324.23956	0.9
335.19876	0.5
365.24850	0.6
393.28027	0.9
395.29620	1.6
409.31247	0.7
419.29526	10.3
420.30078	1.0
421.31430	3.0
435.29434	0.8
437.30655	50.3
438.30939	5.3
439.32297	7.7
440.32379	0.9
483.31311	100.0
484.31616	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	1.4
57.03455	2.7
59.01384	44.7
61.87631	1.7
61.98832	34.9
69.41669	8.2
69.42095	4.8
70.77310	1.9
71.01389	37.0
73.02959	13.8
83.01399	6.8
84.25621	1.8
85.02949	20.4
87.00906	2.8
89.02448	17.9
95.01354	1.8
97.02946	2.2
99.00899	4.9
99.04536	1.7
101.02446	35.5
109.02951	3.0
111.00864	3.4
113.02442	11.0
125.02515	2.7
125.87189	1.7
131.03519	11.3
149.04578	4.2
159.02971	2.0
161.04579	6.2
173.04651	1.8
178.02544	1.6
183.58141	1.9
189.04140	3.2
191.05603	4.2
194.93921	1.6
233.06636	1.9
250.35680	1.9
287.97086	1.9
291.18124	26.4
322.93570	1.9
423.22372	100.0
424.22586	7.8
447.22485	3.1
465.14142	4.1
470.16199	1.8
483.20050	2.3
500.76068	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35465	0.4
60.05134	0.4
62.33386	0.3
73.10065	0.3
78.95526	1.1
78.96042	6.9
96.97099	0.8
98.19849	0.7
103.37411	0.4
148.63239	0.3
152.99591	14.7
171.00679	0.9
177.07538	0.4
216.71857	0.3
227.03230	2.6
245.04375	1.5
255.23305	100.0
256.23648	5.3
365.90991	0.4
412.79672	0.4
421.31348	0.5
451.31381	0.6
483.26624	26.0
484.26651	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	483.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29586	1.7
55.01876	3.2
55.16240	1.4
57.03426	2.0
58.00599	2.2
59.01386	46.8
59.41846	1.5
61.98825	2.2
70.76207	1.4
71.01013	2.1
71.01395	37.9
72.99330	2.9
73.02952	13.6
77.25581	1.7
78.95906	2.0
83.01367	8.2
84.17303	1.5
85.02966	16.4
87.00838	2.0
89.02452	15.4
93.03480	2.7
97.83683	1.4
99.00887	5.8
101.02449	30.4
105.27843	1.5
111.00858	1.9
113.02471	13.4
118.33743	1.4
123.66596	1.6
125.02466	2.2
131.03535	11.2
143.03511	1.6
147.51270	1.6
149.04565	3.8
152.99586	6.4
160.61270	1.4
161.04535	7.2
173.04539	3.2
173.73946	1.5
191.05496	1.7
200.73405	1.8
235.72879	1.9
278.28204	1.7
291.18155	34.5
380.39114	1.6
391.35028	1.7
423.22385	100.0
424.22705	7.2
465.13925	2.6
483.19760	2.9
483.33392	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	483.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	44.8
61.98834	42.7
62.75637	7.5
69.03440	6.8
70.95454	11.7
70.95789	13.1
71.01393	48.9
72.99306	8.4
73.02936	9.4
78.95925	14.4
81.19064	7.1
85.02956	11.9
89.02460	48.3
96.96015	34.3
96.96986	21.6
99.00854	9.6
101.02459	16.2
109.02956	31.5
116.47218	8.6
121.31107	7.2
123.04534	10.7
125.02471	16.7
129.05627	8.6
132.57155	7.7
149.04608	11.3
153.01987	37.8
153.05598	20.2
191.05635	30.5
233.06659	24.3
293.08780	100.0
388.39493	8.1
423.14896	18.0
447.10983	11.7
483.12775	44.5
494.07715	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	483.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
69.31401	3.5
71.01367	1.7
77.30843	0.4
78.95911	30.3
79.95733	2.4
83.48809	0.4
85.02963	0.8
87.00864	0.7
89.02456	1.0
93.03422	0.6
96.96015	100.0
96.96966	60.8
98.20806	0.6
101.02451	1.5
109.58131	0.4
111.00902	0.6
113.02469	0.7
135.04541	0.9
142.53520	0.4
160.07549	0.5
166.28091	0.5
169.10199	0.4
173.04506	0.6
183.10280	0.6
184.43004	0.5
187.87654	0.5
191.05597	2.2
207.05118	0.8
423.18518	0.6
483.15091	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	483.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
59.01385	59.9
61.98833	4.4
69.56940	14.9
71.01390	49.2
73.02967	13.8
78.95918	5.8
83.01402	9.2
85.02978	17.3
87.00872	4.1
89.02450	27.4
93.03484	5.0
96.96034	5.6
96.96965	7.3
97.06631	3.2
99.00885	6.2
101.02455	46.2
111.00855	2.8
113.02453	14.1
116.92846	3.3
118.14070	2.7
119.03519	6.1
125.02504	3.2
126.32502	3.0
128.90170	3.4
131.03471	3.2
133.03017	2.5
135.04535	9.2
143.03525	4.7
149.04526	12.1
161.02473	3.7
161.04564	9.9
163.06224	2.4
173.04567	8.5
175.07692	2.8
179.03534	3.3
191.05618	34.8
201.17279	2.6
203.07172	7.4
206.67409	2.7
207.37477	2.8
232.74248	2.6
233.06622	3.8
233.30969	2.9
261.07513	7.8
277.12997	54.1
289.76642	2.9
293.08899	8.7
371.46695	3.4
379.97717	2.8
410.15256	2.4
423.18753	100.0
424.19116	7.4
445.13693	8.1
480.16397	2.8
483.15021	8.4
483.21140	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	483.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53498	1.4
55.01878	2.9
55.40554	1.2
57.03448	4.7
58.00616	1.5
59.01386	64.0
61.98836	17.3
67.01900	3.6
69.03468	3.6
71.01009	2.8
71.01392	40.9
72.99321	3.5
73.02960	18.3
77.55702	1.2
81.03490	2.5
83.01391	13.6
83.05032	2.3
85.02954	25.2
87.00876	4.5
89.02467	6.1
93.03465	20.9
95.01404	4.2
97.02991	1.8
98.20669	2.8
99.00878	7.1
99.04536	1.4
101.02457	47.2
103.04030	2.0
108.02219	1.3
109.02972	7.8
109.33377	1.1
111.00914	2.9
111.04552	8.9
113.02460	18.8
117.03490	9.0
119.03577	1.4
119.05041	37.6
125.02447	2.8
127.04022	4.8
129.01982	2.6
133.02959	1.5
134.03767	3.6
135.04507	5.3
137.02467	11.3
142.20178	1.4
143.03522	1.2
143.48116	1.3
145.02971	39.4
146.03276	1.6
151.07646	2.7
155.03497	19.8
159.02968	2.7
161.04575	14.4
163.04037	38.3
163.06091	1.6
172.28102	1.4
173.04562	72.2
174.05026	1.8
178.02754	1.8
179.03636	3.0
189.04048	9.3
191.05667	4.8
195.08287	1.6
207.05188	8.8
247.08313	1.5
262.16150	1.3
275.09238	2.4
277.16580	78.5
278.16965	3.0
285.04047	4.3
289.07089	2.0
319.08218	42.9
320.08649	2.0
332.51617	1.3
337.09314	19.6
423.22385	100.0
424.22723	8.5
465.13614	7.2
483.13239	9.9
483.32935	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	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38829	0.9
54.81600	0.9
55.01880	3.9
57.03439	3.5
58.00581	1.6
59.01386	100.0
61.98848	1.2
62.26341	0.9
69.03442	2.0
69.46223	6.9
71.01389	52.3
72.99312	2.7
73.02951	26.4
83.01392	13.7
85.02963	24.3
86.00110	1.0
86.03250	1.0
87.00892	4.5
87.04520	1.4
89.02451	19.9
95.01400	4.0
97.02962	1.8
99.00889	7.3
101.02454	65.6
102.02842	0.9
103.04025	11.1
111.00909	1.1
113.01723	1.5
113.02467	19.6
113.09682	1.9
115.03990	3.3
119.03506	9.2
121.42818	1.0
125.02439	3.1
127.04065	1.4
131.03513	4.9
131.94437	0.9
133.02948	4.1
134.03728	3.6
137.02492	1.1
143.03503	7.6
145.05063	4.3
159.03001	2.6
161.04567	13.0
163.06134	48.5
164.06445	0.9
170.52815	1.1
173.04625	1.4
177.01921	2.8
178.02673	2.2
179.05655	1.4
191.05603	3.6
205.07179	20.9
206.07486	1.0
265.09460	5.0
275.09479	4.9
275.15036	46.8
276.15308	1.9
307.11710	1.9
421.20819	64.0
422.21201	4.2
427.00888	1.0
449.14334	1.2
481.32840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22473	0.7
58.87547	0.7
59.01389	0.9
61.07684	0.8
71.31750	1.1
71.32102	1.2
78.95913	43.5
96.96959	2.6
105.24994	0.8
110.21386	0.8
115.49782	0.8
122.55692	0.8
150.01523	0.8
150.98044	1.0
152.99602	57.8
171.00670	18.1
227.03247	4.3
245.04323	100.0
246.04630	1.9
253.21751	63.2
254.22017	4.0
295.97342	0.8
325.27524	0.8
481.25681	34.4
482.25949	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	9.4
69.46422	28.6
71.01385	70.0
73.02950	11.5
75.57784	3.6
83.01385	4.1
85.02966	19.2
87.00885	7.5
89.02448	71.2
89.91691	3.4
101.02467	49.6
105.78185	4.5
111.00876	6.4
113.02483	19.6
114.63189	3.9
119.03493	10.9
131.03510	33.0
131.25478	4.0
149.04570	57.2
161.04517	11.3
179.05644	7.9
191.05516	21.8
246.87851	3.6
276.54944	3.3
289.16571	21.9
421.20840	85.0
422.21027	7.4
481.31778	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03443	1.9
59.01114	2.3
59.01388	37.2
60.38752	1.1
60.99316	4.7
63.85261	1.1
67.01899	13.2
69.03456	4.5
69.33004	9.8
71.01390	37.3
72.99305	1.6
73.02956	9.9
75.13540	1.1
77.06606	1.2
81.03459	3.9
83.01402	6.2
83.05037	3.4
85.02957	12.2
86.43884	1.2
87.00887	18.3
89.02453	17.2
93.03470	100.0
95.01431	1.3
97.02982	1.8
97.06575	1.6
98.20715	2.1
99.00884	5.4
99.04500	1.5
101.02456	18.8
104.92393	1.0
109.02969	2.3
111.00888	5.5
111.04532	15.4
113.02464	11.0
125.02472	4.0
129.01955	3.7
131.03514	9.5
133.02983	2.6
134.03755	29.4
135.04553	5.7
137.02454	4.7
143.03485	3.8
149.04539	4.7
151.07678	1.8
155.03481	4.7
159.02982	2.1
161.04613	6.6
173.04564	82.2
174.04883	1.8
177.01991	6.5
178.02731	13.4
179.03465	4.2
191.05638	6.0
231.10165	1.5
231.35593	1.1
233.06564	2.7
263.54700	1.1
275.09296	6.7
289.16599	17.6
293.08786	1.9
307.11856	8.4
339.08646	1.4
349.22046	1.5
421.20816	64.5
422.21222	5.8
449.14523	9.0
481.17203	37.7
481.32513	2.2
482.17703	3.7
490.11322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03449	4.2
58.00601	4.5
59.01384	98.2
60.01706	0.9
61.98833	1.3
63.32181	0.4
69.03473	2.7
70.30011	0.9
71.01386	92.9
72.01736	0.6
72.99324	4.5
73.02950	14.6
74.87775	0.5
75.00885	1.0
78.95908	1.6
81.03455	1.1
83.01389	7.1
85.02959	20.7
86.00100	1.7
87.00880	11.6
87.01383	0.8
87.04526	2.1
89.02452	100.0
90.02800	1.2
93.03439	0.8
95.01404	2.0
96.79507	0.6
96.96967	0.8
97.02962	4.6
99.00889	4.9
99.04522	0.6
101.02451	56.0
102.02784	0.7
102.32151	0.5
103.03953	0.7
105.54478	0.6
105.58922	0.6
108.02209	1.2
111.00906	5.4
113.02463	18.4
115.04053	1.2
119.03506	8.6
119.04977	0.9
123.04515	0.7
125.02454	8.6
131.03511	49.4
132.03845	0.8
139.03990	0.6
141.01964	0.5
143.03532	3.2
149.04565	65.6
150.04964	1.0
152.01151	1.8
159.03036	0.7
161.02469	0.7
161.04567	7.0
163.04028	1.2
167.03532	5.5
167.10826	0.7
173.04578	0.8
179.05656	2.1
185.11874	0.8
187.13411	6.5
191.05629	23.5
213.05594	0.8
215.05591	1.1
233.06723	4.9
241.05127	4.0
251.07486	0.6
256.07452	1.7
270.59079	0.7
271.09808	5.2
279.67889	0.6
281.13840	0.6
293.08786	5.8
331.17615	2.6
349.18683	22.8
350.19092	1.5
421.11816	0.6
481.22928	80.8
482.23337	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71292	0.6
57.03445	1.5
59.01380	4.7
59.11204	0.8
60.99302	5.8
63.44750	0.6
67.01895	14.3
69.03467	3.9
69.45229	3.7
69.45625	1.4
71.01383	7.4
71.17270	0.6
73.02937	0.9
75.48382	0.6
78.62978	0.6
81.03459	2.0
83.01376	0.9
83.05038	2.0
85.02959	2.1
87.00883	19.3
89.02412	1.5
90.17561	0.6
93.03465	100.0
93.24428	0.8
94.03812	2.0
97.06620	1.0
99.00887	1.8
99.04523	1.8
101.02452	2.0
109.02978	1.3
111.04526	15.4
113.02466	1.4
115.03947	0.7
125.02435	0.6
129.01945	2.4
131.03510	1.3
133.02950	2.0
134.03757	26.4
135.04529	2.7
137.02441	3.2
143.03522	0.9
149.04594	0.7
155.03540	3.8
161.04582	0.7
161.85921	0.6
163.00197	0.6
173.04555	73.2
174.04906	1.6
177.01971	2.4
178.02716	11.1
179.03438	1.4
191.05652	1.4
231.10257	1.0
245.78029	0.7
275.09235	3.0
289.16592	0.9
307.11884	6.8
421.20737	7.2
449.14499	9.8
474.39090	0.7
481.17142	36.4
482.17471	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.9
61.98843	2.6
65.35286	0.5
69.40601	3.9
71.01382	3.3
71.55113	0.4
73.02951	1.3
74.07477	0.5
75.23714	0.5
81.03468	0.8
83.05042	1.0
85.02952	1.3
87.00899	0.5
89.02467	1.6
93.03472	3.7
97.06599	6.5
99.00881	0.5
101.02436	2.7
105.03452	1.1
106.04237	0.6
111.04530	3.3
119.03506	0.8
125.02401	0.5
127.04043	0.6
129.02026	0.5
133.02977	4.0
134.03754	100.0
135.04594	8.7
137.02429	2.3
143.03525	0.6
155.03503	3.9
161.04675	0.6
163.06157	1.4
173.04556	6.8
177.01976	5.9
178.02736	18.3
179.03468	2.0
191.05611	1.3
231.10315	3.5
257.11902	0.5
275.09280	5.1
296.60205	0.4
306.34601	0.5
306.38397	0.5
307.11880	90.0
308.12180	5.4
341.15244	0.7
346.51935	0.5
421.20856	1.7
451.83926	0.5
480.32791	1.0
481.17126	3.7
481.32715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31668	0.4
56.33078	0.5
57.03443	2.4
59.01146	0.6
59.01390	6.0
60.99312	4.6
61.98835	2.8
64.05933	0.5
66.02321	0.5
67.01894	12.3
69.03468	4.1
71.01383	7.6
73.02959	1.6
81.03466	2.3
83.01405	0.9
83.05037	2.2
85.02964	2.1
87.00883	18.1
89.02455	2.0
93.03465	100.0
94.03806	1.2
94.49893	0.5
97.03001	0.6
97.06588	2.5
98.19836	0.9
98.97940	0.6
99.00900	2.4
99.04534	1.7
101.02447	3.4
109.02966	1.7
111.00863	0.8
111.04527	15.9
113.02460	2.6
115.04046	0.6
121.02982	1.2
127.04004	0.9
129.01952	2.9
131.03488	1.0
133.02968	8.6
134.03754	46.4
135.04565	11.9
137.02467	5.9
139.04016	1.4
143.03529	1.3
149.04573	0.9
151.07698	0.9
153.01949	1.2
155.03487	6.0
161.02481	0.8
161.04649	0.7
162.03244	1.1
164.61543	0.5
173.04558	76.0
174.04947	1.7
177.01942	13.5
178.02721	41.3
179.03482	7.8
184.03647	0.6
191.05643	1.4
213.09270	0.5
220.24042	0.5
231.10229	3.3
255.51169	0.5
275.09290	17.7
276.09637	0.6
289.16879	0.5
307.11890	25.7
308.12170	1.1
311.84900	0.6
341.82190	0.5
349.22351	3.0
421.20828	1.6
449.14621	9.8
450.14871	1.0
481.17169	47.3
481.26007	1.4
482.17560	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
59.93619	0.7
61.98821	1.7
69.58899	3.8
71.01382	2.4
73.02977	0.6
75.00880	0.8
78.95906	1.2
79.44419	0.6
80.40037	0.6
81.19556	0.6
89.02464	2.0
93.03448	0.5
96.96021	1.1
96.96939	0.9
101.02450	1.3
108.02173	0.6
115.92107	0.6
133.02957	1.0
134.03712	2.8
135.04550	1.2
136.01672	10.0
141.75751	0.6
145.05046	1.1
149.06081	2.5
151.04025	10.0
181.05093	0.8
185.06198	1.4
191.05623	2.6
195.04515	1.4
197.06099	0.8
199.57074	0.6
212.04857	1.0
213.05563	10.8
223.03984	2.8
224.04842	1.7
240.04308	1.6
241.05075	55.9
242.05368	2.4
255.06645	2.6
256.07416	43.1
257.07822	2.4
270.08896	1.2
271.09760	100.0
272.10178	6.0
319.11874	18.9
320.12479	0.8
391.14005	0.7
481.11203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07494	0.6
55.41549	0.6
59.01157	0.6
59.01387	6.0
61.98829	0.8
67.01888	2.1
69.25389	3.3
69.25813	3.0
71.01397	4.5
71.70211	0.7
72.36703	0.7
72.97546	0.8
73.02943	1.5
81.03440	1.1
83.01437	0.7
85.02958	8.9
87.00885	4.8
89.02441	1.5
93.03468	20.6
96.95995	0.8
98.20774	1.1
99.00917	0.8
101.02448	2.6
109.01793	0.8
109.02955	6.4
111.00883	0.9
111.04510	4.1
113.02419	1.1
121.02950	0.8
122.03699	1.0
127.04018	2.1
137.02493	0.7
155.03505	2.1
158.03668	1.1
159.04503	1.8
159.71664	0.6
160.86746	0.7
161.02443	0.7
172.05357	1.8
173.04570	16.9
173.06033	2.5
174.06772	1.5
175.07602	0.9
187.04021	1.8
187.07661	17.4
188.08171	0.8
191.05627	100.0
192.05952	3.0
197.06090	1.1
201.05589	2.4
202.06354	21.3
202.10121	0.8
203.06752	1.0
203.10820	2.5
213.09261	6.2
215.07135	1.0
231.10272	36.8
232.10593	2.7
257.08221	10.3
275.09235	10.7
275.15063	1.3
289.10699	1.2
301.20047	0.8
307.11920	3.4
316.38354	0.6
421.20450	3.3
445.24335	1.0
449.14532	16.1
450.14862	2.2
481.17447	1.9
481.26587	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75840	0.5
57.03449	2.1
59.01382	5.2
60.99315	5.6
61.98827	3.9
64.68745	0.6
66.38583	0.7
67.01897	13.2
69.03465	4.0
71.01392	6.9
73.02949	1.0
81.03471	2.7
83.05045	1.9
85.02949	1.7
87.00887	18.9
93.03468	100.0
94.03822	2.2
97.72778	0.6
98.19895	2.6
99.00887	1.9
99.04512	1.9
101.02433	1.6
109.02985	1.6
111.00906	1.0
111.04539	14.5
113.02465	1.9
121.02947	0.7
124.75822	0.6
129.01965	3.1
133.02960	3.0
134.03760	10.1
135.04570	5.3
137.02443	3.1
143.03511	1.4
155.03503	3.8
161.04570	0.7
171.91022	0.8
173.04562	69.7
174.04842	2.2
175.41502	0.7
177.01932	2.7
178.02711	9.9
179.03400	2.5
191.05655	2.8
273.62195	0.6
275.09317	1.4
306.07220	0.8
351.07251	0.8
352.07822	1.7
449.14560	38.6
450.14963	3.7
455.78043	0.7
480.32581	1.4
481.17136	23.8
481.24097	1.2
481.32407	2.3
482.17606	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96986	0.4
59.01385	0.8
61.98817	0.5
69.98499	2.0
71.01363	0.7
73.57350	0.4
75.00879	3.7
78.95939	0.6
96.95992	1.0
98.20631	0.5
101.05917	0.6
105.51166	0.5
110.71721	0.4
115.01450	0.4
134.03729	0.7
134.61122	0.4
136.01682	1.6
151.03957	0.6
159.83684	0.5
167.36964	0.5
172.74440	0.4
185.06090	1.5
191.05617	0.8
195.04543	1.4
197.06120	0.9
212.04701	0.6
213.05583	9.1
214.05942	0.5
223.02071	0.5
223.03978	2.0
223.05850	0.6
224.04791	1.9
240.04308	0.8
241.05075	62.1
242.05370	2.9
256.07434	45.2
257.07828	2.6
271.09778	100.0
272.10150	6.5
319.11868	12.9
319.15417	0.9
320.12195	0.9
325.69205	0.5
393.62509	0.5
405.42505	0.5
481.09851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56757	0.4
56.62880	0.4
56.63176	0.5
59.01385	6.5
60.12049	0.4
61.98836	100.0
69.28789	3.6
71.01395	5.1
72.99310	0.5
73.02966	1.4
78.41589	0.5
78.95922	0.5
83.01397	0.9
85.02978	1.9
87.00879	0.7
89.02445	4.3
93.03494	1.5
95.01359	0.5
99.00884	1.2
101.02452	3.8
113.02482	1.5
119.03546	1.2
131.03516	0.7
136.75952	0.4
149.04573	2.0
152.99641	0.6
160.01691	0.6
161.04640	0.9
173.04561	0.9
178.14001	0.4
191.05623	3.3
233.32819	0.6
421.20850	8.8
449.14395	0.8
455.78070	0.5
480.32724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71298	0.1
52.55941	0.1
55.01866	0.1
61.98826	0.1
62.96423	0.1
68.35958	0.1
70.86728	0.1
71.56487	0.1
78.95910	18.0
96.96973	0.4
104.97513	0.1
122.98577	0.2
134.98528	0.1
152.99612	2.2
168.04327	2.7
168.05736	0.1
171.00572	0.1
179.69221	0.1
194.05893	0.2
207.01538	0.1
224.06940	8.0
225.07257	0.2
237.22102	0.2
242.07990	1.8
255.23305	100.0
256.23642	5.6
363.44095	0.1
391.22339	0.1
480.30954	23.1
481.31247	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95528	0.3
58.81107	0.3
59.01387	4.1
61.98838	100.0
64.16671	0.3
66.11237	0.3
71.01389	3.1
71.57088	0.5
72.99313	0.4
73.02953	1.0
74.39779	0.3
83.01398	0.3
85.02975	0.8
89.02461	2.5
93.03486	0.8
101.02451	2.4
113.02483	1.4
119.03542	0.5
125.02461	0.3
131.03546	0.5
149.04590	0.9
151.07655	0.4
161.04594	0.4
164.02393	0.4
173.04526	0.6
191.05701	1.6
232.66475	0.4
257.15430	0.3
395.90396	0.4
421.20822	3.5
480.33142	0.7
481.32257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56757	0.4
56.62880	0.4
56.63176	0.5
59.01385	6.5
60.12049	0.4
61.98836	100.0
69.28789	3.6
71.01395	5.1
72.99310	0.5
73.02966	1.4
78.41589	0.5
78.95922	0.5
83.01397	0.9
85.02978	1.9
87.00879	0.7
89.02445	4.3
93.03494	1.5
95.01359	0.5
99.00884	1.2
101.02452	3.8
113.02482	1.5
119.03546	1.2
131.03516	0.7
136.75952	0.4
149.04573	2.0
152.99641	0.6
160.01691	0.6
161.04640	0.9
173.04561	0.9
178.14001	0.4
191.05623	3.3
233.32819	0.6
421.20850	8.8
449.14395	0.8
455.78070	0.5
480.32724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92348	0.3
59.01376	0.7
61.98836	100.0
71.01404	0.7
71.02322	0.6
75.00882	1.5
78.95904	2.2
84.26362	0.3
89.02462	0.6
90.27635	0.3
96.96028	1.8
96.96985	4.7
101.02472	0.3
103.38966	0.3
104.27586	0.3
105.93314	0.3
121.08080	0.3
124.04037	2.6
138.05620	0.5
165.02003	0.9
166.02325	0.5
166.05086	0.4
167.15471	0.3
172.11108	0.3
180.04343	0.8
195.06688	0.9
196.06964	0.8
197.04251	0.4
211.86436	0.4
286.09412	2.5
356.02170	0.4
382.82425	0.3
405.97604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.6
57.03430	5.9
59.01379	4.6
60.99311	5.6
65.84727	4.5
69.35603	8.7
69.35999	30.7
71.05020	7.5
72.99295	5.6
73.02956	72.0
83.05029	13.9
85.82401	3.7
87.00884	36.1
93.52815	4.1
95.05034	33.7
96.96008	12.5
97.02908	4.0
97.06598	9.1
98.82894	3.8
99.04469	7.3
105.07155	7.9
107.05049	34.5
109.06612	3.9
111.04502	5.7
112.89054	4.0
119.79758	4.3
123.04530	12.7
123.08179	32.5
125.02415	10.5
125.06094	24.6
127.04034	47.7
137.06097	35.4
139.07608	5.1
143.07141	21.0
149.06094	6.5
149.09740	4.0
151.04034	54.6
167.07133	5.6
169.05074	7.5
211.09810	41.1
228.56154	4.5
235.48375	4.1
281.28107	3.9
283.26440	9.2
307.29950	16.8
373.34732	20.0
387.32693	5.4
391.36160	9.6
393.33612	6.3
399.32394	6.2
407.35043	10.6
417.33740	90.9
418.34216	8.4
435.34738	82.3
436.35016	10.0
461.36603	8.7
479.33313	100.0
480.33496	8.1
493.83069	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	479.3381
Annotation	SCHEMBL10014310
Peak:m/z	Relative Intensity
51.67158	1.2
52.03471	1.3
71.04999	1.4
71.11292	1.2
83.05033	50.4
84.05328	1.4
84.48828	1.3
87.00885	88.2
88.01233	1.7
96.95991	2.4
97.06609	13.2
99.04515	5.2
107.05038	2.7
111.04529	100.0
121.06591	1.7
123.04472	1.9
123.08174	7.3
125.02426	4.8
125.06087	14.2
126.03228	2.2
127.04025	44.9
149.06105	1.2
167.06940	1.4
190.47392	1.3
200.75763	1.3
281.28577	1.2
351.29028	14.0
359.46466	1.3
373.34781	1.7
391.35913	7.6
417.33575	3.8
435.34814	13.1
476.20862	1.4
479.33768	89.7
480.33881	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.03457	4.0
57.89488	0.6
58.00579	1.3
59.01388	29.3
64.38235	0.7
69.03456	3.8
71.01388	41.6
71.05000	1.0
71.18433	1.6
71.18787	0.9
72.99316	5.3
73.02952	19.9
73.70794	0.7
75.00853	3.2
81.03422	2.7
83.01402	8.5
83.05039	1.3
85.02960	19.5
86.25299	0.8
87.00886	3.9
89.02455	19.4
89.71616	0.7
91.00346	1.5
93.03446	1.7
93.82524	0.8
95.01359	3.2
96.96928	1.6
97.02961	6.6
99.00304	1.4
99.00887	23.0
99.04483	3.2
101.02451	43.1
107.01354	0.7
109.02912	0.8
111.00838	2.2
111.08141	0.6
113.02469	11.4
114.02758	0.7
115.04020	10.5
115.07607	1.5
118.62373	0.7
119.03482	1.2
125.02451	10.6
127.03987	1.8
131.03548	4.1
134.03706	1.0
137.02373	3.1
143.03481	3.5
149.04491	4.3
149.05994	2.2
151.03999	1.3
159.02975	1.5
161.04575	9.7
162.61136	0.8
173.04463	2.3
185.11876	5.3
191.05644	10.7
215.05359	0.9
229.10745	0.9
233.06664	12.1
245.13882	1.1
281.06570	1.8
293.08798	4.2
299.09238	1.2
317.10159	3.4
317.19724	3.5
343.20959	1.0
347.17139	26.0
347.21399	1.4
348.17001	2.3
479.20956	100.0
480.21484	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04821	0.5
55.01883	3.2
57.03453	5.1
58.00592	1.4
59.01383	26.2
61.98827	2.9
63.02380	0.7
64.10010	0.4
65.00320	1.1
68.99807	0.5
69.03446	2.0
71.01385	56.2
71.56413	1.0
72.99323	2.8
73.02949	20.1
75.00886	2.7
81.03447	1.3
83.01395	9.7
84.02189	0.7
85.02954	24.1
86.03286	0.7
87.00886	3.5
89.02451	17.1
93.03483	0.8
95.01398	6.3
96.96016	1.1
97.02956	3.6
97.06565	0.7
99.00274	0.7
99.00890	11.1
99.04530	1.1
101.02446	42.9
107.01374	2.5
108.02180	1.4
109.02980	1.1
111.00902	3.4
111.04524	0.5
113.02457	19.3
115.03989	1.7
119.03517	1.7
122.03732	1.0
123.00886	2.5
123.04473	1.1
124.01669	3.3
125.02458	17.3
129.01941	1.4
131.03516	6.2
137.02454	0.8
139.04022	0.8
139.07631	1.1
143.03520	2.8
148.01758	0.7
149.02457	0.7
149.04575	5.9
151.00366	9.0
152.01161	5.4
153.01923	2.8
159.03038	4.4
159.04298	0.8
161.04565	27.5
162.04820	0.6
163.03960	0.9
165.01978	0.8
169.01299	0.5
173.04562	1.1
175.00359	1.3
176.01146	0.9
177.01904	1.4
178.99864	8.0
179.03732	0.5
179.05675	0.6
181.01419	1.2
181.06650	0.9
187.03992	1.4
188.04732	0.8
191.05643	3.7
192.04285	0.7
193.06580	1.1
195.03041	0.6
202.06351	0.5
205.03523	0.8
211.04048	1.6
215.05695	0.7
215.91237	0.5
230.05829	4.0
231.06474	1.3
233.06662	3.4
237.05592	0.9
245.08061	2.4
255.06587	1.0
256.03763	0.5
258.05313	1.3
271.06171	3.4
272.06708	1.0
273.07590	2.1
274.04913	3.0
279.12369	1.2
281.04575	1.4
284.07114	0.5
285.07593	0.9
287.09268	2.9
288.06339	0.9
288.09436	0.7
289.07190	37.3
290.07422	1.6
293.08841	2.4
299.05652	4.3
303.08746	0.7
313.07190	9.7
314.07608	0.7
317.06641	21.1
317.10291	4.5
318.06949	1.1
331.08203	3.8
341.06085	0.7
343.08011	1.6
345.14334	0.7
347.17111	30.5
348.17426	1.5
412.71677	0.5
413.09912	0.5
451.12482	10.0
477.07498	0.5
479.11893	4.2
479.21329	100.0
480.21805	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15473	0.7
55.01880	3.1
57.03453	7.1
58.00591	2.4
59.01383	63.8
61.98836	2.7
65.00313	1.7
68.07787	0.7
69.03463	3.5
71.01387	65.6
71.05017	1.0
72.39220	0.7
72.97503	0.9
72.99308	5.7
73.02952	20.7
75.00876	2.8
76.48036	0.7
78.95913	1.7
81.03450	2.2
83.01387	12.1
83.05023	0.8
83.68305	0.8
85.02958	19.2
85.80002	0.7
87.00903	3.9
89.02452	62.0
90.02791	0.9
90.82882	0.7
93.03467	3.6
95.01385	5.8
96.96012	3.6
96.96964	2.9
97.02959	6.7
99.00884	21.6
99.04512	2.2
101.02454	51.0
107.01404	2.3
108.02199	1.1
109.02954	2.4
111.00873	3.8
111.04501	0.9
112.54381	0.8
113.02460	18.4
115.04007	6.2
115.07734	1.0
116.92897	1.6
119.03514	8.2
121.02978	1.0
123.00909	1.2
123.04539	1.5
124.01682	3.0
125.02460	54.8
129.01898	0.7
131.03522	12.9
134.03706	1.0
135.04494	1.4
136.01633	4.3
137.02460	5.8
137.06030	1.0
138.03195	1.4
139.04028	2.0
139.07657	0.9
140.59773	0.7
143.03491	4.6
149.02608	5.4
149.04562	35.1
150.03247	2.4
150.04881	1.0
151.00378	11.6
151.04005	6.9
152.01161	7.3
153.01971	5.0
159.03032	1.7
161.02425	1.3
161.04567	10.6
163.00351	1.0
164.01137	1.0
165.01933	18.9
165.05594	2.6
173.04544	1.8
178.99878	8.5
179.03502	2.2
179.05640	1.5
180.04245	0.9
185.06187	0.9
185.11819	3.6
191.05614	15.8
193.05055	1.1
197.08401	1.0
209.04597	2.7
213.05571	0.9
221.06662	1.6
227.03487	1.4
229.06741	1.1
229.08710	1.0
230.05785	1.8
231.06656	1.2
233.04509	0.8
233.06680	10.6
241.19859	0.9
243.82257	0.9
251.07774	2.9
255.06577	1.2
256.03732	2.7
270.05161	0.9
271.06076	0.9
273.07687	1.6
274.04797	3.6
279.12509	1.3
281.13400	0.8
283.02664	1.0
284.03278	13.6
285.07608	5.5
289.07220	39.8
290.07480	2.1
293.08835	7.7
299.05630	37.8
299.09097	1.8
300.05939	1.1
311.09842	1.1
313.07077	1.4
317.06631	16.4
317.10339	15.5
317.19672	3.2
318.06830	1.4
318.10330	0.9
331.08319	0.8
342.06024	2.2
347.17087	36.4
348.17401	2.2
451.12469	2.6
461.10956	2.1
479.11951	34.3
479.21384	100.0
480.12250	2.3
480.21609	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	479.1558
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
56.81960	0.7
57.03447	2.4
58.88798	0.6
59.01113	1.0
59.01385	14.8
61.51907	0.7
61.98836	6.8
69.03455	1.3
71.01389	12.6
71.32844	0.7
71.56706	1.2
72.97522	0.7
72.99313	1.4
73.02964	3.7
75.00853	0.9
79.04531	0.6
83.01402	1.8
85.02949	5.5
85.87247	0.6
87.00876	2.8
89.02460	9.6
93.03445	2.9
93.41865	0.6
94.96083	0.7
95.01416	0.7
97.02951	1.1
99.00887	2.2
99.04530	0.8
101.02443	7.0
106.20725	0.7
108.02187	7.0
109.02998	0.8
111.04552	0.9
113.02467	3.0
119.03524	1.5
121.02980	2.1
121.08820	0.9
122.03790	4.4
123.04533	3.3
124.01680	2.1
125.02435	2.6
131.03514	2.2
134.03853	0.8
135.04543	1.2
136.01674	9.9
137.02463	17.0
138.03247	7.2
139.04028	3.9
143.03583	1.2
148.01686	1.4
149.02463	1.8
149.04567	2.4
150.03235	10.3
151.04024	39.5
152.04707	2.5
153.05612	1.4
161.02458	7.3
161.04602	1.1
162.03197	1.6
163.00380	1.6
163.03967	0.9
164.01161	7.3
165.01939	7.4
165.05571	6.5
173.04561	1.7
175.80525	0.7
177.05629	1.0
178.02737	1.7
179.03519	10.5
180.04239	2.1
181.05072	2.3
182.05818	1.1
189.93697	0.8
191.05634	9.0
193.05000	1.1
226.06233	0.9
233.06667	1.6
241.05051	1.6
241.08681	0.9
242.05849	3.2
269.04590	1.8
270.05307	6.5
281.06635	1.1
285.07727	34.0
286.08017	2.4
299.09375	0.9
299.18597	1.2
302.08014	2.9
317.10306	100.0
317.19763	5.0
318.10648	6.6
341.10422	0.9
347.17126	5.6
479.26022	19.8
480.25214	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	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01376	1.6
61.98837	100.0
62.99955	0.2
65.35961	0.3
69.24870	2.1
71.01388	0.7
76.52462	0.3
83.01460	0.3
89.02470	0.7
93.03477	0.4
101.02457	0.6
102.45245	0.3
108.19565	0.2
113.02469	0.3
121.78370	0.2
123.04545	0.9
124.01632	0.3
125.02478	0.6
135.04543	0.4
137.02487	0.2
152.01143	0.3
152.46840	0.3
165.05687	0.2
173.04555	0.7
191.05669	0.4
252.33830	0.2
289.06982	0.3
294.61655	0.2
317.06821	0.9
317.19620	0.6
478.14645	0.7
479.11890	1.5
479.25156	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	479.1198
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
53.11617	0.8
55.01871	3.4
57.03451	8.2
58.00591	3.4
59.01384	62.2
61.94049	0.8
61.98836	4.5
65.00336	2.8
69.03458	3.5
69.41119	2.0
69.41526	5.4
71.01387	62.7
71.05045	1.0
72.99311	4.9
73.02557	1.5
73.02950	19.9
73.31614	1.0
75.00885	2.2
78.95914	1.8
81.03465	2.6
83.01392	14.2
85.02959	19.1
87.00887	5.1
89.02450	56.7
93.03463	4.4
95.01394	5.2
96.96014	3.8
96.96952	4.4
97.02959	7.2
98.19880	1.1
99.00892	22.2
101.02451	47.5
107.01426	2.1
108.02204	1.5
109.02953	3.4
111.00880	3.6
111.04480	0.9
113.02459	16.2
113.03223	0.7
115.04008	4.5
116.92885	1.1
119.03510	7.7
121.02993	2.4
122.03747	1.6
123.00903	1.3
123.04567	1.2
124.01649	2.3
125.02459	67.5
126.02889	1.1
131.03529	11.1
134.03734	1.2
136.01666	4.1
137.02419	4.4
139.04031	1.9
139.07625	1.2
143.03493	3.0
148.01714	1.0
149.02573	5.4
149.04565	28.6
149.05882	1.4
150.03239	1.9
151.00374	18.7
151.03989	6.1
152.01167	13.2
153.01959	8.8
159.02959	1.1
161.02518	1.3
161.04559	10.6
163.03964	1.7
164.01009	1.5
165.01939	21.0
165.05627	1.4
167.03468	1.8
171.15526	1.0
173.04626	2.5
178.99829	12.0
179.03482	1.1
181.91246	0.9
185.11800	4.4
187.03882	1.2
191.03949	1.7
191.05624	15.5
193.06705	1.3
197.31737	0.9
199.07584	1.3
204.55977	1.0
209.04497	4.9
211.04013	2.3
211.07689	2.2
215.05722	1.4
227.03465	1.6
230.05888	1.9
231.06418	1.4
233.06642	8.9
237.05569	1.7
239.03404	1.2
251.07721	2.3
255.06624	3.9
256.03732	4.8
258.05307	2.0
271.05991	2.3
273.07654	3.5
274.04904	3.1
279.12268	2.1
284.03229	15.9
285.03766	1.2
285.07419	2.2
289.07199	51.2
290.07526	2.7
293.08746	5.8
299.05630	49.0
300.05984	3.2
313.07117	1.6
317.03088	1.8
317.06622	23.0
317.10281	6.6
317.19675	3.0
318.07141	1.1
341.06656	1.0
342.05957	3.0
347.17096	32.5
348.17426	1.9
361.26840	0.9
451.12384	3.2
461.10855	3.2
479.11917	43.5
479.21338	100.0
480.12653	4.8
480.21280	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	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03455	2.4
58.00589	1.4
58.23220	0.8
59.01385	100.0
61.98843	11.8
70.61635	2.8
71.01389	51.7
72.99323	2.6
73.02950	10.7
75.00918	1.2
83.01384	6.3
85.02956	18.6
87.00912	3.2
89.02453	27.3
95.01399	3.5
97.02983	1.1
99.00908	6.2
101.02453	39.1
103.09837	0.8
106.81872	0.9
108.02180	1.0
111.00888	1.0
113.02462	24.0
114.02763	1.0
119.03531	10.7
121.02961	3.9
122.03757	1.4
123.92242	0.9
125.02473	2.5
129.01932	1.0
131.03511	3.4
135.04579	1.5
136.01660	1.0
137.02466	1.5
143.03532	4.8
151.00360	3.1
152.99617	0.9
159.02966	4.7
161.04565	24.2
162.04919	1.0
164.01135	2.8
173.04605	2.1
176.04010	0.9
179.05620	8.1
191.05521	1.9
196.00183	1.3
199.04015	1.3
205.03633	1.0
243.03001	3.3
255.19662	2.0
257.04443	1.1
258.09091	1.6
270.01627	1.1
271.02505	3.4
273.11313	8.3
276.94919	1.1
285.04114	3.4
286.04532	1.1
300.06360	2.5
300.14160	0.9
314.04468	4.3
315.05087	1.5
315.08707	20.4
315.12155	1.5
315.18124	1.8
315.25317	2.7
315.64352	0.9
316.09131	1.3
339.08600	2.1
387.19434	1.8
396.21472	3.6
396.71271	1.2
417.24942	43.7
418.25354	4.7
426.96613	0.9
454.50034	0.9
477.10242	8.9
477.24030	12.4
477.30484	10.0
477.74207	5.0
478.24780	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	477.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01370	1.2
63.39605	0.3
69.28618	2.5
78.95908	1.5
83.05027	0.4
83.79771	0.3
94.11006	0.3
97.06605	0.3
98.19889	0.6
99.04514	0.8
111.04563	0.6
125.02448	0.4
131.82294	0.3
135.04565	0.4
135.08220	0.7
136.05302	0.4
137.60794	0.3
149.06096	0.9
149.09720	1.0
150.06915	0.9
162.06880	100.0
163.07314	4.3
168.72993	0.3
175.07672	0.5
176.08453	6.5
177.09224	90.3
178.09573	3.8
191.07129	0.5
196.03798	0.4
216.11563	0.4
223.54195	0.4
281.24869	4.0
444.27258	0.3
444.32520	2.0
445.32828	0.5
459.34915	4.1
460.35468	0.7
462.33807	0.4
477.36011	14.0
478.29453	1.7
478.36307	2.1
493.15549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.4
61.98836	100.0
63.09354	0.3
69.34653	2.6
71.01390	2.7
72.01729	0.7
72.99350	0.4
73.02968	1.1
78.53009	0.3
83.01431	0.4
85.02951	0.7
85.87368	0.3
87.00873	0.4
89.02463	1.1
101.02457	1.6
102.02834	0.4
113.02457	0.6
120.35990	0.3
125.02505	0.4
161.04619	0.6
162.04924	0.5
191.05629	0.7
199.18166	0.3
269.10486	0.7
270.10635	1.1
271.11017	1.0
272.11118	0.6
281.51831	0.4
289.07068	0.6
299.05652	0.6
317.19855	0.4
416.16406	0.4
418.17068	3.2
433.79733	0.3
452.90573	0.3
479.25784	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03446	3.2
58.00598	0.8
59.01386	100.0
59.71971	0.8
60.01696	1.4
61.89204	0.8
61.98832	10.7
71.01390	32.5
71.01787	1.8
72.99300	1.5
73.02954	9.4
75.00887	1.1
83.01378	4.6
85.02961	15.1
87.00879	2.1
89.02454	15.9
93.03467	1.3
95.01388	2.1
97.02980	1.1
99.00903	2.9
99.04518	1.1
101.02462	23.7
113.02464	12.7
118.80655	0.8
119.03542	4.1
125.02470	1.4
131.03514	1.9
135.04602	0.9
143.03488	1.4
144.95049	0.7
149.04504	1.6
153.51021	0.7
159.03006	1.9
161.02470	0.8
161.04576	15.3
166.82755	0.8
173.04648	1.1
179.05618	1.6
184.12978	0.8
191.03561	0.8
191.05615	3.1
215.03502	1.1
242.02130	1.7
243.02988	6.3
255.19838	1.3
257.04599	1.3
270.01614	1.3
271.02551	5.9
285.04117	3.3
299.01999	1.0
314.04230	4.7
315.05017	1.9
315.21796	0.8
315.25397	0.9
345.19061	0.9
417.24973	57.9
418.25336	5.4
477.10251	12.9
477.23569	4.3
477.31567	6.2
478.10791	1.1
478.31439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86897	0.8
51.96201	0.8
53.95863	0.7
55.01882	1.4
57.03457	1.7
58.00604	1.0
59.01385	100.0
61.98836	2.5
68.66868	0.9
70.31136	3.4
71.01388	29.1
72.99325	1.2
73.02956	7.2
81.79676	0.8
83.01385	4.2
85.02959	11.9
87.00905	1.6
87.04583	0.9
89.01923	1.7
89.02449	17.0
95.01397	2.5
99.00887	3.4
101.02455	21.3
113.02456	14.2
119.03497	5.2
143.03497	2.9
159.02969	2.2
161.04572	20.3
179.05634	5.6
199.62750	0.9
242.02042	1.2
243.02994	1.3
255.19710	1.3
314.04300	2.0
417.24966	51.0
418.25247	3.4
477.10321	3.9
477.30560	1.8
478.24670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.6
59.01389	66.5
60.99300	9.4
61.98817	3.2
71.01379	16.6
71.04650	4.0
71.04995	6.0
73.02956	6.0
75.00854	3.3
85.02937	4.8
87.00848	4.3
88.00398	5.5
88.71357	3.1
88.98817	100.0
89.02460	81.7
93.03470	4.1
95.01354	3.2
99.00890	3.4
101.02434	13.5
109.02985	3.0
113.02478	6.0
116.77458	2.9
123.04530	6.3
125.02427	3.9
134.03729	2.9
134.19823	2.9
135.04494	4.8
139.07663	2.7
144.05959	2.8
148.90964	4.5
149.04558	5.0
161.04509	3.8
165.05562	2.7
173.04468	3.6
191.05640	9.9
191.57118	2.7
192.67044	3.1
268.95047	3.3
279.12234	3.9
319.39337	3.0
331.17743	5.5
398.87033	3.4
477.23965	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	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02656	0.8
55.01879	1.1
57.03410	0.9
58.00599	4.4
59.01383	95.2
60.01709	0.8
61.98831	2.7
63.14916	0.7
67.01879	1.0
69.03464	7.4
69.53210	4.5
69.53628	1.8
70.69083	1.0
71.01386	84.6
72.99306	3.1
73.02946	12.9
75.00898	3.9
78.95913	7.2
79.01906	1.6
81.03465	4.3
83.01407	6.4
84.47337	0.7
85.02957	10.5
87.00873	2.8
88.71472	0.8
89.02450	100.0
95.01358	2.9
96.96026	10.9
96.96968	13.9
97.02955	13.9
99.00886	20.1
99.04528	2.0
101.02451	19.0
110.00087	1.7
111.00898	2.9
113.02470	8.9
115.04010	7.3
119.03493	2.6
121.02958	3.2
125.02456	55.6
126.02775	1.2
127.04022	1.6
131.03516	13.5
131.10936	0.8
133.05133	1.0
137.99568	1.5
143.03505	3.6
149.04578	15.6
151.07596	0.8
153.01947	39.5
153.79227	0.8
154.02539	0.9
157.05099	0.9
161.04564	6.8
166.06354	20.0
167.06679	1.1
168.04285	26.2
169.04688	1.2
173.04642	1.8
175.06168	1.0
181.08707	23.1
182.09097	1.1
183.06609	6.8
191.05638	10.5
191.07201	1.4
201.19891	0.9
233.06660	42.5
234.07005	1.6
235.08194	2.2
293.08801	36.9
294.09186	1.9
315.04987	1.3
332.04352	0.9
417.17645	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	477.1041
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
71.36996	0.5
98.20671	1.2
122.48469	0.6
125.02409	0.5
151.00374	2.5
178.99860	0.6
181.16734	0.6
199.04066	2.5
201.01952	1.3
203.03508	0.6
215.03555	3.4
226.02715	0.8
227.03612	2.4
229.17912	0.6
242.02223	6.3
243.02986	28.2
244.03333	1.6
257.04587	10.0
258.04855	0.8
269.60989	0.5
270.01715	8.1
271.02499	31.8
272.02902	1.3
285.04059	19.9
286.04718	7.4
287.05252	0.6
299.02005	6.8
300.02643	4.0
314.04349	43.7
315.05011	10.2
357.06174	0.8
477.10388	100.0
478.10706	9.4
478.17160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04239	1.1
57.03451	5.9
58.06097	1.1
59.01384	18.5
60.01713	1.0
61.98840	2.8
63.93701	1.2
67.01896	1.6
69.37611	7.8
71.01386	8.9
72.99316	1.5
73.02952	1.5
75.00880	26.6
82.95432	4.9
85.02943	3.0
87.00881	2.9
89.02442	8.6
91.45585	1.1
93.03460	4.3
95.05011	1.4
96.95996	2.4
97.02962	4.4
97.06570	2.2
98.19917	1.7
101.02464	6.4
109.02949	3.2
109.06570	3.9
111.04533	2.7
113.02455	4.3
114.22275	1.1
119.03446	1.4
121.06622	2.5
122.03750	6.9
123.04530	2.9
124.05317	7.2
125.02477	1.6
125.06082	3.0
135.04561	2.2
137.06073	7.2
139.07660	64.6
140.08015	2.8
143.03520	1.3
147.08141	1.8
149.04610	2.2
155.19090	1.1
161.02274	1.4
166.02725	2.2
168.07948	15.9
169.08694	6.5
171.08122	1.1
173.04573	5.0
175.11301	1.5
177.12852	2.4
181.05031	2.9
181.08705	8.0
182.09045	5.1
183.09183	2.1
187.11299	12.5
190.09981	2.0
191.05620	7.3
205.12358	19.5
206.12468	1.7
217.12224	1.4
224.36021	1.3
229.39577	1.2
235.13438	5.3
249.11337	4.8
261.20926	1.2
279.12402	100.0
280.12656	4.8
314.04266	2.7
315.05081	1.8
318.30728	1.3
318.34558	1.3
417.21219	2.8
451.46469	1.4
477.09348	1.5
477.15179	4.1
477.23706	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	477.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39409	1.6
59.01385	25.3
61.98841	9.9
67.01859	4.7
69.03446	2.6
69.28207	1.5
71.01394	18.4
71.55411	1.7
73.02943	1.8
74.90720	1.6
75.00896	1.6
78.95909	3.3
80.13616	1.4
83.05034	2.9
85.02972	15.3
87.00894	8.4
89.02445	18.5
92.92301	1.9
93.03463	26.3
93.16384	1.8
96.46684	1.8
96.95991	7.4
96.96942	2.5
99.00813	1.6
101.02419	7.4
109.02908	2.1
111.04532	9.2
113.02441	3.9
115.03983	2.5
116.92867	4.3
118.98045	2.3
125.02419	6.1
127.03995	2.6
131.03474	1.9
135.04504	8.2
141.07028	3.2
149.04495	3.7
153.01932	4.0
155.03502	4.7
157.06531	1.7
157.86328	1.9
159.04427	1.9
161.02420	3.3
161.04546	2.3
168.04158	1.8
169.06537	3.3
172.05258	3.7
172.35799	1.8
173.04555	22.1
177.53984	1.6
179.03473	7.5
179.05406	1.7
180.03871	2.4
181.03387	2.5
181.05016	5.1
182.05319	2.2
183.05627	1.8
184.05345	3.9
185.06079	100.0
186.06488	5.8
187.07654	38.6
191.05620	93.0
192.06003	3.8
195.04520	1.6
195.06447	2.2
197.05954	2.4
211.04018	3.1
213.05586	20.0
229.05066	43.7
230.05229	2.4
231.06636	39.5
232.06982	3.1
233.06638	3.8
237.11343	2.0
241.04985	4.3
255.12300	3.5
258.98660	1.6
267.02908	3.2
285.04071	12.8
293.08777	4.8
303.05054	3.9
405.11798	3.3
456.49179	1.7
459.09384	51.5
460.09531	5.6
477.10202	64.1
478.10657	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39630	5.6
59.01364	8.5
61.98834	100.0
70.72916	12.4
70.73251	8.4
80.10744	5.9
122.67561	6.4
143.34885	7.1
180.01962	6.2
203.74590	6.9
236.80933	6.2
317.38370	6.1
335.10834	6.8
476.34290	10.3
476.38965	10.1
477.36075	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	475.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.8
70.56133	0.9
71.05014	1.7
73.54310	0.3
78.95939	0.8
98.20507	0.4
132.49573	0.4
145.04286	0.3
154.99734	0.4
163.03979	0.3
195.17709	0.4
198.00182	0.3
211.20706	1.8
237.11282	0.4
261.18677	0.7
275.20187	0.6
276.57968	0.4
279.23337	1.7
375.29346	0.5
415.32620	0.4
439.35095	0.4
475.38199	100.0
476.38516	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	475.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.0
69.52997	1.5
69.53418	0.7
71.05022	1.7
74.17315	0.3
78.95906	0.8
83.05054	0.3
83.95654	0.3
211.20706	2.1
261.18698	0.7
275.20462	0.5
279.23468	1.1
289.47342	0.3
431.39780	0.4
457.33154	0.4
475.38168	100.0
476.38510	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	476.2784
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
58.53421	0.3
59.01382	0.6
59.86617	0.3
67.38660	0.4
69.78973	2.0
71.05015	0.5
78.95916	5.6
80.74326	0.4
90.87960	0.4
106.59284	0.4
119.24112	0.3
125.02459	1.1
140.01180	2.1
152.99568	0.8
196.03804	1.4
200.41231	0.4
211.81990	0.4
214.04819	2.9
227.42072	0.4
279.23303	100.0
280.23651	6.4
325.51013	0.3
396.29587	0.4
398.31250	0.4
412.32907	0.4
413.34198	0.5
414.34525	3.7
432.35309	0.8
446.33588	0.8
475.34326	0.8
476.27777	8.3
476.34665	12.2
477.28061	1.1
477.35172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31465	0.3
59.01357	1.2
61.98814	0.4
65.14639	0.3
78.95913	26.2
90.15650	0.4
96.96959	0.5
106.16806	0.3
116.34734	0.3
125.02441	0.9
140.00224	0.6
140.01210	5.6
152.99567	2.7
171.00684	0.8
171.27885	0.3
184.98373	0.4
193.30563	0.4
196.03804	9.2
214.04836	2.2
261.22244	0.7
279.23306	100.0
280.23648	6.8
338.55334	0.4
369.45477	0.4
458.33771	0.5
475.35861	0.7
476.27945	26.5
476.34714	5.9
477.27322	2.2
477.35788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89567	0.5
57.03443	1.0
59.01166	0.4
59.01386	4.3
61.08540	0.4
66.35820	0.5
69.54241	2.8
71.05024	0.7
76.11771	0.4
78.07663	0.5
90.47540	0.5
94.69430	0.4
95.05036	1.6
98.19923	0.9
109.06581	0.5
115.07632	0.6
116.59045	0.5
125.02396	0.5
134.88890	0.5
178.20781	0.4
197.66228	0.4
261.95633	0.5
264.10431	0.5
350.33752	0.5
383.29514	2.2
385.31277	0.8
395.29703	0.9
397.31049	0.8
409.31219	1.5
411.32620	1.4
413.34277	50.9
414.34659	5.6
431.35519	6.5
445.33188	2.0
457.33572	3.5
475.34268	100.0
476.34659	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	475.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01381	1.3
66.28352	0.4
70.02519	1.0
70.02924	0.7
71.05027	3.9
96.95108	0.4
98.20611	0.6
111.08175	0.4
125.02467	3.9
134.60759	0.5
222.24074	0.4
239.16531	4.4
240.16968	0.5
279.23282	4.0
315.10782	0.5
381.28156	0.5
395.29321	2.9
397.31104	4.2
409.31149	1.9
411.32724	4.7
413.34271	28.8
414.34677	3.3
427.32288	1.7
431.24548	0.5
431.30609	0.6
431.35446	4.9
432.35526	1.0
445.33228	13.1
446.33551	1.7
448.48489	0.4
457.33221	2.2
475.34341	100.0
476.34656	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01385	100.0
60.01720	0.9
68.62881	0.4
69.19164	1.8
69.19588	2.3
71.01383	2.5
73.02950	0.8
80.29227	0.4
85.02967	0.6
89.02446	2.1
98.40937	0.4
99.04521	0.5
101.02461	1.5
113.02471	1.4
119.03536	0.8
161.04610	1.2
179.05649	0.4
215.55997	0.4
271.06287	0.7
415.23416	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00600	0.6
59.01385	100.0
60.01707	1.1
60.73144	0.4
61.98840	0.8
71.01389	10.4
71.06974	0.6
71.07308	0.4
72.99335	0.9
73.02950	3.1
73.45034	0.4
81.03460	0.6
83.01382	1.2
85.02957	4.9
87.00883	1.8
89.02453	9.0
93.03481	1.2
94.60806	0.4
95.01405	0.7
95.05039	0.5
96.96026	2.4
96.96967	0.5
99.00898	1.7
99.04558	0.5
101.02451	8.1
107.05051	0.8
108.02206	0.6
109.02966	4.3
109.06606	2.7
113.02460	4.7
119.03521	2.9
119.05011	3.0
121.02965	4.8
122.03780	0.7
125.02453	0.7
131.03499	0.5
133.02986	1.2
133.05104	2.3
134.03757	0.8
135.03510	0.7
135.04536	13.3
137.06096	21.3
138.06430	0.7
143.03499	0.8
149.06129	1.5
151.04015	1.2
159.03029	0.9
161.02512	2.9
161.04553	8.6
165.05608	0.6
173.04539	2.5
177.01947	2.2
178.02232	2.1
179.02187	2.0
179.03584	1.5
179.05634	2.0
180.02725	0.7
181.05081	53.9
182.05396	2.1
191.05650	2.9
196.98657	0.4
197.08237	0.6
233.06700	0.9
255.27242	0.4
265.44495	0.4
275.22983	0.4
293.08783	1.5
297.09808	1.4
301.16577	1.2
311.07413	0.4
327.48447	0.4
415.23395	20.7
416.23730	1.8
438.62878	0.4
459.22018	0.5
475.14539	27.5
475.25525	1.0
476.14709	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.10966	1.1
59.01388	100.0
60.01717	1.1
61.98836	4.6
69.31471	11.0
69.31812	2.2
71.01390	18.2
73.02942	7.1
79.18090	1.2
83.01400	5.3
85.02950	8.7
86.29475	1.2
89.02466	5.4
99.00882	2.5
101.02459	30.5
113.02454	8.7
119.03480	1.7
119.05055	2.3
151.00389	4.4
159.02888	1.7
161.04549	13.9
223.76941	1.2
234.15569	1.4
271.06207	9.9
415.23398	64.2
416.23691	4.5
475.25372	1.9
496.29654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
55.19613	0.2
58.00598	1.1
59.01383	25.8
59.98531	1.2
65.31854	0.2
69.03461	2.0
70.30178	0.7
71.01388	17.6
72.99324	1.6
73.02950	7.0
75.00887	0.3
79.01916	0.2
81.03468	1.4
83.01392	1.7
83.05045	0.2
85.02959	6.6
85.74424	0.2
87.00890	1.1
87.04526	0.3
89.02450	10.2
95.01418	0.8
97.02954	3.1
98.03744	0.3
99.00897	0.8
99.04527	2.0
101.02449	14.6
103.04018	10.3
109.02973	0.2
113.02496	1.1
115.04018	0.6
119.03513	5.5
125.02459	11.7
126.02850	0.3
127.04037	1.1
131.03522	0.6
131.54651	0.2
143.03494	1.8
145.05075	2.0
161.82162	0.2
163.04744	0.4
163.06133	7.4
167.10783	100.0
168.11121	3.7
173.04651	0.2
187.06081	0.2
191.10768	0.3
201.28236	0.2
205.07129	1.1
229.07202	0.4
247.08237	3.6
307.10358	3.5
308.10989	0.2
372.64600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45571	0.5
57.03453	26.3
58.00576	0.6
59.01384	100.0
60.01741	0.9
61.88208	0.6
61.98824	1.4
69.39244	4.3
71.01388	11.0
72.99334	0.6
73.02952	5.8
83.01403	1.5
85.02960	3.2
89.02449	7.5
93.03471	1.1
95.01414	0.8
99.00938	0.6
99.04529	26.3
101.02454	12.6
103.66577	0.5
113.02450	4.5
115.51379	0.5
119.03493	2.9
123.04579	0.9
125.02462	9.1
131.03535	0.6
134.03781	1.1
137.02504	1.0
143.03505	1.2
161.04575	3.3
173.04504	0.7
178.02858	0.6
179.05693	1.3
191.05618	0.9
193.05022	0.8
253.18034	0.6
281.07007	0.6
301.20187	0.8
331.17691	2.2
347.76993	0.5
371.71368	0.5
373.18820	1.7
415.23428	5.5
416.24109	0.7
475.12811	0.7
475.21240	1.2
475.26114	0.6
484.85709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00478	11.5
57.74983	11.0
64.68320	11.1
69.19462	23.1
69.19884	89.5
71.01393	25.5
71.22636	12.2
93.85521	10.6
94.61835	12.3
106.63009	11.8
115.00381	42.5
133.01447	100.0
137.02463	11.8
164.87033	10.9
191.05597	24.1
264.03751	13.8
409.04407	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	475.1457
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
57.72148	0.4
59.01381	13.4
70.88338	0.7
71.01388	1.9
86.48587	0.4
89.02442	2.4
95.05042	0.8
95.40172	0.4
97.02938	0.5
98.28811	0.3
99.00938	0.5
101.02481	0.5
107.05020	0.9
109.02950	6.4
109.06611	3.7
115.04814	0.4
119.05045	4.8
121.02956	6.1
122.03762	1.3
125.02450	1.2
135.04533	4.4
137.06093	36.9
138.06406	1.4
149.04521	0.4
181.05077	100.0
182.05396	5.0
211.13503	0.4
233.06810	1.0
293.08835	2.2
475.14578	47.5
476.14917	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	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.3
60.82053	0.3
69.32639	3.0
71.01389	1.8
81.03464	0.5
89.02453	2.3
93.03493	0.7
107.05037	0.7
109.02968	7.8
109.06611	5.0
118.72142	0.5
119.05046	5.1
121.02966	7.9
122.03770	1.5
125.02461	1.8
131.24142	0.4
135.04558	5.3
137.06100	39.0
138.06454	0.8
181.05086	100.0
182.05388	3.4
233.06706	1.1
293.08801	2.9
475.14609	45.4
476.14999	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	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62209	0.2
59.01381	2.5
60.52427	0.3
61.98829	0.5
69.35699	2.4
71.01381	0.6
74.41357	0.3
78.95912	7.4
83.05005	0.3
97.06555	0.3
99.04578	0.3
101.63012	0.3
122.00103	0.3
127.07627	0.4
140.01187	2.3
152.99608	0.7
161.72050	0.3
162.83833	0.3
172.82204	0.2
196.03806	1.0
214.04887	2.6
233.22942	0.4
259.20624	0.4
275.20227	0.4
277.21735	100.0
278.22064	6.2
413.34323	0.4
456.31445	0.3
472.12228	0.3
473.36362	1.8
474.26297	7.7
474.36563	10.5
475.27213	0.5
475.34479	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53362	0.5
54.46162	0.6
55.01316	0.6
57.03457	0.7
59.01383	5.8
61.98827	1.3
68.53079	0.5
69.03447	0.9
71.01382	1.0
71.05022	0.6
71.55914	0.9
78.95909	35.7
83.05048	1.0
96.96977	1.2
98.78436	0.7
122.00117	0.7
140.01202	6.6
152.99606	4.5
171.00635	2.1
173.08554	0.6
177.00053	0.5
177.32872	0.5
196.03839	12.6
208.98930	0.6
214.04961	2.8
223.93726	0.6
277.21741	100.0
278.22073	7.9
286.40155	0.6
289.21445	0.5
314.23856	0.5
385.63010	0.6
395.29416	0.8
397.31058	0.9
412.32709	1.8
413.34628	1.3
428.32486	0.7
429.33612	0.7
430.34180	5.9
431.35303	1.0
444.34845	1.0
456.31616	0.9
473.35132	1.0
474.26291	29.6
474.33185	29.5
475.34671	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	473.3641
Annotation	Myrrhanol B
Peak:m/z	Relative Intensity
59.01275	0.8
59.01580	0.6
60.33438	0.3
60.99187	7.5
60.99545	2.6
65.96278	0.3
70.96754	0.8
71.04901	0.5
80.02582	0.5
113.96392	0.3
114.17180	0.3
115.69785	0.3
115.92010	0.3
117.91798	0.4
121.14119	0.3
137.09579	0.9
146.21834	0.3
149.09583	0.6
163.11000	0.4
229.78947	0.3
232.67964	0.3
241.47809	0.3
393.31616	0.6
409.34753	46.8
410.35126	6.1
411.36694	1.6
419.31607	1.8
423.32761	0.5
429.37668	0.6
437.32733	0.6
455.35486	1.5
473.36456	100.0
474.36768	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	473.364
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
57.03461	0.4
59.01390	1.9
60.99318	1.9
60.99574	0.3
69.66370	0.3
70.18851	1.1
70.19191	0.3
71.05000	0.4
75.12290	0.3
80.02701	0.4
86.82638	0.3
97.06600	0.5
110.78330	0.3
148.02739	0.3
205.15961	0.4
277.21976	0.3
283.22928	0.3
313.23975	0.6
330.06329	0.3
370.17270	0.4
391.18964	0.3
393.31927	1.1
397.31509	0.3
409.34802	9.9
410.35425	1.1
411.32718	2.5
412.33261	0.4
413.34561	2.3
429.37561	9.4
430.38022	0.9
445.33472	1.0
455.31958	1.2
456.32428	0.3
473.36569	100.0
474.36914	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	473.3639
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
54.01526	0.4
58.63852	0.4
59.01377	0.8
59.05004	0.4
59.35310	0.4
60.99303	0.8
67.23766	0.3
71.00662	0.8
71.50799	0.3
74.45691	0.3
74.77848	0.3
86.36646	0.3
204.05099	0.4
216.78453	0.4
277.69971	0.4
381.31650	0.4
393.31482	0.6
409.34778	10.5
409.40213	0.5
410.35126	1.1
411.32504	0.8
413.34607	0.4
425.34302	2.0
429.37347	2.7
443.35306	40.1
444.35626	4.5
445.33286	3.9
473.36441	100.0
474.36737	11.0
485.95279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.22628	0.7
57.03449	2.3
59.01384	4.6
61.13522	0.9
61.98841	1.0
69.03487	1.2
71.01368	1.0
71.05019	1.2
71.55969	1.3
85.02986	1.5
97.06604	1.1
109.06604	0.8
235.22060	0.7
247.85344	0.7
341.25153	1.1
355.26541	2.0
357.27884	1.5
362.32098	0.7
381.11066	0.7
383.29770	0.8
385.31381	0.9
391.29294	0.9
411.33221	5.8
412.33026	1.1
415.31839	0.9
429.30301	2.3
453.30603	0.8
455.32266	4.8
456.32285	1.2
473.32990	100.0
474.33340	10.3
494.44388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.52779	0.7
57.03436	0.8
59.01368	3.2
62.41973	0.7
66.74479	0.7
69.37679	1.7
69.38094	3.7
71.04990	0.7
76.37508	0.7
95.05008	0.8
97.06629	1.0
112.79382	0.8
162.83963	0.8
189.32893	0.8
199.11278	1.0
241.32962	0.9
244.71536	0.7
263.20203	1.8
377.28601	1.4
383.30051	1.2
391.29990	3.8
393.31793	4.8
394.31873	1.2
395.29584	9.3
396.29773	1.0
407.29617	2.5
409.31183	8.7
411.32709	67.4
412.33026	7.3
425.30823	1.8
429.33914	2.0
437.30331	1.3
441.27234	0.8
455.31674	55.9
456.32028	7.4
472.54214	0.7
473.32809	100.0
474.33148	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	473.3274
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03458	0.7
58.00599	0.9
59.01388	2.5
66.98452	0.3
71.01385	1.1
71.05026	0.8
73.02950	10.0
73.03364	0.5
83.05065	0.4
85.02975	1.2
94.64917	0.3
97.06626	0.6
98.20757	0.8
111.08134	0.3
154.88490	0.3
168.58728	0.3
177.12857	0.4
210.53468	0.4
229.55215	0.6
235.99281	0.3
329.65155	0.4
332.90344	0.4
381.27850	0.4
391.30121	1.3
395.29745	0.7
397.31171	1.0
398.31448	0.3
399.32761	1.1
411.33041	2.0
417.30682	0.5
427.32468	0.4
429.29282	0.8
429.34872	2.2
437.30368	0.4
455.31699	4.5
455.37048	0.4
456.32071	0.8
473.32846	100.0
474.33267	11.9
486.06458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84861	0.2
58.76855	0.2
59.01386	100.0
59.48005	0.2
60.01723	0.8
61.98844	1.5
63.29160	0.3
68.66135	0.2
69.28297	0.2
71.01385	2.2
73.02962	1.8
80.29406	0.2
83.01417	0.5
85.02966	0.5
85.51731	0.2
89.02461	0.8
101.02451	3.0
113.02467	1.4
119.03533	0.5
131.03525	0.5
143.03641	0.3
149.04575	0.4
161.04617	0.8
191.05682	0.4
413.21945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
51.57447	0.5
53.47300	0.5
53.66614	0.6
54.89291	0.5
56.42378	0.5
57.03450	2.6
59.01377	4.5
60.99304	0.8
71.01405	0.7
71.55443	0.9
72.99310	2.6
83.05031	0.7
97.06615	0.6
153.46695	0.6
162.83972	0.8
164.83589	0.7
167.62308	0.6
169.64680	0.6
179.14374	0.6
181.60905	0.8
191.36012	0.6
195.86971	0.6
247.17093	0.8
258.96716	0.6
263.87589	0.6
332.84219	0.6
343.26340	1.9
345.27899	0.8
355.26175	0.7
359.29684	0.8
395.29761	0.8
409.34708	2.3
411.32776	2.7
413.30597	9.9
414.30780	1.0
427.31564	1.1
427.36456	0.8
429.33740	27.7
430.34119	2.6
455.31668	1.9
473.32190	34.5
473.36246	100.0
474.32193	4.1
474.36667	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	473.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
59.01385	3.7
69.03444	0.5
70.36893	0.8
70.37249	1.3
71.01384	0.8
71.05019	1.1
81.03458	1.5
83.05053	0.7
92.90077	0.5
95.05009	0.9
96.56560	0.4
97.06575	0.6
111.08183	0.8
113.53706	0.4
125.09719	0.4
127.11294	0.5
137.09767	0.9
149.09749	0.9
151.83286	0.4
159.10236	1.6
162.83900	1.2
181.08513	0.5
287.20108	0.6
289.21768	0.7
303.23328	0.6
327.23285	4.2
329.24875	6.7
330.24994	0.6
331.24811	2.4
343.26410	10.3
344.04684	0.5
344.26846	0.6
355.26422	0.9
383.29715	0.8
385.31317	0.6
389.28174	0.5
391.30017	1.6
395.29651	1.0
409.30997	1.6
411.32712	39.2
412.33087	4.7
429.33752	2.1
437.08633	0.6
437.30588	1.1
443.34644	1.1
445.33603	0.7
455.31693	39.7
456.32016	4.1
473.32800	100.0
474.33270	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	473.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	99.5
69.37137	25.6
69.37548	54.1
71.01390	21.6
76.32228	10.1
79.33207	8.9
80.65814	10.4
83.01393	10.9
85.02955	22.6
89.02476	9.5
101.02464	25.0
113.02480	13.9
181.04776	9.7
245.10344	11.2
305.19690	14.3
318.57224	10.7
437.23828	100.0
444.81601	10.0
466.16782	10.7
473.21652	29.1
473.28024	19.8
473.32770	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	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23561	0.6
56.19785	0.7
57.03467	1.6
59.01386	100.0
61.98839	1.1
69.44558	4.4
71.05039	1.1
73.02966	0.7
78.95918	0.8
97.06620	1.5
98.19874	0.7
117.82745	0.8
122.53004	0.7
177.12904	0.9
197.73607	0.7
315.11365	0.9
385.31100	1.0
395.29517	4.0
411.28372	1.1
411.32867	3.2
425.34811	1.0
427.31372	1.1
427.36349	1.3
429.34610	3.8
455.32068	5.0
473.32504	34.0
473.36853	27.0
474.32437	4.4
474.37784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89500	0.6
52.17467	0.7
57.03474	0.9
59.01385	100.0
60.01736	0.7
61.98838	0.7
71.01387	7.5
71.57144	1.1
72.99316	1.0
73.02946	3.7
83.01418	1.5
85.02978	3.9
89.02449	4.8
93.03474	0.6
99.00917	1.1
101.02460	5.5
113.02458	3.8
119.03544	0.8
121.02969	1.1
131.03479	1.2
135.04526	1.0
143.03569	0.9
149.04622	1.3
153.70549	0.6
161.04614	2.2
176.91325	0.7
209.15617	0.9
225.37862	0.8
326.34088	0.7
341.19870	2.4
344.07944	0.6
346.18881	0.7
371.20959	1.0
413.21838	1.4
473.23630	7.3
474.24249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19898	0.9
57.03457	100.0
58.00603	2.6
59.01388	50.2
61.98838	2.1
66.91074	1.0
66.97444	0.9
71.01390	11.2
71.05006	1.4
72.59586	0.9
72.99316	1.4
73.02950	3.5
81.03461	2.4
83.01419	2.3
83.05050	1.0
85.02960	3.3
87.00872	1.4
89.02457	3.0
93.03466	2.4
95.01400	1.3
97.06613	1.4
98.20666	2.9
99.00919	2.6
99.04531	63.7
100.04892	1.8
101.02458	27.4
103.04014	3.5
109.06599	4.0
111.04584	1.1
113.02446	4.5
115.93038	1.1
125.02464	13.7
135.04506	2.2
136.97153	1.1
137.02432	2.2
137.06068	2.2
139.07652	3.8
143.03534	2.5
145.02905	1.4
151.07602	1.0
160.06639	1.0
161.04539	2.9
167.10872	1.8
169.08733	5.4
173.04567	7.0
185.11815	2.7
191.05669	2.2
227.12894	30.5
228.13266	1.3
229.13715	1.2
329.16077	58.0
330.16278	3.2
411.20389	2.3
413.21725	2.2
473.11182	1.4
473.20309	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60699	0.5
59.01385	36.3
60.27266	0.6
61.97662	0.6
61.98825	1.7
71.01387	7.6
71.57323	0.9
73.02958	1.5
75.00875	1.1
76.21841	0.6
78.95921	0.7
84.46304	0.7
85.02950	2.1
87.00885	2.1
89.02455	39.3
93.03455	1.0
96.96007	1.1
99.00902	0.6
101.02463	3.9
108.02189	0.9
113.02441	2.1
113.29517	0.6
119.03520	1.4
119.05043	1.9
121.02959	1.3
123.04516	2.7
124.01685	1.2
125.02472	1.0
133.05086	9.8
134.03757	0.8
135.04549	7.2
135.10742	0.7
136.05304	9.3
141.15475	0.6
143.03482	0.8
149.06053	0.9
150.03232	0.7
151.04005	2.2
151.07661	2.1
161.02454	0.7
161.04538	3.7
164.04802	0.6
165.05574	1.2
173.04524	1.1
179.05609	0.8
191.05611	2.9
195.06638	100.0
196.06975	5.2
201.98068	0.5
220.55908	0.6
233.06540	0.7
241.46312	0.6
299.01950	0.6
323.16202	0.9
339.10876	3.4
357.11987	15.9
358.12213	1.0
413.22025	1.5
429.14169	2.5
473.19562	1.0
477.00537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50374	0.6
57.03453	33.5
58.03796	0.6
59.01384	17.4
61.98822	0.7
69.03457	0.8
69.69498	0.5
71.01391	6.0
71.56963	0.7
71.72816	0.6
72.99319	1.0
73.02958	1.4
78.11147	0.6
78.95914	1.4
80.14157	0.6
81.03442	0.7
83.01443	0.9
85.02979	1.2
87.00880	13.2
87.05630	0.7
88.00403	1.2
89.02456	8.2
89.52946	0.6
93.03468	3.3
96.96026	2.2
97.02966	0.7
99.00895	2.0
99.04522	1.7
101.02467	4.7
103.63242	0.6
109.02970	3.2
113.02473	1.9
119.03522	1.0
121.02970	31.9
125.02443	5.0
127.04054	0.8
128.03569	6.7
129.06706	0.9
131.03522	0.8
134.03725	1.1
135.04530	2.0
137.02470	1.4
138.76004	0.6
143.03384	0.8
149.04587	2.3
152.04805	2.6
161.02466	0.7
161.04620	1.7
162.03244	20.1
167.07158	4.4
173.04539	1.8
177.05573	26.3
178.05917	1.2
179.07153	100.0
180.07521	3.5
191.05623	3.3
209.59460	0.7
221.28859	0.6
233.06630	3.0
293.08868	6.2
296.13669	0.7
374.20410	0.7
380.87787	0.7
409.24075	0.6
413.21732	1.0
429.19708	4.1
437.20096	0.8
473.16708	5.2
473.22751	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02200	0.3
59.01382	2.7
61.98835	10.0
71.01390	1.6
75.00885	0.6
78.95937	0.5
81.77579	0.3
85.02956	1.4
87.00882	0.7
89.02467	1.0
93.03468	2.9
95.69093	0.4
96.96021	10.6
96.96613	0.7
98.20643	0.9
101.02434	0.6
103.29333	0.3
107.05030	1.0
109.03005	0.6
111.00856	0.4
113.02512	0.4
119.05030	1.2
123.04453	0.4
127.04060	0.6
127.13198	0.3
131.03516	0.4
133.02992	0.8
134.03748	2.8
135.04535	84.9
136.04887	2.3
137.02458	3.8
149.06024	0.4
152.91841	0.4
161.02481	0.9
161.04555	0.3
163.04022	2.4
165.09314	0.4
167.03403	0.4
173.04521	1.7
175.03964	0.5
177.01932	3.3
177.05560	1.0
178.02246	1.0
179.03514	100.0
180.03847	3.7
191.05621	21.4
192.05988	0.5
193.05006	0.5
219.06718	0.5
221.04585	1.8
293.06366	0.4
306.63876	0.4
311.00601	5.0
311.07602	1.8
337.09497	0.5
353.08856	1.8
375.07013	2.5
413.10699	0.4
473.04611	2.1
473.12927	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	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06080	0.7
52.31983	0.8
55.80674	0.7
57.34931	0.7
59.01388	5.3
61.98836	1.2
70.00375	3.7
71.01376	4.0
75.00881	1.7
78.95923	1.7
83.01407	0.9
85.02979	3.9
87.00876	1.5
89.02425	2.4
93.03452	7.2
96.96018	21.1
96.96965	1.8
99.00900	1.0
101.02493	1.3
101.16924	0.8
107.05038	1.0
109.02962	19.9
111.00888	6.9
111.04549	1.1
113.02422	1.2
119.05017	2.9
121.02948	1.5
123.04510	1.3
125.02425	2.2
127.04017	1.2
131.05069	0.8
133.02966	2.5
134.03757	2.6
135.04535	36.2
136.04828	1.1
137.02454	13.7
137.06114	2.5
139.04028	1.4
143.05057	1.5
147.04510	4.2
148.05354	1.7
149.02411	2.0
149.06087	19.7
151.03975	1.2
159.04469	5.0
161.02496	4.5
161.06038	6.2
162.03223	5.2
163.04025	7.2
163.07736	1.2
164.04773	2.6
165.01944	1.0
165.05568	5.6
171.04498	1.3
173.04567	4.4
173.05882	0.8
174.03287	2.0
175.03987	4.1
177.02139	6.8
177.05580	91.4
178.02272	3.9
178.05881	3.0
179.03574	14.3
181.05090	2.3
188.04837	1.2
189.01810	1.4
189.05583	42.1
190.02663	0.8
190.05983	2.0
191.03772	1.9
191.05615	50.0
192.05995	1.7
193.05086	1.6
195.06508	0.9
201.01736	4.0
201.05589	2.1
203.03505	2.1
205.05009	0.9
207.06664	10.3
219.02940	0.9
219.06630	1.9
221.04570	44.6
222.04871	1.1
231.06645	2.6
239.05629	2.0
249.07646	4.0
250.08261	0.8
267.08707	8.4
268.09015	1.4
299.07733	1.1
311.00580	6.0
311.07751	100.0
312.07996	5.1
339.78036	0.9
351.10941	1.7
353.08789	7.8
375.06967	17.1
383.09869	1.5
409.58682	0.8
473.03842	3.7
473.12973	14.5
474.13263	1.5
475.47729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21848	0.4
57.03458	1.5
59.01385	89.5
60.01707	0.4
60.99308	0.6
61.98838	1.1
64.59982	0.4
67.01897	3.2
69.03463	0.9
71.01390	5.7
71.57217	0.5
73.02953	1.2
75.00871	1.1
75.83109	0.4
81.03478	0.5
83.01424	0.5
83.05043	0.6
85.02972	1.8
87.00880	0.8
89.02435	2.4
93.03468	25.9
94.03809	0.5
96.96017	0.6
99.00878	0.5
99.04527	0.4
99.73676	0.4
101.02444	2.0
108.27395	0.5
109.02943	0.5
111.00937	0.7
111.04536	4.5
113.02468	1.8
119.03497	1.0
127.04070	0.4
133.03000	1.2
135.04530	1.5
137.02457	22.4
139.39481	0.4
141.79973	0.5
155.03490	4.1
161.02461	1.6
161.04558	1.9
173.04562	100.0
174.04897	3.3
179.03526	1.9
179.05438	0.5
191.05592	2.3
220.08514	0.7
242.00948	0.4
311.07751	47.9
312.08145	3.5
315.26172	0.4
347.97186	0.4
413.21857	2.4
431.23065	0.6
437.20160	0.5
473.10861	0.8
473.24152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02442	0.4
54.90384	0.4
59.01378	2.0
67.01894	0.8
68.88446	0.5
69.42873	3.4
71.01380	1.3
72.37769	0.5
78.95911	54.1
79.68483	0.5
85.02959	0.9
85.04096	0.5
89.02478	1.1
93.03481	5.4
96.96041	25.4
96.96967	100.0
98.20597	1.0
101.02448	0.5
109.02953	1.0
111.04516	0.6
118.93497	0.5
119.05015	0.7
133.69954	0.4
135.04585	2.3
137.02461	4.2
155.03534	0.5
161.02417	0.7
163.04007	1.2
164.04697	0.8
165.05586	1.2
173.04562	13.7
177.01984	3.0
177.05589	4.5
178.02277	1.5
179.03496	1.4
181.05223	0.5
189.05556	1.9
191.05621	7.2
197.55688	0.4
201.01672	0.6
221.04543	1.4
269.37125	0.5
311.00845	0.9
311.07654	2.6
353.08826	1.3
375.07016	2.4
473.03912	0.5
473.12289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19310	0.3
56.28661	0.3
57.03453	0.4
59.01387	12.0
61.98838	100.0
69.76118	1.3
69.76527	0.8
69.84869	0.3
71.01395	4.4
73.02962	1.5
79.45589	0.3
83.01422	0.7
85.02961	2.0
89.02467	1.5
99.00923	1.0
101.02454	3.4
109.37674	0.4
113.02459	1.6
114.02866	0.4
119.03529	0.8
159.02982	0.3
160.85564	0.3
161.04572	1.2
166.05099	0.5
171.06494	0.4
191.05722	0.6
223.11699	0.6
239.95523	0.3
413.22253	0.6
471.74173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01382	4.8
61.98836	100.0
65.41610	0.3
66.24081	0.4
69.41975	3.0
70.86400	0.4
71.01402	1.4
73.02972	0.5
85.02952	0.4
91.14960	0.3
91.60159	0.4
98.20724	0.7
101.02478	1.6
113.02507	0.4
120.63443	0.3
133.03017	0.5
135.04561	1.4
161.02512	1.7
177.05653	0.6
177.92401	0.3
179.03555	1.1
221.04597	0.5
251.05640	0.8
264.15399	0.7
265.15631	0.6
266.15872	0.4
281.06772	1.4
341.08917	1.2
412.21817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63293	0.2
57.03455	0.2
59.01385	9.0
60.01712	0.3
61.98837	100.0
67.74528	0.2
71.01395	2.0
73.02939	0.4
83.01389	0.3
83.17629	0.2
85.02961	0.7
87.00906	0.3
89.02464	0.8
93.10530	0.2
96.95999	0.2
101.02460	1.2
113.02475	0.7
119.03551	0.4
131.03525	0.2
161.04584	0.5
173.04559	0.3
179.05722	0.3
187.50677	0.2
191.05649	0.3
238.34001	0.2
280.47614	0.2
413.21860	0.7
471.74692	0.4
472.24106	0.3
488.43076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16775	0.6
59.01382	2.6
61.98830	0.9
67.01879	0.7
69.41281	3.3
69.41692	1.5
70.41124	0.7
71.01400	1.5
73.66209	0.7
75.00894	0.9
78.95925	1.1
79.95770	1.0
85.02959	6.5
87.00885	1.7
89.02385	0.6
89.03269	0.7
93.03463	4.6
96.96023	52.4
99.03519	0.7
107.05051	1.2
109.02962	6.0
111.00893	1.8
111.04540	2.5
117.03450	0.9
121.02977	1.1
123.04514	0.7
127.04002	2.5
133.02966	3.6
134.03761	10.7
135.04546	73.7
136.04869	2.1
136.94003	0.8
136.98569	0.9
137.02451	1.2
147.04590	1.0
149.02505	1.0
149.06099	4.8
151.04004	1.2
155.03561	2.0
161.02486	6.5
161.06122	1.0
162.03235	1.7
165.05653	1.1
173.04587	7.6
177.01971	3.8
177.05609	18.9
178.02325	2.0
179.03537	62.0
180.03857	1.6
189.01695	5.6
189.05563	4.9
191.05641	100.0
192.06001	2.3
201.01726	21.7
203.03455	0.7
219.06662	0.8
221.04562	13.0
231.06636	1.1
239.05472	0.8
249.07730	0.9
267.08728	0.7
280.97171	0.9
292.99155	0.8
298.98300	2.2
311.00464	2.7
311.07770	13.8
312.08038	0.9
353.08786	45.7
354.09048	3.0
375.06989	55.4
376.07199	4.3
383.09818	2.6
473.03687	13.8
473.12799	2.6
474.04459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Augustic acid
Peak:m/z	Relative Intensity
59.01393	0.4
60.35107	0.4
68.24053	0.4
69.17094	3.2
69.17504	0.9
72.84122	0.4
73.28894	0.4
98.20731	0.8
101.97589	0.4
109.11182	0.4
123.08154	0.9
142.37216	0.6
261.88693	0.5
308.83667	0.4
377.28482	3.0
393.31659	15.1
394.32059	1.5
409.34760	25.2
410.35016	2.7
410.68643	0.5
425.34253	1.2
427.35849	8.2
428.35992	1.1
453.33759	4.1
454.34015	0.7
471.34802	100.0
472.35181	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39577	0.3
56.46791	0.3
57.03429	0.5
58.49715	0.3
59.01365	0.5
61.62912	0.3
62.94086	0.3
70.97403	0.8
83.05022	1.4
160.09435	0.4
179.62437	0.3
391.30038	0.4
407.33295	2.1
409.31317	1.1
423.32742	0.6
425.34003	1.3
427.31720	0.7
427.36670	0.6
441.33743	0.4
444.91666	0.4
453.33603	0.3
471.34912	100.0
472.35242	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	471.3482
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.13721	0.2
50.16205	0.2
50.53613	0.2
57.03461	0.3
59.01387	3.1
60.99319	0.5
71.04998	0.4
71.39635	0.3
73.02943	0.4
85.02960	0.5
87.00890	0.5
87.01397	0.2
92.31776	0.2
139.04924	0.2
147.03018	0.5
150.57744	0.2
162.33777	0.3
179.11089	0.2
198.82637	0.2
218.89694	0.2
219.13986	0.3
233.97281	0.2
254.22583	0.2
315.26419	0.2
331.30118	0.4
341.30624	0.9
355.26520	2.1
356.27023	0.2
383.29382	0.3
409.34866	2.4
410.35431	0.3
423.32538	0.2
427.35754	1.1
443.35260	1.0
453.34247	0.4
471.34827	100.0
472.35144	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
71.05019	1.3
73.59164	0.4
79.14606	0.4
80.85313	0.4
83.05038	0.5
88.24706	0.4
97.06612	0.7
98.07508	0.5
125.09807	0.5
160.84215	1.9
162.83887	1.8
191.56169	0.4
332.40039	0.5
337.00516	0.5
383.29800	0.5
391.29990	0.5
399.16821	0.6
409.31290	3.2
411.29056	0.5
423.07748	0.5
423.32697	1.2
427.32224	2.7
435.31744	0.5
453.30170	1.8
471.35181	100.0
472.35529	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01385	0.7
65.34489	0.3
71.05057	0.5
77.99871	0.3
95.50177	0.2
97.02979	0.6
97.06596	0.3
98.19843	0.5
101.34311	0.3
101.98737	0.3
121.94714	0.2
125.09747	0.3
135.08275	0.3
179.26134	0.3
248.27988	0.3
353.28821	0.3
409.31454	1.7
427.32404	0.5
441.34091	0.5
453.29892	1.7
471.34998	100.0
472.35345	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
63.96264	0.4
64.49741	0.4
66.54922	0.4
70.86323	0.4
70.86657	1.0
71.01411	0.6
78.54521	0.4
91.47100	0.5
101.97875	0.4
103.37244	0.5
109.16793	0.4
111.22254	0.4
115.40669	0.4
142.40196	0.4
152.40875	0.4
159.27571	0.4
177.09561	0.6
218.11021	0.5
342.74765	0.5
399.33041	1.0
407.33011	0.6
411.33286	0.7
425.25555	0.5
427.36414	2.5
471.34900	100.0
472.35165	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	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01387	1.8
60.99313	0.7
69.89111	1.4
71.01397	4.3
71.05041	0.4
78.84666	0.4
78.95952	0.5
237.22173	0.4
269.21329	0.6
286.93112	0.5
299.22287	1.3
318.69763	0.4
327.25470	0.5
383.29468	0.5
391.30234	0.7
397.31277	1.2
399.32672	1.6
407.33234	18.4
408.33652	1.7
409.35092	0.5
411.32773	0.4
427.35892	8.4
428.36139	1.0
453.33835	1.2
471.34891	100.0
472.35291	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	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.03448	0.9
61.79658	0.2
65.90138	0.2
66.93775	0.2
69.34641	1.5
69.35050	0.4
79.32042	0.2
83.06582	0.2
97.06590	0.8
98.20666	0.5
109.04212	0.2
123.08153	0.3
125.09725	2.9
187.09814	1.4
220.91003	0.3
221.19156	0.9
265.18219	0.6
283.19232	0.8
311.76495	0.2
409.31308	0.4
427.32431	0.7
441.33841	0.4
451.31940	0.2
453.29419	0.5
471.34952	100.0
472.35281	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	471.3482
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.04145	0.3
56.01560	0.2
56.20457	0.2
56.30256	0.2
57.03452	0.5
59.01377	0.8
69.36240	1.1
69.36664	0.9
69.89680	0.2
71.05064	0.3
211.48640	0.3
381.31805	0.5
399.32858	0.6
407.33167	0.8
409.31592	1.1
411.32776	0.6
425.34427	0.5
427.35898	9.4
428.36325	1.3
441.33463	0.4
443.31879	0.5
453.33792	13.7
454.34354	1.5
471.34915	100.0
472.35239	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21431	0.3
51.02144	0.3
55.05849	0.3
195.57263	0.3
237.04001	0.3
264.76575	0.3
393.31488	0.4
424.40524	0.3
429.04956	0.3
471.34805	100.0
472.35153	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36497	0.3
57.50248	0.3
59.01381	0.5
65.99777	0.3
69.18854	2.1
69.19273	1.3
76.29292	0.3
98.20677	0.7
131.08336	0.3
135.85982	0.3
138.31122	0.3
143.34447	0.3
179.51180	0.3
199.96014	0.3
222.64940	0.3
253.00208	0.4
309.88721	0.3
411.32867	0.8
423.32959	0.4
471.34882	100.0
472.35269	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43848	0.3
51.94817	0.2
59.01373	0.6
71.02222	0.6
97.06616	0.7
119.56535	0.3
121.66381	0.3
125.02542	0.3
177.59341	0.3
263.30664	0.3
365.12326	0.3
407.33221	1.2
409.31909	0.4
427.31735	0.6
441.33832	0.9
451.32159	1.2
453.34128	1.9
454.34174	0.4
471.34891	100.0
472.35266	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	471.3482
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
59.01381	0.6
64.18925	0.4
66.65907	0.3
79.49634	0.3
83.05027	0.8
93.40295	0.3
102.71513	0.3
185.75533	0.3
231.05321	0.3
238.32430	0.3
306.23380	0.3
338.06342	0.3
378.58084	0.4
407.33362	1.4
409.30972	0.7
411.32675	1.1
425.34146	0.5
427.35800	12.2
428.36276	1.7
444.55200	0.4
453.28165	0.5
453.33838	6.3
454.34076	1.1
469.05261	0.3
471.34836	100.0
472.35168	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
73.66515	0.5
77.49816	0.5
97.02944	1.1
98.19868	1.0
100.15988	0.5
102.95758	0.5
229.02448	0.6
263.83578	0.5
359.16248	0.5
409.30984	1.7
427.32019	1.1
441.33765	70.9
442.34058	7.8
453.33429	0.8
471.34933	100.0
472.35342	10.9
481.97293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
52.97917	0.6
56.74707	0.6
58.03547	0.6
70.49699	0.5
78.72543	0.7
95.28731	0.6
96.29067	0.6
97.06595	3.7
106.70864	0.6
108.95632	0.6
113.60237	0.6
137.99777	0.6
162.33081	0.6
165.01096	0.7
189.98642	0.7
310.53925	0.8
362.88824	0.7
373.25131	0.7
389.28610	1.5
391.30136	6.3
405.31656	5.2
407.33157	11.5
408.33676	1.4
423.29214	1.4
436.09985	0.7
436.55090	0.7
439.32294	1.1
441.33749	37.3
442.34131	3.6
451.32260	14.9
453.28561	1.0
453.33786	63.1
454.34155	6.6
471.34979	100.0
472.35263	12.0
497.32935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50502	0.6
68.84939	0.5
70.29533	1.1
71.05020	0.6
79.12737	0.5
97.06605	3.3
110.85997	0.5
192.57042	0.5
203.78870	0.5
218.14404	0.5
374.26251	0.6
389.28384	1.0
391.30127	4.6
405.31689	4.4
406.32007	0.7
407.33194	9.8
408.33710	0.8
423.28995	1.1
437.29691	0.6
441.33508	1.1
451.32208	10.9
452.32718	1.0
453.33752	44.4
454.34204	5.7
471.34854	100.0
472.35114	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	471.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61249	1.1
53.12926	1.2
57.03448	3.3
59.01377	2.8
71.05014	1.2
83.05044	2.5
92.34493	1.0
95.05078	2.0
97.02959	3.7
97.06567	1.4
101.38974	1.1
111.08146	1.4
137.09714	3.9
151.11290	23.1
259.17050	3.9
273.18771	1.6
275.20108	11.9
276.20508	1.5
277.21765	3.4
282.29062	1.1
287.20325	1.3
289.21741	2.1
299.19949	1.8
397.31125	4.9
399.32904	2.5
407.29361	1.5
409.31100	12.7
410.31906	1.6
411.32880	8.2
425.30392	2.3
427.31958	20.1
428.32443	3.0
441.33841	12.7
442.33795	2.0
453.29089	2.3
453.33780	3.8
471.30804	99.6
471.34976	100.0
472.31104	11.0
472.35495	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	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
58.43785	0.4
58.90154	0.3
69.44853	2.4
98.19907	0.7
339.26675	0.5
350.79776	0.3
353.85361	0.4
407.28415	0.5
407.33279	3.3
425.34634	0.3
448.65900	0.3
469.15088	0.4
471.34830	100.0
472.35193	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	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36178	2.7
57.03449	3.4
58.00596	4.7
59.01386	100.0
71.01392	48.3
71.05029	2.1
72.06363	2.1
72.99322	3.9
73.02952	2.7
73.54718	1.9
85.02951	11.4
89.02451	48.9
89.40619	2.1
95.01389	3.0
95.73244	2.1
99.00912	3.2
101.02456	29.7
106.97980	2.3
113.02464	17.2
115.04025	55.6
116.17353	2.1
119.03505	21.7
130.70874	2.3
134.53635	2.1
143.03542	3.8
161.04543	3.1
163.11186	2.3
173.08041	2.2
175.14893	5.4
179.05603	4.3
191.05630	2.6
229.19592	6.9
231.35912	2.0
273.18698	7.3
291.19699	91.5
292.20020	7.9
309.20850	2.7
336.05045	2.5
471.26041	98.3
472.26334	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	471.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.9
60.99312	2.0
67.70238	1.1
69.81507	5.7
70.16528	1.2
71.05022	1.8
76.23242	0.9
83.05043	1.5
93.53416	1.0
97.06565	2.2
101.63951	1.0
105.21398	0.9
137.09732	3.9
151.11296	19.7
163.11320	1.3
177.12938	1.2
189.12952	1.3
201.12799	1.2
223.13254	2.4
259.17007	3.7
267.42538	1.2
275.20245	11.1
277.21744	3.5
290.68701	0.9
299.20023	1.8
317.24820	2.9
355.26218	1.0
393.28534	1.2
397.31128	5.2
399.32614	2.0
407.33813	6.1
409.31168	25.5
410.31549	2.4
411.29147	1.3
425.30725	1.1
427.32138	24.2
428.32669	2.4
441.33765	7.1
453.30176	3.8
471.30630	68.7
471.34955	100.0
472.31024	9.8
472.35544	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.4
59.01386	97.2
61.98843	13.7
67.27656	2.7
71.01388	46.7
71.56884	3.3
72.13654	2.8
73.02951	12.9
79.95743	4.4
82.08180	2.6
83.01396	4.3
83.05025	14.7
84.02233	2.4
85.02976	17.7
87.00890	16.4
89.02451	33.3
90.02777	3.2
90.44627	3.0
93.03491	7.6
95.01398	5.0
96.96030	27.2
99.00908	5.4
99.04531	8.3
101.02445	31.0
111.04523	25.4
113.02450	21.3
119.03525	10.5
119.78223	2.9
122.97574	3.4
123.04487	2.7
125.02468	3.1
125.91996	2.5
133.03017	3.3
133.05040	7.0
134.03755	40.8
134.48257	2.6
135.04510	5.8
137.02419	8.5
137.09763	8.0
143.03496	6.6
149.02457	3.6
149.06085	24.3
159.03056	3.6
161.02463	6.7
161.04552	41.1
165.09225	6.4
173.04533	9.1
177.01938	6.1
177.05579	3.4
178.02719	29.0
179.05568	6.5
191.05673	17.0
193.05069	83.9
194.05455	3.2
195.06664	8.2
205.25873	2.6
208.03619	3.1
209.08159	11.4
215.10663	2.9
216.11470	23.0
223.06177	11.1
230.13129	5.3
231.13908	100.0
232.14220	8.9
275.02280	6.1
337.09216	3.3
349.09558	2.7
350.38696	2.8
355.10144	5.4
390.21844	3.5
393.19110	4.4
471.09348	14.9
471.20621	7.8
471.35028	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74201	1.1
59.01384	100.0
61.98837	9.9
69.42158	1.5
69.42567	6.4
70.17631	1.0
71.01384	6.8
73.02969	2.6
75.00889	1.1
82.74374	1.0
83.01402	1.2
85.02935	2.7
89.02454	3.5
95.01376	1.2
99.04552	1.3
101.02451	8.4
108.09129	0.9
113.02457	4.4
119.03492	1.7
131.03459	1.4
137.09657	1.2
143.21043	1.0
143.58562	1.0
146.24715	1.1
161.04550	1.9
174.00891	1.0
223.77142	1.1
228.36545	1.4
262.05505	1.1
471.24228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.9
57.54211	0.7
59.01383	100.0
60.01706	1.1
61.98839	4.8
69.35157	0.6
69.44700	5.4
71.01373	4.6
73.02947	3.6
83.01379	1.2
85.02986	1.6
89.02472	2.4
96.50287	0.7
98.20596	1.6
101.02465	6.2
113.02479	2.9
119.03522	1.5
125.02415	1.0
130.85007	0.7
131.03497	1.3
135.16708	0.7
161.04636	2.1
414.06174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.9
57.03455	6.3
58.00573	4.4
59.01386	86.4
61.98846	7.0
62.99993	4.1
71.01391	85.0
71.05037	6.9
72.47819	3.9
73.02959	23.2
83.01408	20.3
85.02964	46.8
89.02450	26.0
90.17089	4.2
95.01390	6.6
99.00893	11.6
101.02450	70.9
109.02983	4.1
113.02446	38.6
119.03591	5.7
131.03526	7.3
143.03581	6.8
159.03053	5.3
161.04550	34.0
173.04645	4.7
240.13072	4.4
243.66628	4.6
365.81772	4.2
390.21530	100.0
390.71646	24.5
466.19644	5.3
470.75092	8.0
471.19946	17.4
471.25940	6.1
490.70203	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	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12273	3.6
57.03445	4.3
59.01386	100.0
61.98835	4.6
63.94358	3.7
67.84125	5.0
68.17767	4.0
70.19467	12.5
71.01395	52.8
71.05037	4.4
73.02969	17.7
83.01401	8.4
85.02966	18.5
89.02465	17.3
96.94469	3.9
99.00916	8.8
101.02454	40.9
113.02464	17.2
118.66112	4.4
125.02478	7.2
131.03488	7.7
152.84892	4.0
161.04579	16.2
162.06979	4.4
176.96835	4.7
190.29530	4.7
191.05571	8.9
196.93730	4.1
279.93130	3.8
374.06061	8.5
390.21469	33.4
390.71912	7.0
397.72687	4.3
464.47559	4.9
470.75372	6.9
471.20035	15.6
471.25876	7.1
471.34851	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	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	32.6
58.03796	0.8
59.01385	23.5
59.40028	0.7
61.98828	5.1
69.03500	0.7
71.01383	9.3
71.57114	1.2
73.02940	1.8
77.80705	0.7
78.22956	0.8
81.26077	0.8
83.01378	1.6
85.02959	2.4
87.00868	1.1
89.02457	5.1
91.86292	0.7
93.03461	2.4
95.01437	0.8
95.05049	1.0
96.96024	5.0
99.04530	28.7
101.02454	12.8
106.04244	5.0
108.02174	1.7
113.02468	2.6
117.05638	0.9
119.03510	1.4
119.04957	0.7
121.06615	2.0
123.04459	1.3
125.02465	12.3
128.03552	1.0
135.04539	1.7
136.76801	0.7
142.94284	0.7
143.03503	1.4
143.39192	0.8
149.02470	1.6
149.06114	2.2
161.02478	1.8
161.04564	4.2
164.04764	1.1
165.09221	100.0
166.09581	4.4
166.14311	0.8
173.04570	2.2
179.03558	1.2
187.07645	1.5
191.05640	3.2
195.06822	0.9
203.05623	0.9
208.03723	2.1
209.08253	1.9
213.00232	0.8
223.06155	4.0
223.13399	1.9
231.06662	1.6
235.07585	1.4
253.04860	2.1
257.08292	0.8
291.08789	2.0
311.32123	0.8
327.14178	1.2
427.10220	2.3
435.22296	3.6
436.23221	0.8
445.49323	0.9
471.12894	1.2
471.19070	4.8
471.34964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	32.6
58.03796	0.8
59.01385	23.5
59.40028	0.7
61.98828	5.1
69.03500	0.7
71.01383	9.3
71.57114	1.2
73.02940	1.8
77.80705	0.7
78.22956	0.8
81.26077	0.8
83.01378	1.6
85.02959	2.4
87.00868	1.1
89.02457	5.1
91.86292	0.7
93.03461	2.4
95.01437	0.8
95.05049	1.0
96.96024	5.0
99.04530	28.7
101.02454	12.8
106.04244	5.0
108.02174	1.7
113.02468	2.6
117.05638	0.9
119.03510	1.4
119.04957	0.7
121.06615	2.0
123.04459	1.3
125.02465	12.3
128.03552	1.0
135.04539	1.7
136.76801	0.7
142.94284	0.7
143.03503	1.4
143.39192	0.8
149.02470	1.6
149.06114	2.2
161.02478	1.8
161.04564	4.2
164.04764	1.1
165.09221	100.0
166.09581	4.4
166.14311	0.8
173.04570	2.2
179.03558	1.2
187.07645	1.5
191.05640	3.2
195.06822	0.9
203.05623	0.9
208.03723	2.1
209.08253	1.9
213.00232	0.8
223.06155	4.0
223.13399	1.9
231.06662	1.6
235.07585	1.4
253.04860	2.1
257.08292	0.8
291.08789	2.0
311.32123	0.8
327.14178	1.2
427.10220	2.3
435.22296	3.6
436.23221	0.8
445.49323	0.9
471.12894	1.2
471.19070	4.8
471.34964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50166	6.5
57.03441	6.4
59.01384	100.0
61.98826	13.6
71.01382	45.2
71.55977	12.3
72.08381	6.9
73.02920	13.0
80.14752	6.6
83.01366	10.0
85.02961	23.0
89.02443	13.1
101.02433	29.2
113.02493	11.5
131.03508	9.5
162.49763	6.1
163.03691	6.2
165.09201	9.1
173.04500	8.4
191.05734	9.5
211.26610	6.6
215.19670	7.9
288.99222	7.2
353.54788	8.3
374.06177	7.4
389.72864	58.5
390.21918	10.6
390.71518	15.8
435.22208	11.4
440.24603	8.7
471.20029	30.9
471.26239	11.8
471.34607	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.2
57.03449	8.8
59.01109	7.7
59.01386	100.0
61.98843	8.5
62.93071	5.5
69.29029	39.6
71.01392	68.7
72.99329	7.9
73.02960	29.5
77.73655	5.9
79.46181	4.9
79.78286	4.5
83.01392	12.1
83.05016	4.9
85.02962	31.9
87.00896	8.1
89.02450	23.3
99.00879	8.5
101.02451	59.2
113.02465	19.3
131.03487	10.2
149.04538	7.9
161.04567	11.2
177.01889	5.1
191.05632	9.4
196.07816	4.7
237.23071	5.3
247.62260	5.3
316.17700	5.4
389.20718	8.9
389.70935	53.5
390.21021	11.4
435.22400	24.2
470.73523	83.8
471.19498	7.1
471.24225	22.5
471.34708	13.5
472.35175	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	471.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06463	1.8
57.41661	1.9
59.01384	46.9
59.97893	2.2
61.98822	5.9
69.03461	2.1
69.55267	6.3
69.55675	5.2
71.01382	25.7
72.99280	2.5
73.02946	5.4
78.95934	2.2
81.09012	2.0
83.01369	4.2
83.05011	2.2
85.02953	15.2
87.00876	5.9
89.02463	15.8
95.01395	6.0
96.96002	6.7
97.02956	7.2
98.20763	2.0
99.00884	2.7
101.02449	20.2
102.47765	1.8
105.03519	1.9
107.34164	1.9
108.02177	3.1
109.02916	2.9
111.04517	2.8
113.02456	9.6
114.55036	2.0
116.92862	3.7
119.03487	5.7
121.02960	3.7
121.08805	2.0
123.04519	3.1
125.02497	2.0
131.03481	1.9
133.02977	10.0
133.68349	1.9
134.03761	22.6
135.04512	8.8
137.02438	5.0
139.04047	2.2
145.02985	4.0
147.04536	12.3
148.05324	11.4
149.06110	17.8
150.05965	2.0
161.02441	6.0
161.04630	4.3
162.03159	2.7
162.06868	3.6
163.03998	11.0
163.07660	7.0
164.04788	4.2
164.07970	2.3
165.08174	3.0
172.05240	2.1
173.02441	4.8
173.04758	2.1
173.06134	6.1
174.03201	6.9
175.03975	8.9
176.01080	3.0
176.04910	3.1
177.01944	65.8
178.02716	10.7
179.07092	5.4
188.04688	3.4
189.05611	31.8
190.02798	2.4
190.06371	24.7
191.03546	25.4
191.07135	3.9
193.05084	32.6
195.06674	3.6
203.07190	2.6
204.04256	14.0
204.07635	2.5
205.05057	4.5
205.08731	15.3
207.02858	4.0
207.06633	2.8
215.03481	2.9
216.04227	6.1
219.06644	10.2
219.10155	2.4
229.08893	2.7
231.06680	9.8
232.07356	6.8
234.05278	2.4
237.04091	2.1
245.08138	2.2
247.09781	16.5
249.07706	23.2
250.08348	5.2
265.10544	3.5
265.13144	3.2
273.04019	3.2
291.08893	2.7
309.09839	4.0
335.09766	3.4
355.10205	5.1
395.13477	3.5
411.18652	9.8
412.13763	25.7
413.14322	2.8
427.16052	40.8
471.15497	100.0
471.34543	4.5
472.15552	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	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44873	0.2
67.11871	0.2
69.50847	1.3
77.03977	0.3
81.03461	0.6
89.03970	1.6
95.05037	0.3
96.30672	0.2
105.03469	3.9
105.11369	0.2
116.92863	0.4
133.02966	8.3
134.03320	0.3
143.31294	0.2
146.44556	0.2
149.02419	1.0
176.01189	0.3
177.01941	100.0
178.02280	3.4
411.18970	0.2
471.11395	1.9
472.11621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
66.44860	0.4
71.01379	1.2
71.54053	0.6
72.99291	0.7
73.02954	0.6
75.00885	0.7
78.95911	36.2
83.85911	0.5
85.02971	1.3
89.02441	1.0
89.03985	1.6
96.96067	6.1
96.96971	65.1
101.02460	1.3
105.03484	3.3
113.02444	1.3
116.92851	1.2
129.01953	0.6
133.02977	10.0
134.03802	2.3
135.04533	2.0
136.01631	1.3
149.02435	1.0
149.06108	4.0
151.04005	3.6
156.85808	0.4
176.01161	1.0
177.01944	100.0
178.02293	3.6
179.05623	0.5
191.05606	1.5
211.06070	1.1
275.77621	0.5
297.09833	0.9
333.46072	0.5
372.90973	0.6
373.11453	5.7
471.11362	13.8
472.11658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50130	0.2
51.13152	0.2
59.01366	0.6
67.85261	0.2
69.44955	1.3
71.01385	0.6
71.88690	0.2
77.03976	0.2
81.03461	0.4
82.92197	0.2
89.03988	1.9
96.95994	0.3
101.02446	0.5
103.31588	0.2
104.02700	0.5
105.03472	3.7
109.97733	0.2
116.92924	0.3
133.02966	9.3
148.01697	0.5
149.02512	1.0
168.98688	0.2
176.01192	1.8
177.01938	100.0
178.02289	3.7
237.80931	0.2
267.97244	0.2
279.14578	0.8
411.18790	0.8
471.11447	14.5
472.11826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25011	0.2
56.89946	0.2
60.08900	0.2
60.79174	0.1
65.48275	0.1
69.97487	0.3
69.97868	0.6
81.03460	0.4
89.03969	1.8
95.05016	0.2
104.02699	0.4
105.03471	3.2
109.02964	0.2
118.40410	0.2
133.02963	8.2
148.01680	0.5
149.02412	0.9
162.32910	0.2
176.01207	1.0
177.01935	100.0
178.02271	3.3
219.02953	0.2
234.84552	0.2
290.25824	0.2
290.29071	0.2
421.57635	0.2
471.11441	16.1
472.11880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.56234	0.3
57.21365	0.2
66.58559	0.3
69.46213	1.6
71.05020	0.5
71.86020	0.2
74.30563	0.3
85.06571	0.4
97.06607	1.6
116.11567	0.2
122.86637	0.3
131.38446	0.2
251.67459	0.3
281.01642	0.3
347.13065	0.3
391.30078	1.7
393.31631	2.6
395.33307	0.3
409.31192	0.5
414.39584	0.3
423.32892	4.0
424.33002	0.6
425.30536	0.9
428.09543	0.4
437.30688	5.2
438.31030	0.5
439.32053	1.4
451.32260	0.9
469.33243	100.0
470.33633	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	469.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92637	7.6
57.03446	9.6
58.04576	7.4
59.01390	43.5
61.98829	46.8
69.16789	67.7
71.01384	39.8
71.69824	6.6
72.99286	6.9
73.02940	12.1
75.00863	8.5
78.91888	18.4
82.95377	6.9
85.02964	18.1
89.02461	20.1
93.03476	27.6
101.02437	17.4
113.02434	10.2
119.05033	44.0
127.59821	7.5
134.03755	9.0
135.04623	15.5
161.02505	9.3
161.04524	10.4
163.04042	42.0
173.04555	22.9
173.07126	8.8
174.04976	7.4
177.01793	11.5
179.03526	10.2
184.31807	7.9
191.05594	66.2
192.06070	18.5
193.06053	31.4
199.06419	7.4
261.83981	7.4
279.09702	9.1
293.10254	9.5
307.03577	14.5
432.25128	8.2
433.24442	25.5
451.15042	14.3
469.16672	10.4
469.22330	100.0
470.19339	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	469.3326
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
57.03438	0.5
58.31329	0.4
59.01377	1.2
61.48750	0.5
71.18802	0.9
73.79131	0.4
78.95916	1.6
86.27000	0.5
93.28007	0.4
111.04553	1.0
117.36601	0.5
128.11491	0.5
138.85670	0.5
152.99583	1.7
172.41386	0.5
231.13852	1.4
233.15474	1.2
255.23314	1.6
297.24277	0.6
320.59180	0.5
323.20200	0.6
381.28238	0.4
381.31790	4.3
395.29468	2.8
397.30835	19.0
397.35001	3.3
398.31296	2.0
398.35803	0.7
425.34485	3.7
431.31934	0.9
439.28467	1.1
446.65399	0.5
469.33197	100.0
470.27243	0.9
470.33582	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	469.3325
Annotation	Lantic acid
Peak:m/z	Relative Intensity
57.03452	0.7
59.09582	0.4
70.22577	1.5
72.14310	0.5
83.92870	0.5
88.24173	0.5
98.20026	0.6
116.92909	0.4
123.58138	0.4
128.29434	0.4
129.20712	0.4
153.77986	0.4
250.88373	0.5
289.21695	1.9
393.28104	1.7
407.29373	2.4
409.31229	2.6
423.32724	51.8
424.33032	5.0
425.34283	5.0
430.32288	0.4
434.65598	0.5
469.33252	100.0
470.33636	11.4
494.01764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90017	0.6
59.01389	6.5
60.01735	0.9
61.98837	100.0
64.95224	0.6
66.08120	0.8
70.88540	1.6
71.01413	3.5
71.39800	0.6
78.95908	5.2
85.02979	1.8
87.00886	0.8
89.02473	2.8
93.03471	1.0
96.96024	1.4
99.04501	0.8
101.02488	1.6
110.02444	0.7
113.02484	1.2
119.03518	0.9
126.99624	0.7
134.03783	1.0
138.01999	2.4
148.05298	1.0
163.07710	2.6
173.04590	1.6
180.04478	0.8
189.00606	0.8
191.05650	3.5
201.05681	0.8
221.08205	0.9
245.08228	0.8
263.09238	1.4
270.07556	0.7
289.15475	0.7
432.16019	1.1
468.17514	2.1
469.18179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1152
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
50.59705	0.9
57.03457	1.2
59.01385	7.7
61.98828	2.2
69.42924	5.9
71.01382	4.6
72.99317	2.7
73.02987	1.0
78.20575	0.9
78.56971	0.8
82.24389	0.9
82.41293	1.0
85.02950	2.7
89.02462	2.2
91.05582	0.8
93.03461	6.6
98.19936	1.9
101.02441	2.5
107.05032	1.6
109.02939	5.5
111.00912	4.8
111.04514	1.5
113.02452	1.4
121.02992	5.9
133.02965	18.3
134.03766	29.9
135.04546	100.0
136.04796	3.4
137.02452	22.5
138.02840	1.7
139.04031	7.6
149.02490	1.3
149.04518	0.9
150.03186	2.7
159.04501	2.0
161.02458	30.4
162.02809	1.4
170.93285	0.9
173.04616	5.8
174.04893	1.6
175.05130	1.6
175.07632	2.0
177.01967	1.0
177.05556	6.7
178.02711	21.0
179.03511	78.6
180.03798	2.7
191.05618	3.5
201.05579	3.4
203.03488	1.2
205.05098	1.1
227.07092	2.1
231.10254	1.4
245.08214	9.5
271.06070	2.6
277.09811	1.1
289.07202	74.1
290.07544	5.9
294.10632	1.6
295.10864	2.7
307.08252	7.0
469.11224	25.3
469.22043	2.9
469.32422	1.0
470.11548	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98835	100.0
62.40253	0.5
69.56721	1.0
69.57124	1.7
71.01398	1.8
71.18555	0.5
72.99303	0.6
73.02969	0.6
75.00870	5.1
78.35034	0.4
78.84069	0.5
78.95918	1.2
85.02991	0.8
87.00897	0.8
89.02466	1.3
93.03486	1.1
93.44612	0.4
101.02480	1.3
101.06068	0.6
111.04580	0.6
113.02480	0.9
133.05144	0.9
137.41306	0.6
161.02501	0.6
163.58502	0.5
173.04556	1.9
175.03955	0.6
176.04893	0.5
187.07680	0.6
188.07999	0.6
191.05627	3.6
192.05981	1.9
199.07487	0.5
204.99774	0.8
220.01997	0.9
231.10260	0.9
232.10490	0.8
233.47411	0.5
235.04425	0.8
252.07298	0.5
275.09232	1.5
276.09610	3.5
396.20706	0.6
420.05408	0.5
450.14777	0.8
468.15982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01384	2.9
68.99815	3.7
70.96083	1.2
70.96422	1.9
74.74477	1.0
79.49256	1.0
83.05017	4.9
85.02972	3.6
94.56947	1.0
95.05053	2.0
97.02935	1.1
99.04529	100.0
100.04900	1.2
111.04490	1.8
111.08187	2.0
113.02465	1.4
114.89030	1.0
115.00423	1.3
125.02461	3.6
127.04027	1.4
134.47115	0.9
137.06111	1.8
137.09798	0.9
139.04031	1.1
141.01938	2.1
143.03511	55.1
152.81868	1.0
157.05070	1.5
183.02985	4.1
201.04022	4.4
341.30563	3.2
363.32846	8.5
405.33588	1.7
423.38965	2.3
445.77704	1.1
449.36365	2.3
467.32773	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	468.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98837	100.0
62.65567	0.3
71.01392	1.2
71.55876	0.6
73.02957	0.4
78.95922	1.2
79.42310	0.4
89.02487	1.3
96.96043	1.6
96.96986	1.5
101.02480	0.7
121.03014	0.5
127.04086	0.4
129.22784	0.3
139.04042	3.4
148.05287	0.4
149.04492	0.5
179.03510	0.5
191.05594	0.7
247.77423	0.4
293.08820	1.7
307.08298	0.5
327.06430	0.4
433.13727	1.8
469.11176	0.5
479.51431	0.4
486.36874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12122	1.0
57.03450	11.2
59.01376	3.3
68.99825	4.2
69.03467	1.2
69.54026	7.1
71.01373	1.4
71.05030	19.8
71.33295	0.9
80.93725	0.9
82.80659	0.9
83.05036	1.4
85.02951	3.8
87.00884	3.4
95.05043	2.3
98.03754	1.6
99.04528	100.0
100.04881	2.2
102.75448	1.0
111.08170	13.1
115.00330	1.0
115.97184	1.1
116.92873	1.2
125.02487	1.3
129.05623	1.2
137.06085	1.8
143.03519	8.0
157.05061	2.8
179.93683	0.9
183.03072	1.5
194.13383	0.9
201.04071	3.2
233.84245	0.9
260.86902	1.0
267.26785	1.6
323.29404	1.3
341.30545	2.3
345.31348	1.4
363.32672	14.0
389.30710	2.3
405.33252	1.4
423.34628	2.8
445.54385	1.1
467.33212	19.0
468.34210	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	467.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26203	1.5
55.34082	1.4
56.33010	1.6
57.03446	1.7
59.01387	2.1
65.42554	1.4
69.82314	8.0
71.05028	17.2
78.92013	1.3
83.05037	2.5
85.02985	1.9
99.04533	25.3
111.08170	4.0
125.02464	44.7
127.04060	1.8
137.06177	2.3
143.03505	20.5
192.66788	1.4
198.38342	1.4
217.47945	1.4
267.26950	4.2
281.28513	20.3
310.12610	1.5
323.29535	13.3
341.30609	100.0
342.30960	8.3
355.89154	1.5
373.51163	1.6
423.34137	2.3
423.39087	1.9
467.33029	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	467.3168
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
59.01368	1.7
67.51962	0.9
69.03469	2.1
78.95908	1.7
84.67561	1.1
85.90269	1.0
97.02947	2.6
152.99532	1.5
155.00095	1.3
166.30957	1.0
176.80217	1.0
209.48917	0.9
210.48711	1.0
266.03598	1.1
357.47079	1.1
393.28006	1.7
395.29770	2.0
405.27634	1.3
409.31107	1.9
421.31216	2.9
423.28955	8.8
439.32138	36.5
440.32605	4.6
449.30487	1.5
467.31729	100.0
468.32089	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	467.317
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
57.03500	0.9
57.33254	0.4
59.01432	1.2
59.35165	0.4
61.98890	0.4
66.84534	0.4
69.35460	1.5
69.35888	2.4
85.06641	0.6
98.19993	0.8
101.09095	0.5
128.68163	0.5
137.55008	0.4
191.05743	0.5
287.20261	2.2
363.50473	0.5
391.26468	6.1
392.26733	0.8
405.28094	2.5
405.33215	0.6
407.29541	3.6
408.29541	0.6
421.31146	69.9
422.31430	9.8
423.32718	3.2
449.32632	0.6
467.31677	100.0
468.31989	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	467.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03444	2.2
59.01387	57.1
60.01711	0.8
60.99313	0.7
61.98826	2.8
67.01891	4.1
68.46402	0.8
69.03466	1.9
69.38988	1.5
69.39402	4.4
71.01389	33.7
72.99310	1.4
73.02953	15.6
75.00886	5.1
78.95892	1.2
81.03446	1.7
83.01402	10.3
83.05034	1.7
85.02964	20.8
87.00892	5.3
89.02460	4.8
93.02868	1.3
93.03468	25.7
95.01402	2.5
97.02961	1.2
98.20572	1.8
99.00887	4.9
99.04524	0.9
101.02457	34.6
108.02140	1.0
109.02970	2.0
111.00907	1.2
111.04500	4.4
113.02457	13.6
119.03548	1.0
125.02410	1.9
127.04012	1.9
129.01944	1.7
133.03047	0.7
134.03732	3.0
136.01669	4.5
137.02493	2.0
143.03522	1.6
148.05223	0.9
152.01204	1.3
155.03508	2.7
158.03740	2.3
159.02998	3.4
159.04530	3.8
161.04564	13.4
163.06192	1.0
167.03490	2.1
172.05331	1.4
173.03125	1.6
173.04584	23.9
173.06047	2.3
174.06863	2.2
175.07669	1.6
176.04807	1.9
177.09253	0.9
187.04031	1.4
187.07663	12.0
191.05630	84.7
192.05984	3.4
198.07204	0.8
201.05502	0.8
202.06383	4.0
203.10791	4.3
205.08698	1.3
213.09198	2.8
228.04236	1.1
231.06624	1.0
231.10271	11.3
232.10612	0.9
233.08295	0.9
249.11188	1.6
257.08215	9.2
261.13449	59.8
262.13754	2.6
275.09274	27.6
276.09601	1.4
293.10333	9.8
294.10660	1.4
407.19229	100.0
408.19562	9.2
432.20715	0.8
449.14542	18.8
450.14941	2.5
467.15375	12.6
467.28574	2.8
468.15894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	1.8
59.01385	89.1
67.01889	4.3
69.03457	2.8
69.38258	7.5
69.38691	7.1
71.01383	27.8
72.99319	2.7
73.02959	23.2
74.58961	1.9
81.03498	3.1
83.01418	3.3
85.02956	20.8
87.00884	13.8
87.04562	3.0
88.16525	1.7
89.02457	27.5
93.03469	38.2
94.03780	2.5
95.01357	1.8
97.02995	1.9
99.04523	2.4
101.02450	40.3
103.04008	15.2
107.62519	1.8
109.02977	16.1
111.04539	6.4
113.02476	6.8
115.04031	5.3
119.03553	10.3
125.02484	3.0
127.04062	4.4
129.01961	2.8
131.03502	6.9
133.02994	2.7
134.03758	39.6
135.04527	8.7
136.01680	16.7
137.02461	15.2
143.03465	11.8
145.05069	5.1
151.04034	5.9
155.03540	4.6
163.06140	61.2
169.51167	1.8
173.04549	49.1
174.06821	2.9
177.01932	3.0
178.02731	9.4
179.05591	3.3
187.07645	4.3
191.05634	100.0
195.03047	3.6
202.06319	3.0
203.10823	2.1
205.07161	21.4
213.09351	3.1
231.10361	9.4
233.06337	2.1
233.08391	2.9
243.71332	1.8
252.59015	1.8
257.08102	11.0
261.13309	3.0
265.09296	4.6
275.09232	12.0
293.10349	59.3
294.10632	2.8
299.98944	2.1
302.03387	4.3
303.03491	2.6
304.04120	3.3
407.19342	25.0
408.19641	3.6
449.14511	14.7
467.09680	6.2
467.15582	21.8
467.21890	3.1
467.28638	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	467.118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.2
68.75629	0.3
69.51570	2.3
78.95911	51.8
85.02935	0.4
96.96071	7.8
96.96968	100.0
112.57212	0.4
174.13467	0.3
191.05588	0.8
207.05075	3.3
243.20865	0.3
243.80650	0.3
271.28162	0.3
283.17310	0.3
319.84320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	1.8
59.01385	89.1
67.01889	4.3
69.03457	2.8
69.38258	7.5
69.38691	7.1
71.01383	27.8
72.99319	2.7
73.02959	23.2
74.58961	1.9
81.03498	3.1
83.01418	3.3
85.02956	20.8
87.00884	13.8
87.04562	3.0
88.16525	1.7
89.02457	27.5
93.03469	38.2
94.03780	2.5
95.01357	1.8
97.02995	1.9
99.04523	2.4
101.02450	40.3
103.04008	15.2
107.62519	1.8
109.02977	16.1
111.04539	6.4
113.02476	6.8
115.04031	5.3
119.03553	10.3
125.02484	3.0
127.04062	4.4
129.01961	2.8
131.03502	6.9
133.02994	2.7
134.03758	39.6
135.04527	8.7
136.01680	16.7
137.02461	15.2
143.03465	11.8
145.05069	5.1
151.04034	5.9
155.03540	4.6
163.06140	61.2
169.51167	1.8
173.04549	49.1
174.06821	2.9
177.01932	3.0
178.02731	9.4
179.05591	3.3
187.07645	4.3
191.05634	100.0
195.03047	3.6
202.06319	3.0
203.10823	2.1
205.07161	21.4
213.09351	3.1
231.10361	9.4
233.06337	2.1
233.08391	2.9
243.71332	1.8
252.59015	1.8
257.08102	11.0
261.13309	3.0
265.09296	4.6
275.09232	12.0
293.10349	59.3
294.10632	2.8
299.98944	2.1
302.03387	4.3
303.03491	2.6
304.04120	3.3
407.19342	25.0
408.19641	3.6
449.14511	14.7
467.09680	6.2
467.15582	21.8
467.21890	3.1
467.28638	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	467.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
61.98837	2.2
69.34863	1.7
69.35284	1.4
71.01403	1.7
72.26167	0.3
72.99284	0.5
73.50358	0.3
75.00876	0.6
78.95919	1.1
83.40077	0.3
85.02975	0.7
89.02444	1.4
93.03482	0.7
96.96013	2.1
101.02480	0.7
109.02952	0.6
115.00457	0.4
115.92110	0.4
134.26532	0.4
136.01715	0.9
137.02458	100.0
138.02785	2.5
140.34494	0.4
146.72292	0.3
149.02400	0.4
153.05521	0.5
164.04805	0.7
171.16402	0.3
173.04530	0.5
180.07933	0.3
191.05681	1.8
207.05089	0.6
208.03828	0.6
218.97804	0.4
223.06097	1.9
233.34123	0.4
269.09897	0.4
293.08920	0.6
322.62659	0.4
431.11923	8.4
432.12354	1.0
467.04001	0.4
467.16086	0.6
467.21765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29418	0.3
56.80002	0.4
59.01377	1.6
61.98835	100.0
71.01393	0.8
75.35535	0.4
78.95921	1.4
86.45464	0.3
87.00893	0.4
89.02441	0.5
96.96031	2.6
96.96987	1.3
101.02486	0.6
110.02518	0.4
140.07153	0.6
162.81847	0.4
166.05151	0.6
191.05663	1.1
192.05962	0.5
207.05136	5.8
241.64508	0.4
306.80823	0.4
340.07114	0.4
369.08438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02491	0.4
59.01385	10.8
60.01714	0.9
61.98836	100.0
68.41100	0.4
69.03461	0.6
70.30560	0.9
70.30956	0.5
71.01393	2.6
78.95911	5.5
85.02974	1.1
87.00886	0.6
89.02438	3.1
93.03481	0.8
95.01429	0.4
96.96022	3.9
96.96974	1.6
101.02453	2.0
108.04584	0.5
110.67600	0.4
113.02478	1.4
119.03527	0.9
135.04501	0.4
136.04039	0.4
137.02467	0.7
149.02483	0.4
159.04477	0.5
161.04613	0.8
173.04575	1.2
179.05655	0.4
191.05605	3.2
192.01294	0.4
192.06036	0.4
208.03844	0.4
221.70096	0.4
223.06180	1.2
231.10181	0.4
235.63544	0.3
237.05586	0.4
248.03955	0.6
256.29541	0.3
292.02847	0.5
329.91956	0.4
406.21378	0.6
431.15869	1.0
466.15680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03436	5.7
59.01384	100.0
61.98838	23.2
69.03477	2.5
69.44784	14.5
71.01013	3.8
71.01386	52.8
71.05017	4.4
72.99303	2.8
73.02950	18.7
75.00845	2.1
78.95916	14.6
80.91680	2.3
83.01397	8.5
85.02956	20.3
87.00893	3.9
89.02456	28.7
95.01408	4.0
96.96027	28.9
96.96976	26.3
97.02943	4.4
98.03730	4.4
99.00867	5.7
99.04552	2.5
101.02447	40.0
103.04037	4.1
109.06570	5.4
113.02460	16.6
115.04030	3.1
118.10839	1.7
119.03532	11.5
125.02412	3.9
127.07688	2.7
131.03477	2.4
135.04538	21.8
141.05545	2.3
143.03438	2.5
149.09700	1.9
159.03036	3.8
161.04587	21.0
167.10818	8.9
179.05602	6.0
181.12392	1.9
191.05652	12.5
225.14952	2.7
241.14441	15.7
259.05746	3.4
259.08243	40.9
260.08389	2.5
260.68982	1.8
285.13461	31.6
293.08740	4.7
303.09045	2.1
303.12286	3.7
375.06998	6.6
405.13977	62.0
405.21182	19.3
406.14420	7.2
465.13043	3.2
465.19400	20.4
466.20059	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91072	1.1
57.03448	5.2
59.01385	100.0
59.02951	0.8
60.01702	1.1
60.88620	0.9
62.32206	0.9
69.45791	0.8
69.83485	2.0
69.83876	2.1
71.01008	1.5
71.01388	20.1
85.02960	5.3
86.91984	1.1
87.00880	1.6
89.02453	36.7
92.11501	1.1
95.01406	1.4
96.96036	2.0
96.96991	1.3
99.87813	0.9
101.02451	12.2
112.05299	1.0
113.02456	8.7
119.03515	15.7
120.40546	1.0
128.64639	1.0
131.03539	1.4
134.07417	0.9
137.09706	1.6
143.03523	4.0
149.09726	20.6
150.10115	1.2
161.04565	4.7
167.09351	2.0
167.10788	39.3
168.11105	1.7
168.72530	0.9
179.05605	12.4
194.35126	1.1
225.14975	8.0
234.09700	0.9
405.21320	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3795
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
52.40277	0.3
59.01406	0.3
66.28488	0.3
69.81863	1.4
71.01393	0.4
96.96043	0.4
107.05076	0.9
109.02998	0.8
109.06600	0.3
120.05827	2.5
122.03732	0.4
123.08194	1.7
124.01720	0.8
125.02481	0.5
125.06094	3.5
135.04630	0.4
135.08177	16.6
136.08562	0.5
137.02444	1.5
137.06107	2.6
138.06860	0.4
151.07736	1.0
153.09305	0.8
165.05586	1.0
167.05164	0.3
170.05853	1.6
177.09265	0.4
267.26999	0.3
333.49582	0.3
401.34305	0.3
403.36011	2.1
404.36554	0.4
405.33990	0.7
421.37216	25.6
422.37582	3.0
463.38232	100.0
464.38589	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	464.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
59.01385	10.1
61.98837	100.0
68.04581	0.5
69.41311	3.2
71.01393	5.0
73.02962	0.9
78.95930	2.8
82.78581	0.4
85.02959	1.6
85.95821	0.5
87.00905	0.6
89.02447	4.3
93.03476	0.6
94.06626	0.6
96.96043	0.5
96.96971	0.5
101.02480	2.2
101.03035	0.4
103.04317	0.6
104.05075	10.1
104.47501	0.4
108.02197	2.0
109.02980	2.9
113.02458	1.5
119.03508	1.3
120.04591	2.6
121.89873	0.4
122.06094	2.3
123.74007	0.5
127.07641	0.4
135.04521	5.4
143.03543	0.6
148.04063	30.4
149.04413	1.0
149.09734	1.8
161.04475	0.5
162.59413	0.5
166.05101	50.0
167.05426	2.3
167.10811	3.1
173.04575	0.5
179.05579	0.8
190.04994	0.5
191.05624	2.6
192.03072	4.6
210.04091	30.4
211.04407	1.1
225.15041	0.5
258.14542	0.4
293.09103	0.5
333.15637	0.6
348.21933	0.4
354.08282	0.8
405.21402	2.7
429.13959	1.7
446.11011	1.5
464.11984	14.7
465.13690	0.8
465.19843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
60.93044	0.8
69.41439	6.5
79.95754	1.5
94.04254	2.4
97.06596	1.7
107.05045	1.8
107.08671	4.5
109.06591	5.6
118.96727	0.8
123.04559	1.8
127.09785	0.8
135.04550	1.0
151.07632	3.7
153.05623	7.3
231.97124	0.9
235.10045	1.0
267.26935	1.9
386.58875	1.0
401.34116	0.9
419.35327	100.0
420.35672	10.9
463.34348	10.7
464.34732	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	463.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
64.22881	0.9
68.12634	0.8
69.32196	0.8
69.39660	2.4
69.40075	5.5
75.73116	0.9
79.95737	1.4
80.45264	0.8
94.04263	3.0
97.06595	1.5
98.20644	2.0
105.01784	0.9
107.05096	1.0
107.08698	4.8
109.06590	6.9
123.04552	2.0
151.07687	4.8
153.05602	8.9
168.81812	1.0
235.10205	1.2
267.26953	1.0
314.34369	0.9
334.29324	0.9
375.36386	1.1
419.35321	100.0
420.35678	10.9
463.34125	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	463.3433
Annotation	7-Oxatyphasterol
Peak:m/z	Relative Intensity
57.03429	3.0
59.01397	2.2
69.03484	1.5
79.05536	7.2
80.08183	1.5
82.38031	1.5
86.51031	1.7
96.95975	1.6
97.06614	3.6
107.05063	3.0
107.08678	8.9
109.06590	13.6
123.04550	2.9
123.08160	1.8
135.04616	2.0
140.04790	4.7
141.05583	6.4
149.09682	2.1
151.07634	4.5
153.05563	4.6
253.15048	1.6
267.26917	18.7
268.27310	1.9
358.40182	1.5
359.33224	3.3
401.33859	2.4
419.10223	1.7
419.35300	100.0
420.35693	10.6
463.34271	68.9
464.34778	9.7
469.11349	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03447	2.5
57.22270	0.6
58.00592	0.8
58.86300	0.5
59.01385	21.2
65.97132	0.6
66.71140	0.7
66.93043	0.5
69.03462	1.9
69.47522	2.2
69.47954	2.2
71.01387	48.0
71.37914	0.6
72.99313	1.1
73.02952	19.5
75.00879	1.8
81.03465	0.7
83.01399	7.1
83.05017	0.9
85.02958	21.1
87.00887	2.8
89.02454	11.5
95.01398	4.2
95.63038	0.6
97.02955	2.4
99.00887	11.7
99.04517	0.7
101.02452	35.4
102.02790	0.6
113.02464	17.4
115.03998	2.8
119.03519	0.9
125.02448	4.3
129.01991	0.8
131.03537	1.6
143.03500	2.7
149.04561	2.4
154.77957	0.6
156.81906	0.6
159.03038	4.0
161.04573	25.7
162.04814	0.7
169.12288	0.6
191.05663	1.5
209.11852	17.5
209.13806	1.0
227.12891	2.3
233.06644	3.3
253.09288	2.3
254.03069	0.6
270.61386	0.7
271.02567	1.6
293.08789	0.8
300.02811	1.5
301.03400	1.1
331.17639	32.0
332.18143	1.7
463.21872	100.0
464.16284	0.9
464.22229	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	463.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
57.03463	4.4
58.00593	1.7
59.01384	53.2
60.01727	0.9
61.98829	1.9
64.09479	0.6
69.03461	1.8
69.41397	1.3
69.41798	3.3
71.01389	37.2
71.05023	4.0
71.96430	0.7
72.01726	0.8
72.09345	0.7
72.97550	1.1
72.99316	2.8
73.02952	9.5
75.00887	0.9
83.01394	5.3
85.02962	14.1
86.00130	1.3
87.00877	3.1
89.02450	24.6
93.03489	1.4
95.00870	0.7
95.01357	2.9
95.05033	0.7
96.01748	0.7
96.12876	0.6
97.02948	0.6
97.06618	1.9
99.00900	2.4
99.04565	0.9
99.08177	0.8
101.02450	28.0
102.02810	1.0
103.04022	0.9
104.93002	0.6
107.01433	1.1
108.02192	0.8
111.00893	1.3
113.02461	13.5
115.07684	3.2
119.03510	7.6
125.09686	0.7
129.09251	2.5
131.03525	6.7
134.03783	1.8
134.06068	0.7
135.04541	0.7
139.11310	0.8
143.03470	1.4
149.04576	1.7
149.06059	1.6
151.00394	5.1
155.03462	0.7
157.12335	1.4
159.02939	1.1
161.02536	0.8
161.04562	3.3
173.04533	3.2
179.05609	1.7
191.01408	0.7
191.05621	5.8
209.11940	1.3
237.18576	0.9
255.02896	0.9
271.02527	1.6
283.16028	0.9
283.19080	3.2
289.20343	1.2
297.20676	0.7
300.02856	3.0
301.03711	1.7
301.07141	10.8
301.10458	1.0
301.20227	26.7
302.07495	0.9
302.20493	1.7
302.63339	0.7
302.95154	0.6
331.17746	1.2
369.21017	0.8
369.27844	1.0
373.21527	0.8
381.71182	2.8
382.21725	7.3
382.72150	1.2
383.20279	0.8
390.21765	2.9
425.34613	1.1
445.24414	6.6
454.24045	1.0
462.74176	2.0
463.25522	100.0
463.74503	5.4
464.25848	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.6
57.03452	5.5
58.00602	3.5
59.01386	67.4
67.01874	0.5
69.03449	2.4
70.03427	0.5
71.01389	100.0
72.01727	1.4
72.99321	3.7
73.02954	26.0
75.00890	1.2
76.12385	0.4
81.03500	1.0
83.01393	12.5
85.02959	33.8
86.00116	0.5
86.03329	0.5
87.00898	4.4
89.02454	51.9
90.02760	0.6
92.93770	0.5
93.03464	0.5
95.01401	5.0
97.02956	4.8
97.72681	0.5
99.00880	9.7
99.04509	0.6
101.02454	61.7
102.02795	1.0
104.11730	0.4
111.00907	4.5
113.02462	31.1
115.04018	1.4
119.03512	3.1
125.02457	7.2
129.01927	1.7
131.03516	30.9
132.03888	0.9
139.03938	0.8
141.01901	0.5
143.03506	5.5
146.22249	0.5
149.04565	15.9
159.03023	5.2
161.04570	39.9
162.04829	1.2
173.04564	1.1
177.01852	0.5
178.23903	0.5
189.87625	0.4
191.05609	4.1
205.03563	0.8
209.11755	2.1
215.05624	1.4
228.53130	0.5
229.12364	0.6
233.06694	4.9
263.12808	1.2
265.52979	0.5
271.02591	0.9
293.08926	2.9
300.02713	1.3
301.03513	0.9
313.16629	0.9
331.17636	37.5
332.17996	2.9
338.08765	0.4
349.58987	0.5
463.21863	97.6
464.22189	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83827	0.3
55.01886	4.5
57.03451	3.3
57.27607	0.3
58.00599	0.8
59.01385	22.5
69.03455	1.3
69.28860	2.3
69.29283	0.7
70.28698	0.4
71.01390	55.1
71.05054	0.5
72.01721	0.9
72.99312	1.3
73.02955	24.0
75.00878	1.5
81.03481	0.9
83.01394	8.7
85.02956	23.6
86.00098	0.5
86.03328	0.3
87.00883	2.5
89.02451	11.1
92.06083	0.3
95.01401	4.0
97.02961	2.9
98.40734	0.4
99.00888	10.9
99.04501	0.7
101.02451	42.1
102.02837	0.6
107.29736	0.3
111.00899	1.2
113.02460	21.8
115.04032	2.2
119.03506	0.6
125.02449	4.5
127.04009	0.4
129.01962	1.1
131.03514	2.8
143.03499	2.7
149.04581	2.2
151.00386	1.1
159.03012	4.3
161.04567	27.6
162.04918	0.9
169.12402	0.7
173.99059	0.3
186.77730	0.3
191.05670	1.1
215.05666	0.4
227.03581	0.4
227.73741	0.4
233.06699	3.2
243.02936	1.0
255.02942	2.1
271.02475	4.4
293.08792	1.4
300.02765	8.5
301.03375	3.5
331.17636	36.0
332.18030	2.1
381.35663	0.4
451.18860	0.5
463.08853	5.8
463.21878	100.0
463.88562	0.4
464.09079	0.7
464.22195	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
57.03453	5.6
58.00596	3.1
59.01384	58.6
60.01720	0.5
68.99816	0.6
69.03457	2.8
69.21017	1.5
69.21438	3.1
71.01386	82.5
71.78463	0.4
72.01738	1.3
72.99319	3.5
73.02951	22.3
74.58376	0.4
75.00871	1.1
75.03229	0.4
81.03482	1.3
83.01397	11.4
83.74552	0.5
84.02164	0.5
85.02957	31.9
86.00111	0.5
87.00882	4.0
87.04522	0.5
89.02452	43.2
95.01400	4.5
97.02960	4.6
99.00882	8.3
99.04534	0.7
99.33008	0.5
101.02450	55.1
101.90478	0.4
102.02786	0.5
106.89704	0.4
109.02960	0.5
110.45895	0.5
111.00891	8.8
113.02458	25.0
114.02790	0.8
115.04031	2.3
117.01797	0.4
119.03503	2.0
125.02436	6.4
127.04044	0.5
129.01950	1.6
131.03513	20.7
139.04068	0.6
143.03500	4.9
149.04559	14.5
155.03537	0.6
159.02988	3.7
161.04565	23.3
162.04897	0.5
167.96669	0.4
169.12379	0.7
173.04570	0.9
186.59361	0.5
187.06123	0.4
191.05629	3.8
203.05586	0.5
205.03383	0.6
215.05612	1.2
233.06673	6.5
236.05351	0.5
246.48149	0.5
257.13104	0.5
293.08768	3.8
313.16461	2.2
331.17636	36.9
332.17929	2.3
398.57056	0.6
463.21860	100.0
464.22144	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03448	3.6
58.00601	4.0
59.01382	95.9
60.01705	0.5
61.98841	1.8
69.03465	1.7
69.57349	2.2
71.01385	76.9
72.01738	1.1
72.99309	5.3
73.02951	14.1
75.00866	1.2
81.03460	0.7
82.07538	0.3
83.01389	5.8
84.02158	0.4
85.02953	16.4
86.00094	0.9
87.00879	7.7
89.02449	100.0
89.82042	0.3
90.02795	1.2
93.03468	0.5
95.01401	2.1
97.02943	2.4
99.00887	4.5
101.02448	58.9
102.02789	1.0
108.02200	1.0
109.02959	1.2
111.00883	3.2
113.02455	17.7
114.02757	0.6
115.03986	1.2
119.02662	0.7
119.03500	12.8
119.04899	0.6
125.02467	3.5
127.03974	0.3
129.01923	0.8
131.03508	44.6
132.03868	1.0
143.03497	3.1
147.04469	0.8
149.04561	74.4
150.04910	2.0
161.04573	4.4
163.03996	0.5
173.04576	0.6
179.05635	4.2
191.03590	1.8
191.05617	22.7
191.25476	0.3
192.05896	0.8
209.04462	0.5
209.11761	0.6
213.09227	0.4
217.32719	0.3
233.06773	1.7
251.07735	1.5
258.11285	0.5
293.08688	1.4
300.02713	0.6
310.90543	0.3
311.09750	0.7
331.17682	4.2
403.23456	0.6
463.12534	3.6
463.21817	19.0
464.22131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03452	4.9
59.01382	83.8
60.01720	1.6
61.98817	2.7
65.75088	1.1
69.03462	14.9
69.94678	3.1
69.95074	2.7
71.01385	19.8
72.69985	1.2
73.02950	7.5
78.95911	3.0
80.85930	1.1
83.05031	3.5
85.02959	7.0
87.04514	2.6
89.02464	11.5
96.96978	7.3
98.20635	2.2
99.00900	1.2
101.02465	10.2
113.02458	7.4
117.86799	1.2
119.03516	4.1
128.51746	1.2
138.06847	8.2
143.03442	1.4
148.29430	1.1
153.09219	21.1
157.16771	1.1
159.03012	2.4
161.04575	13.4
163.11287	1.9
179.05609	3.9
205.12395	4.0
223.13402	5.0
227.31125	1.2
234.46939	1.2
239.12863	1.2
241.14453	100.0
242.14813	3.6
263.79489	1.3
403.19772	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	463.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36970	0.5
55.01872	2.3
57.03449	2.4
57.25307	0.6
58.00605	1.4
59.01385	50.0
61.98833	1.4
69.03468	1.4
71.01390	29.9
71.01785	1.4
71.05013	1.4
71.56969	0.9
72.01707	0.9
72.99316	2.8
73.02950	10.2
74.75455	0.6
78.95899	2.6
83.01402	6.2
83.05038	1.7
85.02962	15.4
86.00102	0.9
87.00893	2.4
89.02457	7.1
93.03468	1.2
95.01392	1.8
96.96011	1.4
96.96968	1.6
97.02941	1.0
99.00883	4.4
101.02454	20.9
108.02181	13.1
113.02461	9.9
119.03537	1.5
120.08154	0.7
121.02962	0.9
122.03724	1.2
123.04560	1.9
124.01659	0.7
125.02453	3.4
129.01939	1.0
131.03511	4.6
133.03009	0.7
134.03763	77.8
135.04138	2.6
136.01683	34.2
136.07521	0.7
137.02272	1.2
139.04036	1.2
143.03520	1.1
149.02489	7.6
149.06105	62.6
150.03264	10.5
150.06425	2.7
151.04031	100.0
152.04323	3.6
159.03018	2.0
161.04593	6.3
165.05594	52.0
166.05927	2.4
173.04474	1.3
177.05533	1.0
191.05634	2.6
214.03227	0.7
215.05579	4.0
241.01276	0.7
269.08221	0.8
275.07657	0.9
278.17136	0.6
283.19150	1.0
289.16699	1.7
300.02570	1.0
301.10834	61.8
302.11203	6.0
309.18906	5.8
331.18143	0.7
373.21216	1.8
373.71643	1.0
382.21793	34.7
382.72028	9.0
383.22266	1.3
390.21790	0.7
403.19800	2.2
420.19632	0.8
421.20215	0.8
425.73712	1.0
454.24017	1.1
462.68073	2.0
462.74252	0.7
463.09024	1.2
463.24731	27.4
463.32257	1.9
463.74686	8.7
464.25189	2.4
464.39026	0.7
469.33719	0.6
487.34555	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23527	0.3
55.59621	0.3
57.03452	0.9
58.00595	0.4
59.01112	0.5
59.01387	8.3
63.02397	3.2
65.00335	6.0
69.50064	3.0
71.01388	4.4
72.99310	0.9
73.02942	1.9
78.32191	0.3
80.02673	0.4
83.01392	4.5
84.87382	0.3
85.02972	1.8
85.68018	0.3
86.00130	0.4
87.04559	0.4
89.02466	1.8
93.03467	0.7
101.02460	2.8
107.01396	11.0
108.02199	5.9
112.56760	0.4
113.02445	1.2
119.03497	0.5
123.04537	3.3
125.02496	0.7
128.19452	0.4
131.01430	0.4
131.03519	0.7
134.03760	21.3
135.00806	0.5
136.01660	3.0
137.02393	0.5
149.02606	0.5
149.06085	13.9
150.06427	0.8
151.00380	42.4
152.00786	1.5
164.01163	6.3
165.01944	2.0
165.31129	0.4
169.01408	1.4
174.03238	0.6
175.00397	1.4
175.03990	0.8
177.01947	5.0
191.05620	0.8
193.01462	0.7
196.00157	2.3
199.04099	0.6
201.01912	1.1
207.13931	0.5
242.05899	0.8
253.10017	0.4
255.03003	0.7
257.04782	0.4
257.08322	0.7
269.32339	0.4
271.02554	0.8
283.15567	1.9
285.04120	1.0
286.04926	2.0
300.02756	1.3
301.07187	100.0
301.20221	1.2
302.07565	7.8
325.07135	0.9
343.08044	1.1
373.21378	0.6
382.21759	1.2
390.21454	1.1
445.24850	0.7
454.23877	0.8
454.74008	0.4
463.12735	8.7
463.25357	8.3
463.74579	1.5
464.12854	0.9
464.25497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49148	0.5
51.66951	0.5
55.01878	1.6
55.74697	0.6
57.03452	2.4
58.00592	3.6
59.01385	90.4
60.01698	0.8
61.98832	1.4
66.33374	0.5
69.03459	1.0
69.52114	1.3
69.52524	3.3
71.01388	70.5
72.01732	1.0
72.97536	1.5
72.99316	19.5
73.02952	12.8
75.00883	1.7
81.03479	1.0
83.01395	3.0
85.02960	12.7
86.00124	1.2
87.00891	7.7
89.02452	100.0
90.02811	0.8
95.01416	2.3
97.02975	1.3
99.00865	3.2
101.02454	46.3
103.05567	0.5
108.02181	15.8
109.02968	16.0
111.00905	0.6
111.50182	0.6
113.02454	14.4
114.02786	0.6
119.03510	7.9
119.05013	5.5
121.03044	0.7
123.00889	1.4
125.02467	3.1
129.01918	0.8
131.03517	36.9
132.03845	0.8
135.04547	1.1
137.02534	0.6
143.03497	2.1
147.04530	19.5
148.04889	0.7
149.04568	66.3
150.04849	1.3
159.03014	0.7
161.04575	5.2
163.04008	6.7
177.01913	0.9
177.05576	1.6
179.05615	2.1
191.03523	32.7
191.05614	19.8
191.07216	0.6
192.03844	1.5
193.05135	1.4
205.05075	3.6
207.06548	0.8
209.04555	7.2
219.06549	1.0
233.04529	4.9
233.06633	1.2
238.79488	0.6
247.06120	1.4
251.05518	1.7
251.07852	0.9
275.05438	1.0
293.06580	0.7
331.17618	4.8
353.08823	1.4
394.56644	0.6
445.11343	1.9
463.12476	77.8
463.21594	12.4
464.12778	8.7
464.22278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39336	2.9
59.01382	6.4
61.98815	2.8
69.36195	11.5
69.36626	12.3
74.02458	3.1
85.02940	3.2
94.71738	3.0
99.04546	3.0
105.07077	4.9
121.06580	6.6
123.04597	5.2
133.06592	11.4
136.05315	59.6
137.06085	4.0
149.06131	5.3
150.06883	54.3
151.04024	4.0
151.07669	25.3
161.06070	25.0
162.06949	7.0
163.07594	5.7
164.04839	13.1
165.05630	6.3
177.05653	6.9
177.09238	6.2
179.07182	58.2
202.10074	12.6
428.33188	13.5
443.35294	82.9
444.35641	13.8
461.36578	100.0
462.36911	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	461.364
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.50471	0.3
54.35419	0.3
56.70407	0.3
57.03449	0.3
59.01397	0.7
59.05099	0.2
69.31683	2.6
71.05047	0.4
97.06616	0.5
109.64855	0.4
125.02448	0.3
125.09753	0.7
145.11745	0.3
156.05110	0.3
219.17625	0.8
265.18182	0.4
267.19836	0.5
385.58633	0.3
397.34787	4.3
398.35181	0.7
415.35941	0.4
417.33972	0.6
419.31769	0.5
443.35999	0.7
461.36563	100.0
462.36914	14.4
462.43686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44947	0.7
56.19545	0.7
59.01389	8.5
63.18618	0.8
71.01393	14.2
73.02942	4.7
83.01383	3.1
85.02953	5.7
89.02451	3.8
95.01404	1.2
97.02950	1.0
99.00885	3.0
101.02463	10.3
107.01400	2.7
108.02165	1.8
109.02930	1.6
113.02433	5.6
114.49001	0.8
121.02955	1.9
125.02411	1.6
131.03473	1.2
135.00928	1.1
148.01683	1.1
151.00391	11.9
159.03043	0.9
161.04591	6.5
162.91376	0.9
163.00386	2.6
178.48276	0.8
178.99910	6.0
184.61508	0.8
199.03941	1.6
211.03938	1.2
215.03523	1.0
226.02832	1.6
227.03464	4.7
243.02989	12.7
244.03383	0.9
245.04498	1.7
254.02188	2.6
255.03003	29.3
256.03403	2.3
257.63879	0.9
271.02481	63.1
272.02921	4.6
273.04016	1.0
283.02551	1.9
299.02112	1.1
300.02759	100.0
301.03488	52.8
302.03876	3.4
331.17694	8.9
463.08856	65.7
463.21841	25.2
464.09097	6.1
464.22568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3653
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.02369	1.1
51.33521	0.8
59.01364	1.6
61.98851	0.9
65.43688	1.0
65.99193	1.0
83.01384	2.2
85.02966	2.0
98.20656	2.8
99.04516	3.2
102.93660	1.0
105.07121	5.2
107.05035	14.2
108.05380	5.5
111.08153	1.1
117.09675	1.2
121.06618	9.6
122.03760	1.0
123.04533	7.1
133.06599	12.9
135.04521	3.1
136.05315	65.9
137.06006	5.6
146.03650	1.3
149.06084	5.8
150.06882	63.7
151.07678	22.7
152.22900	1.0
161.06087	29.4
162.06551	1.6
163.07669	32.4
163.11307	29.6
164.04802	13.7
164.11629	28.9
165.05591	10.0
165.11929	9.1
173.06070	3.6
174.06844	1.7
177.05569	4.7
179.07149	54.0
180.07420	2.7
186.06783	1.7
187.07648	1.7
188.08432	1.6
195.09898	1.1
198.90915	1.0
201.09204	2.1
202.10011	10.2
216.11520	1.1
218.86371	1.1
221.62979	1.1
283.17017	4.2
284.17389	7.5
285.17618	6.6
295.17032	1.3
296.17316	4.1
297.17624	3.0
415.32147	1.7
428.33017	19.6
429.33270	1.3
443.35345	100.0
444.35678	9.8
459.35025	2.1
461.29633	59.6
461.36334	92.9
462.30023	3.7
462.36649	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	461.364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65125	0.8
68.41312	0.6
69.32512	5.5
73.90365	0.7
80.97888	0.7
83.67729	0.6
99.97675	0.7
118.47279	0.7
149.09741	0.8
152.99669	0.7
162.06882	100.0
163.07257	5.7
176.08423	6.6
177.09224	86.8
178.09573	4.0
179.78062	0.9
417.33630	1.2
425.36646	1.8
431.06580	0.7
431.31610	0.8
443.35571	1.0
461.36624	35.3
462.37051	5.2
479.37885	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	461.3277
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
51.25453	1.0
53.56462	0.6
57.03460	0.9
59.01383	3.3
61.98831	0.9
63.96724	0.6
66.96421	0.6
67.92520	0.5
71.01394	0.8
71.05019	6.3
72.99314	0.6
73.02944	0.6
78.95926	0.6
96.96037	1.8
106.43327	0.5
111.08115	0.6
125.09751	0.8
125.32465	0.6
137.09683	0.6
160.84209	1.5
190.86015	0.7
229.42839	0.7
260.18018	0.6
281.05145	0.6
291.23190	1.9
341.24701	2.0
355.26291	0.9
357.27957	4.7
359.29544	15.8
360.29980	0.9
373.27261	0.8
381.27734	0.6
387.32761	0.7
399.28845	8.1
400.29221	0.7
403.28470	1.7
413.30630	1.6
417.34302	4.0
425.15396	1.3
443.28064	1.9
461.33228	100.0
462.33606	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	461.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.2
67.40845	0.2
69.30757	1.5
93.78951	0.2
98.19844	0.4
99.04514	0.3
111.04523	0.2
120.46307	0.2
121.06636	0.3
133.06575	0.2
134.03754	0.2
135.08170	0.5
137.06000	0.2
148.05307	0.2
149.06122	0.5
149.09735	0.8
150.06908	0.5
158.80061	0.2
159.08133	0.5
161.06107	0.4
162.06876	100.0
163.07217	3.7
169.44499	0.2
176.08435	5.9
176.09911	0.4
177.09218	79.3
178.09560	3.6
191.07234	0.2
228.96545	0.2
294.04663	0.2
314.91638	0.2
339.35144	0.2
425.36533	0.5
428.33179	0.9
443.35397	1.0
446.34149	0.3
461.36462	16.5
462.36829	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	461.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90253	1.8
70.77389	3.5
83.31763	2.1
84.90432	1.5
105.07135	10.2
107.04301	3.4
107.05039	68.1
108.05370	4.1
117.54414	1.5
121.02914	2.0
121.06588	1.8
123.04529	12.6
131.48592	1.9
132.89799	1.7
140.50484	1.6
149.06061	6.0
151.04024	100.0
151.07611	8.8
152.04305	2.1
281.33966	1.6
373.34619	4.6
417.33737	76.4
418.34137	8.6
419.35217	4.0
461.31998	37.9
462.33057	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	461.3276
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
57.03452	1.2
57.78163	0.7
59.01382	3.1
71.55379	1.0
96.96005	1.0
207.10391	0.8
383.29834	3.0
397.31503	0.9
399.32764	24.5
399.37781	1.2
400.33167	3.6
417.33981	8.3
418.34155	1.1
443.32236	5.8
444.32016	1.1
461.32932	100.0
462.33371	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	461.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51992	0.6
57.03458	0.9
59.01379	1.3
78.95897	1.0
96.96045	1.0
123.67302	0.6
152.40103	0.6
152.99597	2.4
201.22758	0.6
212.02647	0.6
339.26956	0.6
343.25729	0.5
373.70480	0.6
381.27753	1.5
383.29620	3.1
397.31180	1.0
399.32703	34.3
400.32983	3.5
417.33844	17.7
418.34201	2.4
431.31479	1.0
443.31830	3.7
461.32718	100.0
462.33078	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	461.3277
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
57.03459	0.6
59.01375	1.0
61.98820	0.8
71.55688	0.8
85.02964	0.7
134.92430	0.6
139.07648	1.0
156.64192	0.6
168.43784	0.7
193.12338	3.5
195.13873	1.5
265.18118	1.4
267.19595	0.7
297.24258	1.4
340.60638	0.6
401.30811	1.3
417.29126	0.7
417.33844	5.6
418.34158	1.3
443.31580	1.9
461.32684	100.0
462.33099	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	461.3278
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.71176	0.5
55.01865	2.0
57.03436	0.8
57.30291	0.5
59.01375	1.7
59.43452	0.4
67.17832	0.4
71.01389	0.5
71.05038	0.5
71.10793	1.1
78.95889	0.5
81.03481	0.5
96.96020	4.4
110.73925	0.5
152.99574	1.4
162.45203	0.6
210.21793	0.6
224.77560	0.5
257.34552	0.5
305.44568	0.6
381.28052	0.6
383.29730	1.5
385.31238	0.9
396.08551	0.5
397.31418	0.6
399.32922	3.4
417.33801	26.0
418.34113	3.6
443.31805	13.1
444.32022	1.4
461.32770	100.0
462.33096	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.51516	13.4
71.01381	12.7
73.02972	4.0
81.07643	1.9
85.02962	5.0
89.02454	5.6
94.50447	2.1
98.94608	2.4
99.00909	2.7
99.04552	2.3
101.02442	9.2
113.02469	5.2
128.21844	2.1
130.33644	1.9
130.43716	1.9
151.07553	2.3
162.28368	1.7
168.41135	1.8
171.10249	4.2
197.38666	2.0
207.10263	5.8
281.17667	5.1
375.23914	5.7
461.07001	2.9
461.23975	7.1
462.24084	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	461.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03456	1.1
60.19719	0.9
69.76478	4.6
77.03973	1.3
90.52354	0.9
95.75791	0.8
96.96002	1.4
98.20682	0.9
105.07111	7.3
106.07442	1.0
107.05036	67.1
108.05341	2.0
121.02930	2.4
121.06541	1.4
122.03657	1.2
123.04544	10.8
149.06078	2.7
151.04018	100.0
152.04329	2.6
191.76105	0.9
193.08647	1.9
250.39227	0.8
267.26947	2.0
362.98260	0.9
373.34705	5.2
417.33752	69.7
418.34192	6.8
461.32587	43.3
462.32968	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	461.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95569	0.5
55.01883	1.6
57.03447	2.8
58.00603	4.8
59.01384	100.0
60.01728	1.4
61.98844	1.8
69.03468	2.1
71.01389	59.9
71.05028	1.7
72.99311	7.4
73.02953	30.1
75.00880	1.1
81.03469	1.0
83.01392	6.6
85.02957	20.3
85.12488	0.4
86.00103	2.8
87.00883	11.5
87.01390	0.9
87.04523	4.3
89.02453	54.0
90.02811	0.7
95.01415	2.0
96.96038	1.0
97.02978	2.2
99.00925	1.5
99.04549	1.4
101.02452	63.0
102.02819	1.2
103.04025	23.2
113.02456	11.3
115.04025	4.6
119.02664	1.2
119.03516	22.6
125.02460	6.4
126.61312	0.5
127.03973	2.8
131.03514	14.5
131.04488	0.9
133.05116	0.5
143.03516	19.1
145.05087	7.4
145.06131	0.6
149.04549	2.6
161.04585	2.3
163.06140	49.4
164.06499	1.5
167.10794	8.2
179.05626	3.0
191.05627	1.2
205.07187	38.4
206.07567	1.5
229.07861	0.5
248.36378	0.5
255.11514	0.9
256.38110	0.6
265.09457	1.3
293.08887	1.4
299.02396	0.5
381.21140	2.1
461.24307	2.0
461.30853	0.5
462.23752	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	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03458	3.4
59.01387	36.4
63.11822	2.0
63.49405	1.9
69.51104	3.1
69.51510	12.5
71.01389	49.6
73.02963	17.9
77.60722	2.2
83.01391	9.4
85.02959	25.3
87.00917	2.9
89.02463	6.5
95.01373	6.5
97.03008	2.4
98.20641	4.1
99.00897	6.2
101.02451	46.1
111.01001	2.4
113.02454	27.0
140.32500	2.1
143.03447	3.7
159.03032	5.3
161.04570	24.0
185.90900	2.2
191.05724	2.1
269.10330	100.0
270.10681	4.5
401.14563	62.6
402.14694	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
61.98846	0.4
70.85966	0.4
71.01396	3.0
71.55750	0.4
72.99301	2.1
73.02947	1.2
75.00878	100.0
76.01215	0.9
83.01386	0.7
85.02952	1.2
89.02472	2.7
92.53882	0.3
101.02431	1.4
109.06647	0.5
111.00867	0.5
113.02435	0.7
119.03427	0.6
121.03021	0.4
123.00906	0.6
149.04599	0.7
152.01166	1.1
161.04549	0.5
167.03497	15.2
173.04543	0.7
187.06342	0.4
191.05644	1.0
217.07484	0.6
225.07727	0.7
225.11220	0.5
249.06592	0.6
289.90305	0.4
339.13437	1.2
357.14835	0.6
384.24899	0.4
415.16217	0.4
443.14645	0.7
461.14499	1.5
461.20972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11029	2.1
54.12777	2.2
57.03446	5.7
58.00576	3.2
59.01385	100.0
59.22211	2.5
69.43121	6.0
69.43535	12.5
71.01387	56.7
72.18895	2.3
72.99342	3.7
73.02973	2.5
78.95897	4.4
80.93331	2.7
83.01422	2.9
85.02951	13.2
87.00890	7.7
87.57461	2.3
89.02453	81.0
95.01400	4.2
96.96018	9.4
96.96986	6.3
97.02946	2.6
99.00912	3.0
101.02462	37.6
113.02453	29.7
119.03519	35.1
131.03513	3.0
137.02383	3.0
143.03558	6.4
151.07701	3.2
152.08507	3.5
153.09232	20.0
161.04559	14.1
165.09268	3.7
167.07195	4.1
179.05612	20.5
179.10686	3.1
203.10831	5.2
206.09494	7.9
206.17906	2.6
213.67738	2.7
221.11823	25.0
239.12793	13.6
299.11261	3.1
362.75629	2.8
369.96149	3.0
387.35822	2.7
401.18161	20.1
461.17105	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	461.1304
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
59.01390	4.0
61.98837	1.0
65.49783	0.4
69.88266	1.1
69.88684	1.4
71.01373	2.4
78.95898	2.3
81.03458	1.1
87.00834	0.5
89.02453	2.8
93.03471	2.1
95.01409	0.7
95.05038	3.0
96.96025	4.3
96.96944	3.1
98.20692	0.5
101.02432	1.3
108.02192	0.9
109.02975	2.9
113.02477	1.0
119.03506	0.7
121.02982	1.9
122.03754	1.4
123.04538	33.0
124.04878	1.0
125.02454	0.5
137.02448	2.0
137.06140	0.5
139.04007	3.8
149.02437	4.1
156.71683	0.5
161.04555	0.5
166.02716	1.2
166.05080	1.0
167.03508	100.0
168.03854	3.7
354.21857	0.5
461.13040	36.8
461.19473	1.3
462.13354	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	461.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.7
59.01387	58.1
59.44072	0.9
60.76293	1.0
61.39624	0.9
61.98837	2.0
63.71203	0.9
67.51366	0.9
69.03471	7.0
71.01388	69.7
71.55211	1.5
72.99323	3.0
73.02956	9.7
75.00880	3.1
78.95911	8.3
81.03467	5.0
83.01383	6.2
85.02958	9.2
87.00878	2.4
89.02456	67.8
90.81081	1.0
95.01411	1.8
96.96030	7.2
96.96966	12.3
97.02954	10.1
98.19958	1.2
99.00888	15.3
99.04533	2.1
101.02462	12.9
108.02149	1.5
109.02957	3.4
111.00896	1.5
113.02453	7.8
115.04034	9.2
119.03494	2.6
122.03735	8.7
123.04523	10.3
125.02464	32.9
126.02715	1.1
127.04052	3.2
131.03526	7.6
135.04457	1.2
137.02428	3.1
143.03506	3.7
147.21074	1.1
149.04550	9.4
157.68225	1.1
161.04573	3.5
165.05586	3.5
167.03514	2.4
167.07161	1.8
179.05679	1.6
191.05641	5.0
233.06662	26.0
239.51669	1.2
293.08798	25.7
341.10846	4.3
405.39703	1.1
417.14105	2.4
461.13043	100.0
462.13483	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	461.073
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
57.03423	1.0
59.01384	21.1
61.98844	6.0
65.00339	1.2
69.18873	6.3
69.19283	1.8
71.01385	9.5
73.02955	1.2
82.86653	0.8
85.02958	2.4
87.00918	0.8
89.02457	6.1
93.03475	1.1
94.25980	0.9
95.01395	1.4
99.04548	1.9
99.79481	0.8
101.02446	4.0
107.01352	0.9
108.02210	1.1
109.06617	1.0
111.04485	1.1
113.02460	3.0
118.01974	0.8
119.03500	3.1
121.53058	0.8
125.45509	0.8
131.03548	0.9
133.03036	0.9
145.02934	1.2
151.00404	4.3
154.82629	0.8
158.03766	3.5
161.02477	3.6
161.04562	1.8
161.13374	2.1
163.04137	0.9
171.04575	0.9
173.04541	2.0
174.03375	1.0
175.04071	1.2
178.99864	2.3
185.02444	1.0
186.03255	6.2
189.01924	3.0
191.05598	1.3
198.03253	1.5
199.03998	2.3
201.02066	1.8
203.03520	1.5
205.12378	1.9
207.10345	2.8
214.02699	12.8
215.03387	1.6
216.00676	2.5
217.01424	1.6
218.02217	1.8
225.11288	1.7
227.03474	2.8
237.15031	2.7
241.01434	68.6
242.02130	23.7
243.03009	6.4
245.00905	35.6
246.01245	1.5
252.62495	1.0
270.01697	68.7
271.02451	45.9
272.02930	2.8
273.00394	1.7
281.13971	10.4
281.17157	1.8
282.01590	1.5
283.02484	1.4
285.04227	1.1
287.18604	1.6
298.01208	31.3
299.01971	55.6
300.02368	3.3
341.03101	1.2
433.07764	6.9
461.07288	100.0
462.07550	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	459.3487
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
54.27304	0.6
59.01375	2.6
61.98822	0.9
65.72715	0.7
76.69910	0.6
97.06580	1.0
98.20694	1.7
156.11703	0.7
203.59279	0.7
239.57358	0.8
397.31052	2.3
399.32422	1.3
413.30432	1.4
415.31839	3.0
422.63910	0.7
441.34082	0.7
442.36871	0.8
459.35300	100.0
460.35812	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	461.0728
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
59.01378	7.2
61.98845	0.9
71.01385	4.0
71.07305	0.9
73.02965	1.5
83.01397	1.5
85.02970	1.7
89.02445	3.7
91.45679	0.9
93.03471	1.7
95.01433	1.0
98.20670	3.1
101.02451	2.9
107.01405	2.6
110.55699	1.0
113.02445	1.8
118.66566	0.9
119.20275	0.8
131.03465	1.2
133.02971	2.7
145.03026	0.9
149.04564	1.2
151.00389	5.0
158.03712	3.4
161.02443	5.7
169.01463	1.3
171.04510	2.2
172.01640	1.0
173.02386	1.9
173.04602	1.6
177.01822	1.0
178.99867	3.1
186.03264	7.6
189.02003	1.8
191.05589	1.8
198.03215	2.0
199.04044	2.3
201.01900	2.2
214.02730	10.3
215.03447	1.5
216.00706	2.9
217.01462	2.2
218.02203	1.5
227.03520	2.7
241.01434	66.9
242.02148	24.3
243.02829	6.1
245.00925	31.9
245.03433	2.0
246.01213	1.2
255.02965	1.1
263.15872	1.0
270.01697	71.3
271.02469	45.0
272.02817	1.2
273.00348	1.2
274.01221	1.0
282.01694	2.3
283.02631	1.2
297.03629	1.3
298.01230	31.0
299.01956	59.6
300.02356	3.4
311.01831	1.6
341.02979	1.6
373.88263	1.0
425.20120	1.6
433.07645	5.5
461.07272	100.0
462.07483	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	459.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54353	0.3
57.03453	0.7
59.01385	0.8
68.37083	0.3
69.53092	2.2
73.85751	0.3
80.36160	0.3
83.65749	0.3
88.71801	0.3
97.06595	0.6
136.12215	0.4
228.32878	0.3
246.39429	0.3
267.64240	0.3
397.31027	0.7
413.34268	6.2
414.34491	0.5
415.36319	2.2
457.33286	1.0
459.34891	100.0
460.35220	12.4
465.88916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3488
Annotation	Topsentisterol C2
Peak:m/z	Relative Intensity
59.01373	2.0
71.01377	0.8
71.05025	0.8
81.85585	0.6
133.84737	0.6
155.16348	0.5
229.50003	0.7
249.35028	0.7
369.27469	0.7
381.27872	0.8
397.31039	2.4
398.59286	0.6
399.32657	1.9
411.33017	0.7
413.30222	1.5
415.32669	3.6
441.29672	1.5
459.35452	100.0
460.35880	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	459.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09195	0.2
59.01387	1.8
59.01642	0.3
60.54803	0.3
61.98858	0.3
69.63475	1.2
69.63889	0.6
73.02938	0.5
78.16505	0.2
84.03619	0.2
90.36989	0.3
96.96002	0.3
98.19901	0.5
102.29430	0.3
112.83158	0.3
115.25545	0.3
251.16768	0.4
304.50385	0.3
315.82999	0.3
332.79691	0.3
381.78748	0.3
395.29449	0.3
411.32690	4.6
412.33002	0.6
413.34265	17.5
414.34576	2.1
441.33661	0.5
457.33627	0.4
459.34863	100.0
460.35205	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3484
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
57.03444	0.2
59.01370	0.6
65.27978	0.2
72.99296	0.3
87.52402	0.2
98.20655	0.5
107.92731	0.2
116.79180	0.2
148.66803	0.2
206.08722	0.2
270.83487	0.2
280.31100	0.2
397.31058	0.3
409.30957	0.3
411.32736	7.0
412.32916	0.9
413.34265	15.9
414.34631	1.9
416.31830	0.2
441.33841	0.4
457.33243	0.4
459.34854	100.0
460.35190	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
59.01374	2.7
59.46270	0.6
69.74932	0.7
71.05021	1.9
76.03023	0.6
97.47252	0.7
98.20663	1.7
99.00887	0.8
99.04545	1.0
108.94897	0.7
123.08154	0.7
127.30508	0.7
139.33575	0.7
166.26868	0.7
174.60846	0.7
199.55159	0.7
230.11794	0.8
343.26355	4.1
353.28519	3.0
359.29636	1.6
371.29572	1.4
393.28128	0.9
395.29623	2.5
397.31326	6.5
404.48352	0.7
413.30563	4.1
415.32233	100.0
416.32495	12.6
441.30060	1.7
459.30563	96.5
460.30826	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	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01373	1.5
61.98851	0.4
62.72756	0.5
63.46252	0.4
64.41954	0.4
67.02698	0.4
67.65159	0.4
69.18974	1.2
69.19371	3.1
71.05017	0.4
98.11021	0.4
98.20688	0.8
99.04519	0.6
123.08173	0.5
124.01688	1.1
198.77055	0.4
353.28604	0.8
359.29614	0.5
367.30038	0.9
395.29495	0.4
397.31219	1.6
413.30777	0.7
415.32217	46.5
416.32574	5.5
441.30167	1.2
459.31195	100.0
460.31522	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	459.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01397	1.1
60.99311	0.5
61.36722	0.5
64.57966	0.4
69.20619	0.4
71.01448	1.5
71.05017	0.5
78.99833	0.5
93.18765	0.5
97.06562	0.6
99.37653	0.5
109.28468	0.5
110.17507	0.5
121.03101	0.5
126.37507	0.5
139.11304	0.5
160.84302	1.7
230.61024	0.5
379.30511	0.6
381.28012	1.2
383.29953	1.4
395.33475	2.5
397.31128	2.7
399.32733	10.0
400.33142	0.9
415.35883	25.7
416.36115	3.2
424.09116	0.9
431.31628	3.6
441.33746	5.0
459.34995	100.0
460.35336	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60883	0.4
50.61121	0.3
55.01883	0.5
57.03455	0.6
59.01387	100.0
60.01746	0.8
71.01389	8.5
72.99326	0.5
73.02956	2.3
83.01405	1.5
85.02961	3.3
87.00878	0.7
87.04564	0.7
89.02458	3.2
95.01417	0.9
98.19886	1.0
99.00903	1.2
101.02452	6.9
101.06071	1.8
107.25600	0.4
109.88437	0.4
113.02457	4.1
113.03160	0.4
119.03541	1.4
125.02446	0.5
133.73335	0.4
143.03571	0.7
149.04546	0.4
161.04573	3.0
179.05664	0.4
233.62750	0.4
255.19719	1.0
261.69559	0.4
297.20850	1.4
348.20737	0.4
381.23169	0.5
399.23898	5.5
417.25027	6.0
418.25482	0.7
423.22675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2757
Annotation	Spongianolide A
Peak:m/z	Relative Intensity
56.07924	0.5
57.03439	0.7
59.01372	2.2
63.34199	0.5
66.98126	0.5
71.05025	1.2
71.55657	1.0
75.00879	0.6
83.04997	0.5
96.95982	0.7
97.06605	0.6
121.02945	0.7
125.09733	0.6
155.10909	0.6
189.12915	0.9
291.23322	0.6
307.24072	0.7
325.21732	1.1
327.23468	2.8
331.06219	0.6
339.23257	1.3
353.24869	12.3
354.25159	1.1
355.26434	100.0
356.26706	11.1
359.29919	0.6
369.28030	1.0
371.29550	29.0
372.30051	3.7
381.28064	0.7
395.29733	0.7
397.26843	0.9
397.31119	1.7
399.25171	1.1
415.28439	13.5
416.28754	1.7
441.30338	1.2
459.26993	78.4
460.27347	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	459.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47282	0.3
57.03441	0.5
57.33704	0.2
59.01384	73.8
60.01720	1.0
61.01813	0.3
61.98840	0.9
65.00328	0.5
69.34083	2.3
71.01389	5.3
72.99307	0.3
73.02951	1.5
78.95910	0.4
83.01405	1.1
85.02958	3.4
87.00870	0.3
87.04530	0.8
89.02451	1.7
95.01394	0.5
96.96024	0.4
96.96957	0.6
97.02966	0.4
98.19757	0.5
99.00896	0.9
99.04523	0.4
101.02452	2.9
102.99628	0.3
103.05571	0.5
105.03439	0.5
107.01427	0.6
113.02460	5.5
119.03529	0.3
119.05065	0.8
123.04527	1.2
135.04509	0.5
143.03479	0.5
147.04533	4.2
149.02478	1.9
151.00372	4.1
161.04561	2.3
173.04564	0.4
175.36856	0.3
182.26682	0.3
190.02676	2.1
191.03511	100.0
192.03859	4.7
216.59686	0.3
233.04546	0.6
297.07687	45.3
298.08105	3.1
399.19217	0.4
399.23923	4.7
400.24191	0.4
417.25076	1.7
454.89780	0.3
459.12943	8.7
459.22952	0.7
460.13211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14842	0.5
57.03447	1.2
59.01385	100.0
60.01717	1.0
69.25974	4.9
71.01390	14.4
72.99349	0.7
73.02947	5.3
83.01407	1.9
85.02958	5.5
87.00888	1.1
87.04524	1.1
89.02452	5.5
95.01427	1.4
97.03015	0.7
99.00913	1.8
101.02445	9.9
107.28810	0.5
111.00888	1.2
113.02454	6.3
119.03524	2.1
125.02432	0.9
136.95195	0.5
137.97816	0.5
137.99135	0.5
143.03532	1.2
159.03093	0.6
161.04543	4.5
170.53259	0.5
179.05576	0.6
183.13844	0.5
191.05669	0.5
240.17555	0.5
255.19766	0.9
311.18784	0.7
328.40735	0.5
329.19720	0.9
381.23251	0.7
399.23859	13.3
399.28741	0.9
400.24313	1.6
417.24930	12.0
417.29968	0.9
418.25778	0.8
423.22574	1.7
459.21869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00567	0.9
59.01386	100.0
70.14871	2.4
70.15274	1.6
71.01382	11.6
73.02953	3.6
83.01325	1.3
84.62659	0.9
85.02943	3.2
89.02451	5.4
93.03468	1.2
99.00909	1.2
99.04523	1.2
101.02454	5.4
113.02457	4.5
115.00704	1.1
119.03519	1.2
121.05420	0.9
129.09235	1.1
161.04553	5.0
166.05075	1.9
173.04552	4.8
177.01941	9.6
179.05615	1.2
180.02533	1.3
191.05649	1.4
248.08971	0.9
279.16046	6.1
323.09399	2.2
338.11652	1.8
340.37973	1.0
369.13434	1.5
373.22195	5.5
374.22845	1.2
459.09213	1.3
459.22604	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03433	1.7
58.00604	3.2
58.80143	0.7
59.01386	71.9
60.01736	0.8
61.98825	1.0
62.13776	0.6
65.29212	0.6
69.03467	7.5
69.74397	0.9
69.74815	2.4
71.01389	73.2
72.99320	3.3
73.02950	10.7
75.00866	3.5
79.05519	0.7
81.03455	4.4
81.82791	0.6
83.01404	4.8
83.81932	0.7
85.02955	9.0
87.00883	2.3
89.02453	100.0
90.02792	1.3
93.03481	1.4
95.01392	2.4
95.05028	1.1
96.96034	1.1
97.02972	11.9
99.00896	17.4
99.04489	1.5
101.02446	16.2
106.04264	4.4
107.01361	0.8
108.02164	1.2
109.02992	0.7
111.00883	1.9
113.02448	7.3
114.40195	0.8
115.04034	6.7
118.98105	1.4
119.03516	2.5
121.06590	2.0
125.02460	44.9
126.02869	0.9
127.04025	1.9
131.03519	10.6
133.02943	2.5
134.03737	1.0
135.04547	12.8
136.04965	0.8
143.03481	5.2
149.04567	15.1
161.02473	7.3
161.04568	2.8
165.09219	41.1
166.09526	1.7
173.04608	2.4
179.03519	8.7
191.05638	11.2
198.40628	0.7
233.06686	38.3
234.07135	1.4
235.08528	0.7
285.13486	1.5
293.08801	45.4
294.09119	1.8
392.89966	0.6
459.14304	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	459.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71225	3.0
59.01387	100.0
66.40343	3.1
71.01385	19.7
73.02948	10.6
73.89144	3.5
81.65269	2.9
83.01371	4.6
84.26563	3.9
85.02956	7.1
85.96913	3.3
89.02462	8.9
101.02440	15.5
113.02454	12.0
122.03779	4.7
128.92111	3.4
161.04547	6.4
191.05556	4.1
220.79608	3.2
229.63846	4.1
287.59415	3.4
291.18115	5.4
399.23865	5.3
417.25079	7.1
423.22137	19.0
459.20227	21.0
459.29272	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	459.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20930	1.7
57.03452	3.1
59.01386	100.0
60.01707	2.3
61.98846	3.5
63.11362	2.1
67.23359	1.8
67.96338	2.0
71.01384	16.0
71.19138	1.9
73.02932	3.9
75.94599	2.2
76.21606	2.1
83.01423	3.5
85.02962	7.5
87.00878	3.3
89.02471	12.7
93.03465	12.0
101.02451	11.5
113.02463	7.4
119.03526	4.4
121.02954	2.4
122.20437	2.0
134.03761	3.1
135.04553	2.5
136.70642	2.0
137.02464	15.2
144.78165	2.3
161.02431	2.3
161.04572	4.6
162.03235	36.5
173.04643	5.3
177.05585	41.8
178.05992	3.4
185.35571	1.9
191.05702	5.0
217.16087	3.6
251.16537	3.2
274.34741	2.0
278.68097	2.0
279.16132	4.0
281.06641	13.2
285.17001	2.5
394.48038	2.2
399.24146	3.3
459.12848	4.1
459.22354	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34460	0.5
57.03450	1.0
59.01385	22.8
61.98851	0.6
69.51501	4.6
71.01388	8.3
72.99328	0.7
73.02941	2.1
73.64509	0.7
85.02964	2.4
87.00881	5.6
87.04533	0.9
89.02454	21.2
93.03467	2.9
96.96025	0.7
97.02929	0.7
99.00923	1.2
99.04538	1.6
100.17280	0.6
101.02448	2.8
106.31654	0.5
109.02959	6.3
109.06623	4.3
113.02454	1.6
119.05047	3.8
121.02976	6.0
122.03772	0.8
133.05092	42.4
134.05457	0.9
135.04550	8.0
137.06104	32.9
138.06409	1.1
165.05556	0.7
165.08180	0.6
165.09251	5.6
166.05109	0.9
171.73238	0.7
173.04558	3.6
181.05093	100.0
182.05507	3.6
191.05678	5.6
214.94325	0.6
219.14160	0.7
223.06181	2.4
247.06023	0.7
285.17062	2.3
325.09283	10.2
326.09390	1.3
327.14542	3.4
339.79568	0.7
343.10349	29.0
344.10715	2.1
415.12274	5.8
459.19516	7.7
460.19659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
55.01886	1.6
57.03450	1.0
58.00601	3.0
59.01384	69.6
69.03464	7.7
69.68378	2.5
69.68793	1.6
71.01387	68.1
72.01741	0.8
72.99311	2.5
73.02957	11.2
73.54851	0.8
75.00879	2.6
79.01915	1.4
81.03447	4.6
81.91631	0.7
83.01391	4.4
85.02951	6.9
87.00881	2.1
89.02452	100.0
90.02806	1.1
93.03507	1.4
95.01396	2.2
95.05037	1.0
97.02947	11.4
99.00894	16.5
99.04531	1.7
100.77488	0.7
101.02462	14.8
102.02882	0.9
106.04263	4.4
107.01399	0.9
111.00887	2.1
113.02453	7.0
115.04027	7.3
119.03508	1.9
121.06633	1.6
123.04548	0.8
125.02461	44.1
126.02824	0.9
127.04031	1.0
131.03511	9.9
133.01474	0.8
135.04527	2.1
143.03519	4.1
149.04567	14.7
161.02480	0.9
161.04550	2.4
165.09222	38.6
166.09543	2.1
173.04643	1.2
179.03474	1.1
191.05646	9.1
233.06682	35.9
234.07106	1.7
293.08817	40.5
294.09113	2.0
300.08173	0.7
349.84464	0.7
438.36560	0.7
459.19025	1.0
478.37210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
50.16415	1.0
55.01875	3.0
57.03447	2.2
57.96934	1.2
59.01385	39.5
61.98827	2.5
69.03446	1.8
69.32857	5.5
69.33288	4.5
71.01382	27.5
72.99310	1.8
73.02955	10.2
81.03498	1.2
83.01386	5.7
85.02964	14.6
87.00886	7.9
87.04543	1.7
89.02449	28.0
93.03462	5.0
95.01418	1.5
97.02952	1.7
98.20646	2.3
99.00896	4.6
99.04522	1.9
101.02446	19.8
106.04240	1.3
109.02939	5.3
109.05470	1.2
109.06602	4.2
111.00828	1.3
111.04545	1.4
113.02444	7.0
115.03998	1.2
119.03512	2.0
119.05061	4.2
121.02951	3.6
125.02446	2.5
131.77428	1.1
133.05081	44.3
134.31879	1.1
134.45364	1.2
135.04541	9.5
137.02338	1.0
137.06102	30.4
161.04639	1.7
165.09218	49.1
165.99644	1.4
166.09608	1.9
173.04575	5.9
181.05080	94.6
182.05382	3.5
191.05615	11.4
221.47542	1.1
223.06166	1.3
285.17126	3.4
307.43216	1.2
325.09201	9.9
327.14502	35.0
328.14819	2.3
343.10315	33.2
344.10629	1.7
401.69214	1.2
415.12122	5.6
459.18777	100.0
460.19131	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	457.3689
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
55.55256	0.2
58.17589	0.2
58.51373	0.2
59.01368	0.2
59.29392	0.2
97.65394	0.2
98.19883	0.5
103.03986	0.2
133.83736	0.2
138.68579	0.2
138.82074	0.2
202.68930	0.2
203.12482	0.2
371.31091	0.3
425.30573	0.4
448.36996	0.3
457.36923	100.0
458.37271	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	458.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23817	0.3
59.01382	2.6
61.98834	100.0
69.50722	1.9
69.75305	0.4
71.01417	0.5
74.81409	0.4
85.02939	0.4
89.02458	0.4
93.03474	0.5
135.03017	0.4
136.63330	0.4
167.28552	0.4
173.04576	0.5
177.02010	1.3
222.14928	0.3
369.13055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01387	3.2
61.44284	0.8
62.35668	0.8
69.23650	7.0
69.24065	1.5
71.01388	3.4
72.06682	0.9
73.02952	42.3
73.03362	2.1
76.39066	0.9
78.95914	5.4
79.40704	0.9
82.83790	0.8
84.85520	0.7
85.02975	1.0
88.98802	1.2
89.02462	3.6
96.96013	3.0
96.96964	4.5
99.00883	6.1
99.85673	1.1
99.92565	1.1
101.02456	2.3
113.02458	1.0
116.92874	11.3
117.01951	100.0
118.02277	1.6
132.14145	0.9
135.04536	1.0
161.04616	1.4
179.05553	1.0
234.25294	1.1
323.09909	1.1
323.13309	1.6
459.18240	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	457.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06590	0.4
57.03444	0.6
59.01387	2.5
69.11161	0.4
71.05031	0.4
72.99309	0.9
80.03731	0.4
98.19866	1.1
110.47352	0.4
115.07674	0.7
125.09707	1.0
139.33693	0.4
147.70872	0.4
223.20644	0.6
228.97485	0.4
238.63423	0.4
249.18494	1.0
255.19644	0.9
266.15359	0.7
269.21194	1.0
281.21323	0.6
283.22900	0.9
285.20789	3.4
297.24445	1.1
299.22278	2.3
311.21820	0.5
313.23923	3.4
314.24518	0.5
325.23788	0.5
375.28931	1.9
411.32724	0.7
413.34360	1.3
421.32947	0.8
439.32690	1.6
457.37509	100.0
458.37756	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	457.369
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
59.01381	0.6
70.62440	0.5
71.05039	0.3
86.68864	0.2
89.02454	2.5
100.49503	0.2
130.38631	0.2
186.94458	0.2
267.26923	0.4
281.28519	0.2
369.30069	0.6
413.34778	0.2
457.36938	100.0
458.37283	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03441	1.7
58.27850	0.4
59.01368	0.6
69.03450	1.3
70.99169	0.8
132.59381	0.3
138.14241	0.3
216.16782	0.4
341.43262	0.4
356.67789	0.4
413.34692	2.6
414.34912	0.6
457.33295	100.0
458.33572	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	457.3327
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01379	0.6
70.01189	1.3
94.62629	0.2
98.20567	0.4
102.10088	0.3
125.82230	0.3
157.94150	0.3
233.74747	0.3
263.97702	0.3
366.91525	0.3
409.31079	0.3
439.32245	0.5
453.40555	0.3
457.33258	100.0
458.33560	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	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
56.70625	0.2
57.03460	0.5
59.01385	1.1
59.40156	0.2
60.99311	0.2
63.40207	0.2
70.95602	0.3
76.72742	0.3
83.05027	0.3
88.22601	0.3
104.36797	0.2
125.09717	1.6
147.87727	0.2
172.50516	0.2
187.09796	0.7
216.42200	0.2
217.00365	0.3
251.23273	0.2
287.22324	0.7
357.27988	0.3
373.27448	0.3
391.30130	1.1
393.31723	1.8
394.31610	0.3
395.29599	0.9
413.30325	0.6
425.31226	0.3
437.30484	0.3
439.32431	2.2
457.33331	100.0
458.33676	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91677	0.4
57.03463	0.7
59.01385	100.0
60.01714	1.1
69.52567	0.9
69.52973	2.5
71.01388	12.3
72.01748	0.8
73.02961	3.7
83.01419	1.6
85.02962	5.7
87.00885	0.6
89.02474	1.7
93.03477	0.6
95.01405	0.7
98.19902	0.8
99.00912	1.3
101.02451	7.8
102.02803	0.5
103.02936	0.6
103.04070	0.4
113.02446	4.3
119.03536	0.6
131.03558	0.5
134.28448	0.4
135.04529	0.7
135.10773	0.4
137.02469	0.5
143.03477	0.5
159.03087	0.8
161.04568	8.0
162.04936	0.5
166.26112	0.5
173.04649	0.6
191.05640	2.0
206.08899	0.5
217.16147	0.5
235.17110	0.7
276.55365	0.4
332.69400	0.4
374.72394	0.8
375.22504	1.3
375.72537	2.8
376.22736	0.8
397.22290	4.9
415.23746	0.9
456.75259	3.2
457.15192	0.5
457.24539	2.4
476.67471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	6.3
59.01374	5.3
67.91476	0.8
69.03450	1.1
69.16559	1.8
69.16969	6.7
71.01372	1.1
71.05016	2.4
72.75052	0.7
76.64938	0.8
81.03442	1.4
83.05030	9.3
85.03016	0.9
97.02916	0.9
97.06575	2.6
98.19944	1.6
109.06601	3.5
111.08167	53.0
112.08532	0.9
123.08197	1.1
125.09726	10.2
129.09256	2.5
139.11292	1.1
155.07158	1.2
173.08200	25.2
187.09747	6.8
207.17526	2.0
217.00333	4.7
221.19141	14.0
222.19560	1.0
236.85010	0.9
239.20213	1.1
247.17018	1.0
251.16536	3.2
265.18118	10.5
269.17609	3.1
283.19150	13.9
301.20184	3.6
305.21152	2.5
344.02899	1.0
355.25967	1.1
374.99387	1.8
395.29340	1.3
413.30487	3.2
421.31186	1.7
439.27066	5.4
439.32199	10.0
440.32678	1.4
457.28116	100.0
457.33353	49.2
458.28046	10.8
458.34683	7.1
484.02438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
59.01384	100.0
60.01713	1.0
60.02711	0.4
71.01390	6.2
73.02953	2.1
83.01388	4.0
85.02964	2.6
87.00885	0.5
89.02464	5.2
93.03474	0.6
95.01422	0.4
98.19861	1.0
99.00893	0.4
101.02445	3.4
113.02469	4.0
115.05188	0.9
119.03516	0.9
125.02448	0.8
130.08765	1.8
135.04471	0.5
146.82100	0.4
148.05350	1.2
149.04553	0.9
157.13458	0.9
161.04565	1.2
173.04573	1.0
179.05629	0.9
190.70955	0.4
191.05676	1.5
215.72627	0.4
229.35504	0.6
230.00146	0.4
270.21844	0.5
271.81976	0.4
283.15640	0.4
302.93201	0.4
397.22229	2.7
413.24020	3.1
415.23608	1.6
457.25635	0.5
457.51114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62643	0.6
69.63052	0.4
71.93601	0.1
81.99231	0.1
83.05025	0.2
84.07407	0.2
84.68204	0.1
98.19987	0.3
99.92585	5.0
100.92723	0.1
100.93371	3.2
112.26408	0.2
115.92086	100.0
116.92095	4.0
116.92874	5.9
117.92522	0.2
117.93663	0.2
126.45407	0.2
130.94408	0.1
132.92381	1.1
142.94475	0.2
150.52527	0.2
155.95195	0.3
165.79753	0.2
172.95483	5.2
173.95464	0.3
199.04858	0.2
283.26505	0.6
383.19034	0.7
395.33026	0.2
399.18317	0.4
409.20636	0.9
439.21619	0.4
456.36081	0.2
457.22711	5.1
457.37692	1.0
458.22922	0.6
469.66302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.41219	44.9
71.01395	13.8
73.02956	7.7
83.05010	6.5
85.02935	8.7
88.29511	5.9
89.02448	12.7
93.03429	7.5
98.19951	13.8
101.02406	12.5
134.37386	5.7
152.17244	5.3
173.04579	12.4
191.05565	28.7
233.06512	8.1
285.40976	5.5
345.07831	5.7
379.22525	5.9
393.21490	5.8
457.18555	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29944	0.7
52.77457	0.7
55.01871	1.5
57.03461	1.2
58.00594	1.2
59.01386	34.1
61.98831	1.0
68.62788	0.8
71.01383	26.3
71.12797	1.4
72.97517	0.8
72.99301	2.3
73.02948	3.0
75.86079	0.9
76.18741	0.8
78.95903	2.2
81.20382	0.8
83.01408	2.0
85.02958	8.8
87.00874	1.3
89.00661	0.8
89.02448	23.3
93.03432	1.5
95.01381	1.2
96.96012	26.4
96.96986	1.9
97.02977	1.2
99.00899	2.0
101.02450	17.0
107.05029	1.4
109.02949	1.1
111.04528	1.9
113.02451	10.3
116.56936	0.8
117.00215	1.1
119.03526	7.2
119.05033	100.0
120.05350	2.8
121.06612	1.7
123.04579	1.0
123.08175	3.1
125.02455	2.3
125.35876	0.8
131.03470	1.6
135.04536	1.4
140.79781	0.8
143.03471	1.0
149.04544	1.7
150.16333	1.2
150.17526	0.8
155.03453	1.1
159.03015	1.0
161.02391	1.0
161.04558	7.1
161.05920	1.6
163.04019	93.3
164.04390	4.4
171.11737	1.9
173.04546	3.5
179.05652	1.7
189.12860	3.9
191.05620	4.2
205.01764	2.4
205.05066	3.5
217.72859	0.8
233.11807	1.2
265.12958	16.5
277.07858	0.9
277.10715	4.4
337.09302	6.2
375.06842	1.4
380.58884	0.8
397.17126	14.8
438.55713	0.9
457.04266	5.1
457.12509	3.7
457.17911	39.1
458.18414	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	457.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
59.01385	100.0
60.01719	1.2
61.98834	3.3
70.89047	2.6
71.01397	9.6
72.73292	1.0
73.02940	6.2
73.09424	1.1
81.55946	1.1
83.01390	1.7
85.02954	5.0
89.02459	5.8
93.03446	2.3
95.01386	1.4
99.00923	1.5
101.02453	9.6
107.96334	1.0
109.02979	1.2
113.02460	4.4
119.03525	2.5
121.02999	1.3
161.04543	3.3
163.07767	1.6
173.04556	2.5
179.05673	1.2
186.46605	1.3
191.05612	4.1
345.63339	1.0
355.70251	1.3
397.22348	2.7
415.23346	2.6
457.18088	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62501	1.1
55.01893	1.6
55.08900	1.0
57.03454	2.3
57.37319	1.0
57.96582	1.1
58.00588	4.3
59.01384	100.0
60.01729	1.4
69.03458	6.7
71.01387	68.6
71.56852	1.5
72.99306	2.1
73.02943	10.6
75.00864	2.2
81.03468	3.3
83.01401	5.1
85.02963	11.0
87.00874	3.2
89.02451	97.1
90.02769	2.0
93.03458	1.3
95.01399	2.5
97.02960	10.2
99.00888	15.6
99.04519	2.8
101.02448	16.1
111.00883	2.4
113.02444	8.3
115.04014	6.7
119.03511	2.0
125.02455	42.3
127.03940	1.4
131.03529	11.9
143.03490	4.5
147.05569	1.3
148.05312	48.8
149.04565	11.4
149.05687	1.7
161.04610	2.9
162.81189	1.1
163.07649	13.9
173.04596	2.1
176.39215	1.0
177.02028	1.1
191.05627	9.4
212.72293	1.0
224.95496	1.1
233.06645	30.8
234.06915	1.6
235.54590	1.1
238.86563	0.9
250.16629	1.0
267.07990	1.0
293.08792	24.1
397.22397	2.3
415.23236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	sasanquin
Peak:m/z	Relative Intensity
53.18921	0.8
55.01881	1.6
58.00597	2.7
59.01385	61.7
60.83910	0.9
61.42861	0.8
64.88298	0.8
69.72708	5.3
71.01387	31.9
72.99319	1.6
73.02963	1.8
73.80684	0.8
74.31403	0.9
78.50761	0.8
83.01398	2.2
85.02948	6.6
87.00896	1.5
89.02451	33.3
93.57687	0.9
95.01402	2.3
95.05000	1.1
96.43708	0.7
99.00895	1.0
99.04512	1.0
101.02448	20.3
109.02993	1.4
111.04540	2.2
113.02457	12.0
119.03527	16.3
119.05033	8.3
121.06635	2.8
123.08161	5.0
129.07152	1.5
143.03563	2.3
149.04582	1.4
161.04568	1.6
163.03984	6.5
169.10358	1.5
171.11778	4.0
179.05632	3.7
189.12856	7.9
215.10846	2.1
233.11877	2.5
277.10828	9.7
278.11420	0.9
413.18063	1.2
457.17233	100.0
458.17538	11.1
484.23962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.1
58.00542	0.7
59.01317	28.7
59.01649	2.5
66.72409	0.6
67.23739	0.6
69.56166	2.7
69.56575	1.0
71.01387	15.1
71.01749	0.8
72.99255	1.8
73.02918	0.8
83.01376	1.0
85.02969	3.5
86.57745	0.7
87.00853	0.8
89.02452	21.1
93.03439	0.9
95.01383	0.7
96.95988	0.6
99.00808	0.6
101.02447	10.3
109.02990	1.0
111.04520	0.9
113.02448	6.2
118.16888	0.6
119.03527	9.6
119.05034	100.0
120.05343	3.0
121.06618	1.2
123.08172	3.7
125.02442	0.6
131.03511	1.2
134.23515	0.7
143.03494	0.8
144.46774	0.6
149.04601	0.8
161.02838	0.5
161.04626	1.7
163.04018	66.2
164.04471	2.2
171.11894	0.6
177.57581	0.5
179.05754	2.3
189.13025	1.4
203.10965	0.6
277.10797	8.7
293.09268	1.4
347.96738	0.6
457.07758	1.7
457.18622	25.0
458.09219	0.7
458.18658	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.86374	1.1
58.00599	4.4
59.01383	87.7
59.80037	0.9
65.17036	1.0
67.01921	1.5
69.03478	7.0
71.01389	78.0
72.01721	1.2
72.99302	3.6
73.02955	11.4
75.00886	3.3
81.03464	5.5
83.01398	5.9
85.02955	11.8
87.00890	2.5
89.02454	100.0
90.02744	1.1
93.03469	2.0
95.01425	2.5
97.02961	12.8
99.00888	17.3
99.04524	2.8
101.02454	17.7
111.00878	2.0
113.02471	10.1
115.04047	7.8
119.03506	2.5
123.00870	1.5
125.02459	41.9
126.02748	1.2
127.04048	1.8
131.03511	12.6
135.04584	1.9
143.03502	3.7
147.04509	1.0
148.05322	56.7
149.04578	13.0
149.05670	2.1
161.04567	2.3
163.07652	16.1
173.04565	2.7
179.03455	1.5
191.05611	12.1
233.06654	40.5
233.17552	0.9
234.07072	1.2
293.08817	26.2
294.09097	1.4
356.17410	1.1
397.22256	1.2
457.16974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50117	0.5
55.01833	0.6
56.90934	0.5
58.00559	0.8
59.01323	17.0
61.98779	0.7
65.29020	0.4
69.03426	0.7
69.18829	0.4
69.18976	0.9
69.19389	4.7
69.25607	0.6
71.01385	11.8
72.99271	1.4
73.02904	1.5
75.64730	0.5
77.79686	0.5
78.95905	0.7
83.01340	0.9
85.02944	3.9
87.00854	0.9
89.02455	11.5
92.67161	0.5
93.03443	1.2
95.01325	0.8
96.96022	10.5
96.96657	0.8
96.96929	0.9
99.00865	1.3
99.04495	0.5
101.02451	7.9
112.92129	0.5
113.02448	4.3
118.32671	0.5
119.03528	3.8
119.05035	100.0
120.05373	3.3
121.06617	0.7
123.08157	0.8
125.02396	0.8
131.03505	0.9
133.03029	0.6
133.06592	0.7
135.04550	1.2
143.03531	0.7
145.02953	0.8
149.04561	0.9
161.04591	1.8
161.06035	0.7
163.04021	86.5
164.04382	2.6
171.11803	1.0
173.04553	1.5
179.03603	0.7
179.05756	1.1
189.12837	2.4
191.05754	1.9
205.05072	2.3
265.12949	3.6
277.08337	0.6
277.11130	2.0
282.99564	0.5
293.09033	0.8
295.08762	0.6
337.09503	2.5
353.09229	0.6
375.07748	0.8
397.17197	4.3
457.00064	0.7
457.05002	2.3
457.18295	21.3
458.18460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90357	0.4
59.01382	4.9
61.98853	0.5
71.01388	2.9
73.02970	0.5
89.02466	3.7
93.03504	1.1
101.02471	1.2
111.00912	0.3
113.02465	0.6
119.05038	100.0
120.05355	3.1
121.02967	0.6
123.08172	0.6
125.02508	0.7
127.09354	0.4
131.03577	0.5
135.04559	0.7
137.06052	0.6
149.04596	0.4
161.02501	0.4
163.04021	71.0
164.04381	3.0
173.04544	0.5
175.03975	0.6
179.05516	0.4
181.05162	1.6
191.05646	0.6
218.05779	0.6
223.06117	0.7
233.06361	0.6
233.08279	1.1
259.53925	0.4
277.07324	0.7
277.10794	0.9
293.08783	1.1
295.08102	0.6
309.73364	0.4
313.69022	0.3
436.95279	0.4
457.13321	24.4
458.13593	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	457.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07420	0.4
59.01372	1.7
71.01377	1.2
71.54569	0.5
78.95907	8.2
79.95737	0.9
89.02446	0.7
96.96021	51.4
96.96939	9.6
101.02444	0.9
109.02956	3.5
113.02393	0.6
113.56492	0.5
119.05048	3.6
134.03746	0.8
135.04535	100.0
136.04884	4.2
163.04015	2.8
163.65529	0.5
191.00240	0.8
191.05493	0.6
233.01233	0.9
254.28450	0.5
271.08325	1.2
285.83328	0.6
297.09802	35.8
298.10239	2.1
359.09830	6.6
360.10455	0.6
380.41385	0.5
457.17297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12575	0.2
58.76160	0.2
59.01390	1.1
68.80377	0.2
69.24801	2.2
71.01389	1.1
73.02946	0.3
76.27660	0.2
89.02460	1.7
93.03468	0.6
99.00937	0.3
101.02445	0.6
113.56146	0.2
115.04045	0.3
119.05040	100.0
120.05367	3.6
125.02460	0.6
149.04590	0.5
163.04024	72.8
164.04366	2.3
173.04631	0.3
191.05635	0.4
233.06401	0.3
233.08429	0.3
293.08807	1.0
295.07718	0.3
457.13522	25.2
458.13803	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	455.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83415	1.5
52.90970	1.3
57.03448	4.1
59.01389	2.9
62.99465	1.3
69.03462	2.9
71.05017	2.2
71.55698	2.5
72.99312	1.7
76.44234	1.4
83.05043	3.5
85.06615	6.3
85.43630	1.3
87.00877	1.9
97.06593	1.7
125.09722	1.6
127.04031	2.3
129.05612	16.4
130.99902	1.8
135.43826	1.6
141.12892	4.9
145.05008	1.4
155.14371	1.6
188.56459	1.3
222.08064	1.5
267.23505	2.1
267.26859	2.9
327.29318	1.4
383.10916	1.6
411.38336	15.4
412.38986	2.2
455.36334	100.0
456.36893	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	456.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01385	4.9
60.01711	0.5
61.01814	0.4
61.98833	100.0
70.00698	1.7
71.01392	3.2
73.02941	1.0
73.31372	0.5
74.03304	0.5
85.02980	1.2
87.00890	0.6
89.02453	3.0
93.03465	0.9
96.96050	0.7
96.96944	0.6
98.19973	0.6
101.02473	1.4
101.23689	0.4
107.05051	1.4
113.02471	0.7
115.04029	0.5
119.03516	0.9
119.05019	0.7
125.02438	1.0
133.05013	0.5
135.04530	2.2
151.03969	0.7
153.01978	0.5
161.02475	0.7
162.02846	0.5
163.06183	0.9
164.08539	0.6
166.05128	1.1
173.04567	1.8
179.03490	2.5
191.05647	1.7
210.03993	0.6
233.06711	1.2
264.96451	0.4
293.08850	0.6
396.18781	0.6
457.17264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.38565	0.8
69.37231	5.8
96.71006	0.8
171.59840	0.7
178.83260	0.8
210.04266	0.7
395.33109	1.4
455.35324	100.0
455.40671	4.5
456.35660	14.7
456.41592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01367	3.8
63.41458	1.0
69.65661	8.2
85.06596	12.5
95.71001	1.1
98.20654	1.5
101.17810	1.3
104.96877	1.1
108.42985	1.2
111.04493	2.5
113.02421	3.1
129.05591	47.1
145.08664	3.5
171.13857	3.0
177.27516	1.3
195.05037	1.1
237.22156	1.5
251.23819	6.9
265.25247	4.9
283.22754	4.7
295.22794	2.6
295.78708	1.5
309.24280	1.9
311.25809	2.2
313.23721	4.4
327.25409	6.1
383.18594	1.6
393.37442	2.1
411.38498	1.7
455.35425	100.0
456.35645	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	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11674	0.2
60.43240	0.2
62.24109	0.2
63.45531	0.2
68.42124	0.2
69.10463	0.2
80.88356	0.2
82.29905	0.2
84.96219	0.2
91.66204	0.2
98.19782	0.4
204.69073	0.2
217.34660	0.2
232.14249	0.2
238.05508	0.2
411.34729	0.7
455.35342	100.0
456.35699	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36964	0.2
71.31779	0.4
174.10573	0.3
211.16875	0.2
264.59317	0.2
423.32394	0.2
455.35318	100.0
456.35654	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	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33105	0.5
75.33656	0.2
91.88374	0.2
92.55991	0.3
95.87998	0.2
100.01338	0.2
135.26161	0.2
174.32256	0.2
180.17813	0.2
189.50789	0.2
226.38374	0.3
297.83920	0.3
346.61078	0.2
393.84314	0.2
407.33167	1.0
455.35315	100.0
456.35663	14.4
456.42416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84262	0.7
72.89365	0.3
107.04348	0.3
157.12332	0.5
208.23746	0.4
267.26959	0.4
407.89282	0.3
411.38541	3.8
418.81775	0.3
455.35303	100.0
456.35654	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	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
66.63033	0.3
69.87878	1.0
71.57871	0.3
237.19986	0.3
313.23868	0.6
393.31747	0.5
411.32733	2.2
437.32205	0.3
455.31671	100.0
456.32004	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	455.3168
Annotation	Norselic acid B
Peak:m/z	Relative Intensity
57.03450	1.4
59.01379	3.3
69.03485	0.9
69.41507	5.6
71.01396	0.7
71.05022	1.1
72.97927	0.7
73.02960	1.3
75.20668	0.8
80.98988	0.7
83.05037	2.4
85.02961	0.9
95.05059	0.7
111.04548	0.8
118.08704	0.8
125.09702	2.0
125.47453	0.8
219.13963	1.1
266.75601	0.8
359.43326	0.7
375.26901	5.9
389.23947	0.8
389.28333	3.9
391.30145	19.9
392.30420	2.3
393.31818	2.1
411.32962	1.6
423.29135	2.1
425.30765	4.7
435.29037	12.7
436.29214	1.5
437.25827	0.7
437.30609	70.4
438.30988	8.0
455.31723	100.0
456.32031	15.2
481.30005	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.79705	0.3
57.03448	0.8
58.76408	0.3
59.01372	1.2
59.05231	0.3
61.98863	0.3
66.92759	0.3
69.03445	0.4
71.05006	0.5
71.55975	0.4
83.05045	0.5
85.02947	0.3
97.06612	0.6
111.04571	0.3
123.08167	0.3
125.09708	0.4
137.09700	0.3
139.27135	0.2
143.22697	0.3
171.10344	0.5
194.32361	0.3
247.82524	0.3
276.97989	0.3
283.19281	0.4
343.26483	0.5
374.26065	0.3
375.27032	2.2
389.28482	0.7
391.30127	7.6
392.30573	0.6
393.31497	0.6
395.29514	0.5
407.25409	0.6
407.29941	0.4
409.31268	0.6
411.28427	0.3
411.32983	3.2
412.33075	0.4
425.30569	1.0
435.29041	4.6
436.29587	0.7
437.30606	23.4
438.30933	3.0
443.32578	0.3
455.31677	100.0
456.31989	12.9
456.41556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01382	1.6
59.76060	0.3
61.98817	1.0
71.01386	0.4
71.05013	0.3
73.02940	0.5
91.72210	0.3
97.02947	0.4
98.19884	0.8
148.18626	0.4
160.84192	1.5
161.84117	0.4
162.83919	3.8
171.10286	0.7
221.19095	0.3
283.19427	0.5
313.23660	0.4
377.28506	0.9
383.29547	0.4
389.27432	0.4
391.29932	0.7
393.31689	0.6
395.29736	0.6
400.14676	0.3
407.29343	1.3
409.31168	0.8
411.33209	2.5
412.33505	0.4
419.07953	0.5
420.07535	1.2
437.30093	3.0
455.31650	100.0
456.31995	12.4
465.17822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42321	2.7
55.32823	2.8
57.03463	5.3
59.01389	70.9
61.98833	18.0
68.61230	3.1
71.01385	47.0
71.57144	3.4
72.99282	3.9
73.02954	12.1
75.77691	2.6
78.95899	3.5
83.01398	11.6
85.02945	15.5
87.00919	6.1
89.02438	21.1
93.03476	6.9
95.01408	4.0
96.95979	3.4
99.00889	5.9
99.96989	2.6
101.02451	42.7
108.02184	4.4
109.02990	4.3
111.00919	3.9
111.04471	3.0
113.02453	13.3
123.98885	3.0
125.02452	3.2
131.03543	13.9
134.03763	6.9
149.04546	4.9
153.02129	2.8
159.02982	3.3
160.95673	14.5
161.04568	7.0
173.04556	8.6
178.02638	4.9
182.72505	2.6
191.05637	13.8
192.95866	2.6
193.05048	7.2
201.11491	3.9
219.29422	2.6
228.08484	4.2
228.24359	2.6
237.14923	7.3
241.09589	3.4
263.14990	41.1
281.13986	7.9
290.86493	2.6
395.04916	2.7
395.19232	100.0
396.19800	9.7
405.06332	2.6
417.08353	4.0
455.20111	30.0
456.20200	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06409	3.3
57.03460	4.2
59.01384	79.8
61.98837	6.1
69.35024	9.6
69.35445	16.9
71.01389	93.6
71.05016	6.9
72.99303	6.6
73.02949	22.8
78.95889	9.8
83.01391	8.7
83.05013	3.7
85.02953	32.2
87.00900	5.5
89.02454	62.0
94.77074	3.3
95.01374	7.2
96.95998	10.9
96.96975	6.5
97.02952	3.3
98.20766	3.0
99.00890	11.9
101.02447	56.5
101.06069	12.0
109.02945	4.0
109.42039	3.1
113.02450	35.8
119.03492	9.2
124.24332	3.9
125.02447	9.1
131.03514	17.0
143.03502	6.7
149.04573	35.6
159.02971	7.1
161.04616	33.4
161.05965	5.6
172.41136	3.1
179.05563	5.3
189.05614	30.7
191.05638	11.2
263.11404	64.6
264.11694	5.1
267.01047	3.7
272.27811	3.4
293.08841	7.8
341.10580	5.9
395.10284	6.6
395.15543	100.0
396.16129	7.7
455.11154	6.0
455.35220	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	455.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	3.0
59.01383	87.8
61.98829	3.7
71.01011	5.2
71.01385	67.0
71.25589	4.7
72.99299	4.0
73.02945	9.6
78.95895	6.8
81.03465	5.7
83.01387	6.8
85.02973	17.0
87.00870	5.6
89.02452	100.0
96.96023	5.7
96.96967	4.4
97.02956	2.8
99.00888	4.7
101.02457	57.0
109.02976	2.5
109.47259	2.6
113.02448	19.1
114.21830	2.4
118.73273	2.3
119.03532	15.5
125.02435	14.7
131.03497	21.3
143.03477	3.6
143.27081	2.6
149.04568	58.7
159.06604	3.4
161.04584	14.9
165.31775	2.6
171.14763	2.3
179.05634	11.0
191.05583	11.6
210.63600	2.6
233.04034	2.4
248.79218	2.7
249.09746	3.4
263.11374	30.6
293.08667	3.0
382.95074	2.5
395.15524	54.3
396.15897	3.1
442.72452	2.6
455.17581	5.3
455.35367	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	455.0977
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
51.41263	0.4
57.03451	0.9
59.01389	5.2
61.98848	3.2
71.01386	4.8
71.56279	1.0
72.99319	0.8
73.02968	1.5
75.00885	4.8
77.23691	0.5
78.95911	79.8
85.02953	1.5
87.00878	0.9
88.98834	0.6
89.02458	5.6
89.63974	0.5
93.03457	1.0
96.96971	100.0
99.00893	0.7
101.02448	2.1
101.06091	1.6
109.02959	0.8
113.02470	1.3
119.03497	0.9
125.02422	1.2
131.03418	0.5
138.98038	3.5
149.04564	1.4
149.06146	0.6
155.03442	0.8
160.04045	0.8
161.02440	1.1
161.04538	0.9
173.04488	1.1
191.05611	2.3
191.95398	0.5
198.06754	1.5
199.00160	12.7
212.08325	5.2
213.01694	10.7
241.07315	5.3
249.07486	0.5
253.04306	0.5
255.08904	5.7
256.09375	0.8
293.08905	2.1
327.08813	0.6
355.52289	0.5
393.18671	0.6
394.18094	0.5
395.18011	0.8
440.22546	0.5
454.24155	1.2
455.09802	26.0
455.16074	1.2
455.23642	1.1
456.10001	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	455.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
57.35762	0.9
59.01381	9.2
61.98832	5.3
67.01878	0.8
67.78475	0.9
71.01389	10.6
71.15889	0.9
71.56650	1.1
78.95906	29.9
79.95725	4.1
85.02934	2.9
87.00870	2.8
89.02464	5.8
89.03965	2.1
93.03473	2.4
96.96008	100.0
96.96961	53.5
101.02439	4.4
105.03454	4.5
108.02150	1.8
109.02943	2.5
112.91360	1.0
113.02438	2.1
119.03515	2.1
119.05082	1.2
122.16084	1.0
123.04520	5.2
125.02426	1.5
133.02954	11.6
133.03986	1.2
133.04170	1.0
133.05090	10.5
135.04527	1.2
136.95326	1.0
161.02441	4.4
163.03886	1.4
173.04579	4.8
177.01942	98.8
177.05362	2.3
178.02274	3.7
181.05104	1.4
183.10237	1.0
191.05637	6.2
266.19400	1.1
293.08987	1.4
321.06229	3.3
339.07193	2.1
411.09393	1.6
419.19269	1.1
455.11496	6.9
455.20547	4.5
456.17035	1.4
457.71506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.7
61.98819	13.2
69.32143	9.7
71.01387	70.3
71.54887	11.0
71.55298	12.2
78.95904	35.2
85.02956	13.5
89.02464	100.0
96.96001	43.3
96.96958	36.5
99.00867	20.0
101.02470	55.8
109.02922	13.9
112.25768	10.7
113.02428	14.9
115.92129	14.1
123.04534	14.3
131.03474	17.7
149.04584	68.3
161.02315	10.7
161.04527	11.8
187.20497	12.2
191.05627	20.2
193.05074	15.9
220.97783	13.8
233.06699	12.3
264.96536	18.4
293.08829	43.0
373.11252	19.6
393.01263	15.8
395.15518	29.6
455.09317	22.8
455.17545	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	30.8
59.36424	1.0
66.15018	1.0
69.03458	3.9
71.02142	1.0
71.05030	1.1
71.42706	1.2
73.02943	1.4
74.24230	1.0
78.61852	1.4
83.05038	21.7
85.06572	1.7
99.04474	2.6
112.01690	1.9
123.08198	1.5
127.04027	63.5
128.04396	1.6
139.11278	6.1
141.09262	5.5
217.85239	1.1
245.95956	1.2
251.23726	1.6
267.26944	71.4
268.27188	5.3
279.26883	2.1
311.25989	2.0
349.34799	11.8
350.35092	1.7
351.44638	1.1
365.37964	4.1
409.36917	60.2
410.37137	6.2
453.35892	100.0
454.36383	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	453.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03248	1.6
57.03457	17.7
59.01359	3.8
59.13819	1.9
66.34933	1.7
69.03452	5.7
71.05026	10.4
71.54654	2.7
72.99306	2.4
73.02939	8.0
78.38522	1.8
97.06587	5.4
99.04509	4.5
113.02401	1.9
123.04523	1.8
123.08176	2.2
139.11314	4.6
141.09236	24.1
143.03523	1.9
187.20689	1.7
197.91052	2.0
267.24179	3.1
267.26932	32.6
268.27295	2.4
349.34753	5.4
365.34341	2.3
385.54480	1.9
409.36990	100.0
410.37335	11.6
451.80313	2.1
452.54086	1.9
453.34238	38.4
453.39606	6.4
454.35580	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	453.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44508	1.5
57.03453	31.4
61.83066	1.5
69.03455	7.2
69.35860	1.4
71.00806	3.3
71.05039	2.5
73.02969	1.3
76.29738	1.4
85.06573	3.4
85.31898	1.2
91.76875	1.3
92.14657	1.2
95.05035	2.6
97.02952	1.9
97.06599	8.1
99.04514	3.9
113.06108	2.0
123.08177	1.7
125.09683	2.3
127.29282	1.6
139.11310	5.0
141.05634	3.8
141.09245	5.3
147.77373	1.4
156.02100	1.5
189.76660	1.4
260.07574	1.4
267.26935	55.3
268.27411	4.7
279.27011	4.2
327.04022	1.7
349.34848	7.1
353.34271	1.9
365.34103	1.6
368.32355	1.5
393.45734	1.8
409.37088	100.0
410.37411	12.7
435.34366	1.6
453.34457	66.5
454.35114	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	453.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	29.0
59.01370	1.5
59.65546	1.1
67.14202	1.2
69.03470	5.2
69.07096	1.0
70.20019	4.0
71.05027	3.5
72.71161	1.0
73.25407	1.1
81.04022	1.0
83.05022	1.7
85.02965	7.9
86.47997	1.0
86.89104	1.1
97.06606	2.6
99.04530	4.1
111.00918	2.4
123.08255	1.4
127.04006	5.7
127.42032	1.1
129.01978	1.7
139.11284	6.4
141.05592	7.9
141.09216	7.4
143.03481	1.5
159.40475	1.2
181.03899	1.2
183.78885	1.1
252.34401	1.3
255.68947	1.1
267.26950	64.0
268.27213	5.4
279.26999	2.7
296.66516	1.0
311.26086	1.8
349.34787	13.9
365.34085	1.9
365.38138	1.6
409.37088	91.9
410.37552	10.5
453.35907	100.0
454.36237	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	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.03434	0.3
59.01384	0.6
59.21292	0.2
68.99810	0.2
69.82371	1.1
71.01386	5.8
83.05032	0.4
97.02947	0.3
98.20593	0.3
107.91141	0.2
125.09711	0.3
139.22835	0.2
142.23288	0.2
154.02277	0.2
216.11507	0.3
266.18881	0.3
297.21283	0.3
327.52377	0.2
357.74576	0.2
364.94910	0.3
391.32300	1.1
407.33234	0.8
409.32977	0.7
417.29718	0.3
423.29245	2.0
435.31079	0.8
437.30344	0.4
446.62650	0.2
453.33774	100.0
454.34106	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	453.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
69.29393	3.6
69.29819	2.5
85.02937	0.9
94.85078	0.6
111.08221	0.7
169.08632	0.8
199.50356	0.6
269.21283	1.0
283.22672	0.7
297.24429	0.8
313.23657	1.1
365.34277	4.9
389.30569	0.8
391.32025	3.8
407.32614	0.8
409.33163	4.6
417.30130	1.0
435.31213	2.8
441.34003	1.5
453.33777	100.0
454.34039	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	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.03452	0.4
59.01376	0.5
61.98830	0.4
62.52103	0.3
71.18064	0.5
87.00864	0.3
97.06567	0.6
99.04525	0.6
111.04520	0.3
117.63327	0.3
125.09706	0.3
125.92251	0.3
155.14438	0.4
170.39545	0.3
191.11667	0.3
283.22803	0.4
297.24387	0.3
311.25958	0.9
365.34070	0.5
391.35709	2.1
392.36011	0.8
407.33136	1.4
409.36963	1.6
417.33685	1.2
435.34827	3.8
436.35123	0.5
453.33749	100.0
454.34058	13.1
472.98169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.03420	0.4
58.23276	0.3
69.80563	1.4
71.05025	0.5
77.68975	0.4
77.99809	0.3
97.02916	0.4
98.20623	0.7
110.03735	0.3
113.02477	0.3
115.07657	1.4
124.71052	0.3
219.13844	0.4
283.19345	0.4
293.24643	0.7
299.22223	0.3
314.24185	0.4
337.23923	0.4
423.28860	1.1
453.33759	100.0
454.34100	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	453.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
69.88758	1.4
71.05021	1.1
80.49297	0.2
83.05043	0.5
95.05070	0.3
97.06590	3.4
98.20603	0.3
108.25037	0.3
111.67168	0.3
123.08096	0.3
160.82112	0.3
245.04698	0.3
389.28403	1.1
391.30069	7.0
392.30499	0.6
393.28070	0.3
405.31699	4.6
406.31833	0.3
407.33237	11.7
408.33469	1.6
409.31067	0.9
423.29108	1.4
435.29092	4.5
436.29379	0.6
437.30753	1.4
439.32016	1.0
451.32556	0.4
453.34286	100.0
454.34564	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	453.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89994	0.3
57.03456	0.6
59.01374	0.6
61.98840	0.3
63.91259	0.3
69.53434	0.9
69.53845	1.3
73.02953	0.4
87.00849	0.4
97.06579	0.8
98.20627	0.7
99.04514	0.8
113.06068	1.2
114.45026	0.3
118.36066	0.3
129.05597	0.6
138.18845	0.3
144.89494	0.3
161.52673	0.4
173.11850	1.2
196.41989	0.4
201.14603	0.4
208.36253	0.3
275.22195	0.4
285.21100	0.4
297.24307	1.2
327.79553	0.4
391.36023	0.9
405.34866	0.4
409.33502	0.5
417.33716	0.8
435.34726	1.9
453.33749	100.0
454.34088	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	453.3016
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
55.01460	0.5
57.03449	0.6
59.01352	1.2
59.12471	0.5
61.98821	1.1
62.18011	0.5
64.07680	0.6
67.11829	0.5
69.90750	2.9
71.01365	0.6
71.05022	3.0
78.95892	1.0
83.05022	0.8
95.05006	0.5
96.67284	0.6
99.92586	3.4
104.55403	0.6
112.96480	0.6
115.92079	3.4
116.92807	2.2
129.74911	0.6
148.58545	0.5
149.09721	0.6
283.19217	0.6
301.19818	0.7
307.11319	0.6
311.22141	0.8
336.10162	1.4
337.23563	0.6
380.32745	0.6
389.28336	1.0
391.16000	3.4
391.29828	5.4
392.30179	1.0
393.19461	1.6
393.27774	1.7
405.13495	2.1
407.29462	0.9
409.29916	1.3
435.28979	20.4
436.29669	2.7
453.15738	3.7
453.29831	100.0
454.30127	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	453.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24430	0.5
57.03461	3.3
57.27392	0.4
58.06625	0.4
66.99783	0.4
69.03459	0.8
69.65533	0.9
69.65942	1.2
71.05027	100.0
72.05370	1.6
73.02955	0.4
99.04534	14.4
101.02428	0.4
102.23325	0.4
123.08173	0.5
129.05554	0.4
139.11348	0.6
141.09207	2.4
143.03514	30.5
144.03789	0.6
200.59377	0.4
207.27928	0.5
267.26874	3.8
305.36679	0.5
327.50647	0.4
391.35916	0.6
409.36938	13.1
410.37390	1.4
453.35547	3.7
472.73895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3008
Annotation	23-Deoxyantheridiol
Peak:m/z	Relative Intensity
52.09536	1.2
52.58462	0.9
58.59707	1.0
59.01377	2.1
61.98837	3.2
69.03435	1.0
69.97623	5.3
71.05023	1.5
71.99232	1.2
81.03458	2.1
83.05085	1.0
89.09963	1.0
95.05032	1.3
96.96918	1.2
97.06609	3.2
111.08128	1.4
133.26796	1.1
135.08157	2.5
149.09727	1.1
160.84239	12.5
187.46239	1.1
220.96028	1.3
296.97812	1.3
297.24277	1.1
378.36630	1.0
389.28488	14.6
390.28659	1.6
391.30118	11.8
392.10822	1.1
393.18634	1.7
394.15894	1.8
405.31857	2.5
407.33435	7.4
408.33365	1.6
409.31204	9.8
418.07654	5.1
435.29019	100.0
436.29419	14.1
453.29645	49.0
453.34048	54.0
454.29803	6.7
454.34259	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	453.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
81.03454	3.5
92.87545	1.1
95.15588	1.0
97.06604	2.8
123.08183	1.9
135.08109	1.6
146.74994	1.1
149.09712	1.5
185.11937	1.9
191.06938	1.1
225.16522	1.3
255.07260	1.4
271.16946	1.1
272.07108	1.2
374.26410	2.3
389.28577	16.0
390.28873	1.6
391.30139	16.0
405.24307	2.5
405.31580	3.7
407.33340	7.9
408.32993	1.9
409.30707	1.6
423.29013	2.2
435.29031	100.0
436.29410	10.8
453.29739	76.5
453.34125	72.7
454.30075	10.5
454.34531	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	453.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06385	0.7
55.01889	6.5
57.03463	6.0
58.00598	3.4
59.01386	68.1
61.98848	0.8
69.03456	2.1
69.30974	0.9
71.01389	82.0
71.55347	1.4
72.01724	1.2
72.99317	5.2
73.02953	25.7
75.00876	2.1
80.05063	1.0
81.03451	4.9
82.03802	1.3
83.01393	15.6
83.05029	8.5
84.05357	4.5
85.02957	37.2
86.00116	1.4
86.03297	0.9
87.00888	5.5
89.02455	43.2
90.88380	0.8
94.06639	0.9
95.01402	4.5
97.02966	2.6
97.06607	0.9
99.00905	9.4
101.02452	71.5
103.03995	0.8
111.00898	9.8
113.02457	25.2
114.02786	0.9
115.04013	2.2
119.03529	2.7
120.04580	1.4
122.06139	2.1
124.07694	2.6
125.02460	5.3
125.07253	1.9
129.01979	2.4
129.07066	0.8
131.03519	18.9
137.02464	1.0
140.09171	0.8
141.01985	1.0
143.03532	4.3
148.04076	4.6
149.04561	12.9
150.05699	1.5
159.02998	4.2
159.13899	1.2
161.04564	19.5
166.05217	1.4
173.04550	3.2
191.05661	2.8
195.06650	0.8
203.02589	0.8
215.05637	1.0
224.17677	0.9
225.16090	1.7
225.18053	1.0
226.16408	3.8
227.12007	0.9
227.16499	2.1
231.11539	1.8
233.06682	5.2
240.09137	1.8
255.11406	2.7
273.12485	11.3
274.12949	0.9
291.13763	4.2
293.08954	1.1
303.18173	1.9
321.19196	100.0
322.19562	8.7
334.23215	1.8
435.32321	3.9
452.33133	9.2
453.23471	91.6
453.33319	55.5
454.23807	9.8
454.33911	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	453.2345
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
55.01876	2.1
56.07975	0.8
57.03443	3.4
59.01388	57.6
60.01679	0.9
61.98543	1.2
61.98839	17.9
67.01891	3.0
71.01386	23.3
71.54743	1.2
72.99330	1.2
73.02630	0.8
73.02956	9.7
75.00845	1.0
75.98622	0.9
78.95909	3.1
81.03447	1.4
83.01400	4.6
83.05020	2.1
85.02462	1.8
85.02961	34.9
86.00089	0.9
87.00885	2.0
89.02451	5.6
92.81461	0.8
93.03471	11.1
93.52977	0.9
95.01389	2.6
96.95970	1.4
97.02971	2.5
99.00880	3.8
101.01804	1.4
101.02454	22.4
109.02982	1.5
111.00876	2.8
111.04507	2.3
111.08178	1.0
113.02469	9.8
115.04017	2.2
119.03486	1.3
121.02952	1.0
122.03761	1.5
123.04510	1.2
124.05341	1.9
125.06076	1.6
131.03430	1.2
137.02464	2.0
137.70436	0.8
139.07684	5.3
141.01984	1.0
150.00055	0.9
155.03429	1.4
155.10738	2.2
159.03024	1.9
161.04578	4.5
163.07626	0.9
168.07957	1.3
171.10199	2.0
173.04564	48.9
174.04811	1.1
175.11192	1.1
179.03482	0.8
187.11494	0.9
187.13365	2.9
191.05566	2.1
192.27708	0.8
205.12331	2.7
207.34268	0.8
217.10776	1.9
247.09808	1.3
279.12369	4.6
286.07181	0.9
349.18692	13.6
357.19321	4.5
393.17313	1.0
417.21371	4.5
435.22379	5.9
453.23758	100.0
454.24054	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	453.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03443	3.6
59.01385	88.2
64.36943	1.2
69.03439	1.7
69.64961	2.2
69.65379	5.7
71.01389	58.4
71.05007	1.4
72.99318	6.6
73.02951	18.4
75.00867	1.7
81.03439	1.8
83.01388	8.4
85.02964	23.0
87.00882	4.5
87.04498	2.3
89.02458	14.8
95.01367	3.9
96.96916	2.0
97.02962	2.9
97.06582	1.9
99.00863	7.8
99.08127	1.5
101.01796	2.8
101.02451	40.8
101.06076	2.5
102.02748	1.5
103.03998	3.1
109.02969	2.0
113.01717	2.0
113.02462	22.6
115.03954	1.4
115.07597	1.6
119.03502	4.6
122.03768	1.3
125.02413	4.8
129.09218	2.5
139.07616	3.7
143.03506	4.1
143.07121	4.6
145.05074	1.8
149.04765	1.4
149.71524	1.3
159.02983	4.9
159.06583	1.5
161.04558	24.3
163.06117	4.4
166.43506	1.2
173.04532	2.4
179.05620	1.5
182.32051	1.2
205.07195	1.8
247.11874	45.1
248.12325	2.1
273.17078	4.0
279.12390	4.8
291.18121	3.6
393.17654	100.0
394.18051	5.3
417.21576	1.7
435.22464	10.6
450.41156	1.3
453.23407	94.2
454.24023	7.4
477.57947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76106	8.3
59.01159	7.2
59.01385	95.4
61.98824	10.6
71.01391	28.6
71.16515	15.8
72.14523	7.1
76.03928	10.0
82.03967	8.8
83.01376	11.9
85.02959	11.1
89.02449	10.0
101.02460	19.7
103.04042	11.3
109.02940	13.0
113.02443	13.7
121.02980	100.0
148.53049	8.6
152.36693	9.1
155.10742	11.4
173.04631	9.4
211.79324	9.0
228.77756	7.9
231.13995	19.0
249.14793	9.8
297.21545	10.0
358.57288	9.3
422.28607	8.2
453.22827	49.6
454.23740	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	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
69.68279	0.6
69.68684	1.8
71.01394	0.5
75.98110	0.4
78.95911	100.0
96.96969	1.4
110.98543	91.2
111.52259	0.4
111.98815	0.6
144.82524	0.4
156.37309	0.4
159.21725	0.4
176.62343	0.4
191.05638	1.4
192.06047	0.4
262.85889	0.5
341.10602	0.9
355.09689	0.4
453.10522	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24604	0.4
55.41542	0.4
55.85493	0.3
69.25925	3.0
69.26166	0.5
75.34521	0.4
78.95909	100.0
94.46483	0.4
98.20692	0.7
104.21778	0.4
110.98540	99.3
111.98935	0.4
113.61605	0.4
116.95334	0.4
121.69727	0.4
124.90810	0.4
127.21046	0.4
129.64693	0.4
139.74980	0.3
204.53185	0.4
239.88364	0.4
341.10941	0.9
453.10104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03483	1.9
55.01873	6.3
57.03438	5.1
58.00593	4.7
59.01386	100.0
61.98840	68.0
62.00265	2.0
67.10262	1.9
69.37179	16.5
71.01389	99.8
72.01737	2.6
72.99312	4.1
73.02951	23.2
76.99719	1.8
83.01393	12.4
83.27097	1.9
85.02959	27.5
85.15909	2.0
87.00882	5.9
89.02455	84.2
90.02821	2.0
93.03471	2.6
95.01379	3.4
98.20766	3.2
99.00887	7.5
101.02451	72.8
111.00902	16.5
113.02464	30.6
117.05565	3.8
119.03520	10.1
120.86743	1.9
125.02450	6.2
129.01952	2.3
131.03537	24.0
133.05067	2.7
137.02449	2.5
139.68547	1.7
143.03535	5.2
146.03740	2.2
149.04576	39.0
159.03017	3.7
161.04578	19.1
173.04564	6.3
179.05661	14.6
191.05574	9.9
233.06679	3.7
261.13492	6.2
273.35626	1.9
293.09042	2.3
321.19235	58.7
322.19339	3.6
326.10837	2.8
393.17618	25.7
394.17795	3.1
427.88824	2.0
453.17206	4.2
453.23422	69.0
454.23785	7.4
471.72543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28027	0.7
59.01367	0.8
65.01407	0.7
69.46722	5.0
69.76817	0.7
71.01400	0.9
78.56905	0.7
85.02949	0.8
96.96016	18.0
96.96963	1.2
97.06590	2.8
98.95605	25.7
98.96430	3.5
99.00922	0.8
99.92590	28.7
100.92693	1.3
100.93362	5.7
101.45726	0.7
108.66882	0.9
115.92088	44.7
116.92096	2.5
116.92867	6.9
128.62527	0.7
133.02933	1.8
134.03757	6.8
135.04564	9.0
141.05579	1.5
161.02419	2.2
179.03517	7.4
191.05618	11.3
192.05974	2.9
193.06102	6.0
210.97133	1.1
215.95168	2.5
216.95998	2.6
217.96759	10.9
218.97554	41.3
219.94633	1.8
219.97714	3.6
221.96405	0.7
227.23755	0.8
234.97067	1.1
244.95471	2.1
247.09624	1.8
261.95822	2.6
262.96533	100.0
263.96716	7.8
278.96347	0.8
307.08218	1.6
355.09286	2.2
373.00217	6.1
391.01276	43.1
392.01596	6.3
409.14999	2.3
435.00317	1.7
453.01184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3432
Annotation	5alpha-Cyprinol
Peak:m/z	Relative Intensity
57.03441	2.3
59.01381	1.3
69.03462	7.4
69.30591	6.9
70.57720	0.7
71.01382	3.1
71.05045	0.6
71.10706	0.7
74.66032	0.6
74.84795	0.9
75.89641	0.6
81.03478	1.0
85.02940	1.2
95.05037	2.6
97.06602	2.4
99.04511	1.3
111.04565	0.8
111.08124	0.9
113.02473	2.8
121.06604	2.1
123.04510	0.8
125.02461	1.1
126.03270	0.9
127.04028	0.8
139.04021	1.4
139.07632	3.5
154.71565	0.7
159.08493	2.2
226.64951	0.7
250.92786	0.9
267.26849	1.7
333.97574	0.7
337.31192	2.3
358.41174	0.8
391.17535	0.7
391.32306	1.0
407.35718	5.1
409.33267	22.7
410.33566	1.5
421.33411	1.0
451.34290	100.0
452.34650	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	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.5
60.01714	1.0
61.01818	2.4
61.98837	100.0
70.53623	2.3
71.01393	4.4
73.02945	1.9
82.81278	0.7
85.02955	2.0
89.02465	4.0
94.26678	0.7
101.02449	5.7
103.04039	0.9
113.02484	1.3
119.03521	2.0
129.92744	0.7
131.03583	0.9
161.04597	1.3
161.44159	0.8
163.06128	4.5
195.06635	0.7
209.31071	0.7
220.14284	0.8
247.11943	2.0
331.48932	0.7
350.58585	0.8
369.63467	0.7
392.23135	1.6
393.17703	7.8
453.19183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96439	0.2
69.51600	1.3
78.95909	20.1
96.96921	0.2
113.46923	0.2
122.00125	0.8
122.98526	0.2
125.87337	0.4
134.98521	0.2
140.00102	0.3
140.01202	5.1
152.99579	1.7
154.99904	0.2
157.86267	0.2
196.03806	9.8
197.04208	0.2
214.04849	1.9
237.22214	0.2
255.23306	100.0
256.23669	6.6
256.26385	0.3
265.44760	0.2
427.61395	0.2
452.27805	25.9
453.28036	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	453.014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26804	0.9
59.01379	1.7
61.15123	0.9
61.98814	1.2
71.01376	1.6
71.55407	1.1
78.95864	0.9
79.95712	1.5
81.95335	1.5
85.02960	1.3
96.96023	62.3
97.95952	2.0
98.95592	83.1
98.96423	14.3
99.92593	29.3
100.92603	1.0
100.93349	1.8
115.92089	44.1
116.92107	2.0
116.92880	3.2
128.06570	0.9
133.02901	2.3
134.00645	1.0
134.03743	5.4
135.04547	11.5
136.04840	1.2
146.54298	1.0
156.07590	1.0
159.73033	0.9
161.02411	1.8
179.03508	9.2
191.05594	2.9
193.06067	3.2
215.95314	1.2
216.95921	4.7
217.96791	12.7
218.97554	39.8
219.94691	1.3
219.97672	2.9
221.96336	1.4
244.95435	3.3
261.95776	2.7
262.96542	100.0
263.96603	9.2
307.08292	3.1
309.11847	2.1
355.09189	2.6
373.00241	10.3
391.01276	39.3
392.01489	5.7
453.06281	2.0
454.03442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.9
56.40942	0.4
57.03451	3.7
58.00604	2.0
59.01384	49.5
60.01731	0.6
65.47219	0.3
69.03458	1.7
71.01387	51.9
71.56771	0.5
71.57178	0.4
72.01730	0.6
72.99304	3.0
73.02951	25.5
75.00880	0.8
83.01392	21.1
84.01730	0.5
85.02955	30.2
86.00090	2.4
86.03287	0.6
87.00877	3.2
89.02455	7.0
95.01395	3.4
96.96002	0.5
97.02954	2.8
99.00890	9.6
99.04561	0.5
101.02451	67.5
102.02800	0.6
103.04037	3.1
111.00872	1.6
113.02460	19.6
114.02795	0.6
115.04005	0.9
117.01968	0.6
119.03519	1.7
125.02463	3.2
127.04036	0.7
129.01941	1.3
131.03499	0.9
141.01967	0.6
141.12860	0.8
143.03497	3.3
145.05075	1.4
157.21974	0.4
159.03004	4.4
161.04565	23.5
162.04823	0.6
163.06136	1.9
205.03532	1.1
213.14952	0.5
229.07175	1.3
240.83397	0.4
247.08253	1.3
251.95178	0.4
291.43924	0.4
305.19702	100.0
306.20068	7.2
319.21246	1.1
349.18713	1.1
451.25504	28.4
452.25830	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	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
58.02976	0.3
59.01387	5.4
59.62489	0.1
61.98824	1.3
68.64444	0.1
69.25321	0.5
69.25746	1.1
71.01019	0.2
71.01397	2.4
73.02952	0.8
75.00874	0.2
78.95919	0.2
79.95816	0.2
80.05055	0.3
81.03462	7.6
83.01407	0.3
83.05034	22.4
84.05367	0.4
85.02945	0.9
87.00893	0.5
89.02455	1.9
93.03476	0.6
93.95704	0.2
95.01431	0.2
99.00922	0.2
100.07679	0.3
101.02447	2.1
107.06159	0.7
107.06827	0.2
108.04570	0.6
109.02956	0.2
113.02457	0.7
119.03526	0.4
123.00912	0.3
125.02431	0.4
125.07210	2.4
126.05633	0.4
131.03465	0.3
135.04564	0.3
143.08263	1.6
149.04573	0.5
151.00301	0.2
153.01920	0.2
161.04625	0.5
173.04572	0.4
177.01932	0.5
179.05702	0.2
185.05870	0.2
191.05644	1.4
192.05946	0.5
192.76891	0.2
193.06030	0.7
207.15050	3.2
208.13474	0.2
209.11566	0.2
213.09210	0.4
224.17711	4.3
225.16100	11.7
226.16432	0.6
231.10440	0.2
232.10428	0.2
242.18730	1.4
250.15508	0.2
258.08401	0.2
259.08670	0.2
268.16705	0.3
269.13821	0.3
270.14246	0.3
271.06021	0.2
271.14590	0.7
275.09116	0.2
277.10593	0.3
290.22229	0.3
307.24048	0.2
309.21817	0.5
319.17825	0.5
324.26529	1.6
333.22980	3.9
333.26892	0.2
339.27655	0.3
350.24298	0.2
351.24042	0.7
367.27130	1.3
368.27499	0.3
391.23334	0.7
433.31854	5.6
434.32117	0.6
451.21765	3.6
451.32907	100.0
452.33224	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	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27449	0.3
51.46329	0.3
51.46790	0.3
55.01878	0.4
57.03448	1.2
59.01384	100.0
59.77082	0.4
60.01717	1.1
61.98832	5.3
64.63139	0.3
69.47850	1.9
69.48257	0.7
71.01385	9.9
72.99316	0.9
73.02945	2.1
83.01421	1.2
85.02947	3.9
87.00902	0.8
89.02448	8.6
95.01421	0.9
96.96053	0.6
97.06650	0.5
99.00888	0.9
99.04562	1.0
101.02447	8.2
113.02459	4.7
119.03512	4.2
125.02465	0.9
131.03564	0.4
143.03558	1.2
149.04614	0.5
153.01984	0.4
159.02983	0.4
161.04596	5.3
166.02734	0.6
170.02736	0.3
173.04628	0.6
179.05563	2.1
191.05647	1.2
192.06010	0.4
275.09418	0.5
305.87180	0.4
391.19849	15.4
391.23706	10.1
392.20081	1.2
392.24301	1.0
451.22137	1.9
451.29510	1.1
452.29889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.5
57.03455	7.4
58.00595	4.8
59.01385	96.5
60.01719	0.8
68.56365	0.6
68.99815	1.0
69.03464	2.5
70.60452	1.8
71.01389	100.0
72.01723	1.5
72.99317	5.6
73.02953	29.1
74.03297	0.6
75.00884	1.4
81.03484	1.0
83.01392	22.1
85.02961	42.7
86.00108	2.2
87.00882	5.5
89.02454	58.7
90.02780	0.9
95.01385	4.0
97.02956	3.9
99.00903	12.6
101.02453	87.1
102.02786	2.3
111.00896	9.4
113.02460	28.7
115.04022	2.4
119.03530	2.1
125.02460	6.7
129.01947	2.1
129.85652	0.6
131.03523	37.5
137.02501	0.7
141.01872	0.8
143.03496	6.3
149.03383	0.9
149.04576	15.6
149.28723	0.6
155.14432	0.7
158.61832	0.7
159.02992	4.4
161.04573	21.9
166.11768	0.6
191.05655	1.9
203.05620	0.7
215.05623	2.4
218.66771	0.6
233.06670	7.2
251.44286	0.7
293.08783	0.8
301.20245	0.8
319.21262	98.3
320.21613	8.4
320.55469	0.6
363.20074	1.0
372.87256	0.6
447.85818	0.6
451.25488	71.0
452.25885	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	451.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86549	8.7
59.01382	100.0
59.89646	8.5
61.98589	8.4
61.98836	72.0
69.39577	14.3
69.39984	60.5
70.54980	9.2
71.01379	61.2
73.02950	23.2
85.02966	16.9
89.02449	79.7
98.19884	18.2
99.00853	16.7
101.02432	37.6
113.02402	19.7
119.03458	19.5
131.03566	9.7
149.04506	26.2
164.26204	8.9
170.89909	8.5
187.40239	10.8
191.05588	22.5
199.00520	8.8
289.20407	14.9
415.15912	38.1
451.13538	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	451.2121
Annotation	Lespeflorin G3
Peak:m/z	Relative Intensity
53.55094	10.3
59.01389	75.4
61.98836	17.6
62.33521	11.4
69.50554	23.0
69.50960	56.3
71.01400	54.1
73.02925	13.1
75.38820	11.8
85.02945	29.5
87.00883	12.3
89.02457	22.9
93.03460	45.3
98.20675	12.4
101.02441	34.6
113.02462	15.1
133.02963	12.5
134.03787	15.0
158.81032	10.6
173.04547	30.0
191.05573	21.3
231.10130	11.8
275.09244	18.6
276.09653	16.0
277.09778	37.5
451.16025	14.4
451.20880	100.0
451.25620	10.5
451.29468	20.4
452.20908	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	451.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43090	0.5
59.01381	2.6
61.98837	0.7
70.68935	1.1
71.01388	1.3
74.62170	0.4
78.95917	3.3
79.95736	1.1
85.02954	5.1
87.00879	1.5
89.02454	1.0
93.03458	2.2
96.96022	46.9
96.96928	4.1
97.02975	0.3
98.95597	0.4
101.02451	0.8
109.02969	0.6
111.04527	0.8
113.02444	0.7
116.92914	0.4
119.90587	0.4
127.04012	1.5
135.04558	3.0
151.15889	0.4
161.02504	1.9
173.04568	2.4
179.03510	2.9
184.97772	0.5
191.05630	100.0
192.05995	3.3
202.98817	0.7
216.98129	0.8
228.82037	0.3
234.99277	0.8
239.29375	0.4
248.97250	0.8
277.00122	0.5
283.65057	0.4
289.02490	1.0
353.08780	18.3
354.09082	1.2
451.05420	3.0
452.05896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
68.41808	0.4
69.74873	0.4
71.04391	0.8
71.04728	0.6
78.95901	0.8
79.95741	1.7
85.02950	4.1
87.00906	0.7
91.14658	0.4
93.03465	1.7
96.96021	100.0
105.29603	0.5
109.02991	0.6
111.04519	0.8
124.31927	0.4
127.04016	1.7
133.02986	0.9
135.04576	0.8
161.02440	1.1
173.04617	0.9
179.03453	0.7
191.05626	82.7
192.05968	2.5
240.74229	0.4
260.97089	0.7
353.08780	13.6
354.08914	1.1
389.40125	0.5
451.05740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55131	0.5
58.57220	0.5
59.01384	0.6
63.02852	0.6
70.20590	1.8
73.94469	0.6
78.95892	1.2
81.11081	0.5
83.97245	0.5
85.02963	4.9
87.00880	1.5
93.03464	2.3
96.96016	22.6
96.96980	2.3
105.57111	0.5
109.02930	0.7
111.04474	0.6
127.03995	2.2
133.02943	0.7
134.03764	0.8
135.04538	9.0
136.51431	0.6
143.02892	0.5
155.03526	0.6
161.02458	2.0
173.04596	4.1
179.03519	7.6
191.05621	100.0
192.06044	3.8
242.92863	0.5
353.08701	22.6
354.09198	1.7
410.25497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	1.1
67.92223	0.4
68.13332	0.3
70.29131	1.7
78.95910	1.2
79.95751	1.9
85.02959	4.3
87.00900	0.8
93.03480	2.0
96.25330	0.4
96.96023	93.6
101.47672	0.4
111.04486	0.4
116.22119	0.4
127.04011	1.0
135.04555	0.5
137.02382	0.4
161.02443	1.6
171.03110	0.5
173.04578	1.0
179.03497	1.0
191.05635	100.0
192.05980	3.0
210.99236	0.4
216.98236	0.7
240.40907	0.4
260.97354	0.4
289.02484	0.9
296.30286	0.4
353.08768	13.7
354.09161	1.2
393.27563	0.4
451.05597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35349	1.1
58.00587	2.4
59.01386	74.7
60.01727	10.7
60.99287	1.2
63.37424	1.1
69.45522	2.6
69.45927	7.4
71.01385	18.1
72.01732	2.1
72.99336	1.3
78.99960	1.2
83.01369	1.3
83.05034	1.4
85.02962	4.6
86.11880	1.1
87.00850	1.1
89.02457	14.5
90.02774	2.5
99.04527	8.3
100.04858	3.0
101.02441	6.7
101.48353	1.1
108.35062	1.1
113.02451	3.5
119.03513	3.9
139.02286	1.3
165.12811	1.4
166.13177	2.4
204.76082	1.2
207.13770	2.4
208.14267	5.0
209.11844	11.1
210.12181	13.8
225.14964	5.1
226.15265	7.9
251.12804	2.5
252.13287	3.0
269.13956	32.3
270.14307	73.8
271.14499	2.1
321.08923	1.1
363.14984	1.2
376.12006	1.3
450.20663	100.0
451.20905	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	451.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60260	0.4
71.32049	0.7
73.28470	0.3
78.95872	0.4
79.95746	2.2
81.84594	0.4
85.02959	0.6
96.96019	100.0
98.95547	0.4
99.84581	0.3
134.03780	0.5
135.04526	3.1
157.44678	0.4
161.02461	0.5
173.04492	0.5
177.53265	0.4
179.03520	3.1
184.97765	0.4
191.05630	9.5
229.33330	0.3
232.97520	0.4
248.97290	0.8
257.89771	0.3
260.97183	0.5
321.94733	0.3
353.08795	4.5
355.74573	0.3
409.04849	0.4
451.05719	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	451.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51243	0.2
59.01386	2.4
67.29334	0.2
71.01389	1.8
71.04987	0.2
73.02947	0.3
79.95737	1.5
85.02954	1.1
87.00880	0.3
89.02439	0.9
93.03459	2.1
96.96019	100.0
97.95964	0.4
98.95589	0.2
101.02448	1.1
111.04520	0.7
113.02480	0.5
115.04003	0.7
115.92056	0.4
119.03476	0.5
133.02951	0.3
135.04535	4.8
137.02449	0.4
143.03535	0.2
155.03511	0.4
161.02480	0.5
161.04625	0.3
173.04570	7.3
179.03517	5.4
180.03920	0.4
191.05624	6.9
195.06676	0.3
202.98900	0.3
216.98131	0.4
234.99258	0.8
248.93251	0.2
248.97241	0.7
271.15543	0.7
277.00339	0.4
353.08786	6.4
354.09207	0.6
357.59119	0.2
391.03473	0.6
409.04529	0.5
448.74533	0.3
451.05353	1.1
451.12085	0.2
451.22202	3.2
452.23114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
60.01716	0.4
61.01811	0.4
61.98835	100.0
71.01395	2.3
73.02950	0.3
85.02979	1.0
89.02470	1.8
92.90306	0.3
93.03497	0.5
94.03804	0.3
94.45982	0.2
95.20966	0.3
101.02467	1.9
113.02446	0.7
118.10818	0.3
119.03539	1.0
159.04341	0.3
161.02486	0.4
161.04601	1.0
173.04575	0.4
179.05681	0.4
182.44270	0.3
187.07695	0.3
188.08076	0.3
191.05673	1.5
192.05954	0.8
240.42345	0.3
275.09302	0.4
276.09671	1.2
390.21713	0.4
391.23669	1.8
451.25546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.6
59.01387	5.5
61.98836	100.0
71.01395	1.7
73.02962	0.3
85.02953	0.6
89.02464	1.3
93.03491	0.5
94.03792	0.3
101.02470	1.1
113.02469	0.6
119.03477	0.5
161.04623	0.7
173.04591	0.5
179.05734	0.4
187.07761	0.5
188.08009	0.5
191.05678	1.5
192.05984	0.9
193.69423	0.4
227.15782	0.4
232.10570	0.5
239.84547	0.3
275.09311	1.0
276.09665	1.1
280.55276	0.3
282.47672	0.4
289.20300	0.4
367.17517	0.4
375.29153	0.4
391.23651	0.8
451.25897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01387	27.9
59.06823	0.8
60.01718	2.5
61.01799	2.0
61.98838	100.0
64.06293	1.0
69.50336	0.7
69.65607	0.8
71.01407	6.1
71.56217	1.5
73.02958	1.6
79.89217	0.8
83.01392	0.9
85.02953	2.4
89.02451	4.2
89.33110	0.9
93.03439	1.1
96.96025	3.4
101.02448	5.5
103.58255	0.8
109.02917	1.1
112.14153	0.8
113.02462	3.2
115.04036	3.0
115.59106	0.8
119.03475	2.3
125.02480	1.0
137.02444	1.7
143.03522	1.3
151.06355	0.8
159.06659	1.2
161.04575	2.2
177.01950	2.3
178.02321	1.3
191.05653	3.9
193.93182	1.0
207.13997	0.8
288.05942	1.0
296.20731	1.1
329.56876	0.9
390.22119	1.3
433.21109	1.1
451.21878	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.3
59.01375	0.5
70.59476	0.2
70.97213	0.3
70.97558	0.4
83.01392	0.7
85.59309	0.2
125.02457	100.0
126.02792	3.2
126.30231	0.2
154.08376	0.2
189.51108	0.2
195.07065	0.2
243.80910	0.2
262.67697	0.2
279.23401	0.3
280.13513	0.2
350.37720	0.2
354.49612	0.2
449.25549	1.5
449.32050	2.0
450.26108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3043
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
59.01381	2.3
70.11948	4.3
73.09064	1.4
85.02964	1.4
89.02454	100.0
111.80766	1.2
112.04319	1.3
118.14794	1.6
137.06102	8.5
137.09639	1.4
143.86609	1.3
168.50293	1.2
178.06645	1.4
193.67358	1.2
218.19328	1.3
255.23369	1.5
298.97009	1.3
405.33810	3.1
449.32257	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
60.01716	0.4
61.01811	0.4
61.98835	100.0
71.01395	2.3
73.02950	0.3
85.02979	1.0
89.02470	1.8
92.90306	0.3
93.03497	0.5
94.03804	0.3
94.45982	0.2
95.20966	0.3
101.02467	1.9
113.02446	0.7
118.10818	0.3
119.03539	1.0
159.04341	0.3
161.02486	0.4
161.04601	1.0
173.04575	0.4
179.05681	0.4
182.44270	0.3
187.07695	0.3
188.08076	0.3
191.05673	1.5
192.05954	0.8
240.42345	0.3
275.09302	0.4
276.09671	1.2
390.21713	0.4
391.23669	1.8
451.25546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01385	100.0
60.01728	1.2
61.01806	0.9
61.07090	0.6
61.98837	24.7
67.01914	1.4
69.03470	0.9
69.78625	0.6
71.01389	17.6
71.26214	0.6
72.99326	1.6
73.02941	4.3
78.45216	0.6
81.03463	1.5
83.01402	1.7
83.05045	2.8
83.29903	0.7
85.02953	8.8
87.00888	4.0
88.49650	0.6
89.02455	14.3
93.03472	11.7
93.78592	0.7
95.01415	1.1
97.02939	0.8
98.20673	1.8
99.00893	1.4
99.11944	0.7
101.02443	10.3
102.04922	0.6
107.01418	1.1
109.02982	1.2
111.04531	3.8
113.02455	6.7
115.04026	0.7
119.03532	4.8
119.05048	0.7
119.13491	0.6
122.17587	0.7
123.00916	1.0
125.02483	3.3
127.04043	1.9
129.01872	0.7
131.03545	1.8
133.03018	0.8
134.03822	0.8
135.04527	4.8
137.02464	1.4
138.03239	0.9
143.03520	1.0
145.02991	0.7
145.10828	0.7
146.03708	1.2
147.04568	0.8
148.05368	0.8
149.04599	3.1
151.00401	4.5
153.05620	2.4
155.03508	3.4
155.10811	1.4
158.03749	7.1
159.03198	1.6
159.04520	11.6
161.02490	2.0
161.04587	9.1
171.06712	0.8
172.05278	1.5
173.04610	13.2
173.06133	5.9
174.06880	3.2
175.07626	3.0
179.03525	0.9
179.05598	4.0
187.04079	2.9
187.05962	1.5
187.07651	28.9
188.08134	2.0
191.05623	44.5
192.06000	1.8
201.05644	2.4
202.06360	5.7
203.10797	7.9
213.05566	0.7
213.09215	2.0
215.07225	2.0
216.07814	0.7
225.04144	0.9
227.16594	3.2
229.01674	1.2
231.10275	13.4
243.06796	1.1
257.08218	4.7
269.04694	0.8
275.09274	76.9
275.18915	1.4
276.09647	3.9
287.05679	4.4
353.08746	0.7
356.90750	0.7
389.17648	1.3
389.21912	9.2
433.21466	0.8
449.14841	7.4
449.20190	2.7
449.24908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	56.8
69.33269	9.6
69.33666	2.3
71.01392	13.2
81.26771	1.1
85.02944	3.0
86.33922	1.3
89.02445	14.4
98.19930	1.9
99.04543	6.7
99.13081	1.3
101.02446	5.5
101.56261	1.7
113.02476	4.3
114.34682	1.2
119.03502	5.3
129.22211	1.1
145.99202	1.4
148.09239	1.2
165.12856	2.8
179.05534	1.4
189.12892	1.5
191.05615	1.4
192.97945	1.2
207.13951	7.4
209.11874	19.7
225.14966	11.8
251.12943	5.9
269.13947	100.0
270.14267	8.7
293.72800	1.2
406.57605	1.5
449.20303	82.4
450.20703	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
61.98820	0.3
62.74577	0.2
62.96410	0.4
78.95910	55.7
87.48447	0.2
93.03487	1.2
96.96048	1.3
96.96970	6.5
125.02449	0.4
132.77351	0.2
134.03706	0.3
150.98055	1.7
152.99596	100.0
153.99937	1.1
171.00648	4.7
173.04559	0.5
191.05692	0.7
195.13875	0.3
229.49071	0.2
275.09210	0.5
277.21878	0.3
295.22836	0.7
405.32968	0.8
449.23181	12.6
449.31906	4.7
450.23517	1.2
450.32306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2313
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
50.52067	0.3
52.51107	0.3
54.44902	0.3
59.01387	1.7
64.49753	0.3
64.64021	0.3
78.95911	75.7
79.82825	0.3
80.96349	0.3
88.21525	0.3
93.03469	1.2
96.96040	0.5
96.96336	0.5
96.96970	6.5
116.08630	0.3
125.02453	1.0
135.04582	0.4
150.98024	1.9
152.99597	100.0
153.99924	2.0
155.00024	1.1
162.03271	0.3
171.00648	2.9
173.04460	0.7
191.05649	0.6
195.13872	0.4
205.21317	0.4
259.62415	0.3
277.21695	0.5
295.22818	1.3
431.31772	0.8
438.86926	0.3
449.23117	22.5
449.32901	2.6
450.23453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.0
59.01385	100.0
60.01731	1.2
69.03465	1.4
71.01391	12.4
71.54815	1.2
72.99308	2.7
73.02961	2.2
78.95929	2.5
81.90543	0.7
83.01440	0.8
83.14948	0.7
85.02934	3.3
87.00922	0.9
89.02448	13.3
89.02947	1.0
93.03455	0.8
95.01404	1.2
96.96019	8.4
96.96950	4.7
97.02985	2.3
101.02439	9.6
105.50730	0.6
109.02948	0.9
113.02461	5.1
119.03521	6.2
119.05102	0.6
123.04521	0.7
125.02453	8.0
127.03970	0.7
131.03505	1.4
133.03024	0.8
137.02475	4.8
143.03549	1.3
149.02409	4.3
150.03160	0.8
155.03552	0.8
161.04597	2.8
164.04819	6.7
167.03522	0.9
173.04578	1.1
179.03574	1.2
179.05649	2.9
179.07106	16.1
179.08597	1.0
180.07614	1.1
182.80472	0.6
191.05624	1.5
194.05827	0.8
221.06728	2.8
227.09254	9.0
245.06938	1.0
263.07761	1.1
288.25861	0.8
323.09961	3.0
449.11484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01387	8.0
61.98831	0.7
67.01897	0.6
67.09641	0.3
69.03467	0.6
69.58385	0.9
69.58794	1.3
71.01382	2.9
73.02939	0.5
75.00874	2.9
75.73607	0.4
78.95914	0.5
81.03452	0.7
82.98614	0.3
83.05042	0.7
85.02954	9.1
87.00878	2.8
89.02427	1.7
93.03469	6.3
94.03801	0.3
99.04517	0.7
101.02448	1.6
109.02953	1.0
111.04537	1.7
113.02459	1.3
127.04027	2.7
127.07722	0.4
133.02975	0.7
134.03764	0.9
135.04530	0.8
137.02432	0.5
153.01947	0.3
155.03516	0.7
160.52374	0.3
167.03476	0.5
171.02939	0.4
172.05341	1.3
173.04565	5.2
173.05956	0.4
174.06816	0.4
187.07668	8.9
188.07898	0.4
191.05624	100.0
192.05951	3.8
199.04045	0.9
200.04716	0.4
202.06276	0.6
203.10764	0.6
209.11771	0.7
213.09224	1.5
215.07082	1.2
227.03510	0.7
228.04291	1.0
229.08728	1.1
231.10252	4.3
257.08194	9.1
258.08557	0.8
269.13937	2.9
275.09250	8.7
276.09775	0.6
354.20972	0.4
372.46954	0.4
389.21906	0.4
422.06387	0.3
449.14505	2.7
449.20328	2.7
449.27545	1.0
449.55228	0.4
450.20511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03452	1.3
59.01394	7.0
60.99288	1.5
63.02399	1.4
65.00327	8.4
65.03970	0.7
67.01911	3.3
67.02196	0.6
69.32684	4.7
69.68130	0.6
71.01386	2.8
73.02979	1.4
81.03461	0.9
83.01392	4.5
83.05031	1.1
85.02965	2.4
87.00874	3.9
89.02439	0.9
93.03468	27.3
101.02476	1.3
105.03461	3.6
107.01402	19.3
109.02962	2.3
111.04533	5.0
113.02505	0.8
117.03483	1.2
119.03531	0.9
125.02464	4.9
125.05738	0.7
126.01601	0.6
133.02977	8.9
134.03758	18.3
135.04541	71.9
136.04860	3.3
137.02449	1.7
151.00385	100.0
152.00708	3.3
155.03526	2.9
159.04555	0.8
161.02423	2.5
162.03239	4.6
164.69589	0.6
165.01950	1.0
166.44699	0.7
173.04585	23.8
174.06848	0.9
177.01967	2.6
178.02786	3.0
187.07678	2.1
191.05647	13.1
191.85622	0.6
192.66750	0.6
203.10878	1.1
209.69987	0.7
213.09286	2.1
231.07950	1.3
231.10277	20.7
232.10677	1.8
243.06708	0.9
257.08228	4.0
269.04596	1.6
275.09271	46.8
276.09601	3.3
287.05634	82.7
288.05960	6.7
449.10678	7.9
449.14981	6.3
449.23911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.00624	0.5
55.51994	0.5
56.04542	0.4
56.85136	0.4
59.01384	4.7
61.98867	0.5
63.02410	1.3
65.00330	10.0
67.01910	1.1
69.03461	0.9
71.01392	2.3
71.05050	0.5
73.02969	1.0
81.03468	0.6
83.01390	5.1
85.02985	1.4
87.00895	2.7
89.02478	0.6
91.05582	0.4
93.03469	12.0
95.12827	0.5
96.08220	0.6
97.01697	0.9
97.06599	0.7
98.20645	1.4
99.04478	0.5
100.71255	0.5
101.02480	2.0
105.03508	1.3
106.44668	0.4
107.01397	16.2
108.02231	0.6
108.99310	0.6
109.02985	1.5
109.05325	0.9
110.06091	0.5
111.04508	2.5
113.02492	1.1
120.08161	1.1
124.07696	15.2
125.02444	4.2
125.07984	0.6
127.04034	0.6
133.03000	4.3
134.03749	8.8
135.04535	75.1
136.01685	0.7
136.04877	2.1
137.02495	1.0
138.05640	0.5
151.00378	100.0
152.00769	3.2
155.03450	0.8
161.02437	1.6
162.03261	2.2
162.05602	0.7
164.01228	0.6
173.04564	11.2
177.01967	1.5
179.03357	0.5
187.04004	0.5
187.07645	0.5
191.05615	8.7
196.00179	0.5
200.62628	0.5
231.10281	8.4
232.10522	0.6
243.02991	0.7
243.15053	2.1
244.03273	0.6
257.08133	1.5
269.04446	0.9
275.09256	22.8
276.09567	1.1
285.04010	0.6
287.05634	71.0
287.14029	26.8
288.02963	0.7
288.05960	5.0
288.14365	2.0
297.09756	1.6
301.15518	1.6
316.04797	0.7
329.15036	2.2
350.34885	0.5
352.40283	0.5
389.21402	0.6
449.10495	22.6
449.27597	4.5
450.11026	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12103	0.9
59.01385	79.3
60.01722	6.6
60.48539	1.0
61.98836	100.0
68.87103	0.9
69.21143	0.9
71.01388	15.8
71.05019	1.2
72.99299	1.3
85.02964	4.3
89.02454	21.0
90.02790	2.9
93.03475	2.0
95.00206	0.9
95.01365	1.5
99.04521	2.2
101.02457	8.5
102.18592	1.1
111.04492	2.0
113.02478	6.2
115.04031	4.8
116.61303	1.0
119.03521	7.1
120.03894	1.1
125.02452	2.3
129.05557	1.7
131.03546	1.4
133.02933	1.2
135.00932	1.4
135.04549	2.2
149.04628	1.3
155.03548	1.4
158.03723	3.0
159.04530	4.5
161.02470	4.1
161.04567	2.7
162.04953	1.6
169.43036	1.2
172.05368	1.5
173.04552	4.9
173.05951	1.9
179.05669	6.4
180.05923	1.7
187.04050	1.8
187.07616	11.0
191.05603	8.6
201.05554	1.5
202.06337	2.3
203.10776	4.0
206.12793	1.2
224.13715	1.2
231.10286	5.8
243.34120	1.0
253.21716	1.2
259.06143	1.2
267.12411	2.4
268.12646	5.7
275.09253	33.0
282.69934	1.0
295.04385	1.0
352.89899	1.1
378.90536	1.0
388.20490	1.7
448.18765	2.5
449.14673	2.3
449.20306	4.0
469.99936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99179	0.4
59.01390	8.2
60.01729	1.1
61.98839	100.0
69.64127	1.1
69.64566	1.3
71.01405	0.9
76.08727	0.4
89.02449	0.7
92.44419	0.3
101.02473	0.6
113.02515	0.4
160.49457	0.4
161.04666	0.5
179.14378	0.4
199.34378	0.4
219.71968	0.4
274.54163	0.4
275.09357	0.9
333.84940	0.4
388.19467	0.5
474.80814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.312
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
56.02321	0.4
57.03447	0.5
59.01384	8.2
60.42480	0.4
61.98826	0.7
69.03458	0.7
69.77898	2.1
71.01381	1.0
71.05020	1.4
94.64468	0.4
145.43040	0.4
160.83069	0.5
161.04507	0.5
179.60754	0.5
202.44046	0.5
205.13443	0.6
276.14810	0.5
285.03912	0.6
327.05103	1.0
341.24756	2.4
355.26334	1.0
357.28036	2.5
367.26004	0.6
371.29581	0.8
383.29715	0.9
385.27225	2.2
399.28983	1.3
401.30554	2.7
419.31839	2.7
447.31168	100.0
448.31445	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	447.3483
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
59.01385	7.3
70.02128	0.7
71.01386	0.9
71.56790	1.1
78.95924	1.4
98.02438	0.6
98.73389	0.7
121.06602	9.4
123.04604	0.7
124.17069	0.8
133.00844	0.7
136.05296	2.9
148.05309	2.8
149.06093	100.0
150.06384	5.2
162.06914	2.4
163.07668	4.7
175.07631	3.2
176.37706	0.6
201.12256	0.7
279.23322	15.2
280.23660	1.3
297.88507	0.9
385.30966	1.1
432.32410	12.5
433.32925	2.7
445.75998	0.7
447.34943	74.9
448.35214	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	447.3119
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
55.19010	0.3
55.91072	0.3
59.01384	2.8
61.20926	0.3
68.26572	0.4
71.01379	1.5
71.05024	1.7
71.11031	0.6
72.09634	0.4
82.90954	0.3
120.10867	0.4
125.02498	0.5
226.37151	0.4
288.62436	0.3
303.26868	0.7
308.87311	0.4
313.25409	0.6
315.26917	3.6
316.27560	0.4
327.05261	0.5
329.28333	0.7
331.30112	1.7
375.29095	9.0
376.29315	1.4
387.29135	1.3
403.32303	1.1
447.31146	100.0
448.31476	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	447.312
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
58.82013	0.3
59.01385	3.2
70.86200	0.7
71.01380	0.4
78.95909	7.7
96.96025	0.8
96.96970	1.0
100.63203	0.3
104.08711	0.3
135.74268	0.3
140.48727	0.3
141.26077	0.3
152.99602	11.2
170.69113	0.3
171.00713	0.5
195.27010	0.3
207.54678	0.3
225.15237	0.3
285.04132	0.3
347.05057	0.3
357.27863	0.4
385.31091	1.0
403.32172	25.4
404.32492	3.3
429.30112	1.2
447.31186	100.0
448.31528	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.4
59.33965	5.6
69.39652	45.8
73.46058	4.6
87.00889	100.0
90.66675	5.7
124.34556	5.0
125.20090	4.8
129.89322	5.0
135.70882	5.6
137.02321	6.4
183.18019	5.0
321.79510	5.5
381.44235	6.4
447.30527	11.5
447.35767	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
57.03460	4.2
58.00590	2.1
59.01385	44.6
66.70499	0.7
69.03470	1.4
69.34889	1.5
69.35301	5.3
71.01388	90.3
72.01718	0.8
72.99301	2.7
73.02953	31.3
74.03260	1.0
75.00873	2.2
81.03445	0.9
83.01392	9.7
85.02959	36.7
86.03315	1.1
87.00888	3.7
89.02452	32.8
95.01398	5.9
97.02959	4.0
99.00267	1.3
99.00889	16.7
101.02453	54.9
107.26472	0.6
111.00855	0.9
113.02457	30.6
115.04033	2.0
119.03520	3.6
119.08813	0.7
123.39945	0.8
125.02451	5.5
129.01947	1.6
131.03487	7.3
132.92421	0.7
143.03511	5.4
149.04575	8.0
159.03021	6.8
161.04575	48.2
162.04930	1.3
179.05650	1.3
191.05655	2.8
233.06673	4.0
245.83119	0.8
292.88815	0.8
293.08804	3.1
315.18137	40.8
316.18619	2.5
447.22363	100.0
448.22714	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17810	0.7
57.03434	0.8
59.01387	100.0
61.98823	5.1
69.77365	4.2
71.01389	19.0
73.02954	5.0
83.01382	2.2
85.02966	5.3
89.02454	11.6
98.32412	0.7
99.00897	2.0
99.04508	1.3
101.02448	11.9
113.02464	7.5
115.04015	2.0
116.24055	0.8
119.03505	3.9
125.02539	0.8
143.03535	1.0
146.87711	1.0
148.46231	0.7
159.03043	1.0
161.04573	14.0
161.13403	1.0
164.66682	0.9
179.05579	2.9
189.12875	1.2
204.09973	0.8
205.12381	1.2
223.13400	1.8
225.14932	0.9
263.06036	0.8
267.12372	2.5
285.03979	3.4
387.20279	11.7
388.20615	0.9
447.18188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01741	0.9
61.40680	0.5
61.98835	1.8
69.43217	4.3
71.01386	5.3
73.02975	1.4
83.01385	0.7
85.02963	1.9
89.02447	3.7
98.20635	1.1
101.02465	3.7
113.02471	2.3
119.03535	1.1
136.78049	0.6
161.04568	3.1
191.05640	1.1
387.20282	9.5
414.73801	0.8
447.22284	3.5
452.52814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.7
57.03451	5.2
58.00598	3.4
59.01385	78.9
60.01714	0.8
68.99822	0.5
69.03448	2.4
71.01387	100.0
72.01727	1.1
72.99323	4.4
73.02952	25.0
75.00877	1.3
81.03463	1.4
83.01392	12.2
84.02166	0.4
85.02959	33.1
86.00111	0.7
86.03312	0.7
87.00887	5.1
89.02452	56.0
90.02797	0.6
95.01406	4.8
95.47604	0.4
97.02966	3.8
98.19924	1.5
99.00887	10.6
101.02452	61.2
102.02802	1.3
109.02991	0.5
111.00891	6.9
111.04580	0.4
113.02458	28.8
114.02783	0.8
115.04027	1.6
119.03513	3.5
125.02462	6.7
127.04076	0.6
129.01942	1.6
131.03511	32.2
132.03835	0.9
141.01933	0.6
143.03502	5.2
145.91182	0.4
149.04561	17.5
151.03995	0.5
159.03006	4.1
161.04567	34.7
162.04915	1.2
191.05644	4.4
205.03490	0.5
215.05670	0.9
217.20030	0.4
233.06696	4.7
293.08896	2.4
306.70111	0.4
315.18127	28.9
316.18353	2.2
447.22363	49.3
448.22717	5.9
474.24341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71158	0.4
56.49493	0.4
57.03450	0.9
57.29527	0.5
58.00591	0.7
59.01384	100.0
60.01718	0.6
63.16068	0.5
69.31886	3.0
69.32301	1.0
71.01387	15.6
71.44035	0.4
72.99299	0.5
73.02950	2.3
83.01405	1.0
83.05037	0.5
85.02965	4.7
85.61358	0.5
89.02450	12.5
95.01394	0.7
96.96027	0.8
97.02959	0.9
99.00891	0.7
99.04520	0.5
101.02444	7.5
113.02448	5.3
115.03969	0.5
119.03520	4.5
123.08184	1.0
125.02500	0.8
131.03473	0.8
139.06294	0.4
143.03543	1.9
146.40118	0.5
149.04637	1.1
153.05605	0.6
153.09250	1.0
159.02969	0.6
161.04549	7.2
163.11244	0.6
179.05614	5.2
181.05066	3.5
189.12929	1.3
191.05707	1.7
196.07388	3.3
207.13869	2.4
211.09718	3.4
223.13573	1.0
225.15019	3.0
226.91153	0.5
267.12390	5.8
269.10446	1.6
356.15887	0.5
387.20285	2.5
401.14697	0.7
411.19046	0.6
447.23010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11208	1.8
53.74194	1.7
58.00613	2.2
58.08624	1.7
59.01384	63.9
61.98837	15.7
67.47150	1.6
69.03463	6.2
69.84197	4.2
69.84586	5.3
71.01389	59.8
73.02951	10.6
78.95889	2.8
81.03466	3.7
83.01385	4.4
85.02953	9.4
86.67506	2.1
87.00893	4.0
89.02453	100.0
90.02761	2.5
93.03514	2.0
95.01387	4.5
96.96967	3.8
97.02951	6.4
99.00888	14.5
101.02446	14.4
108.02187	17.3
108.54781	1.6
109.02957	4.4
111.00877	2.0
113.02473	11.5
113.92379	1.9
115.04019	5.6
119.03481	4.6
123.00900	18.2
123.04547	2.5
123.05423	1.8
125.02466	34.9
131.03513	7.7
136.06592	1.8
138.03246	18.1
138.05600	2.2
143.03488	2.2
149.04597	10.6
151.03975	2.7
153.01904	9.2
153.05518	4.6
161.04604	13.1
162.30760	1.8
179.05644	2.3
191.05676	8.9
233.06674	26.4
235.70013	2.0
271.08295	10.8
293.08777	25.0
326.49844	2.1
343.26340	1.9
347.47522	1.9
439.71228	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	447.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	8.9
70.02189	2.4
71.01395	1.0
78.95912	55.8
82.13740	0.4
96.96029	0.9
96.96972	7.5
101.02471	0.7
107.23396	0.5
114.97472	0.5
143.13290	0.5
150.98013	1.9
152.99603	100.0
153.99948	2.3
155.07108	3.6
156.87764	0.6
171.00624	3.9
184.28725	0.6
214.31834	0.5
242.94908	0.5
275.20148	1.1
284.03177	0.8
305.69687	0.5
311.22540	0.8
331.26779	0.6
375.29025	3.9
387.20578	0.6
438.24966	0.5
447.08466	0.8
447.14450	0.9
447.21625	11.2
447.31696	11.8
448.22009	1.7
448.31400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01385	9.2
61.98832	2.2
70.83830	0.5
71.01389	1.2
71.05033	0.7
71.56101	0.6
71.56516	0.8
78.95913	75.2
83.01421	0.6
86.18562	0.5
96.96032	3.9
96.96973	5.6
106.51724	0.7
113.09766	0.8
118.93689	0.5
125.02467	3.8
125.64144	0.5
150.10550	0.5
150.98045	1.3
152.99600	100.0
153.99940	1.6
161.02499	2.0
161.52817	0.5
171.00674	3.2
285.04144	1.3
293.21497	0.9
300.44656	0.6
341.24783	0.7
343.26086	0.7
354.11023	0.5
355.26657	0.7
357.28085	2.1
373.27545	0.7
375.29105	1.2
385.31509	1.3
390.11404	0.6
401.30807	1.9
403.32693	3.3
429.30417	1.0
447.21817	17.3
447.31363	36.8
448.22043	2.6
448.31635	4.2
461.82791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95400	0.3
53.03548	0.3
59.01384	3.9
61.98817	0.4
69.03481	0.4
69.20406	0.3
69.32610	0.8
69.33038	1.6
71.01376	0.5
71.05007	0.5
71.76346	0.3
72.99300	0.6
78.95911	56.3
83.07309	0.3
83.89920	0.3
87.00880	2.2
89.58265	0.3
96.96972	5.6
101.02426	0.4
115.04026	1.0
119.03609	0.3
121.29606	0.3
137.47176	0.3
150.98018	1.3
152.99599	100.0
153.99930	1.2
154.19073	0.3
171.00664	4.7
285.04044	0.4
293.21298	1.0
327.05069	0.4
341.25031	0.5
357.06140	0.4
357.28268	0.6
359.29361	0.5
385.27414	1.1
385.59549	0.3
399.29340	0.6
401.30737	1.2
403.32312	1.1
429.30334	0.5
447.21933	9.8
447.31229	37.6
448.22192	1.6
448.31580	4.3
449.73190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01234	0.5
58.00600	0.5
58.13495	0.5
59.01387	100.0
60.01728	1.1
69.47732	1.0
69.48143	2.8
71.01392	11.7
72.30645	0.4
72.99323	0.7
73.02941	2.9
74.86108	0.5
83.01422	1.5
85.02957	4.9
87.00901	1.6
89.02448	6.2
95.01421	0.8
97.65508	0.5
99.00922	0.9
101.02458	9.8
113.02463	5.6
119.03548	2.2
143.03561	0.9
159.03047	1.0
161.02519	0.8
161.04570	9.7
173.04565	0.6
179.03676	0.6
179.05681	1.7
191.05576	2.3
225.14955	2.7
229.08646	1.2
245.64044	0.5
267.12460	1.2
297.17126	0.6
387.20267	13.3
388.20743	1.2
447.22650	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93600	0.6
59.01387	100.0
60.01726	1.1
66.31075	0.5
69.39151	4.0
71.01390	9.1
72.99324	0.7
73.02959	0.6
85.02964	1.3
87.00867	0.6
89.02451	16.9
95.01453	0.6
96.96990	0.7
101.02473	3.4
110.62041	0.5
113.02467	5.3
113.03190	0.6
119.03518	5.3
121.17564	0.4
131.03546	0.8
143.03555	2.0
149.04636	0.7
161.04579	3.1
179.05630	9.8
213.96840	0.6
296.76276	0.5
325.92828	0.4
350.52383	0.5
444.43954	0.5
447.22552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42949	0.2
55.49886	0.2
59.01389	2.5
61.98840	0.2
62.96422	1.1
70.70279	0.5
71.01394	0.4
71.05031	0.4
78.95911	39.6
89.02437	0.3
96.96052	0.3
96.96977	2.9
101.02451	0.2
107.17436	0.2
113.02486	0.2
115.03977	0.2
125.02438	0.3
149.00105	18.2
150.00412	0.3
152.99614	1.2
158.92567	2.1
159.64990	0.2
161.04555	0.3
174.51437	0.2
179.01189	2.6
205.16031	1.4
211.05273	0.2
240.96783	0.2
264.70563	0.2
347.08078	0.5
367.16812	0.2
385.27060	0.2
385.31516	0.3
403.32230	0.4
417.12314	0.8
430.55243	0.2
431.10287	2.9
432.11038	0.3
447.13443	100.0
448.13812	9.4
448.31702	0.4
464.10120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.151
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
56.49541	0.3
59.01108	0.5
59.01384	3.9
69.03466	0.4
69.77805	1.3
69.78228	0.7
71.01387	3.3
73.02981	0.6
81.36693	0.3
89.02456	6.9
89.03011	0.4
89.56070	0.3
91.06590	0.3
91.82969	0.3
93.03431	0.3
95.05022	0.6
97.02963	0.5
99.00880	0.7
101.02470	1.1
115.04051	0.5
122.03753	1.2
123.04538	74.1
124.04832	2.7
125.02452	3.4
125.90604	0.4
131.03502	1.3
135.04541	4.8
142.51222	0.3
149.04581	1.3
153.05588	100.0
154.05931	3.2
161.04514	0.4
180.44243	0.3
191.05586	0.6
233.06682	4.1
234.06949	0.3
254.99606	0.3
293.08795	8.7
294.09195	0.4
344.77173	0.4
429.14401	0.5
447.15137	5.3
448.15164	0.7
458.89600	0.3
465.88184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00107	0.9
55.01871	1.6
57.03442	1.4
58.00598	4.7
59.01386	79.1
60.01691	1.1
61.98835	13.7
69.03461	6.4
69.54714	4.0
69.55124	2.3
71.01390	86.0
72.99301	4.1
73.02950	12.0
75.00860	4.0
81.03465	3.0
83.01408	5.4
85.02964	11.8
87.00882	3.1
89.02457	100.0
90.02763	1.3
92.98725	1.4
95.01390	5.1
96.96053	1.3
97.02960	14.2
98.19895	1.2
99.00892	18.1
99.04512	3.2
101.02448	18.3
105.67612	1.0
107.01419	1.4
111.00907	2.0
113.02475	11.9
115.04028	7.9
119.03493	3.1
123.00900	29.4
125.02464	47.3
126.02769	1.8
127.04007	2.8
131.03525	9.5
135.04543	1.0
138.03238	30.1
140.27324	1.1
143.03493	4.2
149.04572	15.0
151.00366	1.8
151.04028	4.3
152.01033	0.9
153.01929	9.7
153.04454	1.7
153.05531	6.9
161.04585	4.3
166.69891	1.0
179.05576	1.4
191.05618	8.2
215.44727	1.2
221.06610	1.3
233.06682	45.2
234.07047	1.6
236.83859	1.1
293.08813	35.8
294.09009	1.9
447.10681	1.8
447.15585	2.0
447.22141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84205	0.3
59.01389	2.4
61.35567	0.3
69.03493	0.4
69.98196	1.3
71.01392	1.5
72.51746	0.3
73.02949	0.3
76.66144	0.3
81.03448	0.4
89.02450	2.0
96.46612	0.3
108.02171	2.7
109.02963	77.6
110.03294	2.3
123.04548	0.9
125.02435	1.1
139.11430	0.3
149.35545	0.4
152.01134	0.9
153.01950	100.0
153.05342	1.9
154.02299	3.3
191.05640	0.5
201.23091	0.3
233.06786	0.7
293.08868	1.0
371.48206	0.3
447.11453	23.4
448.11624	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.13
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01394	2.4
61.98812	0.2
64.97286	0.2
65.00326	0.7
70.86478	0.4
71.01383	0.8
73.02943	0.3
77.03985	0.2
79.01943	0.2
80.02684	0.4
81.03442	0.3
84.92423	0.2
85.02995	0.4
91.01905	14.6
92.02240	0.4
93.03465	4.7
95.01405	0.6
101.02475	0.5
107.01405	0.5
107.05042	0.7
108.02188	18.0
109.02980	4.1
110.03368	0.2
113.02464	0.3
121.02962	0.6
123.00902	5.6
124.01667	0.6
135.00903	15.1
136.01256	0.2
137.02458	13.1
138.02798	0.4
152.01167	16.9
153.01567	0.6
161.04549	0.3
173.04559	0.3
191.05627	0.6
197.06078	1.4
199.07640	0.6
202.88007	0.2
213.05579	1.0
215.07152	0.8
225.05528	0.4
232.42975	0.2
232.45235	0.2
241.05103	0.3
243.06633	100.0
244.06967	6.9
276.56238	0.2
374.21991	0.2
382.27979	0.2
387.11032	0.5
405.11649	0.4
447.13101	3.7
447.25354	0.8
448.13190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65242	0.5
59.01385	8.9
61.98836	1.4
64.25145	0.5
65.00349	0.4
69.33739	1.5
69.34153	2.3
73.02945	0.6
85.02956	1.3
93.03469	1.5
98.19878	0.6
102.86935	0.4
107.01404	0.7
113.02441	0.6
137.02473	0.7
151.00383	2.5
153.01984	0.8
173.04532	1.1
174.03227	0.5
183.04491	1.4
185.06070	1.1
191.05641	8.1
211.04012	1.5
211.07640	0.6
225.14920	0.6
227.03511	69.2
228.03885	4.7
229.04967	1.8
229.08719	0.6
239.03421	0.9
255.02998	83.5
256.03598	12.1
284.03281	66.3
285.04001	24.6
286.04376	1.5
327.05130	1.6
447.09335	100.0
448.09723	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05764	0.3
56.50526	0.4
57.03450	0.6
59.01386	7.8
71.01385	0.7
73.02947	0.5
83.01384	0.5
83.65553	0.3
85.02946	0.4
89.02466	0.4
89.90604	0.4
95.01400	0.4
101.02467	0.9
107.01425	0.7
113.02531	0.5
125.02473	0.6
133.02989	0.7
151.00389	3.0
153.01997	0.4
160.64671	0.4
165.01988	0.4
171.04532	0.8
173.04562	0.6
175.04059	0.4
179.03491	0.6
183.04436	0.4
187.04066	0.5
191.05684	0.7
199.04031	4.0
201.01924	1.3
203.03519	0.5
215.03520	3.5
218.16884	0.4
226.02675	0.6
227.03520	4.7
229.01450	0.7
242.02213	9.2
243.02997	44.0
244.03346	2.6
255.02948	1.0
255.97188	0.4
257.04568	11.8
269.99393	0.3
270.01709	12.3
271.02493	42.4
272.02893	2.5
284.03360	0.5
285.04077	26.6
286.04758	7.9
299.02020	8.8
300.02621	4.2
301.03323	0.8
314.04349	51.4
315.04953	9.9
347.41888	0.4
357.06039	0.9
386.81421	0.4
447.09344	100.0
448.09665	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06206	0.5
53.24815	0.6
55.01889	0.5
57.03453	1.1
59.01386	22.6
61.98838	0.9
69.69290	1.4
69.69694	2.6
71.01385	3.5
73.02952	2.4
75.00864	0.8
85.02953	1.5
89.02460	1.6
93.03432	0.6
99.04529	0.7
101.02454	2.0
107.01385	0.9
108.54666	0.5
109.36417	0.5
113.02440	2.0
115.92084	0.8
120.95850	0.7
145.03009	0.5
151.00404	3.2
161.04578	1.5
171.04549	0.9
178.99828	0.7
191.05615	2.7
199.04008	3.1
201.01979	1.4
215.03526	2.9
225.01805	0.6
225.15077	0.8
226.02753	1.0
227.03531	3.1
229.10703	0.8
242.02196	9.2
243.02992	41.4
244.03395	1.9
255.03035	1.6
257.04529	11.7
258.04803	0.7
270.01715	12.0
271.02496	40.0
272.02841	2.4
285.04086	23.0
286.04770	8.4
299.02014	7.3
300.02722	8.9
301.03510	4.3
303.14700	0.6
314.04340	52.5
315.04956	8.7
334.01062	0.6
357.06018	0.7
387.20432	1.2
395.49405	0.8
447.09335	100.0
448.09644	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	445.3327
Annotation	Stylisterol B
Peak:m/z	Relative Intensity
59.01370	1.2
61.98899	0.4
62.69354	0.4
71.55666	0.4
96.96062	0.3
99.77135	0.3
133.06613	0.4
136.05327	3.0
150.06897	2.4
151.07672	0.8
156.61613	0.3
161.06081	0.8
164.04834	0.8
165.05574	0.7
179.07130	3.6
180.99721	0.3
193.15970	0.5
209.52129	0.4
216.82558	0.4
231.17480	0.6
243.86456	0.4
267.59009	0.4
381.27710	2.2
383.29538	9.1
384.29883	1.3
397.31006	2.9
399.32495	1.2
445.33157	100.0
446.33548	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	445.3325
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
57.03456	5.3
59.01382	3.6
61.98819	0.5
71.01397	1.7
73.10643	0.4
83.05054	0.9
85.02951	1.6
86.55807	0.5
89.02470	1.2
95.05048	0.6
96.96037	0.6
99.00925	2.6
121.02956	0.6
123.08172	0.5
125.09718	0.4
125.69427	0.5
160.84195	1.5
205.16049	0.4
244.09261	0.4
269.28323	0.5
333.28049	0.9
357.24359	2.4
373.27441	17.9
373.31985	1.2
374.27756	2.7
381.31668	0.7
383.29538	1.6
385.26907	0.9
385.31146	1.9
399.28473	0.7
401.30475	3.9
401.34607	22.8
402.34894	3.2
410.06839	0.6
427.32336	8.8
428.32141	0.9
445.28015	5.9
445.33905	100.0
446.34167	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82449	0.5
57.03455	1.4
59.01395	2.5
59.49951	0.6
61.71692	0.6
62.66603	0.5
71.54169	0.9
73.92738	0.5
83.05024	0.7
88.32684	0.7
120.18355	0.6
121.03001	0.9
181.21515	0.5
233.72331	0.7
329.28708	0.9
381.31998	2.3
383.29749	2.1
385.31653	1.2
399.33066	1.3
401.29764	1.0
401.34415	15.5
402.34906	1.7
403.87628	0.6
427.32874	1.0
445.33569	100.0
446.33817	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	446.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.5
59.01382	12.3
61.98835	100.0
69.03467	0.8
69.32011	3.0
69.32420	1.0
71.01385	12.1
72.99330	1.1
73.02957	1.8
79.09397	0.4
81.03476	1.3
83.01392	1.0
85.02959	2.0
89.02452	14.2
95.01426	0.5
97.02966	1.2
98.19935	0.9
99.00884	2.7
101.02438	3.3
109.02966	0.6
110.03284	0.6
111.00903	0.6
113.02467	1.4
114.58125	0.5
115.04049	1.3
117.14541	0.5
119.03522	0.8
123.00874	3.9
125.02465	7.4
127.04086	0.6
131.03508	1.9
134.03334	0.7
135.04568	3.6
136.04868	1.9
138.03229	3.6
138.05621	6.6
143.03497	0.8
149.04588	1.2
149.06036	0.5
151.04021	14.9
152.04356	9.8
153.01953	0.8
153.05623	0.7
161.02441	2.5
161.04581	0.7
162.02838	2.2
179.03554	1.5
180.03827	1.5
191.05696	1.6
209.08173	0.7
216.97130	0.5
233.06651	6.0
252.30370	0.5
293.08759	5.5
323.07782	1.3
345.66849	0.5
353.44742	0.5
383.10187	0.6
446.13785	7.9
446.18570	0.6
447.14392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76945	1.0
55.67410	0.9
57.03439	1.0
59.01384	100.0
61.98810	1.2
71.01369	2.4
71.05005	1.8
75.04752	1.1
75.12858	1.0
76.42152	1.0
78.76251	1.1
78.95876	4.3
96.96024	11.5
98.20680	3.9
102.54843	1.1
105.22733	0.9
110.19067	1.1
121.02881	2.0
149.00011	4.9
160.84087	1.1
183.85226	1.0
205.15976	5.7
331.27017	1.2
345.23730	1.1
347.21707	1.2
347.25885	1.1
355.16809	23.9
355.26178	1.6
356.16904	2.6
357.27695	3.3
383.29364	3.0
385.17886	12.9
401.30676	12.5
402.30756	1.6
427.28116	2.4
445.19464	1.7
445.29251	54.8
446.29633	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03450	3.4
59.01384	100.0
69.53725	2.7
69.54156	3.7
71.01389	26.8
73.02946	5.5
76.00707	1.0
83.01403	1.7
85.02954	10.6
87.00867	1.1
89.02447	6.7
93.03504	1.2
95.01403	1.6
99.00889	2.7
101.02449	16.5
104.13016	1.0
113.02450	10.9
113.06074	1.8
119.03520	2.2
125.41277	1.1
137.09683	1.4
143.03510	2.0
153.09187	3.1
159.02998	3.3
161.04570	20.6
165.09232	2.2
179.05573	1.2
183.69908	1.1
205.12369	4.1
223.13374	17.8
267.23837	1.1
385.18771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.296
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
52.09473	0.6
52.63453	0.6
59.01382	10.0
71.01409	1.0
72.99320	0.7
73.02943	0.7
78.01609	0.6
78.95911	2.9
94.11534	0.7
96.96022	2.0
97.06602	13.7
98.06939	0.5
98.19759	1.0
99.96720	0.7
101.02477	0.6
119.72420	0.6
121.02943	0.7
152.99583	3.8
153.09314	0.6
193.49635	0.6
313.23969	0.9
331.24899	1.1
339.26959	1.0
383.29712	1.0
401.30627	47.0
402.30963	5.8
415.28745	1.0
427.28568	0.9
435.61420	0.7
445.29630	100.0
446.29993	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	445.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01389	0.5
70.10333	0.8
70.10667	0.2
80.00301	0.2
80.00774	0.2
98.20563	0.3
119.05581	0.2
125.02448	0.8
129.39679	0.2
135.07939	0.2
137.09822	0.2
141.68738	0.2
145.83189	0.2
153.12518	0.2
162.89308	0.3
171.31073	0.2
180.53157	0.2
231.17647	0.3
365.28256	0.4
368.30304	0.3
381.27826	1.4
381.31854	7.2
382.32153	0.5
383.29517	3.7
384.29892	0.5
397.31076	4.7
398.31470	0.5
399.32779	1.8
401.34528	1.2
402.34961	0.3
425.30670	0.8
427.32233	0.4
445.33286	100.0
446.33624	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	445.1353
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01874	2.1
57.03452	2.1
58.00586	2.3
59.01385	99.6
61.98834	13.3
69.30321	13.6
71.01387	72.3
71.01748	1.2
72.99306	3.5
73.02956	9.4
83.01391	4.7
84.36643	1.5
85.02961	17.4
87.00873	6.9
89.02454	81.5
95.01403	5.3
96.95992	1.6
96.96975	4.6
99.00922	2.8
101.01806	2.9
101.02451	41.8
101.72429	1.6
107.05023	4.6
107.12374	1.9
108.02181	11.0
109.02939	2.0
113.02464	27.6
119.03512	31.2
123.04549	21.1
125.02493	1.8
131.03517	13.1
133.05127	1.7
138.05576	6.2
143.03487	4.0
145.08672	1.5
151.04018	18.1
152.01169	22.5
152.04330	1.7
153.09225	1.8
159.03017	2.5
161.04578	19.6
167.03513	39.2
168.03850	1.9
177.73557	1.9
179.05620	35.4
186.70757	1.7
191.05424	1.9
191.55670	1.5
205.12389	2.4
221.06635	28.9
223.13345	3.7
241.14441	4.7
265.10718	2.9
283.09476	2.0
317.74747	1.7
329.08636	3.3
445.13501	100.0
446.14078	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	445.1353
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
52.53362	0.3
59.01384	4.7
61.98836	24.2
71.01377	3.5
71.04547	0.8
72.99304	0.4
73.02936	0.5
76.02909	0.4
78.95935	0.7
83.01460	0.4
85.02970	1.2
87.00840	0.5
89.02458	4.8
89.65602	0.4
96.96029	0.8
96.97000	0.6
98.19863	0.3
100.91699	0.4
101.02461	2.0
107.05052	1.4
108.02184	0.5
109.02961	3.4
109.05060	0.4
113.02448	1.3
117.03513	0.9
118.43139	0.4
119.03525	0.8
119.05008	0.5
121.05083	1.0
122.03709	0.4
123.00917	0.8
123.04558	0.8
124.01687	1.0
133.02972	8.3
133.05087	0.6
134.03787	2.6
135.04539	34.8
136.04875	1.6
138.05571	2.0
147.04535	0.7
149.06105	0.4
150.03230	1.2
151.04022	100.0
152.04372	4.1
157.81754	0.4
161.02457	24.6
162.02841	0.8
165.05632	0.8
167.03459	0.7
179.03517	17.4
180.03847	0.4
206.80592	0.4
227.76717	0.4
237.93707	0.4
261.56656	0.4
360.18832	0.4
445.13516	46.6
446.13898	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	443.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
57.88154	0.3
58.00603	0.6
59.01383	1.7
73.02956	0.6
73.50602	0.3
81.52689	0.4
127.11326	1.1
139.11302	0.4
141.12878	1.9
155.10811	1.5
157.12352	3.7
169.12373	0.9
171.13931	2.0
225.22241	0.6
237.22159	0.6
239.23792	0.9
251.23834	0.6
253.21800	1.2
255.23343	0.7
265.21725	0.7
267.23358	1.4
269.21222	6.5
279.23303	0.4
281.21451	0.5
283.22806	9.6
284.23053	0.7
293.41647	0.4
297.24335	2.2
299.22311	5.5
311.22455	0.4
313.23816	7.7
314.24203	0.8
329.26080	0.4
389.34280	1.2
405.33722	0.5
407.35278	1.3
419.92691	0.4
423.34891	2.2
425.36426	6.6
426.36972	0.8
432.03094	0.4
443.37460	100.0
444.37775	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	443.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
58.00593	0.6
59.01373	1.2
69.09157	0.2
69.30766	0.4
69.31178	2.1
72.72889	0.3
73.02947	0.9
98.19794	0.3
107.80190	0.2
127.11304	1.2
128.54388	0.3
139.11325	0.4
141.12878	1.8
143.10667	0.3
155.10797	0.7
155.14467	0.6
157.12350	2.5
169.12331	0.6
171.13951	1.6
198.89365	0.2
225.22328	0.5
237.22240	0.5
239.23769	0.7
241.21762	0.3
251.20134	0.3
253.21742	0.8
253.25288	0.4
255.23421	0.3
265.21664	0.7
267.23291	1.1
269.21255	5.8
269.24371	0.4
270.21469	0.3
279.23264	0.7
281.21368	0.4
283.22766	8.5
284.23141	0.5
295.22833	0.4
297.24384	2.4
299.22324	3.2
311.22540	0.4
311.54648	0.3
313.23880	6.1
314.24207	0.7
389.34116	1.3
390.67538	0.3
405.33575	0.4
407.35172	2.3
423.34921	1.2
424.57520	0.3
425.30762	0.4
425.36426	6.9
426.36835	1.0
443.37427	100.0
444.37772	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	443.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.1
59.01390	2.4
60.14358	0.8
83.05011	0.8
96.96028	1.5
98.95592	1.5
114.85048	0.8
126.31042	0.8
141.12874	1.5
155.10829	0.6
155.14476	1.3
157.12366	2.1
171.13879	1.8
242.45554	0.8
253.21938	0.9
255.23288	1.1
269.21225	6.4
283.22833	9.7
284.22995	0.9
297.24454	2.7
299.22403	3.2
313.23981	3.9
348.44806	0.7
389.34314	1.6
407.35373	3.9
423.35233	1.2
425.36392	7.2
443.25336	3.2
443.37473	100.0
444.37875	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	443.3169
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
57.03434	0.4
59.01376	1.4
61.98816	0.6
67.69022	0.4
79.31517	0.4
80.34525	0.4
85.02982	0.4
95.05016	0.6
108.94769	0.4
110.62881	0.4
116.92892	1.2
296.82562	0.4
379.26367	4.1
379.30350	1.0
381.27997	9.1
382.28482	1.1
383.29568	1.5
395.29535	18.6
396.29926	2.9
397.31137	13.2
398.31354	1.2
399.32895	2.5
425.30365	1.1
441.30014	0.8
443.31683	100.0
444.32065	12.7
452.30359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3546
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
59.01371	0.9
65.87687	0.8
73.23954	0.7
74.17636	0.8
75.00874	1.3
75.80441	0.7
86.70866	0.8
91.57551	0.7
93.80929	0.8
94.11350	0.7
98.20675	2.0
139.65611	0.7
287.02240	0.8
361.21231	0.9
399.32584	1.8
425.35434	0.9
443.35770	100.0
444.36200	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	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22084	0.7
68.43570	0.6
71.00302	0.9
71.00619	1.0
91.15716	0.7
98.19859	0.6
159.08481	3.3
161.06412	1.0
162.20218	0.7
213.44365	0.7
216.06059	0.6
217.07158	1.2
230.77249	0.6
261.04376	0.9
277.07565	2.1
321.74744	0.7
343.12259	0.9
345.13800	1.3
357.13809	2.2
359.15359	100.0
360.15558	13.4
425.19553	0.9
427.21606	53.0
428.21777	8.9
428.75293	0.6
443.24786	9.3
444.25040	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	443.2806
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.03458	2.0
59.01385	31.1
61.62770	0.9
61.98839	1.2
66.56845	1.0
71.55923	1.2
83.05036	3.9
96.19687	0.9
96.96009	1.4
97.06586	1.9
109.06615	2.3
111.08172	17.6
114.70500	1.0
123.08184	1.2
125.09735	3.1
130.48389	1.0
142.70844	1.1
159.10323	5.5
173.08194	8.1
173.68687	1.0
178.42055	1.2
181.02930	1.2
187.09834	1.0
221.19048	2.3
237.06622	1.1
250.97057	1.1
269.21188	2.0
283.19250	1.9
287.22403	1.8
299.64389	1.1
309.56549	1.2
315.19363	1.8
332.69336	1.2
355.26489	1.6
369.24371	1.4
371.25455	1.4
371.29648	1.5
381.24219	3.0
383.25858	2.5
399.28903	9.5
400.29816	1.1
425.30777	1.4
436.11334	1.2
443.27661	100.0
444.27856	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	443.3168
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
53.27227	0.4
63.31499	0.4
69.03429	0.5
71.01393	0.9
72.99326	0.5
79.19004	0.3
83.05031	0.6
137.09685	0.4
211.70369	0.4
365.28564	0.5
367.30325	0.8
369.27942	1.4
370.28348	0.5
379.25912	0.6
379.30148	2.5
381.28024	1.5
381.32098	0.8
382.71667	0.5
383.29440	0.5
395.29434	2.7
396.29990	0.8
397.31027	3.2
398.31314	0.5
399.32788	12.9
399.50839	0.4
400.33264	1.9
443.31702	100.0
444.25760	0.8
444.31995	15.2
458.67307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01589	5.3
59.01118	6.0
59.01389	100.0
60.01732	6.8
71.01380	16.5
71.55333	6.5
72.99319	99.7
73.02934	7.3
85.02969	10.1
88.99689	5.7
89.02454	12.0
93.03439	6.6
99.04501	6.5
101.02442	16.1
103.46143	5.7
109.02944	6.5
109.06592	8.4
113.02441	8.4
123.04507	24.7
123.97849	5.9
134.03772	6.4
135.04533	69.0
139.65450	6.2
161.04524	9.4
173.04601	31.1
179.03532	58.4
181.70993	6.5
197.04567	92.1
260.92630	6.4
269.13943	11.1
313.25873	5.7
324.33954	5.5
437.67688	6.3
443.15497	96.7
444.15836	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	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01871	2.3
55.56911	0.7
57.03444	3.2
58.00596	1.1
59.01387	42.9
60.99310	0.9
61.98827	2.3
69.43768	6.0
71.01012	1.9
71.01390	30.2
71.01788	1.9
72.99310	3.4
73.02945	6.2
75.00877	3.3
78.95906	2.2
83.01408	3.8
83.08443	0.8
84.17142	0.7
85.02959	12.0
87.00886	6.2
88.20432	0.8
88.98825	7.6
89.02453	22.6
93.03461	2.0
95.01379	2.6
96.96027	1.5
96.96986	1.8
98.20630	1.2
99.00903	2.4
101.02454	20.9
102.02780	0.8
111.00901	2.0
111.04459	0.8
113.02460	12.5
119.03518	10.0
120.54530	1.0
121.02879	1.4
122.29253	0.9
125.02445	1.5
129.02007	1.4
134.03769	1.6
135.04549	1.4
147.03017	1.6
149.02437	1.5
149.04555	0.8
149.06062	1.2
151.00334	1.0
161.04558	2.6
161.58174	0.8
173.04581	2.6
179.03473	1.6
179.05733	0.9
179.07155	2.7
189.12901	1.9
191.02019	1.0
191.05669	6.1
193.05075	2.0
209.08269	1.1
211.97798	0.9
265.07211	3.9
281.13861	1.0
353.08743	1.5
354.39963	0.8
383.17953	1.0
443.19232	100.0
444.19482	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	443.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34966	1.2
55.62386	1.3
57.03452	5.9
58.00582	1.8
59.01385	42.2
68.99569	1.4
71.01389	29.8
71.21262	1.4
71.30833	3.0
71.31191	1.5
72.99339	1.6
78.95927	4.0
83.01425	1.5
85.02951	4.1
87.00858	1.8
89.02450	48.8
89.32180	1.3
95.01411	2.7
96.96968	4.1
97.77438	1.3
98.97305	1.4
101.02450	100.0
102.02785	1.7
112.98589	1.7
113.02470	13.0
119.03518	13.9
121.72629	1.4
124.72305	1.7
131.03584	2.1
141.93735	1.3
143.03520	2.9
161.04543	6.0
179.05605	22.4
184.35664	1.2
188.92998	1.6
190.57460	1.2
254.58542	1.6
341.10895	86.9
342.11081	4.4
354.13544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92843	2.0
57.03447	3.9
58.00578	3.6
59.01389	3.9
66.12048	2.1
71.01410	3.7
73.02947	4.9
77.08379	2.2
79.95756	10.7
80.47050	2.1
96.96020	70.3
101.06078	2.5
115.07683	2.4
122.97582	5.8
127.11241	2.6
141.12810	3.7
143.10796	2.4
153.20313	2.0
155.10776	5.2
157.12354	16.7
169.12292	4.9
171.13927	20.5
185.72664	2.2
189.91278	2.2
223.20691	5.6
225.22153	2.9
237.22285	9.4
239.23813	5.4
253.21866	4.8
257.17557	2.4
267.23141	4.5
269.21234	97.2
270.21539	8.8
281.21268	6.2
281.24783	2.3
283.22775	85.8
284.23090	6.0
285.20682	4.0
295.22806	3.2
297.24234	5.6
299.22299	79.9
300.22586	7.2
313.23856	100.0
314.24164	10.9
351.29056	5.8
379.35303	3.1
405.33337	7.5
423.34747	49.6
424.35117	7.0
441.25159	79.5
441.34930	75.6
442.25381	7.1
442.34854	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	441.3738
Annotation	Cerin
Peak:m/z	Relative Intensity
70.84624	0.6
70.84962	1.1
129.21112	0.5
134.57326	0.5
154.16713	0.5
172.52731	0.5
248.81718	0.6
300.22943	0.5
358.75385	0.6
385.84015	0.6
441.37378	100.0
442.37741	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	442.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03447	1.6
59.01389	10.9
61.98835	100.0
70.60995	1.1
71.01394	8.4
73.02944	2.2
77.10967	1.1
77.12690	1.1
78.03802	0.9
78.95907	2.0
83.01400	1.6
83.80663	1.0
85.02953	3.0
89.02437	5.6
93.03463	6.8
95.01403	1.1
99.04524	1.7
101.02447	5.1
102.08703	1.0
113.02437	2.9
119.03519	2.1
121.02915	1.6
122.03732	1.8
122.06122	1.1
125.02495	1.9
134.03708	1.6
135.04494	3.2
137.02426	5.8
137.06104	3.3
149.06117	2.8
161.02390	2.5
161.04556	2.0
164.31190	1.0
173.04549	4.0
191.05568	5.6
209.08202	2.6
282.02530	1.2
355.69492	1.1
381.99332	1.0
382.17719	2.1
425.14008	3.4
443.14325	5.1
443.20245	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	443.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40424	0.9
55.01863	1.6
57.03446	3.8
59.01384	30.1
60.99309	14.8
66.04661	0.9
71.01389	17.3
71.56065	1.4
72.99330	1.3
73.02956	2.7
75.00874	1.9
78.95912	2.5
83.01396	2.7
83.04994	1.7
85.02959	11.6
87.00893	10.1
88.98811	100.0
89.02451	12.9
93.03481	4.1
95.01398	1.8
96.96030	2.5
98.95565	1.1
99.00866	2.3
101.02454	13.0
103.16877	1.0
108.02195	1.0
109.02969	1.5
111.04562	1.9
113.02469	7.5
119.03536	3.0
119.05031	1.8
123.08179	2.0
125.02486	1.3
126.34825	1.0
127.04021	1.8
129.01945	2.9
134.03754	4.0
135.04509	3.1
137.02444	3.2
147.02988	2.8
148.91028	1.6
149.02477	2.9
149.05954	1.2
153.25270	1.0
161.02432	1.8
161.04594	1.3
163.03996	1.4
171.11803	3.8
173.04639	3.2
176.04050	1.6
178.02715	1.1
179.03511	2.9
179.07175	3.6
181.05013	1.3
189.12883	2.2
191.01999	2.7
191.05621	72.8
192.05913	2.3
193.05118	6.6
221.08136	1.3
222.92531	1.4
237.14899	3.1
250.92105	2.0
265.07184	3.0
280.95206	5.2
281.10721	1.9
281.13913	16.5
281.16821	1.3
291.88815	1.2
305.14111	1.4
323.14920	1.2
328.33344	1.2
347.14319	1.1
352.92416	1.1
353.08746	7.3
443.12946	1.6
443.19260	48.3
444.19678	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04420	0.5
58.00602	0.6
59.01387	2.2
69.26839	2.8
69.27258	1.6
72.99329	2.3
85.88438	0.5
96.96028	2.3
98.19904	0.9
99.08175	0.5
102.67563	0.5
125.09769	0.6
127.11320	3.5
139.11290	6.3
155.10724	0.8
157.12419	0.9
203.57298	0.5
237.22354	1.9
239.23825	3.0
242.22881	0.5
252.30844	0.5
265.21722	0.9
267.23447	2.1
283.22806	17.3
283.25833	0.9
284.23187	1.2
285.20773	1.1
294.76395	0.5
295.22964	1.5
297.24466	1.4
299.22058	0.6
311.22440	1.7
313.23880	23.3
314.24384	2.1
379.31216	0.7
383.64709	0.5
395.29492	0.6
397.32773	1.7
401.08258	0.6
405.34045	2.9
423.34946	1.9
439.35989	0.8
441.35962	100.0
442.36279	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	441.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.0
58.00600	2.3
59.01376	3.6
60.28971	2.7
65.19904	2.1
71.01369	2.7
71.47326	3.8
73.02937	3.3
85.02917	2.5
90.18221	2.0
96.96024	4.6
101.06119	1.8
104.50334	2.5
106.74030	1.9
114.64561	2.1
133.97246	2.0
135.13911	2.3
141.12831	2.9
143.10764	2.9
157.12347	9.3
169.12370	5.3
171.09880	2.4
171.13937	16.2
221.50374	2.1
239.23781	3.2
253.21725	3.0
267.23459	3.6
269.21246	100.0
270.21600	6.9
283.22833	53.3
284.23071	3.8
297.24362	6.1
299.22324	50.6
300.22595	6.6
302.83588	2.1
313.23862	82.3
314.24207	9.2
327.25293	4.8
366.69681	2.4
376.15530	2.2
421.34641	3.9
423.34875	22.0
441.25165	5.0
441.34821	33.2
442.34250	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	441.3375
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
50.53719	0.2
69.41492	2.1
79.95718	0.4
91.86943	0.2
96.96019	2.5
97.06601	0.5
112.70618	0.3
117.45777	0.3
134.78886	0.3
155.27869	0.2
189.12837	1.0
191.14433	1.5
270.52271	0.3
277.93774	0.2
393.31461	0.3
423.32825	1.5
441.33743	100.0
442.34091	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	441.3376
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
63.94831	0.2
66.06084	0.2
68.10500	0.2
71.01613	0.5
77.06983	0.2
96.96011	0.8
132.22482	0.2
189.12851	0.6
191.09763	0.2
191.14462	0.7
236.81293	0.2
273.18695	0.6
289.21774	0.9
367.55844	0.3
441.33740	100.0
442.34094	13.8
442.40347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34735	0.5
58.00594	0.9
59.01387	1.7
67.27405	0.5
69.40337	4.0
71.34392	0.6
72.99306	1.5
96.96041	0.9
98.20779	0.5
125.09768	1.0
127.11301	4.4
129.09311	0.7
139.11316	4.5
155.10851	1.2
157.12405	1.5
237.22316	2.1
239.23944	2.7
267.23508	1.7
271.19354	0.9
283.22821	16.2
283.25879	1.0
284.23242	1.4
285.20892	0.9
295.22879	1.6
297.24506	1.2
313.20233	1.0
313.23886	19.1
314.24429	2.1
379.32043	0.6
387.33011	0.6
397.32935	0.7
405.33701	3.1
423.35101	2.3
441.35986	100.0
442.36377	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	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	0.9
61.98860	0.6
66.32082	0.4
71.01387	4.2
73.02971	2.3
80.91678	1.0
83.01395	0.9
85.02963	1.7
87.00911	0.6
89.02467	2.0
93.03461	1.0
95.01434	0.6
101.02459	2.7
105.51772	0.5
113.02486	1.9
115.88335	0.5
141.14174	0.5
143.57407	0.5
161.04671	0.9
173.04562	1.0
184.98309	0.5
191.05734	1.2
237.15059	0.7
301.69308	0.8
374.22076	0.5
374.72238	5.8
375.22437	1.6
399.24203	1.2
441.20996	1.1
441.25711	0.8
441.30450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3012
Annotation	Paeonenoide C
Peak:m/z	Relative Intensity
50.69078	0.6
53.65541	0.6
57.03443	1.6
59.01385	1.9
60.99323	2.4
70.97083	1.5
71.05044	0.9
73.74384	0.6
83.79645	0.6
89.36191	0.6
95.05022	1.4
97.70038	0.6
109.06612	7.9
117.75269	0.7
120.05829	1.0
121.06647	0.7
145.58453	0.8
148.74155	0.7
156.20235	0.6
161.09712	0.8
177.12718	0.8
178.73416	0.7
182.74095	0.7
230.37714	0.7
270.35931	0.6
283.23425	0.7
365.24942	4.0
377.28424	0.9
379.26184	2.2
379.30280	1.3
381.28009	20.7
382.28363	3.4
395.29623	2.3
397.31122	100.0
398.31461	14.5
415.32333	4.7
423.28229	0.7
429.30432	0.9
431.91165	0.7
441.29892	64.2
441.34244	39.7
442.29211	10.1
442.34653	5.9
459.31494	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	441.3378
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
59.01380	0.9
61.98825	0.3
67.22159	0.2
71.55498	0.3
131.46870	0.2
166.81932	0.2
167.02087	0.2
223.04686	0.2
248.28563	0.2
441.33768	100.0
442.34119	14.8
462.34424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49559	1.6
57.03466	2.0
57.64910	1.6
59.01383	63.3
60.00355	1.7
61.98835	18.2
69.27194	17.3
71.01385	36.9
71.78967	2.0
72.99306	3.3
73.02943	10.8
75.00883	3.9
78.95911	15.4
83.01403	7.1
85.02960	17.2
87.00902	2.6
89.02439	12.8
93.03513	2.2
95.01391	3.3
96.96017	42.1
96.96958	25.2
97.03011	2.3
98.20616	3.0
99.00890	4.7
99.02863	1.8
101.02451	28.3
103.04027	2.7
110.76378	1.8
111.04492	2.2
113.02447	17.6
115.21517	2.0
117.23233	1.9
119.03464	2.1
120.28022	1.7
121.03045	1.7
124.25541	2.2
125.02499	2.9
130.18509	2.0
135.04541	2.1
137.06117	3.2
143.03546	3.1
148.04071	5.4
159.02962	2.3
161.04579	15.2
173.04495	2.6
181.05070	13.7
191.05630	7.0
207.65573	1.9
235.11882	55.7
236.12103	2.5
247.08116	1.9
279.01843	5.6
301.63547	1.8
343.10236	8.4
380.16144	1.9
381.17661	100.0
382.17960	5.9
388.51273	2.0
404.96390	1.8
441.14001	2.5
441.19461	2.9
442.13321	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	441.2494
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01386	100.0
60.01720	1.2
60.30693	0.4
61.98829	1.5
71.01406	1.6
71.56249	0.7
73.02953	0.7
80.91690	0.5
85.02981	0.5
89.02462	0.8
101.02467	0.7
113.02489	0.8
137.83289	0.5
145.41705	0.5
173.04585	0.7
191.05751	0.5
198.76639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.0
57.03450	5.3
59.01384	57.9
61.98816	5.1
66.23297	2.6
69.51225	2.3
69.71137	13.5
71.01389	59.4
71.57854	2.6
73.02953	19.7
83.01383	7.5
85.02956	26.3
88.97799	2.9
89.02459	22.3
93.03470	7.3
95.01359	2.9
98.20663	2.7
99.00875	7.4
101.02437	45.9
103.22144	2.7
104.24857	2.4
109.02940	3.7
113.02455	36.2
119.03491	6.8
119.04968	3.1
125.02421	3.4
125.84754	2.6
129.01949	4.0
131.03560	2.8
133.02977	5.3
135.04463	6.0
143.03496	3.8
159.02951	6.3
161.02423	9.1
161.04559	31.4
163.03897	2.9
173.04558	8.5
175.03912	2.9
177.01892	4.5
191.05624	17.7
209.75761	2.8
229.01450	2.6
231.09766	3.0
237.10687	2.9
249.10878	5.9
249.13431	100.0
250.13710	6.8
265.12955	4.8
275.07022	2.8
381.17630	94.9
382.18008	10.0
441.18652	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	441.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
57.03453	4.2
59.01107	3.0
59.01386	33.6
60.00912	1.4
61.98849	2.6
68.02684	1.4
71.01389	31.0
71.09634	3.5
72.99340	1.7
73.02965	13.6
83.01385	9.6
85.02964	18.7
87.00905	4.3
89.02469	9.1
93.03484	3.7
95.01391	2.0
99.00911	7.4
101.02457	36.7
111.00868	3.9
113.02479	11.7
119.03522	1.8
119.05032	5.1
119.14551	1.6
125.02456	2.5
126.82539	1.5
135.04552	2.2
143.03564	1.7
159.02953	2.1
161.02478	2.8
161.04518	12.6
163.03981	7.4
173.04568	7.0
173.27455	1.6
173.80400	1.5
179.03276	2.0
187.03983	1.6
187.95473	1.4
191.05684	11.6
203.07082	1.6
223.80087	1.4
223.91377	1.8
235.09843	2.3
237.22009	1.6
249.13443	100.0
250.13805	3.3
267.12427	2.6
275.09286	2.0
309.18317	2.4
381.17679	60.5
382.17984	6.9
390.63269	1.6
396.72214	1.5
427.41089	1.7
441.13940	2.1
441.22519	3.6
462.12561	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	441.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12125	2.0
54.36542	1.7
56.38186	2.3
57.03445	3.9
59.01106	3.4
59.01384	38.1
68.15787	1.8
69.37582	14.7
71.01392	41.5
73.02967	16.3
83.01393	7.4
85.02962	21.6
87.00870	3.1
89.02442	10.5
93.03457	5.9
95.01393	3.6
96.29966	1.9
97.02940	2.6
99.00874	5.9
101.02450	43.0
109.02947	5.9
109.06623	2.2
109.75531	2.0
111.04513	2.2
113.02460	19.7
122.03768	2.3
124.05337	2.9
125.02489	3.8
131.03534	2.2
135.01855	2.2
135.04535	5.9
137.06070	2.7
139.07654	19.2
141.13142	2.1
149.05983	2.1
159.03017	2.6
161.02417	6.0
161.04552	18.2
163.03920	2.4
168.07874	4.3
173.04521	4.2
179.03473	2.2
187.11278	2.5
191.05618	15.6
199.44739	2.1
205.12354	9.6
249.13434	100.0
250.13728	3.9
279.12390	12.7
315.51871	2.1
326.51657	2.4
381.17694	74.3
382.17874	7.7
441.17999	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	11.4
59.01383	15.7
61.98824	4.7
66.90751	2.1
70.30166	4.8
71.01394	11.3
72.85117	2.0
72.99306	2.0
73.02947	3.3
76.30871	2.0
77.38318	2.0
85.02951	5.1
89.02451	6.6
93.03468	4.8
97.02953	7.5
101.02448	4.9
109.02961	8.2
109.06583	6.5
111.04516	6.5
112.04120	2.1
113.02451	6.8
119.04967	2.9
119.98888	1.9
121.06577	3.3
122.03736	11.2
123.04505	5.3
124.05302	18.7
125.06092	5.8
133.02965	2.9
135.04544	4.6
137.06067	13.2
139.07660	100.0
140.08043	3.3
147.08154	5.1
149.06110	3.0
151.03998	2.4
161.02382	2.7
161.04605	2.1
163.07651	2.1
168.07921	18.5
169.08684	7.3
172.08331	2.2
173.04527	5.2
183.36340	2.2
187.11346	20.1
191.05615	8.1
205.12344	28.6
231.10266	4.4
235.13451	8.1
249.11168	2.7
249.13560	2.8
273.11356	7.7
279.12402	60.5
280.12775	4.5
303.12311	8.2
321.13211	3.2
381.17612	8.9
441.13629	2.6
441.18884	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	441.1898
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
59.01382	7.9
60.19357	5.4
61.51185	5.0
61.53743	5.1
61.98830	7.6
71.01373	15.1
71.08907	6.4
71.09257	11.4
72.71281	5.5
78.95900	5.6
84.63535	6.0
89.02454	9.0
96.96014	8.5
98.19955	6.6
110.75481	5.8
112.99348	6.4
137.34822	6.4
154.04967	5.5
154.81970	5.3
196.04076	4.7
259.34512	6.7
298.22018	5.7
340.87549	5.4
350.53885	6.8
441.19067	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35149	0.7
55.47349	0.9
57.03448	3.9
59.01384	100.0
60.99297	1.3
61.98836	12.0
67.01886	2.2
69.03431	1.0
71.01394	5.4
71.05012	1.8
71.35106	0.8
73.02936	1.8
78.95934	1.9
81.03448	2.3
83.05027	4.2
85.02950	7.1
87.00881	4.6
89.02441	1.6
90.87408	1.0
93.02874	1.3
93.03464	20.8
98.20776	1.2
99.04512	3.9
101.02450	1.9
109.02947	1.2
111.00916	0.8
111.04517	9.0
112.44143	0.7
113.02442	1.1
125.02580	0.8
127.03979	2.7
129.01933	1.6
134.03697	2.3
135.04466	2.3
137.02394	4.3
149.06000	1.0
155.03513	8.4
161.09714	1.0
161.13336	2.6
163.11256	3.2
167.80367	0.7
173.04558	61.4
174.04849	2.1
179.03503	1.1
187.11200	0.9
191.05624	70.1
192.05956	2.5
207.10277	1.9
207.67715	0.8
209.08168	0.9
219.13664	1.0
223.13406	68.4
224.11771	0.8
224.13585	4.1
267.12399	36.5
267.15808	3.9
268.12579	2.4
441.17517	33.3
442.17905	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01385	17.8
60.99310	0.7
61.98821	0.5
67.01894	5.0
69.03465	1.3
69.45504	2.4
71.01388	4.0
71.05012	0.5
73.02957	0.5
78.95943	0.5
81.03452	0.8
82.55079	0.4
83.05032	1.3
85.02962	3.0
87.00864	0.9
93.03465	30.6
94.03794	1.0
96.96008	0.5
99.00915	0.4
99.04563	0.9
101.02421	0.7
108.60239	0.3
109.02948	1.1
111.00895	1.4
111.04529	5.0
113.02461	0.6
118.90963	0.3
124.27856	0.4
126.36894	0.3
127.04028	1.0
137.02463	4.5
155.03506	4.7
161.13348	0.4
173.04556	100.0
174.04912	4.0
191.05627	19.7
191.07410	0.7
192.05949	0.9
223.13405	14.7
224.13832	1.0
263.15118	0.7
267.12411	6.5
267.16025	1.0
268.12836	0.4
395.19336	0.9
402.76883	0.3
410.68188	0.3
441.17578	10.6
441.23178	0.6
442.18091	1.5
455.69504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01382	19.9
60.99332	1.0
67.01892	4.0
69.03459	1.0
69.32091	4.3
71.01379	3.4
71.05047	0.6
78.95917	0.5
80.75166	0.4
81.03474	1.3
83.05051	1.6
85.02961	2.0
87.00885	1.4
89.02414	0.5
93.02869	1.2
93.03465	25.6
93.85638	0.6
94.03864	0.7
94.56190	0.5
98.19955	1.1
99.04509	0.5
103.36922	0.6
109.02969	1.1
111.00883	0.8
111.04538	5.4
113.02522	0.6
114.16875	0.5
114.78147	0.5
127.04034	1.1
137.02454	4.8
155.03496	4.9
161.13400	0.6
173.04555	100.0
174.04912	3.7
191.05620	20.1
192.06006	0.7
223.13394	18.5
224.13750	1.0
267.12381	7.4
267.15771	1.3
268.12775	0.7
311.45599	0.5
441.17566	17.0
442.17892	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25340	0.6
56.76333	0.6
57.03443	1.9
59.01386	38.5
59.67028	0.7
60.68547	0.7
60.99299	1.2
61.98812	1.0
67.01900	4.3
69.03461	1.0
71.01392	5.5
71.05021	2.7
73.02955	1.1
81.03474	2.0
83.05024	2.0
85.02957	4.1
87.00899	2.0
87.04501	0.8
89.02462	1.4
93.03468	27.7
94.03809	1.1
97.06599	0.8
99.04518	4.6
101.02474	0.7
101.69935	0.7
102.16337	0.7
107.54242	0.6
109.02959	2.0
111.04556	4.6
113.02461	1.7
127.04042	1.3
128.03528	1.6
133.02968	0.9
134.03760	2.8
135.04507	1.2
137.02478	6.4
155.03520	5.8
161.02473	0.8
167.10803	2.7
173.04562	100.0
174.04900	4.0
178.02831	1.0
179.03500	0.8
179.10838	0.9
184.24043	0.6
191.05621	27.0
192.05890	0.7
210.73375	0.6
223.13412	12.4
224.13651	1.4
267.12445	6.0
267.16037	20.1
268.16519	1.7
314.44504	0.7
339.18115	0.7
441.17038	12.3
442.17932	1.0
448.29785	0.7
464.38025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
58.85951	0.3
59.01386	20.2
60.24494	0.3
60.99309	0.5
61.98838	0.5
67.01897	5.4
69.03449	0.8
71.01395	3.5
71.55425	0.5
73.02954	0.4
78.95921	1.3
79.71992	0.3
81.03459	1.3
83.05030	1.6
85.02958	2.7
87.00882	1.2
93.03471	32.0
94.03802	0.7
96.96029	0.6
97.02967	0.4
99.00904	0.4
99.04532	1.7
101.02441	0.4
103.90424	0.3
109.02972	1.0
111.00895	1.3
111.04538	5.4
121.64224	0.4
127.04053	0.6
134.03758	0.6
135.04546	0.6
137.02463	5.0
155.03510	5.1
173.04565	100.0
174.04875	3.0
186.71306	0.4
191.05634	18.2
192.05978	0.5
223.13400	12.5
224.13629	1.1
227.92349	0.4
267.12408	7.2
267.16028	2.1
268.12686	0.6
307.98901	0.4
395.19229	0.9
441.17569	10.4
442.18005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01385	73.0
63.64878	0.9
67.01931	1.0
69.19894	1.6
69.20299	8.2
71.01377	1.7
73.02970	1.2
77.06223	1.0
83.05036	2.3
85.02957	8.6
87.00880	4.2
93.03470	6.2
98.94491	1.0
99.04494	1.3
111.04528	5.4
111.27712	0.9
127.04034	3.3
155.03485	6.5
161.13373	1.1
171.02811	1.0
173.04565	20.6
173.06055	1.2
176.61798	1.2
191.05621	100.0
192.05963	2.8
196.72148	1.1
207.10376	1.2
223.13400	65.4
224.13780	4.9
225.61542	0.9
262.94775	1.1
267.12396	16.1
344.29688	1.1
391.57031	1.0
441.11517	1.4
441.17654	29.5
442.17905	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3432
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
53.24737	1.1
59.01407	1.3
69.03467	1.4
70.95996	1.5
70.96335	1.6
71.66843	1.1
73.75994	1.1
74.89954	1.0
75.91265	1.1
83.05053	1.3
85.02962	2.6
104.54883	0.9
113.02457	5.1
129.63689	1.2
184.60326	1.2
253.21869	1.2
255.19656	4.9
281.24924	2.8
351.32407	1.5
359.33313	1.4
377.30176	1.7
377.34344	20.4
379.32346	1.1
393.33646	3.2
395.35361	100.0
396.35748	13.4
398.48721	1.0
403.32047	3.1
409.33298	2.1
410.34927	1.0
421.33374	14.9
439.32748	23.8
440.33353	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	439.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28654	0.5
71.05017	1.3
71.56000	1.0
81.03481	0.6
83.05049	1.1
84.05939	0.6
85.02962	0.8
86.68779	0.6
87.00866	1.5
94.37527	0.6
99.04503	1.0
141.12894	5.8
153.12840	1.7
155.14424	1.7
223.20801	0.7
251.23817	12.0
267.23370	4.0
267.26935	1.1
268.23569	0.7
365.37939	0.6
375.36310	6.8
391.36105	1.6
393.37463	3.1
395.31461	2.4
402.94092	0.8
439.37973	100.0
440.38315	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	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74189	0.4
54.06249	0.4
54.29356	0.3
59.01380	2.8
60.00258	0.4
61.98838	5.0
67.45545	0.4
69.37284	0.7
69.37687	2.7
71.01384	2.7
72.26395	0.4
85.02968	1.0
87.00891	1.4
89.02451	11.0
90.77944	0.4
93.03481	2.3
101.02483	1.2
111.04465	0.4
118.98103	1.5
119.05038	100.0
120.05384	4.2
133.02950	0.6
133.05077	7.1
134.03712	0.6
135.04506	1.0
149.06140	0.4
151.95514	0.4
155.03586	0.4
161.02449	0.8
163.04024	96.8
164.04337	4.7
173.04584	4.2
179.03482	0.7
191.05618	2.5
267.16156	0.5
269.20316	0.4
307.08255	3.6
325.09314	6.4
326.09637	0.5
329.11664	0.5
397.11267	1.1
441.17892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.343
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
57.03447	3.6
67.68649	0.7
69.03451	1.2
69.82711	3.1
69.83123	1.5
71.05031	7.2
72.36373	0.8
73.02944	1.4
80.45002	0.8
83.05039	2.0
85.02973	2.6
98.20560	1.6
99.04520	2.3
123.82393	0.8
127.07662	2.4
139.11316	4.5
141.12871	17.5
157.12251	0.9
167.10825	4.8
185.11867	1.4
211.17151	1.2
236.43707	0.8
245.29730	0.8
253.21732	7.9
255.19466	0.9
267.27005	6.3
269.21286	2.0
271.22818	7.9
341.30423	1.0
354.14777	0.9
359.33344	1.0
375.50787	0.9
377.34299	4.6
378.34500	0.9
379.14398	0.9
395.35397	27.7
396.35571	2.9
421.33362	1.6
439.34317	100.0
440.34705	11.2
446.55588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.322
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
67.41521	0.2
69.42433	1.4
69.42838	0.5
88.86893	0.2
93.00735	0.3
98.20778	0.2
147.48802	0.3
391.30084	0.7
406.50027	0.3
439.32181	100.0
440.32538	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	439.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
59.01373	3.0
60.99312	6.3
66.91517	1.6
69.42066	9.0
73.02885	1.3
73.06197	1.3
76.98766	1.7
113.06084	1.4
114.59043	1.4
127.11322	1.4
132.27002	1.2
143.00760	1.8
236.24045	1.3
269.21082	4.8
283.22867	1.4
284.96362	1.4
295.22617	1.7
297.24268	1.3
351.32477	5.1
377.30539	1.6
391.30069	18.1
392.30368	3.1
393.31448	8.3
395.31509	3.6
403.32187	2.7
409.30939	7.1
411.32455	3.6
421.32764	4.4
423.16678	1.3
423.28442	1.4
425.30441	2.6
427.31998	5.0
437.30884	8.8
439.32278	100.0
440.32559	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3432
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
55.19233	1.0
55.99817	0.8
57.03464	5.2
57.33414	0.9
58.00604	1.1
70.30483	1.6
70.30869	2.4
84.02175	1.0
98.19923	0.9
99.04557	0.9
101.02521	1.1
113.09792	0.9
123.04583	1.7
127.11350	2.1
129.09163	1.5
141.09274	5.0
141.12923	0.9
153.72356	1.0
155.14445	7.0
157.12341	2.4
169.12373	1.5
171.13928	1.7
209.19160	1.3
221.19319	1.1
237.12593	1.2
237.18655	1.5
237.22221	2.0
251.23985	1.1
255.19666	10.6
269.21298	13.1
281.21585	1.6
283.19330	38.1
283.22897	8.6
284.19534	3.0
285.20975	2.3
290.95969	1.1
297.21094	3.0
297.24341	46.7
298.24927	3.7
299.22504	3.0
311.22150	5.6
359.33392	2.7
377.34232	30.7
378.34793	4.2
393.33936	1.5
403.32187	67.5
404.32562	8.5
421.33264	100.0
422.33548	11.8
439.34366	37.0
440.34818	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.2
61.98842	0.5
69.23296	3.6
71.01385	2.7
73.02960	0.9
78.14280	0.3
78.95924	0.4
85.02958	1.0
85.20972	0.4
89.02460	0.8
95.01419	0.4
96.96024	0.9
101.02480	1.3
109.02981	0.4
113.02445	1.8
135.09998	0.4
152.83720	0.5
161.04597	0.5
306.07513	0.4
374.21991	3.7
377.26791	0.4
379.21603	0.7
439.14545	0.5
439.27744	0.8
440.24271	1.4
451.70343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13623	3.1
57.44307	2.9
58.80181	2.6
59.01382	100.0
61.09999	2.6
69.77428	15.8
71.01387	70.6
73.02941	13.9
74.98735	2.9
79.44535	2.7
83.01398	3.6
83.03769	2.8
85.02943	16.8
87.00890	3.7
89.02449	78.8
90.00675	3.1
95.01378	3.8
96.96023	9.9
99.00890	5.0
101.02455	41.5
113.02457	24.9
119.03492	18.8
131.03474	10.7
135.04416	2.9
143.03470	4.9
149.04584	23.9
150.03267	4.5
161.04576	11.0
179.05603	25.1
189.02011	4.1
191.05687	9.5
191.69696	3.0
195.06590	6.6
247.11873	43.1
293.16000	3.1
351.64157	3.4
379.16138	67.6
380.16547	3.8
409.71298	3.1
422.03076	2.8
424.92209	3.1
439.22519	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.1
57.03460	5.8
58.00607	3.7
58.19088	0.6
59.01386	70.8
69.03457	1.9
69.25777	5.1
71.01389	81.2
72.01720	1.5
72.99307	3.9
73.02955	26.3
75.00871	2.0
78.95898	1.0
80.91696	0.8
81.03452	0.8
83.01395	16.4
84.95125	1.3
85.02959	36.6
86.00098	1.7
87.00885	5.7
89.02452	38.4
90.02776	0.8
93.03456	1.8
95.01383	4.3
96.96029	3.5
96.96963	2.1
97.02953	4.0
99.00885	8.9
101.02454	63.9
102.02787	1.3
103.04051	0.9
110.36462	0.5
111.00893	7.4
113.02465	23.6
114.02792	0.7
115.04030	1.7
119.03528	2.6
125.02449	5.0
129.01929	1.8
131.03520	20.2
143.03535	3.3
145.12381	1.1
149.04562	10.9
159.03046	4.4
161.04558	19.4
173.04561	0.9
179.05624	0.8
191.05626	15.6
203.05690	0.7
215.05632	0.8
229.61279	0.6
233.06735	5.3
255.20485	0.6
265.10776	1.3
265.14484	1.3
279.20007	0.6
289.16547	1.7
293.08954	0.9
307.17648	94.5
308.17978	7.3
439.21857	100.0
440.22131	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	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98843	2.7
69.24529	3.2
71.01391	0.8
72.78030	0.4
78.95911	45.2
79.95724	0.8
89.02421	0.6
96.96020	34.5
96.96970	100.0
98.19910	0.6
101.02457	0.4
145.31419	0.4
152.87971	0.3
161.04588	0.4
174.82352	0.5
293.08829	0.4
345.43268	0.3
403.12473	0.5
439.08398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57804	0.3
59.01394	0.5
65.66651	0.4
69.29781	3.1
74.97011	0.4
78.95913	47.4
79.95744	0.7
89.02471	0.9
96.96020	28.6
96.96973	100.0
162.50316	0.4
162.89633	0.4
181.61765	0.3
271.44882	0.4
293.08905	0.5
307.80896	0.4
403.12665	0.6
439.09042	2.0
440.21133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
59.01110	3.9
59.01386	50.5
61.02950	2.6
69.83815	9.3
71.01387	58.4
73.02958	18.7
73.77919	2.3
75.00853	3.5
78.95892	5.3
81.46449	2.6
83.01397	7.5
85.02953	28.7
87.00883	4.9
89.02448	21.2
95.01414	6.0
96.96006	9.5
96.96967	10.2
98.19980	4.1
99.00896	9.9
101.02457	36.7
113.02453	24.4
119.03535	3.5
122.83685	2.6
125.02438	4.4
131.03493	6.6
143.03532	3.5
149.04503	2.7
159.02963	3.6
161.04564	32.5
191.05594	6.3
243.74210	2.5
247.11908	100.0
248.12129	5.7
249.03369	2.4
371.90857	3.1
379.11563	4.8
379.16132	94.1
380.16367	6.3
439.17706	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	437.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.6
57.71700	1.4
59.01400	1.6
64.39548	1.2
69.66708	8.0
73.02945	1.6
78.95911	4.1
80.95122	1.7
83.05036	2.3
87.00896	2.3
93.03363	1.2
95.05016	1.5
97.06602	8.4
98.20624	2.8
99.04532	82.5
100.04881	1.8
117.16098	1.7
125.06117	2.4
125.09742	16.0
136.05333	2.8
151.07655	5.7
152.99652	4.4
267.26968	5.4
321.31689	1.8
326.43576	1.3
368.12598	1.8
381.33832	6.6
382.33356	1.5
393.37616	4.3
401.34439	2.8
419.35464	9.0
437.36465	100.0
438.36993	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	439.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96384	0.4
65.31223	0.2
69.76118	0.9
69.76530	0.4
76.21465	0.2
78.67538	0.2
78.95911	42.0
82.22352	0.2
96.96081	4.2
96.96968	100.0
109.49117	0.2
125.67377	0.2
126.35633	0.2
200.14680	0.2
212.52365	0.2
360.61285	0.2
439.08548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20255	0.3
55.01885	3.9
57.03450	4.3
57.90779	0.3
58.00600	1.5
59.01383	34.0
60.01726	0.4
69.03456	1.3
71.01385	48.2
71.57236	0.5
72.01744	0.9
72.99308	2.7
73.02950	22.4
75.00876	1.2
81.03471	0.5
83.01391	18.8
84.01707	0.3
84.02180	0.3
85.02956	28.6
86.00116	1.6
86.00540	0.3
86.03306	0.7
86.84708	0.3
87.00881	2.5
87.04495	0.4
89.02448	6.9
90.02798	0.4
91.02904	0.4
93.03431	0.6
95.01393	3.4
97.02958	2.7
99.00886	8.5
101.02449	58.3
101.06112	0.6
102.02798	1.0
103.04020	2.2
111.00877	1.9
113.02456	18.5
114.02847	0.4
115.04008	0.8
119.03500	1.8
123.00970	0.3
125.02450	2.7
127.04070	0.3
127.11317	1.0
129.01950	1.2
129.12862	0.3
131.03430	0.4
143.03511	2.7
145.05077	0.9
149.04556	0.7
155.03508	0.3
159.03026	4.0
161.04564	21.6
162.04898	0.7
163.06125	1.3
173.04594	2.3
187.06143	0.3
191.05620	0.3
199.13458	0.7
205.03593	1.1
229.07195	1.1
247.08244	1.6
275.11395	1.3
291.18143	100.0
292.18497	6.7
305.19797	0.6
335.17178	0.9
437.23959	27.8
438.24243	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	437.3063
Annotation	Salacenonal
Peak:m/z	Relative Intensity
64.24731	0.2
65.57481	0.3
71.01827	0.5
123.10052	0.3
181.50908	0.3
226.00386	0.3
391.30148	1.2
437.30606	100.0
438.30948	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	437.3276
Annotation	Mimosaside A
Peak:m/z	Relative Intensity
55.01872	2.9
57.03439	5.0
59.01384	2.0
59.97894	1.2
70.36856	1.1
71.01386	2.0
71.04974	1.1
73.02934	1.4
73.74191	1.2
78.95899	2.6
80.02692	6.3
81.03488	1.3
82.55354	1.2
83.05012	2.4
84.02162	3.6
85.02952	8.6
85.06560	1.4
95.04994	1.6
97.02931	1.4
97.06573	4.2
99.08160	1.8
109.06611	1.8
111.00946	1.4
113.02456	14.9
113.06086	4.5
121.02970	1.6
125.02430	1.5
125.06079	5.9
125.09711	1.3
136.05222	1.2
137.09740	11.7
139.11259	1.4
140.01155	1.3
151.03978	2.9
151.07634	2.3
151.11296	3.5
152.99631	2.1
153.09203	3.4
155.10750	2.2
167.10762	1.8
178.09943	3.4
179.14421	11.1
184.17661	1.2
195.13864	4.7
195.17542	6.0
209.19115	1.4
215.03677	1.2
223.20605	1.5
237.22258	7.9
239.16536	8.1
241.18071	2.6
255.23239	1.5
269.21283	1.9
281.21228	4.7
283.22766	4.0
293.24829	5.5
303.23053	2.5
311.21881	1.3
311.25708	2.2
319.23013	3.0
321.20834	1.1
321.24365	26.6
322.24576	3.3
337.23758	3.9
368.12628	2.6
375.32581	3.3
391.32101	1.7
393.29956	1.1
393.33926	9.7
394.33829	1.6
401.30682	7.2
419.31674	100.0
420.31989	13.4
437.32590	93.7
438.32953	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.9
57.03453	5.0
59.01387	48.5
59.56200	1.2
69.33923	10.0
70.87286	1.2
71.01391	59.4
71.01786	2.9
72.99318	2.1
73.02954	31.0
75.00893	2.4
83.01399	11.6
83.66399	1.1
85.02961	35.7
86.00107	2.4
87.00890	3.9
89.02464	11.0
95.01395	4.3
97.02940	2.2
99.00897	14.0
101.02454	68.2
102.02813	1.6
107.36083	1.4
108.46072	1.2
111.00904	2.5
113.02467	23.4
115.04040	2.0
125.02465	4.4
129.01962	1.9
131.03616	2.4
143.03503	4.4
149.04530	2.9
159.02962	4.2
161.04576	20.2
233.06723	3.5
305.19720	100.0
306.20151	6.4
349.18781	1.8
437.23935	94.2
438.24265	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94255	0.4
55.01882	7.3
55.35324	0.4
57.03453	6.7
58.00600	3.7
59.01385	87.8
60.01721	0.7
68.44260	0.4
68.99828	0.7
69.03472	1.9
69.35811	0.4
69.36147	3.7
71.01389	100.0
71.37911	0.4
72.01733	0.8
72.99319	5.1
73.02955	30.0
75.00888	1.3
81.03472	1.2
83.01397	18.9
85.02960	41.5
86.00114	2.4
86.03296	0.5
87.00883	5.4
89.02455	47.7
90.02827	0.5
95.01401	3.8
97.02954	4.1
99.00899	11.3
99.04494	0.6
101.02454	85.9
102.02795	1.9
111.00893	8.7
113.02464	27.2
114.02798	0.8
115.04001	2.2
119.03529	1.4
125.02462	6.2
127.04054	0.6
129.01976	2.6
131.03517	32.2
137.02496	0.7
141.02003	0.5
141.12860	0.6
143.03506	4.6
143.14502	0.7
149.04564	11.0
159.03014	4.0
161.04579	20.9
162.04976	0.8
185.15480	0.5
187.06206	0.7
191.05623	1.2
205.03378	0.5
215.05649	1.5
233.06682	6.6
287.18674	1.0
293.09027	0.9
305.19714	89.6
306.20056	6.0
349.18982	1.0
437.23935	66.5
438.24210	6.6
444.96490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.3
57.03456	7.2
58.00600	3.3
59.01384	80.9
60.01722	0.9
62.65851	0.6
69.03471	2.4
71.01386	100.0
71.26249	0.7
71.56595	0.6
71.57009	1.0
72.01717	2.2
72.99310	5.6
73.02953	30.9
74.03278	0.7
75.00877	1.7
81.03465	1.5
83.01389	19.3
85.02956	38.0
86.00108	2.1
87.00874	5.1
89.02452	48.2
90.02806	0.8
95.01386	4.4
97.02972	3.5
98.02496	1.3
99.00886	10.5
101.02451	82.3
102.02810	1.8
111.00886	8.8
113.02458	29.3
114.02832	0.9
115.04023	2.2
119.03510	2.4
125.02437	5.8
129.01961	2.7
131.03514	31.5
132.03860	1.0
141.72568	0.6
143.03488	4.9
147.04341	0.6
149.04575	13.2
156.77060	0.6
159.03012	4.6
161.04570	25.0
191.05621	2.4
215.05620	1.1
233.06616	4.8
235.50517	0.6
291.18018	0.9
293.08743	0.8
296.58780	0.6
305.19708	81.3
306.20041	6.7
396.93262	0.7
437.23941	73.5
438.24338	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.6
61.98832	4.7
63.96192	3.5
69.30586	33.6
71.01405	19.0
73.02948	4.9
78.95905	8.4
79.54617	3.2
82.95412	15.5
83.01352	3.4
85.02954	6.7
89.02439	15.1
89.79665	3.6
93.03440	8.1
96.96929	3.7
98.20594	8.2
101.02420	9.6
101.06100	19.0
113.02503	3.6
119.03507	3.4
121.78511	3.3
152.85735	3.8
161.04558	8.4
173.04559	6.3
185.13258	3.8
191.05649	10.0
224.53850	3.6
255.08557	3.9
351.45715	3.4
375.06680	4.7
401.18118	4.0
437.15948	100.0
438.16025	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	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
68.45392	0.7
71.01383	5.2
73.02944	1.8
81.03480	0.7
83.05029	1.3
84.45222	0.8
85.02948	2.6
87.00890	1.9
89.02451	2.4
93.03477	3.7
97.02947	0.9
98.45464	0.8
101.02444	3.1
109.02964	1.4
109.06554	1.0
111.04536	3.4
113.02450	1.7
119.05067	0.8
123.08202	1.0
125.06096	1.3
127.04022	0.8
129.01950	1.5
133.02835	0.8
134.03738	1.4
135.08168	0.8
136.05316	3.4
137.02449	2.1
139.07707	1.7
148.05275	0.9
151.07654	2.6
152.08441	3.6
155.03487	3.9
161.02235	0.7
161.09808	0.7
163.07611	1.2
165.01959	5.5
173.04561	11.5
174.04932	1.0
179.03532	5.0
180.04303	3.7
185.09778	1.7
186.10446	0.8
189.09225	1.0
191.05661	2.9
195.06653	6.0
196.07503	1.0
201.12849	9.7
202.13144	0.8
203.10823	5.4
204.11571	28.9
205.11884	1.3
210.05327	0.8
219.13922	26.5
220.14201	2.1
225.07639	3.5
227.09361	0.8
245.11842	1.4
257.17615	1.3
263.12894	100.0
264.13312	7.6
389.16168	4.4
419.26828	1.3
437.07672	3.1
437.18207	27.7
437.23816	8.4
437.28677	1.1
438.07144	0.8
438.18414	2.4
438.23779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46712	2.0
55.01874	7.4
57.03443	7.4
58.00602	3.4
59.01384	84.6
61.98818	3.9
62.92786	1.8
64.93043	2.3
69.03464	4.2
69.47279	14.5
71.01386	100.0
72.99308	4.7
73.02951	35.3
77.50214	1.7
83.01394	14.6
85.02956	43.3
87.00873	8.6
87.82016	1.8
89.02454	58.4
95.01389	3.9
96.96976	2.1
97.02945	6.7
97.06583	2.4
99.00893	17.8
101.01798	4.0
101.02454	66.3
111.00912	4.1
113.02466	31.7
115.92082	5.4
119.03488	4.7
125.02440	12.0
127.04069	2.3
131.03510	15.7
143.03484	5.3
143.10785	4.6
144.31532	1.9
145.03035	2.1
149.04572	18.4
159.02975	6.0
161.04561	34.5
191.05632	9.1
208.03865	2.6
231.06613	3.9
233.06680	7.8
269.10379	5.7
275.05530	2.5
293.08823	5.7
305.12488	2.7
305.16049	52.2
377.18280	2.2
401.14450	33.8
402.14938	4.7
437.11752	16.3
437.20273	81.5
438.12497	3.5
438.20532	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	437.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13087	0.5
53.84949	0.4
54.67242	0.5
55.57848	0.4
56.43354	0.5
57.03453	0.8
59.01387	7.6
61.50040	0.4
61.98845	1.2
67.01901	3.3
69.03468	1.2
71.01385	4.4
71.57452	0.7
72.00256	0.5
72.28536	0.5
73.02939	0.7
75.00920	0.5
81.03472	0.6
83.01399	0.7
83.05037	1.0
85.02950	1.0
87.00894	0.8
89.02454	1.0
93.03468	20.1
94.03820	0.7
101.02480	2.4
101.06092	34.8
102.06444	1.1
103.03999	0.5
111.00885	1.2
111.04523	4.3
113.02454	0.8
119.03609	0.4
125.02480	0.5
133.02945	0.7
135.04520	0.5
137.02458	5.2
155.03510	5.1
161.02425	1.1
173.04561	100.0
174.04893	3.0
205.32565	0.6
211.42920	0.6
259.84052	0.5
275.11389	67.8
276.11710	4.5
291.18155	0.8
377.29108	0.7
437.22217	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	435.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81010	0.2
52.09018	0.2
52.90075	0.2
57.03450	11.6
58.03767	0.2
59.01374	0.6
83.01395	0.7
96.96015	0.2
98.19893	0.6
104.02458	0.2
125.02451	100.0
126.02785	3.1
133.29601	0.2
133.44643	0.2
141.46884	0.2
151.00314	0.2
167.03522	0.3
213.86092	0.2
214.83604	0.2
265.21652	0.4
391.29041	0.2
408.33282	0.2
417.22348	0.3
435.23935	0.9
435.30099	0.7
436.23825	0.3
436.29279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	46.2
60.01717	8.1
61.01802	6.1
61.98835	100.0
62.63535	1.8
70.88636	5.0
71.01386	4.2
85.02981	2.3
90.78391	1.8
91.88712	1.5
99.30686	1.7
101.02445	5.0
114.82370	1.7
154.59500	1.6
161.04497	3.1
166.58440	2.0
191.05563	2.4
222.79158	1.7
376.22964	2.5
385.28647	1.8
436.22580	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	437.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.7
58.00595	5.6
59.01387	100.0
61.98874	5.4
69.31808	6.7
69.32214	37.7
71.01385	83.5
72.99334	9.6
73.02940	26.9
73.70293	4.9
75.00863	7.5
83.01402	12.3
85.02973	25.9
85.06622	7.4
89.02459	72.9
93.03472	6.5
97.02952	4.8
98.19935	9.5
99.00899	19.0
99.04533	14.6
101.02446	55.0
102.02696	5.8
107.05053	8.5
113.02496	26.1
114.44196	4.8
119.03526	10.4
123.04559	6.8
125.02472	32.2
125.09768	7.3
131.03551	10.1
131.07144	32.3
134.03706	5.1
149.02443	5.9
149.04561	11.2
155.03593	5.9
161.04579	31.9
164.04874	10.8
173.04561	10.4
179.07146	14.3
191.05627	27.3
201.09314	4.8
201.11226	23.6
227.09167	7.8
233.06664	18.9
241.40913	4.8
293.08783	63.0
294.09247	9.4
305.16003	21.6
306.48788	4.7
319.60492	4.9
341.32672	5.5
401.14560	21.4
419.26535	14.7
437.11987	47.6
437.23541	22.3
437.27805	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	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03457	1.2
58.00600	3.3
59.01383	82.1
60.01724	0.6
62.21449	0.5
69.03438	0.8
70.64203	0.4
71.01386	70.2
71.55394	0.5
71.55842	0.6
72.01725	1.1
72.99309	3.8
73.02950	14.0
75.00876	0.9
76.19309	0.5
78.95879	0.6
79.37171	0.5
81.03473	0.5
83.01392	2.9
85.02959	10.0
87.00886	4.6
89.02451	100.0
90.02782	1.6
95.01405	2.1
97.02966	1.6
99.00888	19.0
99.01542	0.9
101.02449	40.7
102.02785	0.9
102.75854	0.5
111.00876	1.0
113.02457	15.3
114.34926	0.5
115.03989	1.0
119.03508	12.7
125.02471	4.4
131.03510	24.9
143.03503	2.2
149.04564	55.9
150.04921	0.9
161.04582	3.1
173.04614	0.7
179.03531	0.5
179.04004	0.6
179.05603	4.2
191.05618	18.4
221.06760	1.0
233.06659	1.4
251.07602	2.3
275.80713	0.6
293.08817	0.8
303.18219	0.6
323.68582	0.5
435.22369	16.0
435.29114	1.7
436.22607	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03454	1.6
58.00595	3.3
59.01383	88.1
60.01711	1.5
61.98819	0.5
69.03478	0.7
71.01385	68.7
71.55862	0.9
72.01732	0.7
72.99322	3.3
73.02950	9.6
75.00887	1.3
83.01385	3.6
85.02962	11.5
86.00105	1.3
87.00352	0.5
87.00882	9.2
89.02450	100.0
90.02766	1.7
93.03456	1.0
95.01391	0.9
97.02988	0.6
99.00890	1.1
101.02450	42.3
105.31820	0.5
111.00874	1.0
113.01724	0.8
113.02463	12.3
113.77740	0.4
119.03501	6.6
125.02450	3.1
125.98171	0.5
129.01952	0.5
131.03511	44.2
132.03816	1.1
143.03456	1.0
149.04562	61.5
150.04869	1.6
161.04512	0.8
173.04507	1.6
177.01967	2.3
179.05544	1.9
191.05620	22.9
284.49728	0.5
303.18005	1.4
323.68646	1.3
435.22095	5.0
435.27548	0.6
436.22363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54991	1.8
55.01868	5.6
55.21869	2.0
57.03456	10.5
59.01385	100.0
60.01726	2.3
61.98828	7.8
68.99831	14.7
69.03424	2.1
69.25293	18.5
71.01387	63.1
71.01783	3.0
72.99301	3.5
73.02955	23.2
75.00876	6.0
83.01397	17.5
83.94916	2.1
85.02959	34.4
87.00880	4.6
89.02448	13.4
90.07133	1.8
93.03473	4.6
95.01381	8.0
97.02950	2.5
99.00882	5.8
99.04517	3.0
101.02454	55.3
109.02957	6.0
112.72592	1.8
113.02451	22.0
119.03520	2.6
122.82001	1.9
123.00910	9.0
124.01720	2.3
125.02476	18.3
133.02940	2.5
134.03787	1.9
137.02444	8.8
138.03262	20.3
139.03978	4.9
143.03551	4.5
149.02461	4.5
151.03987	6.8
153.01935	19.2
153.05579	35.7
159.02977	3.6
161.04555	22.4
162.03262	3.4
163.00320	3.0
163.04013	3.0
165.01929	16.4
167.03558	3.9
168.04294	95.5
169.04611	3.8
173.04562	4.3
175.00308	7.0
176.01163	37.5
177.01933	21.8
177.05571	2.9
178.02737	15.3
179.03381	3.3
180.04250	5.2
181.05070	27.9
191.03540	38.8
191.05420	4.0
192.04312	48.5
193.01456	32.6
193.03262	3.8
193.05026	23.1
194.01962	2.3
195.06546	2.5
196.07381	17.7
197.04533	2.1
207.06633	78.7
208.01941	3.6
208.03787	43.8
208.06831	3.2
209.04570	9.4
211.09744	15.0
223.06123	96.2
224.06766	13.2
225.07622	2.7
238.04796	6.5
270.33728	2.0
273.07666	6.6
289.16605	81.9
290.16891	4.0
355.41422	2.0
359.90604	2.0
405.15457	2.9
435.16501	68.5
435.22205	33.4
435.30011	4.5
436.16818	6.3
436.22305	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03451	42.5
58.00585	1.9
59.01384	100.0
61.98816	5.6
69.39691	12.7
71.01385	59.4
71.04990	2.0
72.99328	3.2
73.02947	23.7
75.57076	1.5
78.19264	1.5
80.05011	1.9
81.03455	4.4
83.01385	9.4
83.05033	3.8
84.95135	2.2
85.02948	22.9
87.00880	6.2
89.02447	28.9
93.03476	10.1
95.01398	2.2
96.96009	9.2
96.96952	3.6
97.02950	2.1
99.00870	9.7
99.04522	56.0
101.02445	44.2
103.71062	1.6
109.02951	4.0
111.00914	1.5
112.04710	1.7
113.02447	19.2
119.03519	3.9
119.05018	2.7
121.02953	2.7
122.06116	3.0
123.04523	10.7
123.08112	3.4
125.02450	30.2
127.04005	2.0
131.03513	4.2
135.03632	1.7
135.04521	9.4
137.02406	9.2
137.06067	1.9
141.09213	5.7
143.03488	2.4
145.02953	2.3
148.97202	2.0
149.02455	1.8
149.04575	6.3
150.03215	2.6
150.05603	3.1
155.64503	1.7
159.02946	4.0
161.02431	5.7
161.04570	25.8
162.05655	3.9
163.04051	2.7
165.05490	2.8
165.72920	1.5
166.02670	4.9
168.98271	1.9
173.04568	20.6
174.04836	2.6
179.03474	6.0
179.05646	1.9
181.05063	6.8
191.05611	24.3
192.05984	2.8
201.11307	2.7
203.05685	2.3
204.06689	3.6
209.04568	4.0
215.08258	2.6
222.04019	5.9
229.06534	2.0
229.08662	5.2
233.06606	5.7
234.53854	1.7
241.09804	2.0
243.07719	5.6
257.09369	12.2
259.10828	3.6
265.19421	1.8
269.09351	2.6
271.10782	5.4
273.07599	2.5
273.12390	1.7
291.10843	3.8
293.08719	3.0
301.08374	6.8
303.10144	3.0
303.14413	21.1
327.08685	4.9
327.13452	2.8
331.09589	2.5
333.11911	4.8
337.09213	2.5
345.14481	5.6
353.08490	2.7
353.59030	2.9
357.13239	9.7
391.11334	14.3
392.66489	1.9
417.16992	2.1
435.09650	2.4
435.13181	4.5
435.18317	45.6
436.19058	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	435.1298
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03453	2.3
59.01383	35.6
60.01719	1.0
61.98853	2.1
65.00325	0.8
69.23000	4.4
71.01386	2.6
73.02951	1.1
74.19571	0.4
75.32021	0.5
81.03458	10.8
83.01398	4.7
85.02979	1.3
87.81228	0.4
89.02469	1.2
91.59367	0.4
93.03471	6.2
95.01378	0.6
95.05022	0.5
99.04516	0.5
101.02441	1.9
107.01382	1.2
113.02473	1.0
114.71309	0.4
117.41833	0.5
119.05037	10.0
119.81943	0.4
123.04536	31.0
123.72580	0.4
124.04855	0.5
125.02462	13.3
126.02795	0.7
130.46078	0.5
135.04550	1.6
149.02441	2.1
151.00395	3.4
161.04530	1.4
165.05600	0.6
167.03510	78.8
168.03853	2.8
173.04543	0.5
179.03499	10.0
180.03822	0.5
189.05582	1.3
191.03542	1.5
191.05537	0.5
209.06587	0.5
211.07619	0.4
255.06635	1.0
273.07690	100.0
274.08014	8.8
297.07730	0.8
375.23770	1.8
434.28329	0.6
435.12967	0.7
435.22272	1.5
435.28979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15149	0.5
55.11927	0.4
55.62771	0.5
57.03444	1.8
58.51166	0.4
59.01385	36.5
60.01721	0.9
61.98846	3.0
65.00343	0.7
69.03452	0.5
71.01367	2.2
71.55256	0.7
73.02956	0.9
73.40747	0.5
81.03459	11.3
83.01393	4.5
85.02969	1.9
89.02457	0.8
93.03465	7.7
95.01334	0.5
95.05058	0.5
99.04504	0.6
101.02463	1.7
107.01436	1.0
111.04551	0.9
113.02444	1.1
119.05044	10.4
123.04535	29.7
125.02463	14.2
135.04512	1.3
137.02441	0.6
149.02452	2.4
151.00432	2.9
159.03038	0.6
161.04520	1.3
167.03508	78.9
168.03862	2.5
173.04608	0.9
179.03514	9.2
189.05612	2.2
191.03542	1.0
191.05397	0.7
229.08725	0.7
255.06544	0.7
273.07700	100.0
274.08054	7.4
301.43619	0.5
315.08682	0.5
375.23590	2.7
417.28806	0.8
435.12808	0.8
435.22192	1.7
435.29529	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	435.13
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
51.81284	0.5
54.14391	0.6
54.21815	0.6
55.01873	0.8
57.03463	0.7
59.01103	1.0
59.01383	9.3
59.61806	0.6
61.98812	0.6
65.00345	0.6
65.06966	0.5
67.01890	1.4
69.03473	0.8
69.82278	1.1
69.82686	2.6
71.01389	6.4
73.02960	1.5
75.00887	1.6
78.95799	0.6
79.05517	0.9
79.39620	0.6
80.91681	1.3
81.03464	30.6
83.01382	1.6
85.02959	3.8
87.00863	1.1
89.02459	3.9
93.03468	7.1
94.03797	0.7
94.67007	0.6
95.01402	2.2
98.20042	0.9
99.00897	1.0
99.04541	0.8
101.02467	3.9
106.04260	3.9
107.01374	0.9
108.02180	2.4
109.02972	3.9
113.02466	2.6
119.03477	1.2
121.02997	0.9
122.03815	0.8
123.04536	100.0
124.04875	2.3
125.02467	1.8
135.04535	2.7
137.02483	4.7
149.02463	5.7
151.03961	0.7
161.02492	0.9
161.04558	0.8
167.03452	0.8
173.04564	2.0
185.06042	1.4
186.22145	0.8
187.07600	1.8
191.05583	4.8
192.05957	0.8
207.59912	0.7
211.07599	0.8
227.07153	1.5
228.53226	0.6
229.08701	77.7
230.09009	5.4
255.06630	20.6
256.06967	1.3
273.07700	43.9
273.17075	1.0
274.08026	3.6
391.11316	1.0
432.10712	0.7
435.13010	82.0
435.21948	10.3
436.13440	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	434.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28072	2.7
59.01369	4.6
61.98833	100.0
70.55987	2.6
71.54327	3.8
78.50845	2.5
78.95909	42.0
82.38145	2.6
96.96964	5.0
141.53725	2.7
152.98384	4.5
152.99596	63.6
193.07193	3.2
211.62012	2.9
294.73273	2.7
391.32007	4.2
423.41724	2.9
434.33560	5.9
435.25067	4.7
435.34811	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	433.2361
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
56.35424	0.3
59.01379	0.4
60.84430	0.2
65.84838	0.3
69.52074	1.8
71.18359	0.3
78.95911	55.9
79.19621	0.3
90.30386	0.3
96.96976	5.9
103.46160	0.3
126.02760	0.3
150.98047	1.9
152.99606	100.0
153.99986	1.3
171.00653	4.3
209.81424	0.3
270.67929	0.3
279.23364	1.4
433.23596	6.3
434.23904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10044	0.4
55.01901	0.3
55.84359	0.4
59.01385	100.0
60.01724	0.8
61.10446	0.3
61.98833	1.3
69.35648	2.7
71.01389	5.8
73.02966	1.6
83.01426	0.4
85.02937	2.2
87.00877	0.4
89.02454	1.8
95.01421	0.4
99.00906	0.4
100.01414	0.4
101.02448	4.4
104.44276	0.4
113.02444	2.5
119.03542	1.2
141.49956	0.4
143.03601	0.5
159.03015	0.6
161.02490	0.4
161.04564	3.9
194.06973	0.4
245.85222	0.3
271.68634	0.4
373.22418	3.0
374.22644	0.5
433.24664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03453	5.3
58.00605	3.6
59.01385	100.0
60.01718	0.9
61.98831	1.0
65.00316	1.1
66.60089	0.6
69.03454	0.8
69.38884	5.1
71.01388	59.2
71.05012	0.8
72.01750	0.8
72.99298	3.3
73.02950	9.7
81.03467	1.0
83.01392	5.9
85.02958	17.6
86.89594	0.8
87.00878	3.4
87.04530	6.0
89.02451	51.1
93.03449	5.1
95.01402	4.3
97.02960	1.2
99.00913	2.8
99.04542	1.9
101.02452	39.2
110.13701	0.6
111.04507	1.2
113.02458	23.7
113.06088	0.8
119.03515	22.9
119.04959	5.5
120.03919	0.7
121.02988	0.9
125.02466	3.7
127.04097	0.7
131.03540	2.1
131.79678	0.7
133.03014	2.5
135.04558	4.5
137.02444	1.3
143.03528	3.9
145.02953	1.0
149.04585	1.9
151.00372	4.2
155.03502	0.9
159.03058	2.5
159.06699	0.9
161.02510	6.3
161.04567	14.4
161.13329	0.7
165.02060	0.9
173.04568	3.8
177.01913	0.9
179.03564	4.0
179.05608	8.9
182.90099	0.7
187.04138	0.7
191.03972	0.5
191.05620	16.4
192.06178	0.8
193.01373	3.4
205.01599	0.7
223.07655	0.9
227.07231	1.1
249.05499	0.8
253.14478	8.9
265.05325	0.8
271.06110	5.4
271.15997	1.4
271.19296	6.9
285.75217	0.8
295.06189	1.3
313.07175	13.9
314.07693	0.9
322.04517	0.8
338.03857	0.8
339.05118	4.7
340.05801	0.8
343.08533	2.8
352.58359	0.9
353.08929	1.5
391.23657	2.2
433.11612	2.3
433.15439	1.8
433.24765	40.8
434.24945	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
58.00589	1.7
59.01388	45.6
71.01389	22.0
71.16667	0.8
71.17020	0.7
72.99310	1.6
73.02945	0.7
79.69370	0.5
83.01398	1.0
85.02961	4.8
87.00867	0.8
89.02454	20.5
95.01400	1.5
97.06625	1.0
101.02462	9.3
113.02460	7.3
117.42331	0.6
119.03514	7.2
123.08139	0.6
143.03467	0.8
151.75644	0.6
160.09264	0.6
161.04567	0.7
168.57077	0.6
173.13379	1.4
179.05615	1.7
191.14441	8.0
192.14806	0.7
198.41214	0.6
209.15483	60.7
210.15829	3.3
211.13481	0.8
217.12486	1.0
226.70403	0.6
235.13452	3.4
253.14467	100.0
254.14847	6.9
271.15533	1.6
323.63049	0.6
414.72693	0.7
433.20789	35.2
434.21298	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21011	0.5
57.03453	0.8
58.00611	0.8
59.01384	100.0
59.06091	0.4
60.01713	1.2
61.98837	0.9
69.44548	0.5
69.44887	4.0
71.01391	11.3
72.99308	0.7
73.02956	2.3
83.01406	1.2
85.02962	4.2
87.00871	1.0
89.02446	8.5
93.03433	0.6
95.01379	1.2
99.00871	1.0
101.02454	8.1
108.02172	1.3
111.08272	0.5
113.02455	4.4
115.23199	0.5
116.92866	0.6
119.03458	2.4
131.03531	0.9
132.51385	0.5
133.02992	0.6
135.04510	0.9
139.00327	0.7
149.04521	1.0
161.02461	2.3
161.04573	2.8
173.04527	0.9
179.03648	0.7
191.05623	4.3
209.15474	1.5
213.57359	0.6
253.14284	1.9
271.06024	2.1
301.16769	3.6
339.05075	0.7
373.12820	2.3
373.22159	1.2
391.23099	0.6
401.09619	0.5
403.14185	0.9
418.12857	0.7
433.15186	2.5
433.20560	27.8
433.27728	2.4
434.21039	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	433.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09557	4.2
59.01386	100.0
61.98815	4.5
70.96717	6.4
71.01397	10.7
75.00877	8.4
83.01466	5.1
84.04713	3.6
85.02963	8.8
100.42931	3.8
101.02431	8.2
113.02490	6.5
128.08978	3.7
147.52217	3.8
161.02464	4.1
173.04504	6.9
175.04041	3.7
191.03471	6.6
204.65022	4.1
214.57190	3.9
228.75212	4.1
229.14732	4.9
336.04871	6.2
433.28772	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58033	2.8
57.03452	4.1
58.00613	2.5
59.01386	100.0
66.87669	3.2
69.03476	3.3
70.81809	2.7
71.01391	56.2
71.56586	2.9
73.02956	10.0
83.01405	3.8
85.02962	18.5
87.00890	5.5
89.02457	40.4
90.77314	2.5
93.03474	8.1
95.01375	4.7
99.00884	2.9
99.04534	5.3
101.02451	29.7
102.01006	2.7
109.02970	4.3
109.06652	2.9
111.04539	4.0
111.13248	2.6
113.02469	23.6
119.03509	17.3
123.08299	3.1
125.02467	4.0
131.03485	3.7
133.02962	11.1
135.04572	13.8
138.06892	5.5
143.03584	3.3
148.04123	2.8
150.68062	2.6
153.09245	17.5
161.02455	26.5
161.04532	23.3
173.04558	10.7
174.59741	2.7
179.03445	6.8
179.05655	7.2
191.05630	35.9
192.05972	3.1
208.90356	2.8
225.14961	31.5
229.01483	4.7
253.14503	19.6
267.06677	3.0
271.09659	3.6
287.26678	2.7
295.05972	4.5
339.05243	6.5
352.07785	5.7
387.20346	25.7
433.11389	6.4
433.20306	54.2
434.20755	4.3
437.27951	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73271	0.6
51.84951	0.7
57.03446	1.4
58.54047	0.6
59.01384	100.0
60.01725	1.3
61.98836	1.2
67.01897	1.1
68.63354	0.6
71.01385	10.5
71.03122	1.2
73.02952	2.4
75.00879	0.7
81.03475	0.7
83.01390	1.0
83.05042	0.9
83.79063	0.6
85.02962	4.6
87.00912	1.5
89.02446	5.8
93.03460	5.8
94.45573	0.6
96.96043	0.9
99.00889	1.7
99.04560	0.7
101.02448	6.1
109.02995	2.1
111.04513	1.1
113.02462	2.8
119.03559	2.3
125.02495	2.4
127.04066	1.1
133.02991	2.6
135.04553	4.4
139.07756	1.1
149.04619	0.7
155.03554	1.1
159.04478	1.0
161.02492	5.8
161.04550	3.3
163.04053	2.7
167.10808	0.8
173.04543	6.7
178.06413	3.2
179.03490	3.0
179.05574	1.1
181.05138	2.0
182.92784	0.8
191.05603	13.5
191.07144	0.9
193.08833	1.7
196.07495	2.4
203.03577	0.7
209.11942	0.7
211.09773	11.9
211.11664	0.8
223.95290	0.6
227.07112	5.5
228.07576	0.8
229.01468	1.4
240.39896	0.5
243.05978	0.8
253.10818	1.0
253.14554	0.7
265.05289	1.0
267.06720	1.0
269.08270	1.4
271.06342	2.6
295.06265	1.1
313.07349	0.8
339.05270	2.5
352.07950	1.4
353.08911	0.8
373.15259	1.9
397.06287	0.7
433.11264	1.5
433.16650	2.1
433.21014	6.6
434.11459	0.6
434.21420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
52.89921	1.4
55.01882	1.7
55.30042	1.3
56.20497	1.1
58.00594	3.5
59.01384	80.6
67.39545	1.3
69.03461	7.5
71.01388	81.1
71.26604	3.1
72.99320	4.5
73.02956	11.6
75.00873	3.5
78.95906	31.7
81.03465	4.3
83.01381	6.1
83.48394	1.5
85.02967	11.2
87.00898	3.2
89.02451	100.0
90.02785	2.0
93.03466	4.3
95.01411	3.0
96.96056	6.5
96.96967	56.4
97.02949	13.7
99.00897	14.4
99.04549	1.8
100.01196	1.6
101.02445	19.8
111.00949	1.4
113.02459	10.4
114.48476	1.3
115.04014	7.9
119.03494	4.0
121.02974	6.2
123.00916	6.6
124.01679	35.8
125.02458	59.8
126.02744	1.4
127.03992	1.7
131.03523	8.5
136.38757	1.4
137.02435	5.8
139.03091	2.3
139.04025	64.1
140.04384	2.6
143.03520	4.5
149.04570	14.7
161.04553	4.2
166.92319	1.3
173.04550	2.6
191.05627	14.2
196.70900	1.2
198.35954	1.5
215.05682	2.3
225.65302	1.6
233.06676	31.8
234.07053	2.2
293.08780	42.0
294.09180	3.4
335.13391	7.1
375.06824	1.5
433.13443	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.1
68.22680	0.5
69.56973	3.8
71.01387	4.2
73.02955	0.6
73.91357	0.6
85.02966	2.8
89.02472	2.5
93.03484	2.8
101.02453	2.7
109.02962	1.0
113.02492	0.7
133.02940	1.4
133.10559	0.6
135.04536	3.2
137.02399	0.7
153.01917	0.9
155.03607	0.9
159.04541	1.2
161.02425	3.4
161.04617	2.0
173.04520	4.1
179.03560	1.6
181.05103	4.4
191.05634	11.6
192.04465	0.8
196.07393	4.6
202.78493	0.7
203.03455	0.6
211.09796	6.1
214.56824	0.7
219.06488	0.7
229.01555	1.9
269.08313	0.7
321.04144	0.7
339.05264	2.0
352.07977	1.2
352.35370	0.5
353.08914	0.6
373.13342	0.7
385.13193	1.7
403.14188	1.8
415.14270	1.5
433.16351	1.4
433.24875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01380	12.5
61.01799	1.2
61.98834	100.0
69.60115	5.0
71.01395	5.7
72.99316	0.9
74.82452	0.7
84.18906	0.7
85.02964	1.8
89.02461	3.0
93.03472	1.6
101.02451	2.6
113.02463	1.9
119.03539	1.0
153.01987	1.3
161.02582	1.3
161.04614	1.2
173.04633	0.8
174.35721	0.8
177.05510	1.0
191.05626	9.9
192.06000	3.4
202.88478	0.8
204.89641	0.7
207.06709	1.4
212.16362	0.8
214.09689	1.0
258.08575	1.9
258.17813	1.2
372.12085	0.9
432.14023	3.1
433.24503	1.4
452.42371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0779
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.04756	0.3
54.31372	0.3
55.01876	0.5
57.03440	1.0
59.01386	100.0
60.01722	1.0
60.40475	0.3
65.00333	0.4
69.24358	3.5
71.01393	7.2
71.53158	0.4
73.02954	2.1
83.01400	1.4
85.02957	2.9
87.00884	0.5
89.02470	2.9
93.03487	0.9
95.01370	0.5
98.19866	0.7
99.00937	0.7
99.04537	0.6
101.02454	4.3
107.01397	2.0
108.02182	2.9
109.02988	1.1
109.76315	0.4
113.02472	2.6
119.03532	0.5
121.02988	1.7
125.02467	0.6
133.02982	0.9
135.00928	0.5
135.04553	1.2
142.84924	0.4
143.03552	0.8
148.01657	1.0
151.00372	6.8
161.02437	1.6
161.04591	3.8
163.00388	1.7
173.04567	0.8
177.01817	0.4
178.99876	2.9
179.03481	0.5
188.37099	0.4
191.05638	5.5
201.05579	0.5
211.04010	0.8
215.03523	0.7
216.04100	0.5
222.62088	0.4
226.02721	1.7
227.03464	1.9
243.02988	7.2
244.03661	0.5
245.04584	0.9
253.14450	1.8
254.02237	1.4
255.03001	15.8
256.03415	0.7
271.02496	36.8
272.02982	3.5
273.04086	0.8
283.02368	0.7
299.02109	0.7
300.02774	57.1
301.03500	34.5
302.04007	2.8
315.06531	0.4
339.05075	2.0
373.22290	4.2
433.07761	36.3
433.20578	1.7
434.08127	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	433.114
Annotation	Monospermoside
Peak:m/z	Relative Intensity
55.01911	0.7
57.03458	7.4
58.00596	0.9
59.01385	23.6
60.47039	0.6
63.02400	3.0
64.98862	0.6
65.00330	7.4
65.03981	0.7
67.01902	0.7
68.99831	0.9
71.01392	15.1
71.05022	0.6
71.56798	0.9
72.99304	0.8
73.02959	4.1
80.39588	0.7
81.03468	1.0
83.01398	7.1
83.05066	0.6
85.02959	7.4
87.00883	1.7
87.04522	4.5
89.02452	7.2
93.03467	8.0
95.01415	1.9
99.00899	1.4
99.04540	4.6
101.02448	10.4
107.00721	1.3
107.01406	14.7
108.02181	5.3
109.02980	12.7
111.04549	1.4
113.02467	7.4
117.03458	2.2
119.03633	4.3
119.05038	27.8
120.05415	1.3
121.10262	1.2
123.04559	0.8
125.02480	5.1
132.02231	1.7
133.02969	34.5
134.03340	1.3
135.04539	14.5
137.02466	2.3
143.03554	0.8
143.05054	1.1
145.02960	4.3
149.02431	1.2
151.00388	51.1
152.00723	2.0
155.03510	0.9
159.03133	1.0
159.04440	0.8
161.02463	100.0
161.04625	3.8
162.02834	5.3
165.01891	3.9
169.01439	3.1
173.04565	2.8
177.01904	5.1
177.05542	1.0
178.02731	0.8
179.03520	8.2
179.05115	0.8
179.05666	0.9
181.04919	0.7
185.06104	2.1
187.04019	1.8
187.09720	3.1
191.05627	10.0
192.05994	1.2
193.01343	1.3
199.07631	0.8
209.06100	0.9
221.04619	0.8
227.07088	1.7
253.05194	0.7
253.14410	2.6
267.06644	1.2
271.06143	81.6
272.06458	6.1
289.13046	3.9
295.06128	1.4
313.06668	4.3
316.59735	0.8
323.07779	5.1
329.10315	0.9
339.05035	2.6
343.08203	1.5
403.14032	1.9
433.11389	73.5
433.20740	6.0
433.24710	4.5
434.11746	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.00600	1.3
59.01384	100.0
59.46970	0.6
60.01719	0.9
69.03468	1.0
71.01389	26.3
71.05027	0.7
72.99332	0.8
73.02953	25.7
83.01388	6.8
85.02958	5.9
87.00893	1.5
89.02451	12.0
96.96038	2.1
97.02995	0.7
99.00900	1.2
99.04562	2.1
101.02453	25.9
111.08225	0.9
113.02462	10.7
119.03510	5.3
125.02456	1.1
131.03534	2.6
143.03557	2.3
149.04588	2.6
153.09218	8.0
161.04585	6.5
163.89615	0.9
165.88066	0.8
179.05644	1.4
207.13895	1.8
209.15454	6.4
227.16524	1.1
251.12885	5.5
357.60342	0.9
371.20859	5.0
372.20917	0.9
389.21988	3.1
430.69604	1.2
431.19330	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3168
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
56.00886	0.4
59.01384	3.0
61.98858	0.4
70.17572	1.8
71.01387	17.7
71.05027	13.3
78.95915	1.0
86.34418	0.4
89.02441	0.6
98.20022	0.5
99.04527	2.8
152.99579	2.1
169.34892	0.4
212.95920	0.4
241.60083	0.4
291.23315	4.7
303.23212	0.4
339.23508	0.6
341.24832	2.4
355.26450	1.9
357.27954	4.0
358.28177	0.5
359.29562	25.8
360.29913	3.1
369.27896	2.3
371.29568	8.0
372.29980	0.7
373.27579	2.0
387.32877	3.1
391.28613	1.6
403.28558	4.4
413.31183	0.5
431.31738	100.0
432.32086	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	431.3168
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
58.66270	0.4
59.01383	3.2
61.98830	0.7
63.98792	0.3
71.01389	0.4
71.55585	0.4
83.04042	0.4
89.87203	0.4
102.16848	0.3
182.59410	0.4
250.88821	0.4
253.64339	0.4
359.29535	0.7
367.26581	0.9
369.28134	0.8
383.29593	2.1
385.20316	0.5
385.31140	5.4
386.31686	0.6
387.25122	0.4
387.29160	1.5
387.32944	1.3
399.34280	0.4
411.29056	0.9
431.31860	100.0
432.32233	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	431.3168
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
50.57282	0.3
59.01385	0.4
64.72354	0.3
71.01297	0.6
71.05025	16.5
83.56560	0.3
89.93802	0.3
93.12637	0.3
99.04537	1.5
112.52653	0.3
119.78004	0.3
285.22385	0.5
291.23416	2.1
292.23663	0.5
305.88272	0.3
339.23474	0.7
341.24866	3.3
342.25122	0.5
355.26459	3.1
356.26767	0.4
357.27985	5.2
358.28143	0.5
359.29572	28.1
360.29990	3.6
373.27383	1.1
391.28558	0.6
403.28485	1.6
431.31696	100.0
432.32059	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	432.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.8
71.01391	5.4
71.56057	0.4
73.02946	0.5
85.02956	0.9
87.00857	0.4
89.02446	5.5
98.70991	0.4
99.00920	0.4
101.02438	2.3
108.02185	11.6
109.03036	0.5
110.03249	0.4
113.02463	1.3
116.92935	0.4
119.03531	1.0
123.03286	6.3
125.02483	2.0
127.76799	0.4
131.03516	1.1
133.63742	0.4
135.04549	0.5
138.01987	100.0
138.05617	73.3
139.02333	3.2
139.05946	2.8
149.04543	2.0
161.04610	0.9
173.04567	1.0
180.06741	0.7
191.05591	2.0
233.06635	1.0
292.55191	0.4
293.08759	1.7
295.11987	0.4
300.10934	1.6
432.15115	7.5
433.15616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03450	1.0
58.00602	1.2
59.01385	100.0
60.01732	1.0
60.86452	0.3
61.80094	0.3
61.98855	0.6
67.01905	0.4
67.28009	0.3
71.01389	25.3
71.05016	0.5
71.57029	0.4
72.01745	0.3
72.99317	1.3
73.02956	12.9
74.03281	0.4
81.03491	0.6
83.01396	4.4
83.05065	0.6
85.02961	7.8
86.92928	0.3
87.00880	1.6
89.02453	13.1
93.03465	2.5
95.01392	2.0
97.02958	0.7
99.00903	1.3
99.04539	0.5
101.02452	15.8
111.04544	0.4
113.02460	13.9
114.02789	0.5
115.92110	0.6
119.03513	4.9
119.16422	0.3
125.02494	0.9
131.03551	1.2
133.02962	0.4
135.04503	0.9
137.02457	0.5
138.06902	0.4
143.03551	1.7
149.04602	0.5
153.09235	0.9
155.03487	0.4
156.06010	0.3
159.03049	0.6
161.02434	1.1
161.04579	7.1
162.04907	0.3
165.12973	0.3
173.04536	3.5
175.83195	0.3
179.03513	0.6
179.05661	1.9
191.05640	3.9
191.14496	0.4
209.11893	1.1
211.03903	0.3
213.73332	0.3
221.06708	0.6
227.16544	3.4
239.03539	0.5
239.16675	0.4
251.12930	0.6
251.16551	0.4
257.04654	0.5
257.08368	0.5
269.04562	1.2
269.17676	1.2
295.14868	0.3
311.05759	0.4
337.03595	1.2
371.20731	5.7
372.21335	0.5
389.21811	3.5
395.19467	0.8
431.10123	1.0
431.23291	7.8
432.23557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01385	100.0
60.01725	1.2
61.98839	1.0
65.50687	0.5
67.53113	0.5
71.01395	12.9
71.15151	0.5
73.02968	2.6
75.00876	1.0
77.93557	0.5
79.91016	0.6
80.76649	0.5
83.01427	1.2
85.02966	4.3
89.02462	5.7
91.98847	0.6
96.95994	0.5
96.96953	0.8
98.20630	1.5
99.00903	1.0
101.02458	7.9
104.19797	0.5
113.02467	6.6
119.03482	3.0
143.03523	0.9
158.34991	0.5
159.03043	1.0
161.04567	6.7
173.04617	1.9
179.05630	1.4
191.05634	1.0
207.06671	0.6
207.14000	0.8
209.15477	1.3
216.24394	0.5
238.27133	0.5
251.12933	1.1
269.17801	0.7
299.84061	0.6
323.27591	0.6
368.99139	0.6
371.20767	5.4
372.12192	0.7
412.25623	0.7
431.23148	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	1.1
62.46521	0.5
65.50675	0.6
69.48844	3.3
69.49253	0.9
70.44058	0.6
71.01389	13.2
72.99313	0.8
73.02985	0.9
78.13958	0.6
85.02976	2.4
87.00874	0.6
89.02451	17.7
95.01433	0.7
99.04559	2.0
99.79152	0.6
101.02462	7.6
101.89503	0.6
108.60476	0.5
113.02468	5.7
119.03505	6.7
131.03508	0.8
143.03503	1.2
161.04619	1.3
179.05666	2.6
191.05774	1.1
207.13927	3.6
241.01579	1.1
245.00946	0.9
251.12900	16.7
252.13414	1.0
269.13974	1.1
431.06647	1.4
431.18658	5.0
432.19724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
58.00591	0.8
59.01387	100.0
60.01710	1.2
71.01390	11.8
71.55285	1.2
73.02971	1.6
85.02972	2.5
87.00877	1.2
89.02457	15.8
93.03490	0.8
97.60408	0.7
99.04558	1.3
101.02452	7.0
113.02476	5.6
119.03513	5.3
130.12112	0.8
131.03493	1.1
143.03531	1.3
149.04593	0.8
161.04588	1.6
173.04582	1.9
179.05667	2.7
191.05739	1.2
207.13971	2.5
209.11949	1.2
223.13293	0.9
227.03581	1.3
251.12923	5.8
255.03085	1.3
257.17740	1.1
269.13995	7.9
270.01859	1.2
270.14352	0.9
284.03433	1.2
285.04153	3.4
299.02069	1.0
371.17416	1.0
374.60416	0.9
430.70004	1.8
431.10190	1.7
431.19086	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	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01386	13.4
69.03426	0.9
71.01408	0.7
73.97816	0.7
74.08472	0.8
92.40980	0.7
95.05070	1.3
95.35847	0.7
97.06595	12.1
102.94462	0.7
106.26679	0.7
123.08179	6.5
125.09737	100.0
126.10078	3.6
143.10822	1.7
169.08731	2.4
187.09775	84.2
188.10110	3.1
261.13440	19.4
262.13776	1.5
431.22830	54.2
432.23267	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	431.2292
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01859	3.9
57.03428	3.7
58.00595	1.7
59.01389	53.4
61.72784	0.8
61.98810	1.3
71.01388	39.1
71.05001	2.2
71.56929	1.1
72.99295	2.2
73.02958	11.3
73.09470	0.9
75.00881	1.8
78.79000	0.8
83.01393	8.5
83.05005	1.5
85.02460	1.2
85.02957	20.0
87.00870	2.3
87.04538	4.2
88.98797	0.8
89.01958	0.8
89.02455	15.3
93.03454	1.6
95.01366	2.9
97.02988	1.2
97.06568	2.0
99.00896	4.3
101.02456	33.3
111.08105	1.2
113.01740	1.1
113.02455	16.4
119.03441	3.3
123.08131	1.6
127.11270	0.9
131.03499	1.1
133.82657	1.0
135.04474	1.1
157.12318	2.5
159.02985	1.5
161.02463	1.1
161.04555	7.2
173.04489	2.5
185.11661	0.9
191.05525	1.9
216.93863	0.9
236.77501	0.9
236.85414	1.0
251.12897	2.1
251.16408	1.5
269.17645	1.4
350.21109	2.0
365.59760	0.8
389.21848	1.1
431.22610	100.0
432.22971	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49101	0.4
55.01883	0.9
57.03443	1.0
58.00595	1.0
59.01385	100.0
60.01722	1.2
69.03484	0.4
69.27650	0.4
69.54720	0.8
69.55137	1.9
71.01385	14.2
72.99337	0.6
73.02954	4.9
83.01414	1.8
83.05054	1.4
85.02956	6.2
87.00944	0.7
89.02447	3.3
93.03486	0.5
95.01428	1.2
98.20707	0.6
99.00910	1.9
101.02457	8.4
109.41624	0.4
113.02467	6.6
119.03534	1.5
125.02489	0.9
133.02945	0.6
137.02505	0.5
143.03548	1.0
159.03067	1.6
161.02524	0.9
161.04561	8.5
173.04646	0.5
187.06627	0.4
191.05551	2.1
191.14386	0.5
197.15456	2.7
209.15543	2.0
225.14986	2.5
227.16537	13.8
227.18680	0.8
228.16914	0.9
237.38840	0.5
269.17734	1.8
297.27280	0.5
335.01941	0.4
337.03751	1.2
355.17593	0.5
371.20908	1.6
389.21863	4.2
411.87485	0.5
431.23727	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
58.00586	5.2
59.01105	5.9
59.01387	72.1
65.01659	3.2
69.63163	7.7
69.63573	19.2
71.01389	74.1
73.02947	18.0
83.01408	4.5
85.02940	25.6
87.00850	5.6
89.02456	46.1
89.20599	3.3
93.03465	3.5
95.01382	6.5
97.02953	6.4
99.00900	5.0
101.02449	44.0
109.02958	8.8
113.02451	32.9
117.05536	6.4
119.03491	15.8
120.34709	4.0
123.00901	3.8
123.04532	4.0
131.03568	4.1
137.02487	4.8
138.06876	8.1
139.07649	4.9
143.03510	6.5
151.07669	18.2
152.08434	22.3
153.01939	9.3
153.09230	66.9
159.03008	5.9
161.04587	48.3
173.04552	5.8
179.05600	8.5
191.05621	11.7
205.12280	25.4
223.13403	32.8
268.88159	3.9
315.13303	3.7
385.18671	100.0
386.18991	11.9
431.14337	7.1
431.19284	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	431.2204
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.37324	0.2
55.21962	0.2
59.01371	0.7
61.44384	0.2
62.96389	0.5
70.19017	0.9
78.95905	58.0
86.01295	0.2
96.96961	6.3
123.66856	0.2
150.98035	1.5
152.99590	100.0
153.99919	1.6
171.00645	4.2
192.45277	0.2
275.01422	0.2
277.21771	0.9
395.10651	0.2
431.22107	5.4
431.31677	1.4
432.22092	0.4
448.85873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27430	0.4
57.03455	4.4
59.01388	6.9
61.98816	0.7
69.03480	0.5
71.01388	0.5
83.05035	0.8
85.02963	0.7
88.75217	0.4
95.05049	0.8
97.06598	11.9
98.20663	1.4
101.02481	0.6
123.08176	5.8
125.09735	100.0
126.10086	3.7
129.01945	0.7
143.10805	1.0
169.08687	2.7
169.44215	0.4
169.65816	0.4
187.09767	76.7
188.10086	3.5
213.84525	0.4
243.12349	0.6
261.13455	19.6
262.13779	1.6
371.20630	0.5
431.22830	53.3
432.23087	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01920	0.7
58.00606	1.4
59.01385	66.4
60.01709	1.0
61.61085	0.7
69.54220	5.3
71.01389	29.1
72.99325	2.2
73.02956	2.5
78.29296	0.7
83.01397	1.4
85.02966	6.3
87.00900	1.0
89.02452	30.5
90.02755	0.8
95.01397	2.3
99.04537	18.6
101.02457	14.1
105.84663	0.8
106.09259	0.7
111.04490	0.7
113.02466	11.1
119.03529	11.4
131.03491	0.8
136.80161	0.8
143.03479	1.5
149.04495	0.9
153.09270	1.3
161.04582	1.7
163.14867	1.7
179.05624	2.3
189.12898	3.6
207.13905	22.4
207.15877	1.2
208.14172	1.3
241.01244	0.8
243.95348	0.7
251.12897	100.0
252.13251	8.7
269.13937	0.9
311.43463	0.8
313.13046	0.8
332.59656	0.7
431.06290	1.2
431.19199	31.0
432.19458	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	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47175	0.6
58.00593	1.5
59.01387	48.4
69.18771	7.0
71.01015	1.1
71.01392	20.7
72.99310	2.3
83.01404	1.0
85.02973	5.4
89.02457	20.5
95.01396	1.0
99.04531	25.8
100.04846	1.2
101.02457	11.1
111.04501	0.9
113.02464	7.6
119.03512	7.5
143.03499	1.2
153.95911	0.6
161.04564	0.7
179.05695	1.6
189.12886	5.2
207.13913	26.4
208.14287	1.7
233.11810	2.0
251.12904	100.0
252.13245	7.8
269.13950	1.6
354.76859	0.7
431.19257	49.5
432.19608	5.3
441.71204	0.8
454.03293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1563
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
58.00593	2.2
58.78296	0.8
59.01383	65.5
59.40240	0.7
69.44292	6.2
71.01387	53.3
72.01688	1.5
72.83975	0.9
72.99297	2.7
73.02953	20.2
76.64233	0.7
78.95932	0.9
80.91683	2.4
83.01395	1.6
85.02961	6.7
87.00863	2.1
88.98793	2.0
89.02451	100.0
90.02781	1.6
93.03451	1.3
96.96970	2.4
97.02942	1.7
98.19969	1.7
99.00887	33.6
101.02450	35.0
107.05028	2.1
109.02929	1.5
113.02457	9.6
119.03536	4.0
119.05019	6.7
123.04528	2.5
125.02484	5.5
131.03520	16.3
133.05020	1.4
134.15474	0.8
135.04556	5.8
136.04831	2.3
137.02452	2.7
137.05011	1.2
137.06070	1.5
143.03447	1.0
149.04567	54.0
150.04881	1.1
153.05547	3.7
161.04546	4.4
173.04488	2.0
189.09874	0.7
191.05630	18.0
191.07356	0.9
221.06709	1.9
251.07693	3.6
269.17368	0.9
293.08813	1.0
371.15811	1.5
431.15506	35.0
432.15839	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	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.64142	0.7
55.01886	1.0
58.00597	3.2
59.01385	66.6
66.06126	0.7
69.03458	7.0
69.39888	2.0
69.40308	4.7
71.01389	73.7
72.99311	3.2
73.02953	10.3
75.00883	3.1
79.01892	1.9
81.03482	6.5
83.01405	4.4
85.02963	6.7
85.30999	0.8
87.00877	1.7
89.02452	100.0
90.02779	1.1
93.03444	1.6
95.01384	2.8
96.96020	1.6
97.02955	10.9
98.19894	1.8
99.00887	16.5
99.04519	1.3
101.02453	16.5
106.04256	2.4
107.01321	0.9
107.05046	1.5
108.02160	1.1
109.02936	1.9
111.00863	1.6
113.02467	8.8
115.04024	7.7
119.03533	1.6
119.05042	5.4
125.02457	44.1
126.02807	1.3
127.04013	1.8
131.03522	8.5
136.01602	0.9
137.02463	30.7
137.06093	55.3
138.06450	1.7
143.03435	2.4
148.38152	0.8
149.04567	13.2
161.04572	2.8
161.18817	0.8
173.04486	1.1
191.05629	9.3
233.06673	41.3
234.07054	1.7
273.40692	1.0
293.08810	45.7
294.09198	2.1
431.11545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14980	0.8
59.01385	100.0
60.01728	1.5
61.86392	0.9
61.98838	3.3
62.00796	1.2
69.49743	5.5
71.01377	8.0
73.02944	2.6
80.11343	1.0
83.01398	0.9
85.02951	3.8
89.02459	5.9
91.26295	0.9
91.95912	0.9
98.20669	1.9
99.00921	2.0
101.02460	6.5
108.00702	0.8
109.02993	1.8
113.02433	4.0
119.03475	1.6
137.02434	4.0
138.05605	1.6
149.04604	1.6
153.01920	1.3
161.02451	3.5
161.04573	3.6
166.37653	1.0
176.04749	2.1
179.03593	4.6
179.05406	1.0
185.86156	1.0
191.05609	1.3
194.05902	6.6
209.08199	14.5
269.04773	1.0
312.21875	1.2
348.97266	1.0
431.15781	3.3
431.23077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01874	2.1
58.00586	3.5
59.01383	79.9
61.40894	1.4
67.85246	1.5
69.03456	1.6
69.41379	5.1
69.41804	6.5
71.01385	57.5
71.64620	1.8
72.99327	2.1
73.02959	13.4
85.02968	9.6
87.00899	2.9
89.02451	84.7
90.02770	1.9
91.75533	1.5
92.19419	1.5
95.01401	3.1
98.19934	3.0
99.00888	27.6
101.02447	31.5
108.02176	2.6
109.02927	2.7
113.02450	11.9
117.37879	1.4
119.03555	11.6
119.05041	20.2
125.02473	3.5
131.03532	11.0
137.02438	9.4
137.06082	2.8
143.03493	2.3
149.04578	33.3
152.01131	2.5
153.01945	2.5
179.05569	2.7
191.05589	9.8
227.99261	1.6
237.94455	1.6
248.41263	1.6
257.37601	1.9
299.11374	9.8
317.91223	1.8
329.90323	1.6
422.12378	1.9
431.15683	100.0
432.15836	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	431.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.1
59.01387	12.0
69.52077	1.3
69.52484	2.4
71.01387	7.9
72.99323	0.7
73.02959	1.9
78.44367	0.4
78.95902	3.1
83.44293	0.6
85.02958	1.8
87.00916	0.9
88.98801	2.0
89.02454	12.2
92.12662	0.5
93.03470	0.9
95.01405	0.6
95.88463	0.5
96.96019	1.3
96.96968	4.2
99.00884	3.2
101.02473	4.8
108.02166	0.8
109.02983	1.4
113.02452	2.0
116.92873	1.0
119.03517	1.5
119.05019	2.9
123.04416	0.6
125.02435	0.8
131.03516	1.3
136.01706	2.4
137.02460	100.0
138.02760	2.5
149.04576	3.9
157.73483	0.5
173.04550	0.8
177.35378	0.5
191.05695	2.6
199.93184	0.5
228.69965	0.6
299.11316	1.2
303.90152	0.7
365.01434	0.6
395.15964	0.6
402.16443	0.7
431.12076	16.7
431.16443	5.1
432.12454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.1
59.01387	12.0
69.52077	1.3
69.52484	2.4
71.01387	7.9
72.99323	0.7
73.02959	1.9
78.44367	0.4
78.95902	3.1
83.44293	0.6
85.02958	1.8
87.00916	0.9
88.98801	2.0
89.02454	12.2
92.12662	0.5
93.03470	0.9
95.01405	0.6
95.88463	0.5
96.96019	1.3
96.96968	4.2
99.00884	3.2
101.02473	4.8
108.02166	0.8
109.02983	1.4
113.02452	2.0
116.92873	1.0
119.03517	1.5
119.05019	2.9
123.04416	0.6
125.02435	0.8
131.03516	1.3
136.01706	2.4
137.02460	100.0
138.02760	2.5
149.04576	3.9
157.73483	0.5
173.04550	0.8
177.35378	0.5
191.05695	2.6
199.93184	0.5
228.69965	0.6
299.11316	1.2
303.90152	0.7
365.01434	0.6
395.15964	0.6
402.16443	0.7
431.12076	16.7
431.16443	5.1
432.12454	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	430.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80913	1.9
59.01397	3.3
61.98838	100.0
71.55471	2.1
117.59488	1.6
121.71976	1.9
221.95796	1.7
290.72806	1.7
431.30780	2.5
431.35837	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	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60588	0.1
57.81046	0.2
61.78835	0.2
70.84246	0.4
70.84586	0.2
81.03476	0.3
108.02180	0.6
109.02984	0.4
115.66045	0.2
136.01669	1.9
137.02460	100.0
138.02806	3.1
189.65906	0.2
199.09216	0.2
286.49316	0.2
431.11963	16.6
432.12418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
65.03975	0.2
69.34208	0.8
69.34624	0.5
71.01383	0.4
81.03474	0.3
82.03465	0.1
85.02953	0.2
87.98489	0.1
89.02454	0.4
93.03464	0.3
96.96053	0.3
99.15215	0.1
101.02443	0.3
108.02172	0.6
109.02978	0.5
119.32702	0.2
135.04544	0.2
136.01669	1.5
137.02455	100.0
138.02798	3.2
170.38312	0.2
173.04521	0.4
184.98517	0.1
431.11911	6.3
432.12393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.0
70.12557	2.4
71.01395	0.7
75.44955	0.5
75.72218	0.6
77.41557	0.5
90.41991	0.6
127.11328	1.7
141.12906	2.1
155.10805	1.4
155.14491	0.8
156.78876	0.5
157.12361	2.7
171.13968	0.7
223.20744	0.7
225.22238	0.9
239.23926	0.7
241.21721	0.7
253.21823	1.3
255.19666	3.5
265.21780	0.9
269.21210	10.1
270.21582	1.4
283.22717	3.1
285.20581	1.2
299.22299	7.7
312.64420	0.5
375.32837	1.1
393.34018	2.2
409.33319	2.1
411.29678	1.0
411.34799	7.0
412.35083	0.7
429.30093	5.9
429.35849	100.0
430.30029	1.0
430.36267	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	429.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01385	6.0
61.14202	0.6
61.98803	0.6
69.31898	5.7
101.02511	0.8
108.41756	0.6
116.46644	0.6
127.11301	0.7
133.44310	0.6
141.12856	1.6
155.14418	0.9
157.12358	1.7
169.12329	1.2
171.13869	3.1
196.02762	0.6
233.60817	0.7
239.20241	1.1
251.20108	1.3
253.21660	0.9
255.19704	9.8
269.21216	5.8
283.22726	1.8
285.20764	7.2
286.21170	0.7
299.22302	4.6
313.23901	0.8
350.07294	0.8
375.32748	0.9
385.30920	1.1
393.33749	1.0
409.33163	3.0
411.34760	5.8
429.30173	13.9
429.35794	100.0
430.30743	1.3
430.36151	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3011
Annotation	Homaxisterol C1
Peak:m/z	Relative Intensity
59.01387	4.6
61.98833	0.6
66.86610	0.4
69.41797	3.9
71.01392	2.5
71.05022	1.1
71.10487	0.4
73.61479	0.5
85.02938	0.6
96.95990	1.4
101.02515	0.6
113.87207	0.4
115.92081	3.8
133.06610	1.4
149.09669	0.8
152.99556	1.4
191.63602	0.5
293.21158	2.7
318.66953	0.5
325.21698	1.3
339.23251	2.7
341.24863	10.0
342.25272	1.6
353.24911	0.8
355.26260	1.0
357.27972	35.3
358.28326	5.0
365.28354	0.7
367.30167	0.7
369.27954	5.2
370.28256	0.8
385.31247	10.3
386.31686	1.4
396.38507	0.5
401.30817	2.2
411.29047	1.6
429.30090	100.0
430.30420	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3377
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
55.24171	0.1
57.32845	0.1
59.01393	1.0
60.27771	0.1
66.68892	0.2
67.06717	0.2
70.10649	0.6
75.30473	0.1
83.05017	0.2
89.02437	0.3
89.48441	0.1
97.12135	0.1
98.20006	0.2
106.82210	0.2
115.71432	0.1
116.55127	0.1
208.34436	0.2
233.02278	0.1
351.08188	0.2
429.33777	100.0
430.34106	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	429.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.05014	0.8
78.95911	1.7
93.77748	0.7
96.96022	1.9
152.99568	1.3
171.10316	1.1
293.21143	0.9
295.22867	7.2
355.26453	1.0
363.22522	0.9
367.26349	1.1
369.28101	4.7
370.28247	1.1
383.29761	1.6
385.20547	1.7
385.26981	1.1
385.31387	4.5
429.18945	1.8
429.30191	35.4
430.30124	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47960	1.3
53.49022	1.7
59.01385	100.0
59.85532	1.6
69.23643	16.0
72.99314	2.5
80.79112	1.5
91.03991	2.4
96.96017	2.9
134.01050	1.5
151.40439	1.5
226.09068	1.5
253.21912	1.6
295.22787	10.9
299.22092	1.6
317.24805	15.0
341.24896	2.3
357.27750	2.9
359.29108	1.8
369.27695	1.9
385.27197	3.8
385.31100	9.1
401.30466	4.6
411.28751	3.2
413.61618	1.8
429.29932	84.0
430.30573	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	429.301
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
59.01378	7.9
60.99321	1.0
61.98843	1.1
71.55609	1.7
82.81406	0.8
90.76040	1.0
96.37868	0.8
108.15321	1.0
146.72292	0.8
356.17337	0.8
365.28406	5.8
366.28735	1.0
367.30048	100.0
368.30414	14.8
385.31320	8.8
427.75452	1.0
429.30301	35.5
430.30682	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10220	0.5
54.51570	0.4
56.66977	0.4
59.01386	100.0
60.01726	1.0
69.26672	4.3
69.26993	0.5
71.01389	10.9
73.02966	1.0
83.01387	0.6
85.02953	2.1
85.36519	0.4
89.02454	14.0
95.01389	0.6
101.02450	5.0
102.85172	0.4
111.96461	0.5
113.02453	3.3
119.03519	5.4
137.09726	2.1
140.93254	0.4
143.03500	1.1
149.04637	0.5
161.04628	1.7
172.63133	0.5
179.05579	2.7
205.12317	0.6
369.19247	0.5
373.21246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22098	0.8
57.03469	0.8
58.00600	1.4
59.01386	100.0
60.01756	0.7
62.41188	0.7
63.26527	0.7
69.23662	7.6
71.01389	22.3
72.99313	1.2
73.02949	5.6
76.34543	0.6
78.11095	0.8
83.01407	2.3
85.02968	3.6
87.00897	1.0
89.02457	24.5
95.01412	1.4
99.04535	1.9
101.02455	13.2
113.02458	8.5
119.03515	11.8
119.48799	0.7
131.03560	1.3
143.03557	2.5
149.04619	1.1
150.55566	0.8
161.04578	1.5
161.13412	4.9
179.05733	3.0
205.12341	13.8
225.64713	0.7
237.23795	0.8
249.11327	14.8
250.11723	1.3
350.93021	0.9
429.17776	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89830	0.3
57.03435	0.3
58.00600	1.1
59.01385	100.0
60.01719	1.0
69.03468	0.5
69.18818	3.2
71.01386	12.5
71.05048	0.3
72.99320	1.2
73.02955	10.6
76.13537	0.3
78.13103	0.3
81.03487	0.3
83.01400	1.0
85.02959	5.2
86.00105	0.6
87.00879	3.2
87.01304	0.3
87.04536	1.0
89.02455	9.5
95.01388	0.5
97.02957	0.8
98.19940	0.7
98.71989	0.3
99.00925	0.4
101.02454	15.0
103.04021	5.9
104.32844	0.3
113.02470	2.6
115.04040	2.7
119.03511	3.4
119.79481	0.3
125.02474	0.9
127.04015	0.6
131.03520	2.7
135.04549	10.3
136.05043	0.4
138.06932	1.3
143.03525	3.9
145.05098	1.5
153.09224	3.6
161.04631	1.2
162.93471	0.3
163.06145	12.5
163.11435	0.3
164.06519	0.5
205.07173	7.0
207.13998	0.4
225.14992	6.1
226.15466	0.4
229.77113	0.3
243.73187	0.3
315.76648	0.3
348.35214	0.3
360.53882	0.3
369.19254	1.9
387.20453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25612	0.2
59.01378	0.6
59.31885	0.1
63.13821	0.2
70.85509	0.5
78.71859	0.2
89.02478	0.2
99.00886	0.5
99.92588	4.8
100.93370	3.9
101.93433	0.2
107.53400	0.2
111.76505	0.2
113.92628	0.3
115.92090	100.0
116.92097	5.4
116.92879	6.1
117.92765	0.2
132.92374	1.0
145.02977	0.5
155.95276	0.2
172.95468	4.7
173.95668	0.3
196.48961	0.2
229.12929	0.2
244.53548	0.2
255.23296	0.9
355.15875	0.6
371.15692	0.4
381.17383	1.0
428.38736	0.3
429.19556	4.4
429.29895	0.8
429.35104	0.9
430.19736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06253	0.5
52.98788	0.5
58.00597	0.9
59.01383	100.0
60.01729	1.1
60.32832	0.5
69.60233	3.6
71.01387	18.8
72.99319	1.0
78.39146	0.5
79.43935	0.6
80.49374	0.5
83.73872	0.6
84.85270	0.7
85.02963	3.0
87.00884	0.8
87.12617	0.7
89.02454	29.0
90.42955	0.5
95.01402	0.8
101.02447	8.9
103.22462	0.5
113.02466	8.7
119.03503	10.7
131.03543	1.2
134.54237	0.6
136.76196	0.6
143.03511	1.8
146.45082	0.6
149.04573	1.5
161.04558	1.8
161.13374	5.7
162.13794	0.6
179.05655	5.3
205.12346	4.1
249.11452	1.4
267.12534	0.7
275.58691	0.6
429.17609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26307	2.5
51.88018	2.1
55.01872	3.6
56.88025	1.9
57.03455	4.2
59.01385	40.2
71.01385	49.0
71.55463	2.9
72.99311	2.2
73.02953	18.0
78.95912	21.5
83.01398	6.2
85.02946	19.1
87.00876	21.1
89.02454	15.3
96.96027	14.9
96.96964	29.3
98.95646	3.2
99.00878	5.6
99.92621	2.9
101.02450	42.8
113.02471	16.7
115.00417	2.5
116.92811	2.5
122.03745	6.5
125.02486	3.3
129.01868	2.4
135.04544	5.9
147.03011	6.2
149.04582	2.6
159.02995	5.3
161.04579	30.9
184.00076	2.3
237.09805	100.0
238.10043	5.2
246.48277	2.5
276.83856	5.4
294.85016	2.5
309.11880	12.6
331.09451	4.4
369.14026	83.5
370.14182	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.5
59.01385	96.7
60.43410	1.6
61.98842	2.1
71.01392	52.8
73.50604	1.6
83.05045	4.5
85.02970	8.5
87.00887	3.2
89.02456	69.9
91.17176	1.9
94.66158	1.8
95.01392	3.1
101.02460	24.1
113.02479	17.9
119.03497	23.1
124.36514	1.7
131.03506	2.9
143.03462	4.2
154.93076	1.7
161.04536	4.8
161.13380	100.0
162.13734	7.2
173.97092	1.8
179.05620	8.7
184.08916	1.7
195.49562	1.5
205.12357	78.9
206.12679	4.2
223.13342	9.9
229.69751	2.1
249.11316	22.0
254.80840	1.8
267.12430	6.5
333.92792	1.6
429.17508	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
56.26571	0.3
57.03454	0.8
58.00601	3.2
59.01385	100.0
60.01722	1.1
60.12178	0.3
67.46536	0.3
69.03467	1.7
69.44379	2.1
69.44720	0.3
71.01388	29.5
72.01742	0.5
72.99316	3.7
73.02953	29.2
74.03314	0.4
75.00877	0.8
81.03481	0.5
83.01383	1.8
83.05029	0.4
84.05395	0.3
85.02959	11.5
86.00105	1.3
87.00887	9.9
87.04518	3.4
89.02452	27.5
95.01421	0.5
97.02921	1.5
99.00897	0.5
99.04512	1.2
101.02451	40.6
102.02844	0.7
102.06850	0.3
103.04021	19.5
109.02960	0.6
113.02473	4.9
115.04024	5.9
119.02660	0.7
119.03516	11.4
125.02461	2.7
127.04025	1.6
131.03514	9.1
132.03871	0.4
134.03754	0.4
135.04536	13.5
136.04878	0.4
138.06813	0.3
141.61107	0.3
143.02432	0.6
143.03511	10.8
145.05093	5.8
146.05360	0.3
153.09215	1.1
161.04544	1.5
161.13365	1.1
163.06136	34.4
164.06451	0.9
179.05562	1.4
197.42365	0.4
205.07182	21.8
205.12320	1.2
206.07509	0.7
207.13823	0.5
225.15016	2.7
257.41989	0.3
265.09277	1.1
341.18060	0.3
369.18942	0.9
383.02234	0.3
387.19968	0.9
393.17596	0.4
429.17316	1.3
454.90604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54018	0.3
57.03456	0.6
59.01385	5.9
61.98823	0.3
67.34884	0.3
70.30714	0.6
70.31098	0.7
71.01388	5.1
71.05020	1.0
73.02950	2.6
78.91888	0.7
85.02959	1.8
87.00893	0.6
89.02456	8.3
93.03500	0.4
95.01412	0.4
97.02974	0.3
99.00913	1.1
99.04531	0.5
101.02456	3.3
107.05043	2.7
108.02189	0.8
109.02964	1.1
113.02470	1.8
117.05585	9.4
118.05906	0.3
119.03478	0.4
119.04987	0.3
121.02886	0.5
122.03743	4.1
123.04550	4.2
125.02426	1.0
131.03494	0.7
133.05124	0.8
134.03735	2.2
135.04538	100.0
136.04869	4.0
137.02461	0.6
149.06104	0.4
151.03992	3.7
158.44348	0.4
159.03069	0.7
161.04568	2.9
173.04536	0.3
179.05586	0.5
191.05598	1.0
233.06731	0.9
236.97235	0.3
267.08862	0.8
293.08841	2.2
313.09265	0.4
393.14145	0.3
424.48148	0.3
429.13641	7.9
429.22400	0.4
430.14188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80884	1.3
55.01857	2.5
57.03440	3.3
58.00579	1.4
58.70825	1.2
59.01384	100.0
61.98850	1.3
65.02088	1.2
67.26450	1.3
69.03451	1.6
69.60895	6.1
69.61298	3.1
70.04880	1.6
71.01385	52.1
72.99302	4.8
73.02953	13.3
78.95896	9.4
81.03455	2.5
81.79410	1.4
83.01392	6.7
83.05074	1.3
85.02958	18.3
87.00867	4.1
89.02449	45.5
93.03491	6.6
95.01400	3.7
96.96964	16.1
98.20539	2.6
99.00903	3.5
101.02451	39.7
103.04025	2.3
107.05080	1.7
108.02170	6.2
109.02946	6.6
113.02466	17.8
119.03515	18.9
119.04944	2.0
121.02953	2.8
123.04549	3.5
125.02461	2.0
131.03535	2.4
135.04536	54.6
136.04869	2.4
137.02446	12.5
137.06102	9.0
143.03456	3.1
149.04520	4.7
155.27913	1.3
161.04558	16.4
161.13351	17.8
163.06123	1.5
163.11284	3.4
173.04535	1.5
175.11266	9.8
176.92407	1.2
179.01677	2.5
179.05641	8.5
179.79117	1.4
181.05084	27.9
190.25386	1.5
191.05621	4.2
205.12321	14.1
206.12749	1.7
223.13429	1.9
231.13892	2.0
249.11295	3.9
281.06787	7.0
283.11929	9.4
284.12360	2.2
296.08163	1.6
299.18103	1.5
325.09161	1.8
387.20224	3.3
391.10382	21.5
392.10577	1.9
393.11050	2.0
393.17685	7.9
429.08569	2.7
429.18140	17.8
430.17752	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.59503	10.8
71.05424	1.7
96.96040	2.5
97.06602	3.4
111.08198	2.0
116.92920	1.8
159.10237	1.9
171.10216	2.9
275.20227	4.1
293.21274	5.4
313.23712	2.2
323.23795	2.3
346.78754	1.9
427.27136	10.1
427.32153	6.4
451.62061	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	427.3215
Annotation	5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol
Peak:m/z	Relative Intensity
59.01376	1.1
64.04710	0.4
79.10468	0.4
81.64128	0.4
90.51518	0.4
93.00397	0.5
103.80268	0.4
121.00901	0.5
128.71104	0.4
129.09235	0.9
143.10794	1.2
157.12419	0.6
181.28877	0.4
191.76263	0.4
229.36702	0.5
269.21283	0.9
283.22748	1.1
365.28430	1.5
366.28293	0.6
409.33051	1.6
427.32166	100.0
428.32544	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	427.3221
Annotation	5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol
Peak:m/z	Relative Intensity
58.49004	0.5
59.01370	2.2
60.58995	0.5
62.99622	0.5
69.32071	1.8
69.32493	2.9
73.02922	0.9
87.00885	0.8
89.02429	0.6
128.13176	0.6
224.89357	0.5
227.80334	0.5
242.31754	0.6
353.30606	1.2
367.32150	1.2
383.35269	1.8
427.32126	100.0
428.32520	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1406
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
57.03465	0.2
58.10666	0.2
59.01381	2.9
61.98841	1.0
64.88022	0.2
69.03481	0.3
69.27937	0.4
69.28344	1.1
71.01385	1.9
73.02952	0.3
78.95918	0.5
83.01425	0.2
84.06098	0.2
85.02966	0.6
87.00886	0.3
89.02457	1.8
93.03471	0.2
96.96967	0.2
97.02988	0.2
99.00915	0.4
101.02485	0.7
102.05221	0.2
107.05041	0.6
108.02225	0.3
109.02981	0.4
110.75368	0.2
113.02431	0.3
117.03433	0.2
117.05537	0.2
122.03746	0.8
123.04528	0.8
125.02454	0.9
131.03508	0.3
133.02995	0.2
134.03758	2.3
135.04539	100.0
136.04863	3.2
137.02473	0.3
149.04593	0.4
149.06067	0.5
152.01231	0.3
161.02425	0.6
161.04480	0.2
163.07707	0.2
170.33009	0.2
178.02710	0.3
191.05630	0.7
193.05089	0.8
207.10214	0.2
225.07553	0.3
233.06613	1.0
267.08441	0.2
281.13898	0.2
293.08777	2.7
315.07172	0.3
334.08957	0.2
378.86975	0.2
429.13882	8.5
430.14294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50383	1.1
53.50664	1.0
57.03465	2.4
58.00602	1.5
59.01385	100.0
60.01731	1.6
61.98832	2.1
64.67883	1.2
69.56091	6.2
71.01392	19.2
72.07043	1.0
73.02950	8.4
75.00871	1.8
83.01404	1.5
83.04991	1.2
85.02963	8.4
87.00874	2.1
89.02457	10.0
89.10537	1.1
93.03441	2.2
93.23161	1.1
95.01412	1.7
95.05056	1.4
96.96012	1.1
97.02945	1.2
99.00887	2.2
101.02460	10.7
103.42146	1.1
105.54233	1.0
109.02967	2.5
111.04498	1.6
113.02461	8.4
119.03521	2.8
133.02965	1.9
135.04509	4.6
136.95673	1.1
137.06061	1.3
138.06857	3.7
149.02437	4.7
151.07652	3.6
152.08446	11.7
153.01918	1.7
153.09233	20.1
159.11882	1.5
161.02419	4.2
161.04559	4.0
163.11392	1.1
164.04791	6.0
165.09169	1.4
171.35562	1.2
173.04555	3.6
179.03455	2.7
179.05658	1.3
179.07152	3.8
187.11217	1.3
190.00691	1.2
191.05635	9.5
203.10785	3.1
205.12308	12.9
208.03850	2.0
223.06084	6.5
223.13426	2.3
232.18263	1.1
247.09796	2.3
275.51486	1.0
367.17755	10.2
368.17938	1.5
385.18494	1.7
427.20102	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03458	2.2
59.01385	34.5
61.98836	5.4
69.34898	14.7
71.01394	34.2
73.02944	12.8
83.01400	7.1
85.02946	16.5
87.00898	3.0
89.02421	4.1
95.01443	2.1
97.02989	1.9
98.19843	3.5
99.00891	5.8
101.02451	35.1
113.02460	14.6
116.00742	2.0
141.50661	1.9
149.02507	2.7
159.02977	3.9
161.04605	16.4
177.01959	2.6
180.72983	1.7
191.05614	2.1
195.54317	2.0
221.08174	1.9
222.34695	1.6
235.11882	100.0
236.12225	4.0
281.15186	2.2
367.16068	57.3
368.16589	4.1
423.89151	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	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26455	1.5
55.01886	2.4
57.03442	1.7
59.01382	71.8
61.98832	3.9
67.89918	1.8
71.01387	33.0
71.10149	3.3
72.12663	1.8
73.02953	16.9
78.95918	2.2
80.50618	1.8
82.89581	1.7
83.01402	12.6
85.02946	19.7
89.02461	4.9
99.00891	6.4
101.02446	38.1
108.02198	2.3
113.02459	15.8
121.07928	1.9
123.04528	2.8
125.02474	2.6
135.04532	4.3
143.03517	2.0
148.05325	2.5
159.03032	2.3
161.04568	11.2
161.75769	1.8
175.03918	2.9
188.04758	6.1
191.05716	2.0
203.07144	5.3
206.05775	4.0
221.08182	14.0
221.10268	86.8
222.10649	5.1
224.94444	1.8
257.16879	2.3
264.98410	2.3
280.91986	1.9
367.16080	100.0
368.16333	8.1
450.40125	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	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41618	2.0
55.01886	2.2
57.03462	1.8
58.00609	2.2
59.01383	31.0
59.12812	1.6
61.56665	1.8
61.98838	2.4
69.45930	5.5
69.46359	5.9
71.01383	33.5
73.02952	14.4
75.00878	2.0
83.01394	11.7
85.02954	18.2
86.00077	1.5
87.00902	3.0
88.18888	1.7
89.02459	6.5
95.01387	2.0
98.19975	3.1
99.00897	5.2
101.02457	36.5
113.02480	14.2
135.04564	4.4
148.05362	5.3
159.03044	4.7
161.04561	12.3
163.03996	2.5
163.07695	5.8
165.53514	1.6
175.04037	4.2
177.01935	1.9
188.04854	5.1
206.05864	2.1
209.02794	3.9
221.08173	4.7
235.11884	100.0
236.12268	4.9
247.06119	2.9
259.28616	1.9
303.07303	3.8
326.36191	1.8
367.16068	52.5
368.16293	5.6
383.13324	3.6
396.46655	1.7
427.07379	1.9
427.12497	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	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61598	0.6
59.01384	100.0
60.01714	0.6
61.98845	2.1
69.22274	2.6
69.22702	4.0
71.01386	2.2
75.00907	0.6
76.36902	0.6
85.02980	0.9
93.03470	0.8
101.02467	1.0
113.02507	0.9
134.01373	0.5
135.04482	0.6
142.43495	0.6
148.05333	7.7
154.14923	0.6
155.03493	0.7
155.29158	0.6
163.07669	7.7
167.41650	0.6
173.04575	1.7
188.77466	0.7
191.05695	0.7
264.34967	0.7
292.79370	0.6
334.43805	0.7
428.21130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	65.5
58.00591	2.8
58.03801	1.2
59.01385	100.0
60.01680	1.4
62.25374	1.1
63.42170	1.3
69.39666	2.5
69.40080	8.2
70.70118	1.0
71.01386	33.2
71.86766	1.1
72.99310	3.5
73.02956	13.2
79.05545	1.5
83.01397	5.3
85.02957	8.6
89.02455	37.2
93.03420	1.8
93.58167	1.1
95.01415	3.0
97.02966	2.1
99.04529	47.5
99.77959	1.2
100.04830	1.5
101.02456	36.8
111.04546	1.7
113.02467	16.1
119.03513	13.6
123.04522	6.7
125.02463	15.2
131.03505	2.5
133.88432	1.1
135.04530	1.4
141.05591	1.8
143.03452	2.5
149.04605	1.6
153.05560	1.4
153.09210	2.2
159.11787	10.0
161.04590	5.8
173.04501	1.9
179.03506	1.4
179.05598	3.7
181.12344	1.6
181.97556	1.1
191.05643	2.3
203.10796	19.3
204.11053	1.9
205.12367	1.6
247.09799	11.4
427.15820	16.8
428.16116	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63115	7.5
59.01383	100.0
61.98825	21.4
68.12257	7.1
69.64963	52.2
71.01379	45.4
72.99307	8.0
73.02972	12.8
81.17249	8.4
83.01406	7.8
85.02958	20.2
85.67368	7.9
87.00857	17.3
89.02446	22.2
92.86466	7.0
93.03459	29.1
101.02467	38.2
108.02177	9.9
109.02953	8.3
113.02448	20.1
115.92078	16.5
123.04531	11.8
133.02968	13.5
135.04512	16.8
146.03702	11.8
153.09193	9.7
159.92787	7.8
161.02438	8.2
164.04840	18.7
165.05566	14.1
173.04546	22.3
177.01904	14.0
179.03534	14.2
179.07173	9.2
187.90904	7.8
191.05611	55.8
205.12378	12.5
253.14511	8.2
353.94336	8.6
427.01566	9.1
427.17157	29.3
445.54114	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	427.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
68.99794	0.7
69.62836	3.2
71.01386	10.6
73.02956	2.4
78.95917	14.2
79.95729	1.1
85.02951	4.5
85.29890	0.7
87.00874	0.8
87.47475	0.6
89.02492	1.1
96.96020	41.8
96.96973	22.5
99.00893	0.9
99.04529	1.8
101.02449	6.8
107.05029	0.7
108.02203	1.0
109.02962	1.8
113.02454	4.2
121.02988	2.3
122.03754	100.0
123.04624	13.0
124.04842	1.1
135.04523	1.6
137.02461	2.1
137.06099	2.1
143.03484	1.2
147.02975	1.0
147.04552	1.8
159.02988	1.9
161.04582	15.5
162.03258	0.6
165.05562	5.9
165.06749	1.0
165.73930	0.7
177.05577	2.4
285.09796	4.2
329.08792	46.5
330.09274	3.7
332.44501	0.8
427.14651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06447	1.4
54.58300	1.3
55.01881	2.2
59.01382	37.2
61.98553	1.6
61.98837	19.9
67.91374	1.6
69.03451	1.4
69.72051	3.3
69.72466	5.6
71.01389	41.4
72.99307	4.4
73.02956	3.6
75.00482	2.2
75.00883	35.1
81.03435	1.7
82.60396	1.5
83.01394	30.7
85.02962	9.5
85.46989	1.4
86.00125	2.0
87.00877	23.8
88.00399	5.1
89.02447	15.2
93.03446	1.4
95.01381	4.2
97.02935	3.7
99.00868	3.2
101.02446	18.5
108.02163	10.9
109.02936	3.7
111.00859	4.1
113.02467	8.6
119.03515	6.1
119.04993	6.3
122.03749	2.6
123.04528	7.5
129.01955	21.8
130.42702	1.4
131.46519	1.7
132.02177	2.7
133.02956	2.3
134.03740	9.7
135.04497	6.0
137.02477	2.0
141.01923	5.4
145.02943	2.0
147.04518	4.5
148.05313	71.1
149.02429	5.8
149.06166	10.5
150.03235	2.6
159.04498	8.4
160.01678	23.7
160.05305	7.7
161.02344	5.9
161.04572	1.5
162.03197	2.9
163.04008	18.3
163.07654	73.7
164.04771	7.5
164.07988	3.2
171.04564	2.3
173.02496	4.2
173.04604	2.5
174.03156	3.4
175.04013	40.2
175.07574	2.3
176.04694	5.5
177.05516	4.8
178.06317	22.1
179.07080	4.5
187.04047	9.1
188.04800	53.9
189.05423	4.9
190.02780	3.2
190.06131	1.8
191.03522	1.8
191.05559	4.9
191.07161	5.1
193.05008	3.1
193.08720	3.9
203.03493	2.1
203.07166	15.4
204.04237	6.6
205.05034	9.8
206.05865	19.6
207.06456	2.4
209.02774	4.3
219.05060	6.5
221.08191	67.2
221.10362	3.6
222.08534	5.0
223.06139	3.3
223.09711	2.2
232.03751	7.8
235.06084	2.7
235.11954	3.6
245.66542	1.7
247.06134	36.2
247.35025	1.7
248.63603	1.8
264.06439	3.8
265.07147	12.4
267.08707	3.1
303.07272	45.1
304.07584	2.6
337.09174	6.0
381.17636	4.0
382.18423	1.5
383.13470	38.3
384.13861	3.5
427.07239	5.0
427.12396	100.0
428.12485	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	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
61.98837	3.0
66.68748	0.5
67.73557	0.5
69.03449	0.8
69.83509	1.4
69.83926	1.5
71.01389	6.9
73.02950	2.9
78.95911	1.0
83.01411	0.7
85.02946	3.5
87.00877	0.6
89.02451	3.1
90.88363	0.5
96.96017	0.8
96.97009	0.7
97.02982	1.3
98.20692	0.7
99.00898	1.3
101.02448	5.9
103.48949	0.5
108.02187	11.7
113.02443	2.3
114.02822	0.6
117.38613	0.5
123.04536	12.7
124.01717	0.7
131.05066	1.5
133.03008	0.7
134.03746	2.5
135.04527	0.9
145.02963	9.5
148.05324	10.9
149.06097	12.9
150.03157	0.9
150.46866	0.5
159.03110	0.8
159.04555	2.1
160.05336	3.7
161.02466	0.7
161.04570	2.2
161.05989	0.9
162.06819	2.7
163.04033	1.1
163.07648	8.9
164.04886	0.6
165.05594	1.5
173.02509	3.9
175.04008	2.6
176.04767	0.6
177.05626	1.6
178.06377	0.7
179.03577	0.8
179.07181	0.9
187.04012	2.3
188.04802	45.0
189.05359	2.6
191.03560	0.8
191.05656	0.9
191.07228	0.7
203.07164	36.8
204.07529	1.9
206.05869	30.3
207.06262	1.7
221.08237	100.0
221.10307	12.1
222.08586	5.5
222.10588	0.8
251.11337	1.3
264.98013	0.6
265.07269	1.1
367.16116	13.1
368.16666	1.6
383.13623	1.5
427.12360	1.0
427.18234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19625	0.4
57.03450	1.0
59.01377	0.7
68.63568	0.5
69.61158	3.0
71.01389	1.7
72.99308	0.7
79.95737	0.5
80.65842	0.5
83.05041	0.6
87.54747	0.4
96.96035	5.7
98.20593	0.8
102.69319	0.4
113.02473	0.8
113.06111	0.8
115.00378	3.0
127.11337	0.6
136.69913	0.4
139.04059	0.8
139.11369	0.5
141.12874	5.0
152.45229	0.5
153.12859	0.7
155.14427	1.4
225.22240	1.1
237.22250	7.6
238.22531	0.7
253.21832	3.2
253.25346	0.4
265.21790	0.6
267.26947	0.6
269.21222	1.5
283.22876	2.8
297.24426	1.2
361.34824	4.5
363.32806	0.6
377.34402	1.2
379.35977	2.0
380.44781	0.5
381.29919	1.1
381.34085	1.0
389.34299	0.9
407.35416	1.7
425.25998	6.4
425.36465	100.0
426.27478	0.7
426.31613	0.9
426.36844	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	425.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62956	0.9
59.01368	1.7
71.26352	1.5
72.90949	0.8
83.05087	0.7
85.73835	0.7
99.08140	0.8
103.10226	0.7
113.09724	1.4
127.11227	0.8
132.31926	0.8
141.12901	0.9
149.06085	1.2
159.80841	0.7
172.81857	0.9
228.04874	0.7
237.22200	1.0
239.24144	0.7
241.18118	1.0
244.09081	0.8
250.29745	0.7
255.19725	1.0
267.23203	1.1
269.20978	0.9
283.22800	2.3
307.26318	1.9
311.25934	0.7
363.32700	3.3
381.33823	12.3
382.34232	0.9
389.30508	4.8
389.34863	0.8
405.33792	1.0
407.30740	7.3
407.35437	5.3
408.31485	0.8
408.36133	1.2
423.34964	1.4
423.74911	0.7
425.36945	100.0
426.31754	1.0
426.37280	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	427.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.0
61.98840	3.8
71.01385	3.5
75.00876	0.9
78.95912	59.2
85.02979	0.9
89.02449	1.9
94.41218	0.8
96.96088	5.1
96.96971	100.0
97.02961	1.0
99.00896	0.8
101.02455	1.8
108.02168	3.7
113.02439	1.3
114.12565	0.7
116.94841	0.7
119.04958	0.8
123.04527	2.5
135.04556	2.2
148.05269	0.8
149.06056	1.0
152.01154	3.4
158.70897	0.7
160.93280	1.1
161.04576	0.8
167.03513	8.8
173.04585	1.3
178.94304	1.9
179.03529	2.0
188.04834	1.7
191.05606	4.4
203.07101	1.5
205.04976	0.8
216.99059	1.0
221.08176	4.0
264.98071	2.4
309.57944	0.8
336.16855	0.8
391.04337	2.6
427.01456	3.5
427.18503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	14.8
59.01377	5.8
69.03447	3.2
70.49078	2.8
70.49483	2.7
70.97535	1.5
71.01375	2.1
71.05013	1.6
72.02171	3.3
73.02950	1.5
81.05605	1.5
83.05038	2.7
85.02960	13.0
85.06605	4.6
87.00913	1.6
87.04546	3.3
93.03470	1.7
95.05038	73.8
96.05342	2.1
96.08129	1.3
96.96014	1.4
99.00243	1.6
99.00889	4.1
110.05816	1.6
113.06100	69.1
117.55601	1.5
133.29271	1.5
139.04021	2.7
141.12839	2.0
147.64235	1.4
172.79932	1.5
195.17583	7.8
250.19334	4.7
251.20164	4.2
267.26978	12.3
269.21179	6.4
277.18094	2.2
283.22845	2.1
297.24496	2.8
302.73639	1.4
318.30124	1.6
363.32764	4.5
381.33759	97.7
382.34055	11.0
405.33670	1.8
425.32050	100.0
425.37067	21.5
426.32437	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
68.94955	0.9
71.01385	7.2
71.54749	1.1
76.88760	1.0
79.95740	10.8
95.95232	2.1
96.96014	74.8
99.92594	1.5
115.00381	22.1
122.97572	4.0
260.65070	1.1
267.26868	1.8
347.79257	1.1
381.29962	5.6
425.25778	100.0
425.36276	7.3
426.25995	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	425.3063
Annotation	Dankasterone B
Peak:m/z	Relative Intensity
50.33675	0.5
55.01873	0.9
57.03438	1.6
59.01372	0.7
62.53120	0.5
63.09724	0.5
69.03477	0.6
69.64098	2.8
69.64499	1.2
70.41457	0.5
71.05008	1.9
71.29294	0.5
81.03434	0.8
83.05027	2.0
97.06593	1.1
109.06561	1.8
110.77778	0.7
111.08134	2.4
121.06618	5.4
123.08175	3.9
125.35746	0.6
126.72324	0.6
133.10201	1.3
135.08112	0.8
137.09729	1.6
139.11316	4.1
149.09647	1.2
151.11302	1.7
159.08147	1.0
173.09721	0.7
175.11287	1.1
189.12865	17.4
190.13164	1.0
191.14427	43.5
192.14723	2.4
205.12354	0.8
215.14258	0.7
215.64151	0.6
233.15558	1.5
239.14365	1.2
241.12276	2.0
245.15224	0.6
255.17561	14.6
256.14523	0.6
256.17923	1.1
257.15485	34.0
258.15805	3.0
271.17020	1.0
273.18631	26.2
274.18906	2.9
313.21729	1.0
315.81348	0.6
321.40164	0.6
321.59607	0.6
334.60614	0.6
340.38876	0.6
341.07986	0.6
341.24683	0.8
389.28586	4.8
391.26541	0.7
405.28015	1.6
407.29477	12.1
408.29855	2.1
423.28888	3.5
425.30603	100.0
426.30899	15.4
443.31760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
59.47675	1.2
61.98836	100.0
69.21102	1.2
69.46399	9.6
70.26853	1.3
75.58260	1.2
84.75169	1.2
93.03447	2.3
106.14120	1.1
111.04459	1.2
128.56543	1.3
168.06732	1.3
173.04633	7.3
173.05919	1.2
227.71465	1.2
251.16443	6.4
364.73212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1822
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
59.01375	13.2
62.59517	2.7
71.01383	12.6
71.01735	2.8
71.56159	3.4
73.02977	3.8
78.95901	3.7
83.01398	4.0
85.02950	7.1
93.03458	5.6
96.04944	3.1
97.02952	10.8
101.02447	3.0
107.05074	3.6
108.02200	4.9
108.05836	3.9
109.02966	17.4
109.06618	16.1
111.04543	8.2
113.02426	5.5
113.06093	6.9
119.05029	9.5
122.03736	9.6
123.08182	6.2
125.06106	16.4
127.07652	14.2
135.04543	3.1
136.05307	11.9
137.06058	5.3
138.06871	10.7
139.07663	32.9
149.06056	3.9
151.07663	67.9
152.04808	7.8
152.08446	30.8
153.09219	12.0
161.09726	7.3
163.04045	7.3
163.07637	11.5
167.07101	3.4
171.06659	8.2
173.04555	6.1
185.09633	4.2
191.05653	21.0
201.12856	27.3
203.10794	14.1
204.11562	34.1
205.11981	4.3
219.13885	64.6
220.14360	3.3
220.45676	3.0
243.13936	3.7
245.11810	10.7
255.08659	3.7
263.12891	100.0
264.13147	10.1
287.13025	7.1
305.13919	9.8
425.14343	21.5
426.14877	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	425.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	42.9
61.10991	10.4
61.61720	10.2
61.98845	20.7
62.44283	10.0
65.90395	9.3
70.71836	19.9
70.72168	13.9
71.01396	42.3
73.02965	16.3
84.43719	10.0
85.02975	12.6
89.02454	12.4
93.03505	22.3
95.30284	10.4
99.47598	10.9
101.02465	33.0
113.02486	20.1
117.05531	10.7
152.39827	10.1
161.04611	13.8
173.04553	12.0
173.46164	10.6
181.08690	15.5
191.05635	26.4
279.14545	11.9
307.15616	14.6
353.62347	10.6
425.19754	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	425.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.0
57.03442	4.3
58.00585	2.8
59.01386	63.4
69.03486	2.3
71.01389	100.0
71.56126	1.3
72.01721	1.9
72.73402	0.9
72.99297	4.6
73.02558	2.1
73.02950	30.7
74.82553	1.0
75.00894	2.5
76.57353	1.2
81.03464	1.6
83.01393	17.8
83.05008	1.9
85.02962	43.2
85.03471	2.5
87.00874	5.8
89.02451	37.3
93.03468	3.2
95.01389	6.2
97.02958	3.1
99.00892	12.5
101.02452	86.8
102.02814	1.3
111.00919	7.2
113.02461	37.5
115.04015	2.1
119.03510	6.7
120.55926	1.0
125.02480	6.0
131.03517	12.5
135.04555	1.2
137.02490	1.4
143.03511	7.4
149.04517	8.0
153.34250	1.0
159.03027	6.9
161.04568	32.6
173.04611	5.0
179.05583	2.6
191.05606	10.8
217.78616	1.0
233.06653	6.1
263.07761	1.0
263.14996	37.1
264.15491	2.8
283.81180	1.1
293.08777	1.1
293.16107	18.3
310.11707	1.0
365.21747	1.8
425.15097	1.7
425.20279	49.9
426.20575	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	423.2908
Annotation	CHEBI:68054
Peak:m/z	Relative Intensity
55.01862	0.9
57.03439	1.1
62.42215	0.5
63.98394	0.5
69.03455	0.8
69.38436	0.9
69.38837	3.4
71.05024	0.9
75.21701	0.5
81.03456	1.6
83.05050	0.8
95.05029	1.2
97.06618	0.7
97.36376	0.5
98.19935	1.3
102.70998	0.6
104.13171	0.5
105.07067	0.7
106.04256	0.7
107.05064	1.0
109.06596	1.7
111.08150	5.2
121.06612	5.8
123.08179	1.5
125.09722	0.8
133.06587	0.9
135.08192	3.5
137.09750	2.7
139.11282	2.4
147.08144	2.1
149.09724	8.3
151.11240	0.8
163.11334	0.8
175.11351	0.8
187.11316	0.9
189.12856	12.4
190.13205	1.1
191.14426	33.9
192.14745	2.2
203.14368	0.8
205.12309	0.9
215.14388	1.0
231.13863	1.9
239.10664	0.6
240.11420	1.5
255.13913	16.3
255.16620	0.8
256.14575	3.2
271.17041	24.3
272.17374	2.3
311.20239	1.6
320.88287	0.6
323.20471	0.6
349.21603	1.0
387.26950	1.7
405.27966	15.0
406.28256	2.8
423.29074	100.0
424.29453	16.2
424.34784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00575	0.9
57.03445	4.1
59.01380	3.9
59.68244	1.0
67.01897	34.2
69.03478	2.4
69.44247	2.4
69.44653	6.9
71.01389	3.8
73.02962	3.1
78.95921	1.5
81.03446	1.3
81.14603	1.0
83.01399	1.3
83.05030	4.1
85.02961	35.8
93.03476	1.9
95.01395	1.6
95.05024	1.1
96.53072	1.1
99.25263	1.2
111.04543	8.2
111.08171	4.7
111.70864	1.1
113.02461	100.0
114.02758	2.5
127.93866	1.2
136.05269	1.3
137.06114	1.3
152.99602	2.6
157.01456	10.5
195.28313	1.0
293.28467	1.7
307.30090	3.5
309.11877	1.2
321.31589	2.0
333.31561	3.6
335.29538	1.4
335.33145	4.3
351.32816	7.6
351.36697	1.6
352.33115	1.3
361.31100	2.8
367.10901	1.1
379.32159	24.5
379.36511	2.0
380.32507	2.3
405.33777	3.5
423.30573	9.8
423.35721	22.6
424.30713	1.7
424.35291	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	423.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30495	0.7
57.03450	4.8
58.99253	0.7
59.01384	1.6
63.01960	0.6
69.03483	0.6
71.05012	0.7
78.95908	1.2
80.20974	0.7
85.02959	1.1
99.00846	0.8
111.08188	3.2
125.09764	1.2
127.11320	2.8
149.09666	1.7
154.50371	0.8
179.14468	1.0
249.22179	1.0
251.23856	0.9
253.18024	0.8
254.88979	0.7
255.19470	0.8
255.23318	5.9
267.23416	4.8
267.26874	0.6
277.21933	0.9
293.24902	10.2
294.25351	1.4
295.22794	12.0
296.23257	0.9
309.24487	1.2
311.25989	2.5
321.06372	0.7
321.24564	1.1
339.20154	0.9
379.32193	5.3
387.28775	0.8
387.33035	0.9
405.30042	3.6
405.33981	3.1
406.34735	1.0
423.34967	100.0
424.30392	0.8
424.35349	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	423.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.41679	0.3
62.34515	0.3
69.03468	1.0
71.05027	1.7
81.03463	3.3
95.05019	1.1
97.06602	0.6
105.48908	0.4
109.06609	0.5
111.08173	3.7
121.06603	0.8
123.08163	0.7
125.09735	0.5
135.08141	1.5
137.09703	1.2
139.07739	0.4
147.08147	0.7
149.09764	1.8
161.09631	0.4
163.11227	0.9
175.11302	0.5
189.12840	4.7
190.13190	0.5
191.14435	12.4
192.14749	1.0
203.14381	0.5
215.14413	0.4
231.13922	1.9
235.13376	0.6
255.13925	0.6
269.21390	0.5
271.17075	0.5
311.20148	0.7
349.21680	0.6
361.31003	0.6
379.32092	1.7
387.26840	1.3
389.24847	0.9
405.27893	13.5
406.28104	2.3
421.27469	0.5
423.29056	100.0
423.34171	4.1
424.29431	15.6
424.34286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63727	0.5
55.01672	0.5
55.01884	6.4
57.03452	4.6
58.00595	1.6
59.01385	40.1
61.98812	0.9
69.03450	1.5
69.42755	4.1
71.01388	58.6
72.01721	0.8
72.99306	2.5
73.02953	32.3
73.58109	0.5
75.00888	1.3
81.03445	0.7
83.00916	1.1
83.01392	14.7
85.02958	30.1
86.00098	2.2
87.00890	4.2
89.02448	12.0
93.03460	0.6
95.01406	4.8
97.02967	3.4
99.00262	1.0
99.00890	13.5
99.04546	0.9
101.02452	63.0
102.02785	1.4
111.00869	1.7
113.02459	22.0
115.04023	1.9
125.02460	4.7
127.11308	1.0
129.01933	1.8
131.03532	3.1
143.03493	3.1
149.04549	1.3
155.03351	0.7
159.03014	4.3
160.18169	0.6
161.04568	22.6
162.04932	0.7
173.04532	2.2
191.05563	0.8
199.13530	0.8
233.06700	3.2
291.18155	100.0
292.18549	7.7
293.08847	0.8
335.17279	0.9
347.26395	0.7
375.68436	0.5
423.22388	83.1
424.22702	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.7
57.03453	5.6
58.00597	4.0
59.01385	88.8
59.92104	0.5
60.01720	1.2
61.98841	1.9
68.99822	0.9
69.03465	2.3
69.26427	5.0
71.01388	97.3
72.01724	1.7
72.99313	5.8
73.02951	30.5
75.00894	0.9
77.64482	0.8
81.03445	0.8
81.23419	0.6
83.01395	19.9
84.02230	0.5
85.02958	39.7
86.00124	1.8
87.00886	4.9
89.02453	47.7
90.02795	0.8
93.03364	0.6
95.01388	3.3
97.02934	3.1
99.00896	10.9
101.02452	88.7
102.02798	2.0
111.00893	8.4
113.02460	30.0
115.04022	1.3
119.03503	2.9
125.02440	6.1
127.11310	0.6
129.01936	1.7
129.12859	0.6
131.03513	32.4
132.03824	0.7
140.96043	0.5
141.01945	0.8
143.03537	4.8
149.04567	12.9
158.06796	0.6
159.02997	3.9
161.04572	20.7
162.04910	0.8
171.13947	0.6
173.04553	2.6
187.06064	0.9
191.05676	1.8
199.13429	0.8
201.58658	0.7
203.05690	0.5
205.03612	0.8
212.59872	0.6
215.05611	1.8
233.06671	7.4
236.62294	0.6
273.17145	1.2
291.18158	100.0
292.18503	7.7
293.08713	1.1
309.50211	0.6
317.59808	0.6
334.22333	0.6
335.17172	1.1
423.22375	68.2
424.22775	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.6
57.03451	5.4
58.00580	2.0
59.01384	37.6
61.98810	0.8
63.35506	0.8
64.12627	0.7
67.01884	0.7
69.03452	1.7
70.96376	1.6
71.01389	62.7
72.01690	1.0
72.99297	2.6
73.02951	33.0
73.38052	0.8
74.11577	0.7
75.00871	1.6
81.03440	1.0
83.01388	14.2
84.02170	0.8
85.02959	34.0
86.00098	1.9
87.00880	4.1
89.02450	12.2
93.03471	5.5
95.01386	4.1
96.46313	0.6
97.02949	2.4
99.00895	14.7
101.02452	65.7
102.02772	0.9
111.00863	2.6
113.02458	25.3
115.04011	1.8
119.03559	0.9
125.02450	4.9
127.11275	0.9
129.01941	1.7
131.03506	3.7
143.03529	3.5
149.04585	1.8
159.03030	4.8
161.04565	23.9
168.46339	0.7
173.04565	15.0
191.05588	2.1
199.13326	0.9
205.12367	1.1
233.06732	3.0
249.14964	0.8
291.18152	100.0
292.18500	6.6
293.08762	0.9
309.69189	0.8
311.96783	0.8
332.87292	0.7
423.22382	95.2
424.22705	11.3
424.28146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88725	0.6
54.36354	0.7
55.01884	7.2
57.03453	6.2
58.00591	3.0
59.01383	72.2
59.05717	0.6
59.47842	0.7
60.01736	1.2
61.98827	3.0
62.43039	0.7
67.79852	0.6
69.03452	2.6
70.19640	2.4
71.01386	96.0
72.01695	1.3
72.99332	4.2
73.02950	32.0
75.00900	2.6
81.03460	0.8
83.01390	18.5
85.02955	43.2
86.00105	1.8
87.00887	5.7
89.02448	41.4
93.03459	3.1
95.01396	5.0
97.02945	3.4
98.20564	1.0
99.00895	13.8
101.02449	82.7
102.02818	2.0
105.28235	0.7
109.02963	0.8
111.00865	6.2
113.02456	30.0
115.04025	2.0
117.79818	0.7
119.03502	1.8
120.63091	0.7
125.02461	6.0
127.04025	0.9
129.01941	2.3
129.12910	0.6
131.03510	24.4
131.36856	0.7
132.03859	0.9
137.02434	1.1
143.03529	5.0
148.18416	0.7
149.04567	10.6
155.03488	1.5
159.02986	4.3
161.04561	28.9
162.04912	1.1
173.04561	13.6
179.05540	0.8
187.06004	0.9
190.11656	0.7
191.05643	3.5
199.13353	1.0
215.05789	0.9
228.03159	0.7
233.06680	6.2
249.14922	3.7
261.09830	1.2
273.17004	0.9
291.18152	100.0
292.18472	7.2
293.08768	1.3
423.22382	89.8
424.22748	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.4
57.03453	3.9
58.00611	2.2
59.01384	52.7
60.01722	0.9
60.95009	0.8
61.98837	3.1
69.03467	3.1
71.01385	84.8
72.01714	0.8
72.99313	3.9
73.02952	35.9
75.00870	2.2
79.19411	0.7
83.01397	15.0
85.02959	38.4
86.00089	2.2
87.00882	4.5
89.02450	21.9
89.04006	1.2
93.03479	3.0
95.01402	6.1
97.02959	2.9
98.20654	3.1
99.00887	13.6
99.04579	1.0
101.02451	75.3
102.02785	2.1
105.03459	1.1
111.00887	3.4
111.04486	0.7
113.02460	27.8
115.03992	2.1
117.03567	0.8
117.66534	0.7
119.03577	1.0
125.02483	4.4
129.01956	2.1
131.03532	8.2
133.02979	1.5
134.03844	0.9
139.12234	0.8
141.01904	0.9
143.03484	3.6
149.04623	4.2
159.01903	0.8
159.02991	5.1
161.04567	29.9
162.04913	0.9
173.04587	10.1
174.04807	0.9
177.01944	12.8
178.02682	1.0
191.05623	2.7
205.03596	1.5
233.06752	3.6
249.14853	1.7
250.23428	0.7
258.90366	0.8
275.09323	2.2
277.16495	3.0
291.18149	100.0
292.18524	7.7
330.72708	0.9
423.22360	83.9
424.22662	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	423.1792
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
59.01382	77.8
67.01888	10.8
69.22251	100.0
71.01388	36.9
71.55389	9.2
73.02949	22.6
76.04767	9.8
78.95910	15.6
85.02955	12.1
87.00880	37.0
89.02440	31.1
93.03464	72.4
93.06831	10.8
98.20650	23.6
101.02448	44.7
111.04530	12.6
113.02476	16.0
135.04538	17.3
138.18071	10.1
152.04939	8.6
155.20569	10.4
165.04071	26.3
173.04594	52.4
187.07613	20.9
191.05634	52.7
197.16991	8.6
208.87508	8.4
219.68251	8.9
252.80663	10.6
257.41690	9.7
311.97385	8.7
387.46030	10.3
404.96527	11.3
423.12317	14.4
423.17590	86.2
423.22586	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03450	5.2
58.00598	1.5
59.01384	100.0
61.79313	0.7
61.98853	2.0
69.03444	1.1
71.01386	31.0
71.55740	0.8
71.56180	0.9
72.99321	2.7
73.02948	9.2
75.00861	1.1
78.95910	3.7
83.01385	5.3
85.02959	12.9
87.00890	1.9
89.02450	13.3
95.01413	2.6
96.95998	1.2
96.96980	5.2
97.02941	1.1
99.00890	2.3
99.04543	3.9
101.02453	27.1
103.04033	1.1
106.52699	0.7
109.03006	1.0
113.02453	12.3
116.92870	2.3
117.05595	3.1
119.03530	6.2
123.04513	1.3
125.02450	2.8
131.03535	1.3
139.78708	0.8
143.03502	2.2
147.73245	0.7
148.72107	0.8
149.04591	1.6
159.02971	1.8
159.06602	0.9
161.04568	15.1
173.04523	2.0
175.18977	0.8
176.46585	0.8
183.10231	1.6
191.05617	2.7
198.86389	0.8
201.11363	6.5
223.06038	1.5
224.64093	0.8
262.02820	0.9
277.12973	10.3
278.13229	1.0
299.05392	0.9
305.23264	0.8
363.16611	75.2
364.16934	5.3
423.18781	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33186	1.2
57.03444	4.1
58.00602	2.4
59.01385	100.0
60.01702	1.4
61.98819	5.2
64.26981	1.2
68.94888	1.3
71.01013	2.5
71.01387	39.7
71.05057	1.6
71.11548	1.7
72.99319	1.8
73.02964	6.8
75.00895	2.9
81.03479	1.4
83.01389	4.0
85.02969	12.7
87.00877	4.1
89.02457	30.4
93.03435	2.7
94.23307	1.4
95.01392	2.6
99.00893	3.0
99.04523	2.8
99.67836	1.4
101.02450	23.6
112.12821	1.5
113.02460	12.4
115.03976	1.5
117.05538	4.3
119.03474	7.6
123.04552	8.4
125.02406	1.8
129.05588	1.8
129.41757	1.2
131.03494	3.2
132.96645	1.4
135.04475	1.5
137.02428	1.5
139.11302	6.3
143.07167	2.3
149.04533	3.1
161.02466	1.7
161.04578	8.2
163.11227	1.4
165.05582	1.6
173.04568	3.8
179.05627	1.9
181.12456	1.3
183.10240	9.5
191.05612	12.4
199.13329	2.4
201.11342	1.9
225.07819	1.3
225.11320	2.5
233.06613	1.8
243.10449	1.4
243.12434	14.5
261.13156	1.9
262.10825	4.9
277.12790	1.7
291.14453	11.7
292.14987	1.6
363.16592	21.0
364.16830	2.9
405.17523	3.1
420.86984	1.5
423.18707	85.0
423.25150	2.6
424.19070	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52798	5.5
57.07957	6.8
59.01385	58.1
59.92947	4.9
60.99300	7.3
66.31616	5.1
67.01878	10.4
70.39030	5.5
71.01385	31.4
71.56864	6.1
72.99297	5.6
73.02958	11.7
73.44085	4.8
85.02940	10.7
87.00883	29.2
89.02455	22.3
93.03465	100.0
93.10431	5.1
99.00880	6.5
101.02459	21.1
105.01941	7.4
111.04488	13.6
113.02426	11.0
135.04489	8.5
135.43292	5.3
160.21274	6.2
161.04568	8.6
163.15561	5.1
165.04050	36.4
173.04553	62.0
173.16522	5.3
174.04718	6.0
181.90552	5.3
187.07632	20.3
188.17293	6.1
191.05704	44.3
231.10291	10.1
265.29929	5.8
298.04218	5.7
423.17117	63.5
424.18143	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	423.1796
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03466	7.8
59.01382	100.0
61.27425	9.0
61.98820	16.0
62.35198	7.9
62.81306	7.5
69.30814	40.8
69.31243	28.3
71.01393	75.3
73.02940	18.4
75.00874	9.5
83.01374	14.2
85.02953	21.9
89.02441	57.0
95.01437	8.8
98.19928	18.5
101.02443	33.0
113.02460	27.9
116.68367	7.6
118.98093	12.2
119.03481	18.8
119.35345	8.1
125.02510	12.4
131.03447	11.0
133.31909	7.9
149.11264	7.4
155.22362	7.3
159.78941	7.9
161.04572	18.5
175.28702	8.1
177.36359	9.4
179.05586	11.1
191.05701	11.7
199.13301	9.7
205.86809	9.1
220.43585	9.0
305.15698	9.1
326.45605	10.6
423.18192	72.9
423.26190	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	423.1781
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01385	100.0
60.08391	2.6
61.98846	2.9
64.91125	2.6
69.72811	15.4
71.01382	33.1
72.99335	6.2
73.02955	7.3
74.17080	2.8
75.96832	2.7
78.95909	3.2
83.01401	4.2
85.02945	12.6
87.00893	4.6
89.02463	19.1
96.96038	6.7
96.96987	3.8
99.00893	4.1
101.02457	17.4
113.02460	9.9
117.05592	5.0
125.02498	4.2
131.03503	4.1
149.04462	3.3
161.04602	9.0
173.04620	4.5
179.05630	2.8
191.05664	8.7
207.06709	3.7
233.06647	2.6
243.12335	2.9
275.06128	3.2
277.12781	4.1
291.14554	9.3
300.69003	2.8
313.13223	5.4
331.14026	4.4
413.50006	3.1
423.10501	7.6
423.18552	33.3
423.24536	3.1
423.26343	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53280	2.0
57.03446	6.8
59.01384	100.0
71.01389	35.3
71.10471	4.7
72.99301	3.1
73.02947	13.9
76.23153	2.3
78.95889	6.5
80.08845	2.1
80.09387	2.0
83.01390	6.6
85.02957	15.2
87.00883	2.9
89.02459	28.3
96.96956	8.1
99.00812	2.4
99.04533	7.4
101.02449	30.7
103.04009	3.4
108.02175	4.6
113.02455	14.3
116.92870	7.1
117.05537	4.6
119.03501	7.2
125.02440	7.0
131.03560	4.5
143.03491	6.4
161.04559	20.9
163.06129	5.0
165.05591	2.8
173.04469	3.7
191.05580	6.9
201.11360	7.1
262.43979	2.2
263.08038	2.3
271.08188	4.4
277.12961	13.6
327.38309	2.2
363.16586	72.9
364.17078	6.8
398.17960	2.3
423.10309	5.0
423.18539	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	423.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	11.7
59.01384	100.0
61.98834	8.6
71.01393	37.4
72.99325	3.5
73.02952	13.9
78.95923	5.2
83.01398	5.1
85.02943	16.9
87.00887	4.1
89.02457	27.0
91.92557	1.9
93.03471	4.4
96.96033	5.2
96.96954	9.9
99.00889	3.2
99.04523	11.9
99.50436	2.1
101.02450	32.1
102.02818	3.0
103.04038	2.7
113.02457	11.4
116.34614	2.0
116.92873	7.4
117.05591	8.1
119.03498	7.1
123.04539	5.1
125.02501	5.8
131.03584	3.7
133.05028	3.1
143.03517	6.8
161.04572	28.5
163.06111	4.5
173.04543	5.7
179.05684	2.8
191.05618	8.9
201.11317	4.7
223.06213	2.1
277.12891	4.7
285.19009	2.3
363.16599	56.1
364.16910	8.4
423.05136	2.1
423.10611	5.1
423.18701	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69869	0.8
59.01377	4.8
61.98836	100.0
63.61899	0.7
70.24319	1.4
70.24716	1.7
71.01398	1.2
82.10001	0.8
88.99280	0.8
89.02519	1.0
96.95976	0.9
115.19222	0.8
133.75284	0.9
166.10960	0.9
193.74409	0.8
218.91867	0.8
278.47906	0.8
315.25610	1.0
348.88928	1.0
413.68817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.35894	1.7
59.01382	13.2
61.98838	100.0
63.02611	1.4
65.15195	1.5
70.29577	4.9
70.29935	1.6
71.01387	17.5
72.01725	3.3
73.02959	8.2
74.03288	1.9
83.01405	1.7
85.02969	7.6
89.02476	3.3
90.31717	1.6
95.01368	2.0
99.00895	3.6
101.02466	11.7
105.88631	1.5
106.56550	1.4
113.02474	6.7
159.03078	1.6
161.04591	6.4
162.04843	2.6
173.04607	2.2
202.96814	1.5
209.35133	1.4
275.09125	1.5
289.16727	2.7
290.17010	8.3
422.21115	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
80.96526	1.7
88.93909	1.0
98.20760	2.0
118.88527	1.0
147.60983	1.0
160.05443	0.9
163.11311	100.0
164.11588	5.1
183.01222	1.2
227.20160	1.5
267.27039	1.6
292.88443	1.1
295.22934	2.1
309.24411	4.4
339.19986	3.5
339.23325	65.1
340.23666	8.9
379.21365	1.3
399.81726	1.0
399.87964	1.1
403.32385	7.7
404.32629	1.3
421.22079	4.2
421.33725	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77635	0.9
57.03448	3.7
59.01384	100.0
60.01719	1.5
61.52744	0.9
61.98845	3.0
67.01891	1.2
68.86977	0.9
70.10423	3.6
71.01394	3.1
75.00864	1.1
87.00907	1.6
87.04520	1.8
93.03453	5.4
96.96020	3.3
101.02455	1.3
109.02979	1.4
113.02462	1.6
121.03033	1.0
123.08122	1.1
124.01711	1.6
125.02476	2.2
134.03796	1.7
135.04536	15.8
151.04037	3.0
161.02345	1.4
171.13928	2.4
173.04550	3.1
177.84988	0.9
179.03545	4.8
187.13431	2.8
190.62143	1.0
191.05621	8.3
201.14888	1.0
203.10793	1.0
238.91508	1.0
247.09694	1.5
267.06656	1.5
282.08963	1.6
297.11346	2.1
308.09036	2.2
332.16367	1.4
341.16959	19.4
341.67087	2.1
352.07635	1.3
359.27921	1.4
361.29614	47.5
362.30045	5.0
368.55884	1.1
421.18726	2.1
421.26282	1.5
422.14508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61111	0.6
57.03452	3.0
58.89723	0.7
59.01384	100.0
60.01727	1.1
61.14257	0.7
61.98822	0.7
62.70324	0.6
65.98923	0.6
69.62844	4.2
71.01392	5.9
73.02964	1.8
85.02961	3.0
89.02467	3.0
93.03436	0.8
99.00900	1.3
101.02448	4.3
107.14457	0.7
113.02480	1.2
119.03490	1.1
135.55714	0.6
137.09720	1.3
143.10817	2.3
149.04590	1.3
150.12907	0.7
151.04034	2.1
152.04367	1.3
153.04521	0.8
161.04568	1.2
173.04572	1.8
179.03612	0.8
191.05684	2.8
203.14464	2.3
229.18115	1.3
246.76488	0.6
257.08356	0.9
259.08810	1.3
259.19290	0.7
289.16620	2.6
315.25549	1.5
361.29587	27.7
362.29947	3.0
421.15610	0.8
421.21066	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01881	6.9
57.03458	5.3
58.00602	1.6
59.01383	47.0
61.98835	5.7
67.98253	1.0
69.03458	2.3
69.29951	5.8
69.30375	2.6
71.01387	100.0
72.01736	1.3
72.99308	1.8
73.02951	41.5
74.03263	1.1
75.00888	2.5
75.45504	1.0
81.03423	1.0
83.01388	13.7
83.20547	0.9
85.02957	43.8
87.00878	5.1
89.02450	26.0
92.82434	1.1
93.59345	0.9
95.01408	7.6
97.02962	5.3
98.20602	2.4
99.00893	18.1
99.04530	1.2
101.02452	63.5
104.23663	0.9
111.00856	1.4
113.02458	37.7
115.03985	3.2
119.03523	1.4
125.02444	9.3
127.11276	2.4
129.01930	1.8
131.03540	6.0
143.03520	4.3
149.04547	2.5
159.03003	7.8
161.04579	38.2
191.05548	1.7
233.06609	6.7
289.16577	65.4
290.16916	5.8
293.08856	2.0
343.37640	1.1
421.20789	79.6
422.21051	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03459	2.4
58.00600	4.1
59.01383	100.0
60.01706	1.0
69.03454	1.2
71.01385	67.8
72.01695	0.9
72.99316	3.9
73.02949	18.7
73.03361	0.9
75.00878	1.2
81.03465	1.2
83.01385	4.9
85.02956	13.0
86.03263	0.5
87.00890	3.7
89.02450	96.6
90.02774	1.6
90.48169	0.5
95.01390	3.2
97.02961	2.3
98.19836	0.7
99.00887	14.6
99.04530	0.7
101.02450	46.1
111.00896	0.8
113.02458	20.9
114.02761	0.8
115.04012	1.8
119.03509	23.2
120.03777	0.6
125.02444	4.0
131.03513	12.0
143.03520	6.0
149.04562	32.8
150.04909	0.8
153.38287	0.5
159.03038	0.5
161.04520	6.6
179.05638	10.1
191.05629	8.2
205.39539	0.5
221.06712	0.9
233.06712	3.2
251.07657	1.4
266.03253	0.5
289.16565	4.1
293.08786	0.9
361.29630	1.2
421.20801	43.3
422.21054	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	421.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10984	0.1
57.03454	11.5
58.03788	0.2
58.92947	0.1
59.01385	0.2
59.03142	0.2
65.00344	0.1
69.88854	0.4
76.29681	0.1
81.03466	0.2
82.49924	0.1
83.01367	0.7
88.86430	0.1
93.22441	0.1
98.20564	0.1
125.02461	100.0
126.02794	2.7
167.03607	0.1
189.04013	0.1
209.19185	0.2
224.45239	0.1
251.20213	0.4
356.63205	0.1
377.27048	0.2
403.20984	0.2
421.21741	0.9
421.30618	0.4
422.22534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
61.98837	100.0
69.51041	2.8
71.01392	1.0
78.59026	0.4
85.02947	0.4
161.01074	0.4
314.10162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0757
Annotation	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose
Peak:m/z	Relative Intensity
54.50323	1.3
55.52783	1.6
59.01385	14.5
60.60337	1.4
70.06012	1.5
71.01382	17.0
71.54919	1.7
73.02933	2.5
76.19073	1.5
78.95907	100.0
85.02959	12.6
87.00877	12.9
88.91585	1.5
89.02453	10.3
93.03469	1.9
95.01321	1.7
96.96011	48.7
96.96969	65.9
96.97614	3.3
99.04500	1.6
101.02460	5.9
106.03726	1.6
107.45154	1.5
111.00891	3.8
111.02013	1.7
113.02448	17.3
119.03514	3.1
125.36395	1.8
127.38278	1.6
138.97955	2.1
144.71507	2.0
150.97981	9.8
161.04559	2.6
171.51965	1.6
173.04552	2.7
191.01979	2.2
191.05664	4.9
192.83250	1.4
241.01205	15.1
247.85544	1.6
323.09808	30.2
323.13507	24.7
323.90030	2.2
324.10245	2.6
360.09589	2.0
421.07593	38.6
421.13229	2.9
422.08417	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96202	10.7
53.67052	11.6
59.01380	100.0
61.98832	16.0
68.71087	11.7
71.01372	30.3
85.02980	15.3
86.43481	12.0
89.02450	23.2
98.19941	21.2
99.04536	12.7
101.02472	23.4
106.34972	10.7
113.02432	23.9
138.04384	10.0
150.03252	17.2
161.02483	10.7
165.05562	12.9
165.86090	10.2
175.40546	10.0
191.05588	20.5
235.06183	23.2
241.14606	17.7
299.21634	11.3
339.42465	15.1
421.11322	15.1
421.15906	31.0
421.20773	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03448	5.4
58.00609	1.9
59.01385	100.0
60.01704	1.8
61.04781	1.5
61.98838	6.7
63.31759	1.5
67.01849	1.7
71.01389	36.2
71.13683	1.6
72.99320	2.7
73.02960	3.1
74.19089	1.5
78.91878	2.6
78.95899	3.0
83.01377	2.8
85.02968	7.7
86.62428	1.5
87.00885	3.3
89.02455	44.7
89.83950	1.4
90.02876	1.6
93.03481	3.8
95.01395	2.9
96.96015	5.5
96.96976	3.6
99.04546	4.5
101.02448	21.3
108.02174	1.8
111.04520	2.5
112.98824	3.2
113.02466	15.9
113.99650	1.8
119.03512	18.0
119.05017	6.0
125.02470	2.4
131.03516	2.1
135.04520	2.4
142.93321	1.5
143.03557	2.6
149.04605	3.0
161.04559	8.8
163.04066	9.4
173.04538	3.2
177.01880	1.8
179.03510	3.0
179.05640	13.6
181.08759	2.1
191.05589	7.1
193.99147	1.9
194.05894	3.8
209.08237	6.1
223.06119	2.8
229.01712	2.3
247.02454	2.7
262.57965	1.5
277.09326	1.8
314.83685	1.6
323.07657	10.0
337.09195	1.6
342.87415	1.6
361.15149	13.7
383.09924	1.9
421.21118	4.1
422.07324	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	419.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.2
57.56993	2.7
59.01384	100.0
64.06611	3.0
67.49143	2.8
70.89101	7.5
71.01376	3.5
71.76321	2.7
73.02966	4.1
74.04155	2.7
85.02961	2.7
87.04551	3.0
117.07958	3.4
148.26036	2.8
159.15944	3.2
171.13934	17.6
218.22939	3.3
359.28055	25.3
360.28226	5.4
375.25208	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	419.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42216	0.5
51.99374	0.6
54.55389	0.6
57.03443	1.1
59.01386	100.0
60.01717	0.7
70.06003	0.6
71.95618	0.6
76.82354	0.6
83.93972	0.6
93.07114	4.7
111.08154	0.6
121.85926	0.8
227.16365	0.8
229.18100	18.1
230.18515	1.0
230.43669	0.7
265.02994	0.5
270.84668	0.6
306.74020	0.8
359.28064	9.4
408.33932	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	419.3171
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
50.38287	0.3
51.20004	0.3
59.01388	0.6
71.05011	0.6
71.54459	0.4
83.05002	0.3
96.69524	0.3
96.96021	0.5
121.02989	0.4
144.24863	0.3
164.27528	0.4
224.88268	0.3
295.24170	0.3
337.20035	0.4
355.26334	3.6
355.30164	4.2
356.26730	0.5
356.30588	0.5
357.28036	6.9
358.28342	0.7
359.29669	0.3
371.29581	9.1
372.30026	1.4
373.31100	2.3
375.28882	0.3
375.32843	2.6
380.43793	0.3
393.33832	0.9
401.30685	0.4
419.31699	100.0
420.32031	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.317
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
53.34378	0.3
57.03443	0.3
59.01386	67.2
60.01720	0.5
65.90885	0.3
69.87383	1.4
96.96017	0.7
125.02462	1.1
202.53613	0.3
291.27960	0.3
308.10266	0.4
355.30136	2.5
356.83679	0.3
357.27966	4.1
358.28003	0.4
359.29419	0.5
419.31717	100.0
420.32059	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	419.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01386	56.5
60.01706	0.6
71.54103	1.1
96.96028	1.4
121.13530	0.5
125.02450	7.5
172.67342	0.5
192.83711	0.6
273.01669	0.6
324.16101	0.6
355.30283	1.6
357.27939	4.1
358.28665	0.7
359.29242	1.1
361.27426	1.1
419.31729	100.0
420.26794	0.6
420.32056	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68570	2.7
57.03444	3.1
59.01375	10.1
61.98808	2.6
69.48688	2.3
74.86001	2.5
98.20607	5.9
111.51902	2.2
155.14372	3.0
156.82930	2.2
229.44424	2.9
237.61021	2.4
275.19839	2.6
291.19977	3.0
376.50259	2.4
384.07678	2.5
419.24008	4.1
419.32001	100.0
420.32187	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	419.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70670	0.7
57.03462	1.9
59.01385	100.0
59.26677	0.6
59.36473	0.6
60.01710	1.3
69.55259	4.1
71.01405	1.2
127.11345	0.9
137.09764	1.7
155.10828	2.4
157.12379	1.2
161.04636	0.8
173.11964	0.7
177.37488	0.6
178.28029	0.7
183.14008	0.8
185.15630	0.7
185.90175	0.6
201.15067	2.7
217.99548	0.7
229.18123	3.6
230.15205	1.1
281.73938	0.8
294.10056	0.7
315.30145	0.7
359.28055	34.4
360.28470	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49559	1.2
52.10551	0.9
53.73591	0.9
56.67785	0.9
57.03453	6.8
58.00596	1.2
58.48288	0.9
59.01387	100.0
60.01701	2.5
61.98837	2.5
67.89285	1.1
71.01393	27.5
71.05047	1.2
71.57005	1.3
72.01723	1.2
72.99316	2.9
73.02944	5.2
83.01379	2.5
85.02951	7.8
87.00880	4.0
87.04498	1.4
89.02449	30.7
90.75157	1.0
91.41126	1.1
93.03462	3.9
95.01381	2.9
97.06590	1.1
99.00899	2.1
99.04517	8.7
101.02447	19.7
107.05029	1.1
108.02172	1.4
109.03017	1.3
111.00908	1.2
113.02463	14.4
119.03519	11.9
121.03018	1.2
123.04498	1.1
125.02491	1.4
126.05439	1.0
133.02925	1.0
135.04520	1.4
137.02403	1.2
141.09232	1.0
141.88408	0.9
143.03476	3.1
147.11781	2.4
161.04544	9.1
165.12885	1.6
165.30055	1.1
166.66225	1.1
173.04552	4.0
173.08194	1.9
177.12859	2.0
179.05661	4.9
191.05624	5.2
195.13928	3.5
228.05347	3.1
239.12894	22.4
240.13240	1.4
275.11288	1.9
281.09338	1.4
282.55701	1.2
299.10394	4.7
302.83102	1.1
359.11966	1.3
359.12640	1.5
359.17044	10.1
375.20242	4.6
401.17838	2.1
404.15076	1.2
415.01581	1.1
419.19220	29.7
420.19522	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	419.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51455	0.8
56.67419	0.7
59.01381	2.3
69.40006	2.5
69.40424	4.8
71.22449	0.8
75.00886	1.1
87.00865	1.0
92.05063	3.9
93.03472	1.8
95.55746	0.9
105.53427	1.0
120.04562	6.1
122.06165	6.1
132.04567	2.0
133.01741	1.0
145.17792	0.9
146.02473	1.0
147.02182	1.1
147.03290	13.9
148.04074	13.2
150.05592	3.0
156.08174	1.2
160.03937	0.9
161.01227	1.2
162.05563	1.1
164.03514	1.9
172.11371	2.2
173.04570	1.4
175.02730	6.0
176.03537	13.5
179.05849	3.8
181.07748	1.7
184.06450	2.1
187.05186	0.9
187.08800	1.6
191.05586	3.2
192.03018	1.0
197.07185	1.9
198.05620	1.2
199.05086	1.8
199.08751	5.4
200.07256	1.0
206.04556	4.4
207.05315	2.4
208.06032	1.3
210.07817	1.8
211.08795	1.8
212.10841	2.6
213.06662	1.5
213.10300	1.5
214.07455	1.3
215.08287	2.0
215.11926	14.4
219.01714	1.4
220.02574	1.2
225.06693	3.9
225.10402	4.5
226.07449	2.3
226.10756	0.9
227.04620	3.5
227.08240	4.1
227.11896	1.6
228.05450	1.5
228.10234	1.4
229.59875	1.1
237.06712	2.3
237.10307	1.9
238.07512	3.8
239.08159	2.7
240.09016	5.6
241.09840	9.5
242.06680	1.0
243.07808	6.0
243.11371	3.3
251.04413	1.3
253.09886	5.6
255.07748	2.8
255.11342	6.2
256.09708	2.7
259.10873	1.1
265.06210	2.6
266.06998	10.2
267.07523	1.6
269.05685	6.3
269.09308	2.5
271.07281	2.5
271.10886	6.9
281.09314	18.6
282.09677	1.5
283.07327	1.1
284.07999	2.6
297.08966	2.5
299.10394	17.5
300.10678	1.4
303.10120	1.2
307.07217	2.1
313.12057	5.4
315.10089	1.1
325.08344	4.5
329.15021	1.0
331.12863	5.0
343.09332	6.3
357.10864	5.3
359.09149	1.2
369.07321	4.5
375.12021	9.0
376.12357	1.1
387.08459	4.4
388.98083	1.0
401.09973	3.8
402.09586	1.0
419.10980	100.0
419.26056	1.6
420.11298	14.5
443.52017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.11
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
53.33552	0.8
59.01369	5.4
69.79932	3.3
71.01402	1.8
71.05015	0.7
75.00868	1.4
85.02944	1.2
92.05061	1.6
101.02450	1.7
120.04533	3.2
121.05032	0.7
122.06114	3.1
132.04573	1.1
133.01672	1.3
136.04057	0.9
136.69949	0.8
137.09700	1.0
147.03291	9.4
147.04376	1.4
148.04070	7.0
150.05621	2.2
159.84134	0.7
163.11340	1.1
164.03517	0.8
166.00041	0.7
172.07661	0.8
172.11191	0.9
175.02715	5.1
176.03500	9.4
177.03943	0.9
179.05832	1.5
181.07744	0.8
184.06383	1.7
187.05113	1.2
187.08745	1.5
197.07054	1.0
198.07898	1.0
199.08757	4.2
203.10818	3.2
206.04591	3.5
207.05309	2.4
210.07838	1.3
211.08662	1.6
211.90724	0.7
212.10799	1.1
213.04323	1.1
213.06462	0.8
214.07393	0.9
215.08310	1.6
215.11905	11.5
216.12259	1.5
225.06723	2.5
225.10362	2.7
226.07416	2.5
227.04633	3.8
227.08087	3.4
227.11925	2.1
231.16795	0.8
237.06627	1.4
237.10371	1.2
238.07489	2.8
239.08121	1.4
240.08987	5.7
241.07507	1.2
241.09850	6.0
242.07005	1.6
243.07712	6.5
243.11359	2.1
251.04536	1.1
253.09808	3.8
255.07855	1.6
255.11430	6.2
256.09784	1.4
259.10986	0.9
264.76871	0.7
265.06168	1.2
266.06958	5.8
267.07599	1.5
268.05151	0.7
269.05630	4.4
269.09238	2.0
271.07581	1.5
271.10889	7.0
281.09344	13.4
282.09790	1.3
283.07288	1.5
284.08011	1.8
297.08810	1.1
299.10406	10.4
313.11984	3.3
315.09808	1.0
325.08282	2.5
331.13074	2.5
339.10153	0.8
343.09460	2.4
343.27072	0.8
344.09491	0.9
357.10880	3.1
359.08640	0.8
365.16196	1.3
369.07382	1.5
375.11850	6.1
383.17188	8.0
387.08371	2.4
401.10052	1.4
419.10974	100.0
420.11441	10.1
420.20691	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	418.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92447	1.2
59.01394	1.7
61.98835	100.0
78.95913	1.6
83.89043	1.3
93.54028	1.2
96.96019	2.4
98.20677	3.4
100.61743	1.2
142.08807	1.2
158.05348	1.2
217.74081	1.2
228.05444	1.2
255.53059	1.1
418.30566	8.9
419.32370	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	419.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25393	1.9
54.46385	2.2
59.01384	12.7
69.67091	13.0
71.01393	7.2
72.99312	5.1
79.63419	2.0
85.02932	2.3
87.00887	4.0
89.02431	3.0
89.03818	1.9
99.00883	3.7
101.02449	3.0
112.98809	36.1
113.02387	1.9
113.99609	19.8
125.30210	1.8
136.07718	2.9
141.99098	6.2
151.03972	2.9
161.02478	13.9
163.59500	1.9
172.00215	10.5
176.04819	12.6
177.01857	2.0
179.03543	18.4
191.07146	5.9
194.05859	38.3
195.06264	2.9
209.08211	79.0
210.08583	3.8
232.03760	2.9
233.69061	2.4
239.44080	1.9
279.08743	11.0
281.06705	3.0
323.07730	100.0
324.08026	8.2
325.05530	3.6
339.10919	9.0
353.08560	5.2
383.09903	28.0
384.10046	2.8
440.56406	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	419.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52937	1.6
51.84469	1.3
55.18591	1.7
57.03437	1.6
58.73389	1.3
59.01382	13.1
61.98825	1.9
71.01386	5.9
71.05025	1.8
71.14129	1.5
73.02963	3.2
75.00907	1.5
80.05051	5.0
85.02949	2.9
87.00890	3.0
89.02444	5.4
90.28460	1.8
93.03453	2.5
101.02432	5.3
104.05083	15.5
113.02460	3.3
119.03635	1.5
122.06145	9.4
123.00903	3.8
124.07674	6.1
130.02974	3.5
132.04555	4.1
135.04564	2.3
138.05621	2.5
138.58954	1.6
146.06099	3.3
148.04059	28.1
148.07678	2.6
150.05620	100.0
151.05930	4.0
160.04089	3.4
161.04562	2.3
162.05585	3.3
173.04507	2.3
174.01936	11.7
176.03525	3.1
182.06032	2.1
191.05597	6.7
192.03020	4.3
197.07181	3.2
198.05591	5.6
198.07892	2.9
199.08731	4.1
201.06857	2.3
206.04556	1.8
210.09166	2.7
211.72937	1.3
212.10873	15.5
213.10297	21.7
213.59206	1.7
215.12802	1.9
225.06709	9.2
226.05209	3.0
226.07416	16.1
227.05719	2.6
227.11807	2.8
228.05391	12.8
228.10292	3.6
229.09918	2.1
231.11317	4.3
237.10223	3.0
238.07263	1.7
238.08833	2.5
239.08275	5.1
240.06761	2.5
240.09052	17.8
242.06993	15.3
243.07652	8.2
249.99095	1.6
253.09830	5.1
255.08769	3.9
255.11401	74.8
256.09720	6.9
256.11826	4.7
257.09344	51.8
258.09695	3.2
263.74283	1.8
266.06995	14.1
271.10825	4.1
275.10483	1.9
281.09335	36.8
282.09662	2.7
287.15009	2.3
299.10397	42.1
300.10693	4.5
301.08316	19.8
302.08624	2.8
319.09399	3.1
319.38159	1.6
325.08282	2.8
343.09393	20.3
345.07516	8.0
375.11926	5.5
376.12143	1.6
387.08365	60.2
388.08670	7.5
401.25562	2.8
419.10889	15.5
419.18930	4.6
419.26999	7.7
420.20642	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	417.3377
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.11381	0.2
59.01371	0.4
62.72058	0.2
95.92087	0.2
116.12892	0.2
121.36296	0.2
125.91478	0.2
141.78665	0.2
146.06401	0.2
159.85130	0.2
177.36441	0.2
215.72729	0.2
417.33810	100.0
418.34183	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3015
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
54.64791	0.3
57.03450	5.1
59.01373	0.8
64.25426	0.3
70.20853	0.9
71.41350	0.2
75.03082	0.3
83.05039	0.7
84.44458	0.3
85.06599	4.3
95.75925	0.3
97.06577	0.3
107.45283	0.3
160.84084	0.3
231.78603	0.3
285.22348	0.3
298.22198	0.3
313.21768	0.4
315.23474	0.8
318.33994	0.3
329.24860	0.9
331.26532	1.4
337.25601	0.4
339.23239	0.3
341.13757	0.3
341.24823	3.0
342.25415	0.5
353.28519	0.3
355.26419	6.9
356.26883	0.8
357.28000	20.9
358.28287	2.8
363.26221	0.3
373.31140	6.3
374.31531	0.8
417.30124	100.0
418.30478	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	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53043	2.4
59.01386	100.0
61.82322	2.6
63.30352	2.7
69.45947	18.7
75.00871	8.0
77.39684	2.3
78.81747	2.8
84.73165	2.6
107.05021	6.8
123.04524	6.1
147.64865	2.6
149.06035	5.3
151.04010	7.0
257.14969	2.9
273.74792	3.2
289.05624	5.6
417.21027	6.7
417.34164	28.8
418.34116	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	417.2498
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.31366	0.4
55.01884	4.4
57.03452	4.8
58.00602	3.4
59.01385	73.9
60.01724	0.9
67.87122	0.4
69.03466	1.2
69.37731	0.8
69.38118	3.5
71.01388	100.0
72.01729	2.0
72.97536	0.7
72.99315	5.9
73.02951	22.4
74.00607	0.5
75.00880	1.2
77.33465	0.6
78.59537	0.4
83.01395	11.1
85.02957	37.8
86.03297	0.9
87.00880	5.7
87.04510	2.3
89.02454	56.7
90.02819	0.5
95.01390	6.5
97.02966	1.7
99.00890	9.6
101.02452	75.9
102.02804	1.5
111.00889	0.8
112.01658	1.0
113.02460	45.0
113.87526	0.4
114.02793	1.3
117.01868	0.5
119.03508	22.8
120.03906	0.6
122.50101	0.5
125.02432	2.4
129.01953	1.0
131.03511	2.8
143.03516	9.1
149.04572	1.8
151.00464	0.5
159.02992	7.5
161.04570	42.2
162.04910	1.8
179.05630	9.7
181.05052	0.6
191.05627	0.5
205.03555	1.5
255.06558	1.2
255.19714	2.4
261.31320	0.5
309.86740	0.4
386.47083	0.5
417.24951	31.1
418.25183	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	417.3013
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
54.09882	0.8
57.03444	2.1
59.01389	10.6
69.03453	0.8
70.40102	2.3
70.40472	1.3
71.01389	3.3
73.56466	0.8
77.40568	0.8
96.96041	0.9
144.78036	0.7
179.69771	0.7
331.26624	1.6
341.24734	0.9
345.28125	3.4
348.59030	0.7
355.26398	11.9
356.26785	2.1
357.27997	37.6
358.28354	4.9
373.31223	6.7
374.31769	1.3
395.54630	0.9
399.29211	1.3
417.30145	100.0
418.30447	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	417.1772
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
50.36182	0.9
55.01873	2.2
57.03445	3.8
57.44030	1.1
58.00599	2.7
59.01385	74.1
63.17530	0.9
69.50233	5.8
71.01388	39.4
72.01719	1.3
72.99316	2.8
73.02946	3.6
74.04152	1.3
75.00882	1.4
83.01402	2.5
83.05028	1.6
84.16575	1.2
85.02958	11.6
85.06614	1.6
87.00870	1.7
89.02456	26.7
90.02785	1.2
95.01414	3.6
96.96927	1.1
101.02457	25.7
111.04579	1.8
111.08156	7.6
113.02464	15.4
119.03507	10.4
125.02391	1.3
135.08116	1.2
139.07649	3.7
152.30583	1.3
161.04614	7.9
173.04597	3.2
175.11317	1.4
178.10161	1.3
179.05634	1.3
181.05037	2.4
191.05635	4.9
193.12334	20.8
194.12669	1.3
195.06657	1.4
211.13399	5.1
220.46092	1.4
233.06555	1.3
237.11334	29.1
238.11736	1.7
241.84016	1.2
357.15433	2.1
373.18655	11.0
374.19019	1.3
417.17688	100.0
418.18048	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65586	0.8
55.89469	0.9
57.03453	8.3
59.01383	24.8
61.98822	1.0
66.80457	1.1
69.03484	1.1
71.01412	1.5
75.00877	1.3
81.03471	1.6
83.05031	12.2
97.06602	10.6
109.06615	2.6
111.08170	93.5
112.08508	2.8
123.08169	6.5
125.09733	93.3
126.06100	1.0
126.10067	3.2
129.09227	3.7
143.10822	1.0
169.08690	1.8
173.08200	83.2
174.08556	4.1
187.09772	80.0
188.10098	4.1
229.10886	1.3
230.15265	1.4
233.36888	1.2
247.11859	16.6
261.13434	15.7
262.13889	1.2
322.92975	0.9
391.30121	0.9
417.21323	100.0
418.21661	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	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24969	0.2
59.01386	100.0
60.01707	1.2
60.85212	0.2
71.01405	0.9
85.02984	0.6
86.52189	0.2
89.02457	0.2
98.19882	0.8
101.02454	0.6
113.02464	0.5
113.72542	0.2
270.58185	0.2
271.41339	0.3
308.03094	0.2
375.24048	0.6
417.21448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
59.01388	100.0
59.24770	1.2
60.01701	1.2
61.19561	1.3
69.67941	2.0
69.68357	7.2
70.88879	1.2
71.01392	23.6
73.02596	1.2
73.02937	6.8
83.01397	2.3
83.39196	1.3
85.02957	10.0
89.02464	5.8
93.03448	1.8
95.01439	2.0
99.00880	3.5
101.02462	14.9
102.28345	1.7
113.02471	8.8
119.03488	2.2
121.02983	2.0
139.07651	7.3
143.03516	2.2
145.34149	1.6
159.02943	3.6
161.04605	22.3
173.04485	1.6
180.07925	6.8
191.05681	1.8
195.10268	11.0
224.79190	1.4
243.12320	1.7
289.79077	1.2
357.15479	6.3
381.17584	4.0
417.16171	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1555
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.85000	0.3
51.04208	0.3
51.87130	0.3
59.01384	1.9
67.01913	0.4
71.01378	1.0
71.57088	0.3
73.02947	0.4
75.02201	0.3
77.73549	0.3
81.03464	0.4
85.02470	0.2
85.02965	1.1
88.43768	0.2
88.55606	0.3
89.02451	0.4
92.96412	0.3
93.03468	0.9
95.01403	1.4
95.05044	0.5
101.02451	0.6
107.05056	0.5
108.02205	0.3
109.02982	4.5
111.00872	1.2
113.02426	0.4
113.25574	0.3
119.73146	0.2
121.02990	1.0
123.00901	3.9
123.04537	0.6
124.01705	0.7
125.02444	1.1
133.02950	0.5
135.04567	0.3
136.01639	0.5
137.02460	16.3
138.02863	0.6
139.00375	0.5
139.04031	0.6
146.97395	0.3
147.04514	0.5
149.02492	1.6
149.06032	0.5
150.03238	1.0
151.00383	26.2
151.03992	2.1
152.01169	2.5
152.04823	3.0
153.05475	0.4
159.04500	0.8
162.03275	0.4
163.04065	0.6
164.04749	0.5
165.01941	1.8
166.02730	66.1
167.03366	4.6
173.02483	0.5
175.03979	1.5
177.01952	3.6
177.05618	0.4
178.02586	0.8
179.03488	0.9
181.05086	100.0
182.05423	4.4
184.03787	1.3
187.04039	0.3
189.05641	0.5
190.02811	0.8
190.06360	1.2
191.03500	1.3
191.05583	0.6
192.04282	1.4
193.05055	0.9
195.03011	0.9
203.03595	0.6
204.04305	0.3
205.05067	0.9
205.08728	2.1
207.06677	1.5
219.06628	0.4
221.04489	0.3
224.03323	0.5
227.03558	0.6
243.06816	0.3
255.03122	1.0
267.06360	0.3
283.06415	0.4
284.03329	0.6
285.04028	0.4
301.07324	1.0
316.09604	0.4
329.10242	0.5
357.10074	0.4
359.11316	2.0
371.15195	0.8
372.08469	0.4
387.10889	16.5
388.11111	1.8
402.13223	12.7
402.18610	0.5
403.13483	1.4
417.15659	28.8
417.24905	1.2
418.15967	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	416.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59383	1.3
59.01376	4.4
61.98837	100.0
71.01378	2.8
75.00871	1.9
78.95901	3.8
82.42347	1.5
85.02965	1.5
89.02463	4.2
93.03475	1.6
96.96004	3.3
96.96970	6.8
99.00184	1.4
101.02441	1.5
104.32105	1.4
116.25213	1.3
124.45792	1.5
125.02424	1.9
130.68579	1.5
135.04510	2.5
160.77892	1.4
173.04495	2.4
179.03595	1.7
191.05644	19.9
195.29927	1.5
201.20581	1.3
261.13800	1.4
346.28961	2.0
353.08813	2.7
394.61774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.2
58.00587	2.8
58.91179	1.1
59.01385	74.4
64.61201	1.1
69.03474	7.1
70.82403	3.3
71.01389	75.0
72.99319	4.2
73.02961	10.5
75.00878	4.9
77.03999	1.3
81.03474	3.8
83.01379	5.4
85.02953	6.5
87.00893	2.3
89.02454	100.0
95.01394	2.5
95.05091	6.5
97.02958	12.3
99.00895	15.1
99.04515	1.9
101.02448	14.2
105.03458	2.2
107.01430	1.2
111.00890	2.4
113.02476	8.8
115.04014	7.0
119.03519	2.1
119.41039	1.1
120.32610	1.1
121.02945	1.6
123.04536	81.0
124.04923	2.1
125.02458	45.9
127.04031	1.3
131.03503	13.0
143.03528	4.0
149.02516	2.0
149.04584	13.7
161.04527	2.7
173.04509	1.6
191.05608	9.5
191.71301	1.3
233.06682	40.3
293.08801	50.6
294.09213	1.6
327.95767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01382	2.3
59.26056	0.2
60.01718	0.2
67.01897	0.4
68.99818	0.3
69.03452	0.3
71.01382	0.9
71.57219	0.2
73.02953	0.3
77.64077	0.1
81.03448	0.4
82.22930	0.2
83.01389	0.3
83.42880	0.1
84.02176	0.4
85.02957	0.8
87.04537	0.1
87.17484	0.2
89.02444	0.5
93.03465	0.9
95.01399	1.2
95.04990	0.2
97.02951	0.2
99.00946	0.2
101.02430	0.2
105.03449	0.3
107.05019	0.2
108.02185	0.3
109.02964	3.4
111.00885	0.5
111.04505	0.2
113.02452	0.3
117.03510	0.2
119.05030	0.2
121.02944	1.2
121.06589	0.2
121.38463	0.1
123.00895	4.2
123.04536	0.7
124.01672	0.6
125.02494	1.1
128.74580	0.2
131.05045	0.2
133.02968	0.5
134.03683	0.2
135.00897	0.3
135.04536	0.4
136.01610	0.3
137.02457	16.2
138.03107	0.6
139.00410	0.8
139.04010	0.6
145.02939	0.3
147.04494	0.4
149.02455	1.8
149.06099	0.5
150.03215	0.7
151.00380	26.0
151.03996	1.8
152.01164	2.6
152.04794	3.0
153.01950	0.3
153.05592	0.2
154.02780	0.4
159.04527	0.5
161.02431	0.5
161.04559	0.2
162.03255	0.3
163.04022	0.7
164.04872	0.4
165.01904	1.2
166.02727	67.5
167.03369	4.9
168.04153	0.2
171.47107	0.2
173.02443	0.5
173.04526	0.7
173.06018	0.2
174.03221	0.3
175.04025	1.6
175.07552	0.3
176.01172	0.2
176.04608	0.3
177.01955	3.8
177.05576	0.5
178.02620	0.6
179.03467	0.7
179.07132	0.4
181.05078	100.0
182.05396	5.0
184.03731	1.2
187.03894	0.2
189.05635	0.5
190.02795	0.4
190.06323	1.3
191.03510	1.3
191.05569	0.6
192.04320	1.1
193.05049	1.3
195.02965	0.7
199.75552	0.2
202.02846	0.2
203.03508	0.6
204.04170	0.3
205.05112	1.0
205.08694	1.9
206.05768	0.4
207.06667	1.6
209.04578	0.4
217.05046	0.2
218.05696	0.3
219.06599	0.5
220.07266	0.2
221.04663	0.3
224.03226	0.3
225.05696	0.2
228.27773	0.2
233.08272	0.4
235.06131	0.4
259.06305	0.2
281.04684	0.2
283.06207	0.2
299.05688	0.3
301.07208	0.7
301.10577	0.2
302.07632	0.2
314.07925	0.3
316.09457	0.4
329.10281	0.4
339.08652	0.3
341.10446	0.3
344.09201	0.2
356.12442	0.2
357.09778	0.4
359.11349	2.2
360.11844	0.4
369.09802	0.2
371.14917	0.8
372.08386	0.3
387.10876	16.7
388.11179	2.1
402.13223	13.1
403.13510	1.7
417.15598	29.4
417.24969	0.8
418.15955	4.4
418.21487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41650	0.5
71.41988	0.7
72.97998	0.4
72.99316	14.6
73.02950	6.0
75.00880	77.7
76.01231	0.9
91.20839	0.4
103.94544	0.5
105.82090	0.5
119.32629	0.4
222.59914	0.5
260.76245	0.5
261.91925	0.5
289.72592	0.6
295.30029	0.9
323.33264	0.5
398.82922	0.5
415.34311	100.0
416.34665	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	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.98833	10.6
64.21803	0.9
69.39430	5.7
71.01394	2.1
77.24746	0.8
85.02956	5.8
87.00902	1.2
89.02488	1.1
93.03481	2.4
97.29534	0.9
98.19855	1.6
109.03001	2.1
127.04047	1.2
161.02492	1.6
173.04558	1.8
179.03505	1.1
189.83392	1.1
191.05623	100.0
192.05945	3.4
226.64639	0.9
280.09402	1.0
281.77097	0.9
282.83160	0.9
292.07358	1.0
306.32101	0.9
353.08853	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	416.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81363	3.0
59.01384	23.0
61.98828	15.8
67.01908	5.0
69.37913	3.3
69.38266	28.3
71.01371	7.5
72.90716	3.2
78.95965	3.6
80.53893	3.6
85.02956	11.8
86.05228	3.3
87.00887	5.4
89.02427	4.7
93.03448	25.9
97.93639	3.9
101.02453	6.1
111.04485	5.2
113.02441	4.5
119.03545	4.4
135.04550	56.4
137.02466	4.2
139.04082	3.7
146.59645	3.2
161.02408	4.8
161.04648	6.9
173.03133	6.8
173.04552	100.0
179.03532	61.9
180.03799	5.0
191.04018	4.5
191.05618	56.6
353.08807	59.1
354.09357	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	415.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
66.49530	0.2
71.01379	0.2
74.80592	0.2
77.00661	0.2
93.11704	0.2
96.96038	0.2
103.43909	0.2
103.49725	0.3
104.01855	0.2
159.32495	0.2
171.87981	0.2
186.55565	0.2
219.27026	0.2
237.22054	0.2
242.59862	0.2
337.21710	0.2
353.28482	1.9
354.28876	0.3
415.32251	100.0
416.32565	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	415.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83831	0.5
59.01386	1.7
66.49786	0.8
66.69635	0.6
69.39040	0.6
73.59853	0.6
77.93499	0.6
83.05035	1.0
104.19501	0.6
108.18057	0.6
132.19627	0.7
179.46039	0.7
193.49640	0.6
217.40392	0.6
229.59552	0.7
398.23343	0.7
415.32239	100.0
416.32529	16.3
419.69809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
65.68269	1.2
69.60722	8.6
72.99312	14.9
75.00877	69.9
76.01231	1.9
88.46207	1.3
123.62970	1.2
144.51961	1.3
172.06361	1.3
401.08139	1.2
415.34326	100.0
416.34531	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	415.2856
Annotation	12beta,22-Dihydroxy-24-methylscalar-17-en-24,25-olide
Peak:m/z	Relative Intensity
52.60639	0.9
57.26148	1.1
57.90856	0.9
59.01385	5.5
61.98845	1.6
69.33008	7.3
71.01349	1.2
72.42188	0.9
80.07024	1.1
89.02436	1.1
98.19853	1.9
146.81679	1.0
150.47563	0.9
163.11279	3.3
313.25452	3.0
329.24667	1.5
339.23215	2.6
353.24753	1.4
355.26450	22.9
356.26730	2.3
359.29468	1.8
371.29578	46.5
372.29926	6.5
415.28482	100.0
416.28931	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35444	0.3
57.20269	0.3
59.01385	100.0
60.01722	1.4
61.98838	0.4
69.20109	2.8
69.20523	0.5
71.01388	5.1
72.99331	0.4
73.02962	0.4
76.81522	0.3
83.01387	0.5
85.02968	1.6
87.68214	0.3
89.02455	4.9
95.01453	0.4
97.60808	0.3
99.00868	0.4
99.04527	0.4
101.02457	3.3
113.02463	2.1
119.03503	1.8
143.03497	0.4
161.04605	1.2
161.13338	2.7
191.05563	0.5
191.14470	2.2
235.13490	1.3
282.15100	0.3
373.22467	0.5
415.19330	0.7
415.24054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Dendroside A
Peak:m/z	Relative Intensity
53.20578	0.6
55.01883	9.2
57.03455	5.3
57.47598	0.6
58.00600	3.0
59.01386	63.9
68.99842	0.7
69.26782	0.7
71.01389	72.4
72.99311	3.4
73.02956	32.8
75.00877	1.8
80.04758	0.7
80.59959	0.7
81.03429	0.8
83.01395	15.8
83.05054	1.0
84.01739	0.7
85.02959	42.6
87.00871	4.3
89.02454	15.1
90.02729	0.7
93.43490	0.6
94.12997	0.6
95.01389	5.9
97.02950	1.7
98.20676	1.2
99.00886	11.9
101.02454	100.0
102.02801	1.9
111.00922	1.2
113.02463	31.0
114.02805	1.0
119.03514	3.9
125.02462	1.3
129.01936	1.5
143.03496	4.6
159.03004	6.5
161.04570	46.5
162.04921	1.3
173.02827	0.6
173.04440	0.7
179.05649	1.3
191.05569	0.8
205.03616	1.0
235.13380	0.8
251.16570	1.6
253.18227	1.4
313.20145	4.1
341.19958	1.1
353.19687	10.0
354.20111	1.0
355.06659	0.7
371.20901	3.0
385.18686	1.4
397.18454	0.8
415.23602	65.8
416.19989	0.7
416.23962	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68841	0.2
57.03448	0.2
59.01386	100.0
60.01719	1.1
61.01840	0.2
66.30386	0.2
71.01386	2.7
71.56258	0.3
73.02966	0.6
83.01379	0.3
85.02952	1.2
89.02450	1.2
95.01440	0.2
99.00889	0.3
101.02452	1.8
107.37421	0.2
113.02474	1.1
119.03535	0.3
161.04585	1.2
173.04573	0.3
191.05667	0.2
217.29686	0.2
258.83566	0.2
373.22379	0.4
415.23550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78802	0.6
52.24282	0.5
59.01384	3.9
62.09597	0.6
66.19650	0.6
70.38112	2.4
71.01419	0.6
74.99110	6.4
77.00673	70.8
88.03280	0.7
94.33228	0.7
99.04515	0.8
114.68290	0.6
147.08168	2.0
149.09753	1.7
149.51764	0.6
161.09680	1.1
163.11287	2.6
187.11301	2.3
195.18562	0.6
247.37630	0.6
265.12491	0.7
280.14694	1.0
289.21851	1.0
307.16953	0.8
309.22281	2.4
337.21747	100.0
338.22049	11.4
371.29587	1.0
415.23141	11.8
415.28192	4.7
415.33011	9.3
416.23557	1.7
416.32819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48080	0.6
55.01900	0.6
55.72731	0.6
56.84886	0.6
57.03447	0.8
59.01385	100.0
60.01732	1.3
71.01390	9.9
72.99321	0.8
73.02954	2.6
79.64737	0.5
83.01440	0.9
84.89157	0.6
85.02956	3.8
89.02454	9.3
99.00920	0.8
101.02441	7.9
102.14185	0.6
111.00914	0.7
113.02444	4.1
119.03528	2.3
124.25357	0.6
134.65938	0.7
143.03561	1.0
161.04559	5.5
211.17157	1.0
229.47131	0.6
261.13254	0.7
294.80017	0.5
309.82864	0.6
355.21335	0.9
373.22302	6.1
415.23422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	0.9
57.03452	0.8
57.39098	0.5
58.00595	2.0
59.01382	60.9
60.01707	0.7
60.07193	0.6
69.03465	0.7
69.88554	1.3
69.88960	1.5
71.01386	47.4
72.01723	1.1
72.99315	1.6
73.02953	13.1
83.01389	0.8
85.02958	4.8
87.00886	1.3
89.02451	100.0
90.02774	1.0
95.01391	1.0
97.02937	1.3
98.20615	1.0
99.00888	26.1
100.01255	0.5
101.02449	31.0
113.02459	10.0
118.43178	0.5
119.03507	6.8
125.02460	4.9
131.03513	16.2
143.03508	1.3
149.04567	56.0
150.04890	2.2
161.04553	3.0
179.05603	2.7
191.05623	13.6
221.06664	0.9
225.77812	0.5
228.72551	0.5
251.07726	3.2
260.88586	0.6
293.08731	0.7
415.16147	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	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.8
55.18067	1.3
57.03454	6.8
58.00595	2.2
59.01386	68.1
60.01720	1.8
70.57936	1.3
71.01388	100.0
72.01718	2.2
72.99312	3.3
73.02951	33.6
75.00900	1.7
83.01407	14.7
83.86354	1.4
85.02960	45.4
86.64279	1.2
86.74271	1.4
87.00886	5.8
89.02451	31.6
93.03461	1.3
95.01385	6.8
97.02946	2.0
98.20653	4.6
99.00906	12.5
101.02453	86.6
102.02819	1.5
111.00889	2.5
113.02457	44.9
113.03263	2.2
119.03526	12.1
125.02443	3.6
129.01964	2.8
131.03517	1.5
143.03506	5.8
159.03009	10.4
161.04570	65.1
162.04866	1.9
173.04584	1.5
179.05620	2.2
191.05589	2.4
199.16270	1.6
341.19781	3.7
353.19714	46.5
354.20096	4.4
371.20731	13.1
385.18692	7.4
397.18832	3.2
415.19226	29.4
416.20059	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	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03441	2.2
58.00595	3.4
59.01384	100.0
60.01704	0.9
61.98837	4.8
69.49059	2.4
69.49487	3.9
71.01387	65.9
72.99316	4.0
73.02956	3.4
83.01402	5.5
83.05054	1.7
85.02962	14.0
87.00884	3.9
89.02452	74.6
90.02813	1.2
93.03463	1.7
95.01395	5.9
95.49642	0.9
97.06594	1.0
99.00904	2.1
101.02448	33.2
106.16174	0.8
109.49535	0.8
113.02457	23.5
115.69000	0.9
119.03515	27.8
131.03497	3.7
135.11795	6.8
143.03484	4.9
149.04604	2.4
159.02950	1.1
161.04578	11.4
161.13373	63.5
162.13683	3.6
173.04543	4.9
173.13370	1.4
179.05635	10.9
191.05589	2.5
191.14424	40.1
192.14714	3.9
235.08305	1.4
235.13400	22.9
236.13661	2.3
258.93445	0.9
415.18906	1.8
415.23962	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	413.3064
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.41539	0.4
56.14622	0.4
59.01377	1.8
69.30928	2.6
69.31358	1.2
71.17229	0.5
73.02943	1.9
98.19855	0.7
115.07828	0.4
172.01927	0.5
177.30222	0.4
181.17046	0.4
222.66241	0.5
230.43762	0.4
257.08762	0.4
272.17242	0.4
413.30621	100.0
414.30978	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	413.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10879	1.1
57.03464	2.1
59.01374	4.3
62.83254	1.2
69.20765	10.3
73.02950	3.0
75.00887	4.4
79.23643	1.1
83.05061	2.1
85.02950	5.9
95.80272	1.0
99.00873	2.9
99.08163	10.3
101.06082	2.0
101.88027	1.1
106.95142	1.0
121.94704	1.1
135.02464	1.0
211.51671	1.1
243.19656	2.2
267.26978	5.5
281.28546	2.7
285.40082	1.1
295.05759	1.2
309.31671	11.6
341.30615	3.7
351.32703	9.0
358.70325	1.2
369.29422	2.4
369.33783	37.9
370.34192	5.1
395.31662	7.2
413.32675	100.0
414.33121	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.3
56.35227	0.8
57.03453	6.4
58.00590	1.3
59.01384	74.9
59.64062	0.9
59.68529	1.0
61.98835	11.4
67.01888	0.9
69.03461	2.6
69.44202	7.0
71.01387	77.8
71.04968	0.9
72.01707	1.5
72.99312	4.2
73.02953	38.0
75.00882	2.2
81.03470	1.9
83.01394	28.0
83.05025	1.0
85.02959	39.4
85.09647	0.9
87.00880	4.3
89.02464	9.9
93.03491	1.6
95.01404	4.8
97.02956	4.3
98.20599	1.8
99.00890	13.1
99.04519	1.4
99.91531	1.0
101.02451	70.2
102.02776	1.1
103.04025	4.0
109.02962	1.2
111.04516	1.8
113.02458	25.9
119.03520	1.7
125.02443	6.4
127.04006	1.2
129.01906	1.8
137.02423	1.8
137.09708	1.1
143.03503	5.6
145.05072	2.6
153.01886	1.1
159.02971	7.8
161.04570	59.5
162.04814	1.9
163.06148	2.5
173.04572	6.5
181.08730	3.2
191.05643	7.4
197.11856	16.1
229.07195	2.6
236.66786	1.1
241.10837	14.0
247.08250	2.6
256.49380	1.0
269.10324	100.0
270.10596	7.6
415.16147	42.8
416.16574	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	413.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02617	1.6
55.01875	3.1
57.03455	8.5
58.00591	4.4
59.01385	100.0
60.01711	5.3
61.98837	3.2
65.36052	1.5
67.73143	1.3
71.01391	65.6
71.05026	9.8
71.57207	1.5
72.01728	4.2
72.99317	7.8
73.02947	6.5
75.00880	35.5
76.01209	1.5
82.51280	1.3
83.01392	4.1
85.02960	40.6
86.03299	4.1
87.00883	4.6
89.02451	67.2
90.02814	3.7
93.03477	2.3
95.01403	7.6
99.00896	5.7
99.04523	3.1
101.02459	41.5
102.02785	4.4
107.05051	7.0
113.02464	35.2
114.02779	6.3
116.01109	1.5
117.01996	1.5
119.03513	30.1
120.03856	2.9
125.02471	1.9
130.19711	1.3
131.80180	1.8
143.03506	3.4
149.04503	2.0
153.10367	1.4
157.01532	1.7
159.03111	2.2
161.04544	7.8
164.04823	1.6
173.04608	3.1
179.05577	4.3
179.07066	2.4
186.01976	3.0
187.02689	1.6
191.05582	11.8
218.04677	2.3
251.16544	2.9
300.68475	1.7
309.08896	3.1
322.67926	4.1
327.09894	3.8
412.71100	11.1
413.21649	15.0
413.26770	6.3
418.04535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.76359	8.9
85.02715	1.9
90.99476	1.7
98.20570	2.8
108.10602	1.9
123.87215	1.9
165.91582	2.0
241.96211	1.9
413.30988	2.3
413.36450	5.3
424.53299	2.4
437.86047	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.306
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
59.01390	1.6
71.03741	1.3
73.02969	1.4
80.98239	0.7
85.95326	0.6
88.49474	0.7
96.96007	0.9
102.35656	0.7
115.07644	1.2
129.09167	1.4
134.90407	0.7
143.10794	1.3
157.12331	1.0
211.16991	0.8
223.20567	0.8
235.20610	1.1
251.23906	1.5
253.21727	2.1
257.20398	0.7
269.21204	2.2
271.22702	1.0
283.22736	1.0
285.20926	0.7
297.20679	1.5
299.21954	0.7
315.21695	1.1
325.25305	2.2
337.25293	1.0
339.99200	0.8
353.28421	2.7
396.02124	0.8
413.30576	100.0
414.30884	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10003	0.4
57.03456	0.5
59.01385	100.0
60.01727	1.3
69.18341	0.5
71.01387	3.0
71.55341	0.5
73.02948	0.9
75.16930	0.4
85.02953	0.8
89.02459	0.9
101.02477	1.3
101.06091	0.9
113.02460	0.7
122.03757	11.8
123.04570	1.6
161.04614	0.8
165.05579	1.0
209.26506	0.4
255.20184	0.4
369.15826	1.0
413.14474	0.6
421.96594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01723	1.6
60.39129	0.4
63.64534	0.3
65.02665	0.3
71.01389	2.2
73.02969	0.5
73.55134	0.3
83.93407	0.3
85.02978	1.0
89.02461	0.8
95.01427	0.3
98.20654	1.1
101.02475	1.5
105.71329	0.3
112.49920	0.3
113.02477	1.0
113.28238	0.4
122.49827	0.3
129.85580	0.4
144.52171	0.4
147.11836	0.3
153.12933	0.4
161.04610	1.0
209.15620	0.5
229.17513	0.4
371.21014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38386	0.5
55.31697	0.4
58.02985	3.7
59.01382	2.3
65.79635	0.5
69.47564	3.4
70.02979	0.7
71.01376	0.8
73.04064	1.5
80.05047	0.6
80.98786	0.5
82.83433	0.4
84.04565	1.2
87.05650	20.4
89.02480	1.0
97.04072	0.8
99.05683	0.5
101.02448	1.1
101.07216	1.2
110.02534	3.0
111.05640	1.0
112.04047	1.2
113.02400	0.6
126.06746	1.6
127.05138	2.0
128.10948	0.5
129.06723	26.1
129.10387	0.5
130.08757	44.3
131.09122	1.2
135.14482	0.5
139.08772	0.7
140.07198	0.8
141.10333	1.3
143.11916	2.2
144.07793	5.6
157.13469	0.7
168.07739	1.5
168.09073	3.2
168.11385	0.5
169.09819	1.2
186.08853	2.2
191.05600	1.2
196.14526	1.1
199.18187	15.6
200.18607	0.9
209.16649	0.6
212.14134	0.6
214.15622	2.2
225.16122	2.9
238.15622	1.3
243.17194	4.5
256.20343	11.4
257.20538	0.7
300.19220	0.8
327.24048	6.2
338.36682	0.6
349.02634	0.5
369.25150	1.1
413.24097	100.0
414.24411	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86920	1.1
59.01382	3.3
64.11397	1.2
71.01381	5.0
71.54031	2.1
73.02946	1.3
78.95900	7.2
83.01369	1.5
85.02946	2.3
89.02447	2.5
95.01420	1.6
96.96024	22.0
96.96962	5.5
101.02441	2.6
108.02177	60.2
109.02983	20.2
113.02458	2.6
121.02921	1.3
135.04469	2.2
144.84151	1.1
148.05269	3.3
151.04056	1.5
152.01163	49.1
153.01962	19.0
162.98581	1.2
163.04030	2.0
165.01877	2.4
191.05595	1.5
205.92133	1.4
228.86035	1.2
250.98750	1.3
251.05525	1.9
278.87076	2.0
296.88254	2.0
315.07233	100.0
316.07675	7.4
328.41272	1.4
353.02179	2.7
413.16467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10003	0.4
57.03456	0.5
59.01385	100.0
60.01727	1.3
69.18341	0.5
71.01387	3.0
71.55341	0.5
73.02948	0.9
75.16930	0.4
85.02953	0.8
89.02459	0.9
101.02477	1.3
101.06091	0.9
113.02460	0.7
122.03757	11.8
123.04570	1.6
161.04614	0.8
165.05579	1.0
209.26506	0.4
255.20184	0.4
369.15826	1.0
413.14474	0.6
421.96594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45467	1.4
57.53754	1.4
59.01384	100.0
69.63510	9.3
96.96050	2.3
102.82149	1.5
113.43639	1.3
138.64682	1.4
171.32314	1.4
178.44289	1.3
196.73419	1.5
201.31691	1.3
217.66884	1.3
287.94366	1.6
349.31708	1.8
393.30042	2.0
411.30600	12.6
412.31311	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	411.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
59.01392	5.4
59.68164	0.8
61.98840	1.4
69.03446	0.9
69.28586	0.8
71.05018	1.1
71.56626	1.1
72.99329	1.1
75.00863	3.3
83.04996	1.2
87.17342	1.0
92.92833	0.9
109.06582	2.2
113.09772	1.3
121.36039	0.9
127.07668	78.2
127.11272	1.3
128.07979	2.9
130.26613	1.0
169.88826	1.0
221.19119	34.2
222.19568	2.2
239.20261	1.9
265.18109	20.0
266.18262	2.2
283.19162	36.6
284.19421	4.0
301.20184	2.6
349.27505	4.8
353.23303	1.6
367.28452	3.2
393.26227	4.5
394.26636	1.0
411.27481	100.0
412.27792	14.3
412.32559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28580	0.8
57.67727	0.6
58.92521	0.6
59.01390	5.1
60.01717	0.8
61.98837	100.0
70.29039	2.3
71.01385	5.3
73.02951	1.4
77.34407	0.7
85.02969	2.0
87.00877	1.1
89.02471	2.9
93.03465	1.9
95.16613	0.8
101.02484	3.3
105.90107	0.6
113.02466	1.5
133.03073	0.9
135.04478	1.9
161.02480	1.5
161.04524	1.6
162.04848	1.1
173.04630	1.1
189.05643	2.6
191.05679	3.1
219.24915	0.8
221.06712	0.7
229.04274	1.0
248.98318	0.8
251.05661	2.1
280.14801	0.9
412.19226	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	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22646	0.6
59.01368	1.5
61.98836	100.0
62.92850	0.6
69.51765	1.2
69.52177	3.2
71.01402	0.7
85.02972	0.7
89.02438	1.0
93.03504	1.3
100.20033	0.7
119.05122	1.0
135.04549	1.2
163.04037	1.7
173.04601	0.8
191.05658	1.5
209.08325	1.0
285.03873	0.7
291.97348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42155	0.5
59.01377	4.4
61.98836	100.0
68.96304	0.5
69.38268	3.7
69.38919	0.5
71.01390	2.6
73.02950	0.6
78.95930	0.5
85.02968	1.2
89.02437	2.5
93.03471	2.0
96.96033	1.0
101.02502	1.1
109.02937	0.7
111.04536	0.7
113.02468	0.9
133.02959	1.0
135.04556	2.2
142.01714	1.4
161.04649	0.7
173.04543	3.5
177.01941	0.8
179.03601	1.1
191.05684	2.4
192.99721	0.7
193.99997	1.1
223.95085	0.6
229.04335	0.7
285.04150	1.4
312.62253	0.6
352.19907	0.9
413.14737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1274
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.27099	0.5
55.01865	0.6
57.03444	0.9
59.01387	7.9
61.98823	1.8
67.75898	0.4
69.57432	3.4
71.01390	9.8
72.00916	28.9
73.02952	3.6
74.02483	16.1
78.95910	0.6
83.01398	1.7
85.02969	4.0
87.00886	1.1
89.02463	3.6
93.03468	1.1
95.01392	0.8
96.96016	0.5
98.20628	1.0
99.00901	0.9
100.00414	21.0
100.04056	1.8
101.02461	7.4
113.02470	3.5
118.05118	100.0
119.03490	1.0
119.05474	2.7
125.02476	0.7
133.03018	0.7
134.03795	1.0
134.04739	0.9
135.04559	3.5
143.03503	0.7
144.03038	20.4
149.04451	0.8
157.10931	0.6
160.02666	4.8
161.02461	2.1
161.04567	5.6
173.04570	1.9
179.03473	2.7
191.05614	10.5
192.05838	0.6
201.01697	2.0
265.13043	0.6
279.14484	10.2
323.13660	0.8
375.07004	11.1
376.07324	0.6
411.18756	4.1
412.19302	0.8
416.29135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.8
57.03464	3.5
58.00591	2.0
59.01385	40.4
60.01715	1.0
60.02426	0.7
64.66153	0.7
68.50499	0.7
69.03455	1.4
69.48314	1.5
69.48714	4.1
71.01388	61.3
72.01719	1.5
72.99303	3.0
73.02954	29.9
74.02448	0.7
75.00871	2.5
81.03454	0.8
83.01395	14.6
85.02958	30.0
85.56514	0.7
86.00108	1.3
87.00877	3.7
89.02454	17.4
93.03478	1.7
95.01392	4.3
97.02966	3.1
99.00887	12.2
101.02454	61.1
102.02777	1.3
111.00937	3.7
113.02460	25.0
114.02778	0.7
115.04009	2.0
117.09192	1.5
118.05155	1.2
119.03522	1.8
119.61833	0.7
125.02461	5.1
129.01915	2.1
131.03520	4.5
133.02950	0.9
134.03697	0.9
135.04523	2.6
141.02075	0.8
143.03493	3.0
149.04539	2.6
159.03001	5.4
161.02452	1.7
161.04570	25.0
162.04869	1.0
163.04012	1.4
179.03516	2.2
191.05620	9.2
201.01682	1.3
233.06693	3.0
265.12811	0.8
279.14499	87.0
280.14899	5.2
293.08850	1.1
323.13358	0.8
375.06970	10.2
411.18726	100.0
412.19095	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	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37622	0.4
57.03435	0.4
59.01384	100.0
60.01724	0.9
65.66663	0.4
69.31811	3.2
71.01385	12.2
72.99309	0.5
73.02953	14.0
75.00871	0.5
78.57681	0.5
83.01407	3.6
85.02962	2.8
89.02451	5.7
95.01390	0.9
99.00838	0.7
100.84967	0.4
101.02448	11.9
113.02458	7.7
119.03534	1.7
131.03548	0.7
137.09724	3.5
155.03485	0.6
161.04630	1.6
179.05785	0.8
184.26160	0.5
189.12932	0.6
191.05664	0.5
195.10303	1.0
213.11301	0.5
375.17072	0.5
411.20505	0.8
416.91269	0.4
421.03165	0.5
422.50919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.3
57.03449	2.8
59.27500	0.7
69.03450	2.3
70.29418	2.5
71.01402	1.2
78.95914	3.9
89.13777	0.8
93.03453	0.8
95.05022	2.2
96.96019	1.0
97.02969	1.6
97.06613	2.2
99.00893	29.2
117.48177	0.8
137.97963	0.7
139.05840	0.7
141.01898	0.7
141.63242	0.8
152.99599	4.3
267.24149	1.5
267.26965	20.6
268.27335	3.0
293.57327	0.7
305.28458	2.3
321.31659	1.8
337.31183	1.1
347.33231	0.8
365.30618	100.0
366.31006	12.8
409.21149	0.9
409.29163	14.7
409.37088	3.9
410.29828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.96952	0.4
57.03449	2.7
57.25592	0.4
64.29565	0.4
69.03459	10.0
71.01371	1.0
71.54951	0.8
78.95889	0.9
85.02951	0.6
95.05029	0.5
97.02930	1.0
97.06587	4.2
99.00871	0.5
99.04537	0.7
100.30620	0.5
113.02419	1.7
113.06110	0.6
116.38674	0.4
116.53065	0.4
125.02450	1.3
126.03207	1.4
139.04025	0.6
141.05539	0.5
141.09232	3.5
152.99600	1.0
158.02188	2.0
201.16940	0.5
230.49057	0.4
239.08563	0.4
267.26895	3.2
337.31216	0.6
365.34219	0.6
367.28589	1.8
391.32034	1.2
409.33194	100.0
410.33597	13.7
410.37701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98343	0.9
61.98822	1.0
67.52688	0.8
78.95921	1.6
79.95741	1.5
88.36498	0.8
96.96019	9.0
97.06624	0.8
123.83439	0.8
152.99554	2.5
267.23367	2.2
283.22833	4.1
287.51187	0.8
337.31125	1.1
358.80878	1.0
391.35748	9.1
407.35529	1.1
409.26852	8.6
409.36917	100.0
410.37238	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44265	0.5
55.01880	7.3
57.03455	5.9
58.00596	3.8
59.01384	79.6
60.01724	0.8
61.64037	0.6
65.43697	0.5
67.01911	1.0
68.99824	0.8
69.03477	2.5
69.26230	5.2
71.01386	85.7
72.01726	1.5
72.99312	4.8
73.02952	27.2
75.00874	1.1
80.95725	0.5
81.03479	1.0
83.01393	19.2
83.01897	0.9
83.04998	0.6
85.02957	36.7
86.00105	1.7
86.03331	0.6
87.00891	5.4
87.04456	0.5
89.02451	43.4
90.02802	0.8
93.03477	3.8
95.01402	4.1
97.02953	3.5
97.06614	2.5
98.20679	1.1
99.00885	11.4
99.04541	0.7
101.02451	81.8
101.53500	0.5
102.02809	1.3
103.04044	0.5
109.02984	1.2
111.00891	7.0
111.04543	1.2
113.02457	23.9
113.09761	0.7
114.02804	1.0
115.04022	2.0
115.11324	0.7
119.03499	1.5
121.02988	0.8
125.02457	5.8
127.04044	0.8
129.01956	3.0
131.03513	27.9
132.03889	0.8
133.02992	1.4
134.03790	0.7
135.04539	1.7
137.02437	1.2
143.03510	4.1
149.04568	11.8
149.05725	1.0
151.07617	0.5
155.03552	0.7
159.03014	3.7
161.02554	0.9
161.04568	21.0
162.05008	0.8
173.04535	4.5
176.04088	1.3
179.03497	1.7
185.11815	0.6
187.06038	0.6
191.05632	12.0
191.10985	0.5
192.05960	0.7
215.05707	2.1
233.06606	4.5
242.05164	3.5
242.55418	2.5
246.74281	0.5
259.15588	1.0
264.04547	0.8
264.54950	1.1
265.05209	0.6
277.16568	100.0
278.16956	5.4
291.58856	0.7
294.05475	0.8
311.05695	0.9
312.06186	0.9
321.15619	0.8
393.50586	0.6
400.10754	1.0
409.20792	75.5
410.21179	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.1
56.44307	0.6
57.03448	5.0
58.00595	1.2
58.61320	0.6
59.01385	34.5
60.01698	0.8
69.03453	1.3
69.63448	4.1
70.94694	0.6
71.01389	57.7
72.01714	0.7
72.99281	2.3
73.02953	30.8
75.00883	2.0
81.03465	1.4
83.01395	15.3
85.02957	33.8
85.68700	0.6
86.00085	2.3
86.03278	0.7
87.00885	3.5
87.01308	0.6
89.01936	1.1
89.02451	12.9
93.03461	2.7
95.01406	4.6
96.04639	0.6
97.02948	2.8
97.06610	0.7
98.20627	1.2
99.00274	1.0
99.00890	12.9
101.02449	65.3
102.02793	1.1
107.05543	0.6
109.02960	0.6
111.00893	2.1
111.04526	1.6
113.02460	21.3
113.09721	0.7
114.02838	0.8
115.04016	1.2
115.11298	1.0
119.03505	0.8
123.04503	0.7
125.02479	3.8
127.03967	0.7
129.01923	2.1
131.03510	3.3
135.04575	0.8
143.03465	2.4
149.04503	2.3
159.02983	4.5
159.05106	0.6
161.03268	1.4
161.04553	20.2
173.04514	3.2
176.03992	0.8
179.03560	1.1
191.05621	6.1
203.69435	0.6
233.06728	3.2
239.07120	0.6
242.05025	1.3
264.04462	0.8
277.16568	100.0
278.16882	7.5
293.08725	1.0
303.06100	0.7
367.90991	0.8
409.20798	89.2
410.21149	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.2
57.03456	3.4
58.00592	1.1
59.01383	35.8
60.01715	0.3
68.99818	0.3
69.03471	1.3
69.34733	0.8
69.35159	0.7
71.01387	42.8
71.24310	0.2
72.01727	0.8
72.99326	2.2
73.02953	22.2
74.03302	0.4
75.00874	1.1
81.03460	0.6
83.01395	16.9
84.01735	0.4
85.02957	26.6
86.00110	1.8
86.03311	0.6
87.00882	2.2
87.04523	0.5
89.02448	5.1
95.01402	3.2
97.02959	2.3
98.19885	0.3
99.00892	8.2
99.04532	0.4
99.08189	0.5
101.02451	55.2
101.09765	0.7
102.02793	1.1
103.04033	2.1
111.00876	1.3
113.02460	19.0
114.02757	0.5
115.04026	0.4
119.03531	1.2
125.02462	2.5
125.87111	0.3
127.03999	0.3
129.01967	1.6
131.03535	0.5
131.31973	0.2
141.01938	0.5
143.03494	2.1
145.05066	1.1
159.03001	3.8
161.04568	20.1
162.04924	0.6
163.06119	1.2
171.10271	0.7
178.04160	0.2
187.06064	0.2
191.05609	0.8
205.03543	0.4
229.07213	1.1
247.08174	1.2
263.15005	100.0
264.15353	7.3
302.69781	0.3
307.14066	0.6
364.58569	0.2
409.20779	24.9
410.21130	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44265	0.5
55.01880	7.3
57.03455	5.9
58.00596	3.8
59.01384	79.6
60.01724	0.8
61.64037	0.6
65.43697	0.5
67.01911	1.0
68.99824	0.8
69.03477	2.5
69.26230	5.2
71.01386	85.7
72.01726	1.5
72.99312	4.8
73.02952	27.2
75.00874	1.1
80.95725	0.5
81.03479	1.0
83.01393	19.2
83.01897	0.9
83.04998	0.6
85.02957	36.7
86.00105	1.7
86.03331	0.6
87.00891	5.4
87.04456	0.5
89.02451	43.4
90.02802	0.8
93.03477	3.8
95.01402	4.1
97.02953	3.5
97.06614	2.5
98.20679	1.1
99.00885	11.4
99.04541	0.7
101.02451	81.8
101.53500	0.5
102.02809	1.3
103.04044	0.5
109.02984	1.2
111.00891	7.0
111.04543	1.2
113.02457	23.9
113.09761	0.7
114.02804	1.0
115.04022	2.0
115.11324	0.7
119.03499	1.5
121.02988	0.8
125.02457	5.8
127.04044	0.8
129.01956	3.0
131.03513	27.9
132.03889	0.8
133.02992	1.4
134.03790	0.7
135.04539	1.7
137.02437	1.2
143.03510	4.1
149.04568	11.8
149.05725	1.0
151.07617	0.5
155.03552	0.7
159.03014	3.7
161.02554	0.9
161.04568	21.0
162.05008	0.8
173.04535	4.5
176.04088	1.3
179.03497	1.7
185.11815	0.6
187.06038	0.6
191.05632	12.0
191.10985	0.5
192.05960	0.7
215.05707	2.1
233.06606	4.5
242.05164	3.5
242.55418	2.5
246.74281	0.5
259.15588	1.0
264.04547	0.8
264.54950	1.1
265.05209	0.6
277.16568	100.0
278.16956	5.4
291.58856	0.7
294.05475	0.8
311.05695	0.9
312.06186	0.9
321.15619	0.8
393.50586	0.6
400.10754	1.0
409.20792	75.5
410.21179	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	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45185	0.7
53.54712	0.8
55.01884	6.7
57.03450	6.4
58.00590	2.3
59.01382	70.3
61.92924	0.8
61.98822	2.5
69.03464	1.8
69.46924	1.3
69.47329	5.3
71.01386	100.0
72.01735	1.0
72.99318	4.3
73.02955	33.9
75.00875	6.3
78.95920	1.2
83.01388	14.2
85.02958	41.3
87.00871	6.9
89.02448	37.6
90.80469	0.9
93.03463	2.2
95.01390	7.5
96.95991	1.0
96.96941	1.1
97.02940	3.5
99.00891	14.1
99.04546	0.9
101.02450	79.5
102.02725	1.0
111.00874	1.6
113.02456	38.9
114.02729	0.8
115.04044	1.5
119.03516	9.6
123.08921	0.8
125.02446	5.4
129.01933	1.3
131.03488	5.6
133.02942	1.8
134.03633	0.9
137.02441	1.0
137.61833	0.9
141.84692	0.7
141.95503	0.8
143.03479	6.0
149.04533	6.9
150.03175	3.2
159.03029	7.4
161.04568	41.9
163.06059	0.9
165.05606	4.3
165.06779	0.9
173.04538	2.3
176.04610	1.6
179.05652	4.7
184.78973	1.0
191.05644	4.8
195.06599	1.0
205.03447	1.6
215.05408	1.1
233.06590	1.5
245.06950	1.1
245.09377	1.0
247.11870	23.3
248.12115	1.1
263.07590	0.8
263.11380	2.5
277.12924	30.6
278.13330	2.4
297.63168	0.8
331.36234	0.9
331.76450	0.9
349.07648	1.9
349.18729	2.8
385.57266	1.1
407.95432	1.0
409.17111	75.8
410.17502	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	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09915	1.0
53.47895	1.1
55.01869	5.0
57.03443	6.1
58.00592	4.3
59.01384	80.2
61.98814	3.6
69.27599	5.7
69.28022	4.8
71.01388	100.0
72.01768	1.2
72.99311	6.3
73.02567	1.5
73.02954	28.4
75.00877	8.5
78.31416	1.2
78.95933	1.5
81.03475	1.4
83.01378	12.6
85.02958	39.5
87.00896	8.0
89.02451	56.6
93.03450	2.7
95.01388	6.0
96.96010	1.8
96.96976	2.8
97.02966	2.9
97.06577	2.1
98.20695	2.8
99.00874	10.5
99.04520	1.7
101.02448	86.3
102.02773	2.3
109.02902	1.5
111.00909	1.3
111.44529	1.1
113.02460	39.5
115.03958	1.2
115.07603	1.2
118.37997	1.2
119.03511	21.8
125.02409	5.1
131.03546	6.2
133.02971	2.3
135.04492	2.7
143.03487	10.9
149.04578	3.3
159.01862	1.1
159.02998	6.5
159.04117	1.1
161.04561	42.4
162.04890	1.9
171.37042	1.1
173.04530	3.9
178.02704	1.2
179.05605	29.3
182.96304	1.2
191.05641	8.8
210.28275	1.2
217.01370	4.0
221.06731	6.4
236.05580	1.4
247.11887	23.2
277.12997	6.2
278.85608	1.4
349.18512	1.6
409.17105	47.1
410.17542	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.9
57.03451	4.6
58.00581	1.5
59.01383	55.3
66.17265	0.9
66.32445	0.8
69.03447	1.6
69.48236	6.5
71.01385	100.0
72.01733	1.8
72.99300	3.3
73.02950	33.5
75.00862	2.5
81.03441	1.3
83.01392	13.5
84.02147	0.9
85.02956	43.6
86.03262	1.5
87.00880	5.4
89.02448	24.5
93.03474	1.0
95.01396	6.9
95.97078	0.9
97.02953	3.4
99.00896	12.1
101.02450	81.9
102.02806	1.2
111.00866	1.1
113.02456	35.5
118.29901	0.9
119.03515	8.9
125.02459	5.5
129.01915	1.6
131.03474	2.8
143.03497	6.4
149.04593	1.3
159.02992	8.2
161.04565	45.8
162.04820	0.9
173.04523	1.3
176.04645	1.0
179.05614	5.3
191.05626	2.8
206.80383	0.9
221.06792	1.0
225.55603	1.0
247.11868	32.3
248.12230	2.5
263.07794	1.3
277.12936	10.1
305.08817	1.0
355.75702	1.0
409.17163	57.3
410.17349	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	409.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
56.16953	0.3
56.36008	0.3
57.03467	0.3
59.01376	1.3
60.71192	0.4
71.01390	1.2
71.55320	0.5
72.19814	0.3
72.99324	0.6
75.00877	3.9
78.95911	46.1
85.01012	0.3
85.02959	1.1
89.02457	1.1
93.03484	1.6
96.96093	2.9
96.96970	100.0
99.00884	0.5
101.02464	0.6
110.98539	1.4
111.00887	0.4
113.02449	0.5
136.15613	0.3
137.02441	5.5
145.01561	0.4
147.55690	0.3
149.04559	0.4
173.04524	0.8
191.05602	2.1
193.23404	0.3
198.90511	1.0
206.95500	0.8
216.91667	0.6
217.05344	0.7
233.04747	0.6
268.01355	0.3
284.79526	0.4
289.07645	0.5
298.93271	0.3
311.00345	0.3
311.07236	0.7
311.09995	1.1
390.96927	0.9
409.07623	1.5
409.11530	2.0
409.17053	0.9
410.09940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
56.16953	0.3
56.36008	0.3
57.03467	0.3
59.01376	1.3
60.71192	0.4
71.01390	1.2
71.55320	0.5
72.19814	0.3
72.99324	0.6
75.00877	3.9
78.95911	46.1
85.01012	0.3
85.02959	1.1
89.02457	1.1
93.03484	1.6
96.96093	2.9
96.96970	100.0
99.00884	0.5
101.02464	0.6
110.98539	1.4
111.00887	0.4
113.02449	0.5
136.15613	0.3
137.02441	5.5
145.01561	0.4
147.55690	0.3
149.04559	0.4
173.04524	0.8
191.05602	2.1
193.23404	0.3
198.90511	1.0
206.95500	0.8
216.91667	0.6
217.05344	0.7
233.04747	0.6
268.01355	0.3
284.79526	0.4
289.07645	0.5
298.93271	0.3
311.00345	0.3
311.07236	0.7
311.09995	1.1
390.96927	0.9
409.07623	1.5
409.11530	2.0
409.17053	0.9
410.09940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
57.03444	4.3
58.00595	2.5
59.01386	100.0
60.01700	1.3
60.42054	1.2
68.00655	1.2
69.48341	8.6
71.01388	78.2
72.26925	1.2
72.99304	2.8
73.02560	2.3
73.02955	37.6
75.00868	1.9
83.01390	15.0
84.61234	1.3
85.02957	37.0
87.00883	4.2
88.52513	1.3
89.02451	59.3
95.01382	5.4
97.02950	4.1
99.00891	23.1
101.02454	69.1
102.02792	1.3
111.00886	1.6
113.02461	31.3
113.09728	3.4
115.03986	2.7
119.03513	13.2
125.02438	8.1
127.34333	1.5
131.03517	12.1
143.03490	3.2
149.04565	36.3
159.02988	5.4
161.04565	26.3
179.05632	2.4
185.11836	19.5
191.05620	12.4
191.11694	1.3
233.06618	5.0
251.07771	1.9
275.15024	65.1
276.15314	5.2
293.08740	2.2
347.17072	5.5
405.89182	1.3
407.19229	69.3
408.19708	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	407.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18005	0.3
57.03453	11.9
59.01389	2.7
61.98814	0.3
65.72501	0.3
69.87214	0.6
69.87617	1.1
83.01397	0.5
91.38518	0.3
119.05010	0.3
125.02457	100.0
126.02811	3.2
141.31097	0.3
262.23679	0.3
279.45605	0.3
390.25742	0.9
407.20609	1.7
407.29349	1.3
408.29758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77500	1.7
55.95883	1.7
57.03446	4.4
57.77795	1.5
67.01896	36.4
69.31618	15.6
78.85385	1.6
93.03458	9.2
95.05037	93.2
96.05396	2.8
96.46583	1.4
114.71440	1.6
139.07637	3.5
193.79047	1.8
209.67688	1.6
233.03909	1.6
267.26944	15.3
307.01740	1.6
363.32706	100.0
364.33133	14.3
407.18097	2.4
407.31082	35.9
407.35538	10.5
408.31931	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	407.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.4
57.69978	2.0
59.83286	1.9
65.71498	2.0
67.01897	35.8
69.03450	3.2
71.56670	2.9
79.02995	1.8
93.03453	9.5
95.05035	100.0
96.05357	3.0
97.02949	3.5
122.10446	2.0
139.04030	45.7
139.07680	17.4
140.04341	2.5
147.22986	2.0
198.64594	2.1
255.17880	2.9
267.26965	12.2
319.30072	22.8
320.30399	4.8
355.87955	2.0
363.32703	89.8
364.33017	10.1
407.18930	3.8
407.31366	41.4
407.35098	5.4
408.31827	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	408.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14404	4.4
51.12449	3.7
56.01772	4.5
59.01370	10.8
66.49915	4.2
70.19331	8.3
71.01393	3.9
78.95906	100.0
80.96529	7.6
84.82399	3.8
93.03448	10.1
96.96932	4.5
135.04495	5.6
146.27103	4.3
153.98224	3.8
161.02504	4.7
173.04486	9.4
179.03590	7.1
191.05626	18.7
195.31400	4.2
408.20386	5.0
409.21176	14.9
424.71817	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41030	0.6
55.01894	6.2
57.03452	6.4
58.00593	4.7
59.01387	98.8
60.01723	1.6
62.59470	0.6
68.99831	0.8
69.03469	2.8
71.01390	100.0
71.56318	0.8
72.01732	1.4
72.99320	5.2
73.02956	24.4
75.00879	1.0
81.03483	1.0
83.01392	15.0
85.02961	35.8
86.00119	1.1
86.03299	0.8
87.00887	6.1
89.02454	79.2
90.02820	0.9
95.01393	4.0
97.02969	4.0
99.00905	10.1
101.02454	80.3
102.02836	1.2
111.00893	8.3
113.02467	30.4
113.03268	1.5
113.09727	1.9
114.02792	1.1
115.04001	2.3
119.03512	10.5
125.02473	6.4
127.04042	0.8
129.01971	2.1
131.03520	42.6
132.03868	1.3
143.03513	5.8
149.02603	1.4
149.04575	37.9
150.03227	1.3
150.04918	1.3
159.02982	3.8
161.04582	19.0
162.04929	0.8
165.05608	1.9
173.04576	1.0
179.05576	1.8
186.96938	0.6
189.80341	0.6
191.05618	15.4
192.05962	0.8
195.06718	1.0
215.05754	1.3
233.06613	4.8
275.15039	53.3
276.15323	3.4
293.08884	0.7
359.14963	0.9
371.23566	0.8
407.19232	41.7
408.19449	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.23788	1.9
57.03452	5.9
58.00581	4.0
59.01387	88.9
67.76314	1.8
69.03454	3.8
69.59766	2.0
70.31579	3.7
70.31911	3.7
71.01392	78.4
72.99335	3.2
73.02951	38.9
77.54488	1.7
83.01390	17.2
85.02955	31.6
87.00887	4.7
89.02460	33.1
95.01384	6.1
97.02942	3.2
99.00900	10.7
101.02458	68.2
111.00896	2.6
113.02462	23.0
113.09705	2.7
119.03510	4.6
119.05045	3.6
123.79152	2.0
125.02489	4.2
131.03546	10.8
135.04553	2.3
136.36089	2.0
137.02620	2.2
141.43492	2.0
143.03497	4.1
147.81595	2.0
149.04559	9.4
157.16727	1.9
159.02969	5.7
161.04594	22.7
185.11859	19.4
191.05634	12.6
227.12846	2.6
233.06699	3.4
243.05696	2.2
275.15018	83.1
276.15271	5.4
347.17130	4.5
365.18140	7.8
407.19217	100.0
408.19504	8.8
416.76120	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
57.03448	2.5
58.00597	4.3
59.01383	95.7
60.01710	1.1
61.98826	0.6
67.38707	0.5
69.03461	1.6
69.37892	2.8
69.38307	1.2
71.01387	74.8
72.01735	0.9
72.99310	5.2
73.02952	19.5
73.61543	0.4
75.00883	1.6
81.03439	0.8
83.01392	5.3
85.02952	15.2
86.03319	0.5
87.00888	4.8
89.02451	100.0
89.62608	0.5
90.02777	1.4
93.03449	1.3
95.01380	3.6
97.02975	1.9
97.06553	0.6
99.00888	18.0
99.04527	0.9
101.02449	50.8
102.02823	0.8
109.02947	0.5
111.00855	0.7
113.02459	24.5
114.02776	0.7
115.04028	2.0
119.03510	29.0
120.03854	1.1
125.02472	5.1
127.04028	0.6
131.03513	13.9
133.02963	0.5
135.04536	0.6
143.03519	5.6
149.04568	31.8
150.03207	1.1
150.04953	0.8
161.04576	8.1
165.05518	0.8
173.04535	1.5
179.05626	12.8
186.73897	0.5
191.05629	12.5
191.07367	0.7
192.05940	0.8
195.06627	0.7
233.06693	3.8
234.53073	0.5
251.07703	1.3
271.02579	0.8
275.14996	6.1
293.08926	1.3
299.02072	0.7
359.14926	1.1
407.19232	50.8
408.19489	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.5
57.03458	5.2
58.00584	2.4
59.01383	91.5
69.73317	4.7
71.01387	56.8
71.01762	0.8
72.99310	2.2
73.02954	22.5
75.00876	2.0
83.01394	15.9
85.02954	29.1
86.03232	1.0
87.00874	4.5
89.01954	1.0
89.02452	16.9
93.03452	1.9
95.01416	4.2
97.02979	1.1
97.06586	0.9
99.00880	7.6
99.01484	1.3
99.04506	1.5
101.02451	57.1
101.06085	1.0
102.02769	1.3
103.03974	1.8
111.00906	0.9
113.02454	27.7
119.03517	6.9
125.02420	4.0
129.01941	1.2
131.03532	0.9
131.11397	1.0
143.03531	3.9
149.67418	0.9
159.02968	5.8
161.04564	33.6
162.04846	1.1
163.06104	1.1
173.04556	2.4
176.26756	0.8
179.05592	4.4
185.11775	1.1
191.05652	5.0
227.12785	2.1
247.08263	1.6
261.13443	100.0
262.13821	4.8
269.06894	1.0
325.97366	0.8
347.17130	10.5
359.14960	1.2
407.19113	45.6
407.27325	5.9
408.19452	5.0
408.26648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03456	1.2
59.01384	100.0
60.01717	0.7
69.40311	5.0
71.01379	11.4
73.02950	4.5
83.01407	1.7
85.02959	5.2
87.67908	0.6
89.02477	2.4
99.00895	1.8
101.02452	9.5
107.60551	0.8
113.02444	4.1
115.04015	1.4
119.03554	0.9
158.15872	0.7
159.03059	1.5
161.04564	12.9
187.02774	0.7
187.15622	0.7
192.92123	0.7
296.93185	0.7
347.17166	15.8
348.17691	0.9
407.19260	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	407.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.00624	2.3
59.01385	96.2
61.98823	7.1
63.90086	1.6
70.87009	3.8
71.01070	2.2
71.01393	25.3
71.05009	2.3
72.99316	1.8
73.02926	6.1
76.26977	1.7
78.95897	2.6
81.03469	1.6
83.01392	4.5
83.05047	2.7
85.02966	11.2
85.06573	2.2
87.00872	2.6
89.02440	16.9
89.10313	1.5
93.03457	1.8
95.01395	2.3
95.05081	2.4
99.00877	4.2
99.04529	69.7
100.04851	2.8
101.02449	40.9
101.06077	7.9
107.64914	1.5
111.90089	1.5
113.02457	15.3
113.06097	1.8
119.03497	3.3
125.02446	23.0
130.08701	1.8
131.07166	22.7
143.03506	6.9
151.00438	2.0
155.03531	1.8
161.04550	12.5
161.08203	19.7
173.04504	2.1
179.05626	3.4
180.46248	1.5
183.09286	5.5
185.02196	6.1
191.05545	5.9
227.08249	4.4
243.03030	1.9
246.13341	1.9
263.08569	3.6
263.11353	56.9
264.11694	4.5
305.12357	3.8
345.15445	3.0
347.17050	8.6
407.14688	14.2
407.19803	5.3
408.18765	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	407.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68427	1.2
59.01388	32.5
61.98823	1.6
69.51944	4.7
69.52364	5.0
71.01387	16.8
72.99319	3.1
78.95910	46.9
78.97201	1.3
83.10001	1.4
85.02952	3.9
89.02446	19.3
96.96018	36.8
96.96972	88.4
99.04549	1.3
101.02451	13.7
102.53460	1.4
106.33295	1.4
109.02982	1.3
111.04507	1.6
113.02481	7.5
118.98107	1.6
119.03496	8.8
128.91650	1.3
129.05598	9.6
147.06618	3.3
167.99234	1.5
191.05640	3.4
242.79881	1.4
309.11920	100.0
310.12311	7.2
407.10193	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	407.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88098	1.4
59.01109	2.9
59.01384	34.9
65.49682	1.3
71.01395	13.8
71.55283	1.3
72.43936	1.5
72.99331	1.7
73.02945	2.1
76.23365	1.3
78.95911	59.9
80.01594	1.3
83.01410	1.6
85.02982	4.3
89.02451	17.5
96.96037	31.0
96.96968	100.0
101.02444	15.2
101.06093	1.8
104.89353	1.4
109.02924	1.7
111.33716	1.4
113.02477	4.9
119.03549	7.4
121.26833	1.5
129.05566	6.7
137.64485	1.7
147.06631	9.9
173.04518	1.7
191.05588	3.1
217.05200	1.8
286.80402	1.8
287.51114	1.6
309.11935	98.6
310.12320	9.1
407.10196	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	407.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.00624	2.3
59.01385	96.2
61.98823	7.1
63.90086	1.6
70.87009	3.8
71.01070	2.2
71.01393	25.3
71.05009	2.3
72.99316	1.8
73.02926	6.1
76.26977	1.7
78.95897	2.6
81.03469	1.6
83.01392	4.5
83.05047	2.7
85.02966	11.2
85.06573	2.2
87.00872	2.6
89.02440	16.9
89.10313	1.5
93.03457	1.8
95.01395	2.3
95.05081	2.4
99.00877	4.2
99.04529	69.7
100.04851	2.8
101.02449	40.9
101.06077	7.9
107.64914	1.5
111.90089	1.5
113.02457	15.3
113.06097	1.8
119.03497	3.3
125.02446	23.0
130.08701	1.8
131.07166	22.7
143.03506	6.9
151.00438	2.0
155.03531	1.8
161.04550	12.5
161.08203	19.7
173.04504	2.1
179.05626	3.4
180.46248	1.5
183.09286	5.5
185.02196	6.1
191.05545	5.9
227.08249	4.4
243.03030	1.9
246.13341	1.9
263.08569	3.6
263.11353	56.9
264.11694	4.5
305.12357	3.8
345.15445	3.0
347.17050	8.6
407.14688	14.2
407.19803	5.3
408.18765	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	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.7
63.25198	6.8
65.52589	6.5
96.96021	74.7
302.66324	6.9
307.18939	7.2
343.26450	10.1
344.26453	7.3
357.28049	16.5
361.23654	11.3
405.26044	34.2
405.30807	100.0
406.30475	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	406.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01389	18.6
61.98838	100.0
65.00954	0.3
65.55206	0.4
71.01406	3.0
71.01762	0.5
73.02962	1.2
73.51118	0.4
75.96204	0.4
80.23547	0.4
80.29122	0.4
83.01418	0.4
85.02960	1.5
87.00875	0.6
89.02467	1.6
89.36272	0.3
93.03474	0.4
98.19845	0.6
99.04523	0.7
101.02460	3.2
111.25702	0.4
113.02477	1.4
115.07687	1.1
119.03536	0.7
119.05063	0.5
125.02473	0.4
137.06143	1.3
159.03023	0.4
161.04575	2.6
164.53355	0.4
175.02521	0.5
181.05104	6.5
185.02199	0.5
185.11790	0.5
343.10291	3.0
347.17038	2.6
406.18094	0.6
407.19510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10372	0.2
54.50510	0.1
59.01384	1.5
61.98840	0.2
70.39541	0.5
71.01389	0.9
72.10397	0.1
73.02934	0.2
85.02966	0.4
87.79981	0.1
89.02447	0.3
93.03478	0.3
95.01437	0.2
97.41550	0.2
101.02466	0.5
108.02185	0.1
109.03003	0.2
112.10006	0.2
113.02425	0.2
120.04548	0.3
136.07693	0.6
142.92375	0.1
149.02438	1.1
149.06142	0.2
161.04636	0.2
173.04552	0.4
185.11845	0.2
188.10883	0.2
191.05673	0.4
201.07742	0.2
214.05057	0.2
216.10252	0.5
217.08713	0.9
228.06679	2.2
229.07445	18.0
230.07777	1.3
244.09793	100.0
245.10133	8.1
287.68265	0.2
406.15164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.59172	0.6
52.63247	0.6
55.01889	0.8
57.03453	14.6
58.00594	3.3
59.01384	100.0
61.98858	0.6
65.53500	0.5
69.03455	0.6
69.35348	4.8
71.01389	61.6
72.99314	4.8
73.02943	1.8
77.78430	0.6
83.01407	1.3
83.05029	1.1
85.02957	9.5
87.00881	2.6
89.02452	84.9
89.88471	0.6
95.01379	3.8
101.02450	28.0
102.02766	0.8
105.34608	0.5
112.05297	2.1
113.02457	28.3
119.03515	30.5
120.03773	0.6
125.09741	0.9
131.03519	1.7
131.08618	0.9
133.79932	0.5
134.07378	4.1
137.09724	1.9
139.11298	1.0
143.03520	5.1
143.88742	0.6
144.02719	0.6
149.04524	2.0
149.09731	38.8
150.10045	2.0
161.04553	4.7
167.10788	70.0
168.11142	4.5
179.05618	11.2
191.05629	0.9
207.13873	1.8
225.14973	6.6
226.85103	0.6
231.02992	0.8
243.15923	3.4
284.67480	0.6
405.21478	8.8
406.21848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.3
60.99656	6.9
61.98843	9.6
69.03461	7.0
69.53214	52.4
71.37744	6.3
74.39439	7.8
96.96025	79.1
97.06580	8.8
98.20696	7.9
115.42716	7.2
174.68524	6.2
361.23477	16.6
361.27438	11.0
405.18137	11.3
405.22195	13.5
405.26370	44.0
405.30954	100.0
406.31525	13.6
412.12045	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.67432	0.4
55.01885	1.4
55.05215	0.4
57.03456	16.5
58.00602	4.0
59.01383	100.0
60.01713	1.1
61.98840	0.7
68.99796	0.5
69.03455	0.6
69.31089	3.2
71.01385	67.7
71.05026	0.5
72.01728	0.9
72.99304	4.3
73.02956	4.4
75.00895	0.6
81.03457	0.8
83.01385	2.7
83.05041	1.5
85.02956	14.5
87.00888	3.3
87.04536	0.9
89.02451	78.5
90.02795	1.3
93.03471	0.6
95.01389	4.1
97.02925	0.6
97.06621	0.9
99.00900	1.5
99.04531	1.9
101.02448	35.1
102.02803	1.2
103.16414	0.4
107.52866	0.4
109.06601	1.1
109.53584	0.4
111.04508	0.5
112.05318	2.6
113.02458	27.5
113.06123	0.4
114.02775	0.8
119.03510	31.2
120.03828	0.6
120.05811	0.8
122.06125	0.4
123.08181	0.5
125.02454	0.7
125.06055	0.5
125.09739	0.4
131.03487	2.7
131.08711	0.6
134.07384	4.4
135.08209	3.5
137.09737	3.3
139.07660	6.1
139.11314	0.8
143.03511	4.3
149.04573	2.8
149.09729	46.8
150.10114	2.1
152.04787	0.6
153.09222	29.7
154.09544	1.0
159.03017	1.2
159.06624	0.8
161.04567	9.0
167.10782	78.0
168.11136	4.1
171.10294	1.2
173.04642	0.5
175.05132	0.5
179.05612	10.6
203.61496	0.5
207.13922	2.3
209.11893	3.3
213.69891	0.4
225.14938	5.1
233.10213	0.6
243.16023	15.6
244.16403	1.1
255.08047	0.4
260.67911	0.5
261.09674	1.1
265.81601	0.4
327.56894	0.4
363.34271	0.4
367.16180	0.4
405.13214	0.5
405.21533	5.4
406.21756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74838	11.2
59.01387	100.0
59.23302	10.2
61.86957	12.1
69.57798	55.3
71.01379	47.7
75.00864	26.2
85.02960	25.9
87.93442	11.6
89.02467	22.3
101.02451	28.6
113.02438	22.5
161.04619	15.1
173.04588	17.8
199.49286	11.2
293.86935	12.0
298.03629	11.6
324.56354	13.3
404.71317	34.4
405.16989	22.8
405.21542	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00889	12.1
54.77832	11.6
59.01387	100.0
66.35334	14.0
69.39182	89.6
69.39597	19.2
71.01378	51.0
75.00882	31.5
85.02937	18.3
89.02468	17.9
101.02441	29.7
116.94812	12.0
136.16435	14.5
139.22289	12.6
263.20615	14.4
404.71436	36.7
405.16721	28.4
405.21292	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	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00889	12.1
54.77832	11.6
59.01387	100.0
66.35334	14.0
69.39182	89.6
69.39597	19.2
71.01378	51.0
75.00882	31.5
85.02937	18.3
89.02468	17.9
101.02441	29.7
116.94812	12.0
136.16435	14.5
139.22289	12.6
263.20615	14.4
404.71436	36.7
405.16721	28.4
405.21292	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03458	0.7
58.00593	1.0
59.01386	37.0
61.63224	0.3
68.99264	0.3
69.24716	2.9
71.01390	19.7
72.01716	0.6
72.99313	1.4
73.02960	4.2
83.01402	0.8
83.45840	0.3
85.02958	4.1
87.00884	0.7
89.02455	19.2
95.01393	1.0
95.05046	0.8
99.04531	1.4
99.06618	0.3
101.01799	0.6
101.02454	9.3
101.03117	0.6
103.39548	0.3
104.36646	0.3
113.02468	5.5
119.03512	6.3
120.03819	0.3
125.02462	0.3
130.16072	0.3
131.03535	0.6
143.03482	0.7
149.04570	0.5
161.04633	0.8
161.09785	0.3
163.11325	3.9
179.05635	1.1
181.12354	27.1
182.12706	1.7
182.35968	0.4
191.05609	0.4
195.06586	0.4
207.10248	1.0
225.11336	100.0
226.11671	7.8
243.12415	1.6
405.17654	44.4
406.17993	5.9
420.45001	0.3
421.84116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1558
Annotation	Icariol A1
Peak:m/z	Relative Intensity
57.03453	3.2
59.01389	21.6
61.98822	5.5
63.11118	1.5
63.72984	1.4
65.00351	1.6
67.01903	1.8
68.99823	12.7
69.03444	1.5
71.01384	12.7
74.93600	1.4
78.95858	1.4
85.02972	4.9
89.02435	9.3
93.03468	24.8
95.01383	3.9
97.02931	1.8
98.20691	4.0
101.02431	7.2
108.02164	3.6
109.02950	3.3
113.02473	4.3
119.03512	3.5
121.02972	10.9
123.00909	15.3
124.01668	2.8
125.01821	1.5
125.02475	15.4
133.03015	2.0
135.00882	2.7
135.04514	3.2
137.02470	10.5
138.03262	28.3
139.00385	2.5
139.04045	3.7
143.50031	1.6
148.01595	1.9
149.02478	5.1
151.00407	3.4
151.04028	5.7
152.01140	2.8
153.01970	8.8
153.05591	36.4
154.05963	2.4
160.01695	2.4
161.02431	1.7
161.04573	1.5
162.03259	3.9
163.00371	4.2
163.03983	2.2
165.01950	17.3
166.06360	29.4
168.04291	28.9
173.04524	4.8
175.00404	7.6
175.03970	1.5
176.01160	24.4
177.01962	10.8
177.05640	3.8
178.02762	13.3
179.03438	6.4
180.00650	3.9
180.04243	4.1
181.08730	15.7
191.03531	22.6
191.05487	3.2
192.04308	26.8
193.01433	41.1
193.05061	12.2
194.02029	3.2
195.02939	2.4
195.06679	2.3
199.07652	8.5
199.13567	1.9
207.06622	36.9
208.03796	60.9
208.06793	2.9
209.04491	11.3
221.08322	1.9
223.06123	71.0
224.06648	6.6
224.08965	1.4
225.14961	1.6
230.25328	1.8
233.08221	2.1
238.04843	2.0
242.05840	2.2
243.06621	14.1
251.09198	2.5
345.09705	1.7
360.11990	3.1
375.14499	19.8
387.27484	2.7
390.12860	1.5
405.15857	100.0
405.21149	13.8
405.28604	11.3
406.16104	11.1
406.29010	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	405.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98825	0.6
71.55865	0.4
71.66315	0.5
75.28625	0.4
75.45055	0.4
78.95924	1.2
79.55571	0.4
79.95740	1.8
96.96021	100.0
97.95982	0.4
99.92588	1.4
100.92574	0.8
118.89937	0.4
119.90024	0.4
120.89756	0.5
239.20175	0.9
281.84116	0.4
307.18967	4.8
361.23599	0.9
368.12952	1.2
369.13211	2.1
405.14359	0.6
405.22159	0.9
405.26489	1.0
405.30997	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.2
59.01373	3.7
61.98837	3.8
64.16482	0.9
69.65214	6.2
71.01376	5.4
72.88991	1.1
73.02952	1.0
78.30613	1.0
85.02958	1.1
87.00880	5.8
88.32568	1.0
89.02460	1.7
90.40247	1.0
96.64030	0.9
101.02454	2.8
108.88199	0.9
111.00906	1.6
113.02441	1.7
136.01691	2.5
137.02408	2.1
149.02466	2.5
151.03999	2.5
161.04520	2.8
164.01135	4.2
165.01933	28.0
177.01949	12.0
178.02586	1.2
179.03511	57.6
180.04286	33.8
181.04662	1.7
192.04317	4.7
194.05858	22.4
195.06638	100.0
196.07008	5.9
210.05313	2.1
225.07713	22.0
237.07666	1.1
357.11948	5.8
407.75992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	38.7
59.01801	14.5
61.98834	34.6
66.85092	12.9
68.58189	12.4
71.55339	23.3
89.07337	12.6
96.96024	79.0
154.54222	14.0
163.11292	16.6
177.94180	14.8
211.27943	16.5
242.04774	14.5
256.54059	15.9
343.05670	14.0
359.25754	17.1
359.29639	15.5
378.97351	13.7
403.28757	100.0
404.29303	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	403.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67878	10.2
57.03467	17.3
59.01388	35.0
61.98811	16.3
69.39207	100.0
87.00865	15.7
91.88696	10.8
96.96037	12.3
98.19906	21.5
137.02478	10.9
250.65939	15.3
252.80292	11.5
261.06693	12.4
281.91730	11.7
297.54340	11.6
325.76697	12.3
330.05533	21.3
403.20428	17.5
403.24478	35.6
403.29068	67.7
404.28784	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82637	0.7
59.01385	100.0
60.01731	1.0
61.98822	1.0
70.59093	1.5
88.14835	0.7
93.07123	2.0
129.45799	0.6
164.02141	0.7
184.55855	0.6
210.38025	0.6
212.69641	0.7
213.18661	5.2
343.28824	2.1
374.14478	0.7
403.24750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.70875	0.4
71.55180	0.6
76.85030	0.4
109.31759	0.4
130.48521	0.4
180.99178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.24645	0.2
57.03446	0.4
58.00584	0.2
59.01385	3.9
61.98828	0.7
65.00329	0.8
65.03972	2.8
65.72865	0.2
67.01900	1.9
68.99820	0.9
69.36882	1.7
71.01385	3.6
72.01752	0.3
72.99312	0.3
73.02953	0.5
75.00869	2.1
80.02667	0.5
83.01416	0.4
85.02956	2.0
87.00893	0.6
87.57617	0.2
89.02451	2.0
91.01904	41.2
92.02230	1.3
93.03458	0.7
94.81081	0.2
95.01384	0.5
101.02464	1.9
101.74787	0.2
107.05051	2.0
108.02176	3.6
109.02961	27.6
110.03300	0.8
111.00874	0.3
113.02467	1.8
119.03523	0.7
121.02954	1.7
123.04512	0.5
123.51493	0.2
127.51609	0.2
131.05064	0.4
133.02980	1.3
135.00897	100.0
136.01208	3.9
137.02452	4.5
138.03304	0.2
145.02957	0.3
147.04572	0.5
148.01694	0.5
149.02429	1.4
151.04012	0.2
153.01949	82.7
154.02290	3.2
159.04512	0.2
160.57936	0.2
161.02470	0.9
161.04457	0.2
163.03879	0.3
173.04561	0.3
175.04004	3.2
175.07771	0.2
176.04250	0.3
177.01953	3.0
178.02728	0.3
179.03534	0.4
189.01961	0.5
191.05620	0.2
193.05023	0.4
195.03014	0.4
197.06084	1.2
199.07643	0.5
225.05576	0.7
243.06631	12.3
244.06943	1.0
253.06984	0.2
267.06638	0.7
297.06165	13.9
298.06561	1.0
373.06937	0.2
404.71426	2.7
405.11893	9.8
405.20404	1.5
406.12201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
59.01370	7.0
61.98843	6.7
70.87581	1.8
70.87918	3.2
71.01363	3.1
71.05043	1.5
72.99301	1.6
73.02941	1.8
85.02936	2.6
95.05035	19.3
96.00286	1.3
97.06599	100.0
98.06956	3.6
111.08179	2.1
113.02466	2.2
115.07673	15.4
117.53071	1.4
123.08153	5.1
125.09740	82.7
126.10065	4.1
133.02983	10.6
134.03711	5.5
135.04556	3.2
137.02496	3.5
139.04018	2.1
139.50584	1.2
141.05534	3.3
143.10718	1.6
159.06651	75.5
160.06947	3.2
169.08667	3.1
171.53236	1.4
177.01950	3.9
178.02722	10.8
179.03410	1.5
187.09789	76.5
188.10126	3.0
233.10307	16.4
261.13458	17.3
270.35837	1.6
306.07455	19.3
307.07776	2.5
403.19702	94.6
404.20187	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.5
59.01385	100.0
61.98826	11.9
68.33262	1.6
69.63535	9.4
71.01385	35.8
72.99312	2.5
73.02962	5.8
77.63623	1.6
78.95901	2.5
82.14803	1.3
83.01423	3.8
83.05032	2.9
85.02952	10.9
86.09609	1.5
87.00883	7.0
89.02452	27.5
93.03481	4.5
95.01372	2.1
95.05046	2.6
97.06607	1.7
98.19931	2.9
99.04512	2.7
101.02460	17.6
109.02940	2.5
110.14070	1.6
113.02451	11.1
119.03518	11.8
119.08611	1.8
121.06606	2.0
122.06093	2.5
125.02477	1.6
132.04573	6.6
135.08275	1.6
137.09705	4.3
143.03528	3.4
148.04102	3.4
148.05298	2.2
149.04515	1.9
158.02458	4.3
159.04559	2.1
159.11746	1.9
160.04021	3.0
161.04590	5.1
161.09665	5.5
162.05707	4.0
163.07632	3.6
165.52905	1.7
167.10687	1.6
173.04585	6.3
173.06007	2.7
176.03572	3.3
179.05632	3.6
179.10777	13.4
181.08748	5.9
187.07666	2.4
190.05087	8.2
191.05600	4.4
197.11852	33.7
198.12167	2.2
223.09798	40.2
223.13387	6.0
224.09650	3.6
229.14612	2.0
231.10306	3.7
234.04079	3.1
239.11917	6.0
240.10271	1.6
241.10840	46.4
242.11192	2.0
253.06190	6.1
265.09912	1.9
268.08453	2.3
275.09317	2.8
283.11273	26.7
284.11389	2.1
295.87292	1.5
309.08850	4.8
313.12857	3.3
327.09949	33.9
328.10016	2.6
343.14059	23.5
344.14575	2.4
350.57056	1.5
352.03860	1.4
359.17139	6.4
371.08835	17.7
372.09415	1.8
403.11414	6.2
403.15475	9.2
403.20016	3.2
403.23685	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03446	5.5
59.01385	100.0
61.98826	11.9
68.33262	1.6
69.63535	9.4
71.01385	35.8
72.99312	2.5
73.02962	5.8
77.63623	1.6
78.95901	2.5
82.14803	1.3
83.01423	3.8
83.05032	2.9
85.02952	10.9
86.09609	1.5
87.00883	7.0
89.02452	27.5
93.03481	4.5
95.01372	2.1
95.05046	2.6
97.06607	1.7
98.19931	2.9
99.04512	2.7
101.02460	17.6
109.02940	2.5
110.14070	1.6
113.02451	11.1
119.03518	11.8
119.08611	1.8
121.06606	2.0
122.06093	2.5
125.02477	1.6
132.04573	6.6
135.08275	1.6
137.09705	4.3
143.03528	3.4
148.04102	3.4
148.05298	2.2
149.04515	1.9
158.02458	4.3
159.04559	2.1
159.11746	1.9
160.04021	3.0
161.04590	5.1
161.09665	5.5
162.05707	4.0
163.07632	3.6
165.52905	1.7
167.10687	1.6
173.04585	6.3
173.06007	2.7
176.03572	3.3
179.05632	3.6
179.10777	13.4
181.08748	5.9
187.07666	2.4
190.05087	8.2
191.05600	4.4
197.11852	33.7
198.12167	2.2
223.09798	40.2
223.13387	6.0
224.09650	3.6
229.14612	2.0
231.10306	3.7
234.04079	3.1
239.11917	6.0
240.10271	1.6
241.10840	46.4
242.11192	2.0
253.06190	6.1
265.09912	1.9
268.08453	2.3
275.09317	2.8
283.11273	26.7
284.11389	2.1
295.87292	1.5
309.08850	4.8
313.12857	3.3
327.09949	33.9
328.10016	2.6
343.14059	23.5
344.14575	2.4
350.57056	1.5
352.03860	1.4
359.17139	6.4
371.08835	17.7
372.09415	1.8
403.11414	6.2
403.15475	9.2
403.20016	3.2
403.23685	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.5
59.01385	100.0
61.98826	11.9
68.33262	1.6
69.63535	9.4
71.01385	35.8
72.99312	2.5
73.02962	5.8
77.63623	1.6
78.95901	2.5
82.14803	1.3
83.01423	3.8
83.05032	2.9
85.02952	10.9
86.09609	1.5
87.00883	7.0
89.02452	27.5
93.03481	4.5
95.01372	2.1
95.05046	2.6
97.06607	1.7
98.19931	2.9
99.04512	2.7
101.02460	17.6
109.02940	2.5
110.14070	1.6
113.02451	11.1
119.03518	11.8
119.08611	1.8
121.06606	2.0
122.06093	2.5
125.02477	1.6
132.04573	6.6
135.08275	1.6
137.09705	4.3
143.03528	3.4
148.04102	3.4
148.05298	2.2
149.04515	1.9
158.02458	4.3
159.04559	2.1
159.11746	1.9
160.04021	3.0
161.04590	5.1
161.09665	5.5
162.05707	4.0
163.07632	3.6
165.52905	1.7
167.10687	1.6
173.04585	6.3
173.06007	2.7
176.03572	3.3
179.05632	3.6
179.10777	13.4
181.08748	5.9
187.07666	2.4
190.05087	8.2
191.05600	4.4
197.11852	33.7
198.12167	2.2
223.09798	40.2
223.13387	6.0
224.09650	3.6
229.14612	2.0
231.10306	3.7
234.04079	3.1
239.11917	6.0
240.10271	1.6
241.10840	46.4
242.11192	2.0
253.06190	6.1
265.09912	1.9
268.08453	2.3
275.09317	2.8
283.11273	26.7
284.11389	2.1
295.87292	1.5
309.08850	4.8
313.12857	3.3
327.09949	33.9
328.10016	2.6
343.14059	23.5
344.14575	2.4
350.57056	1.5
352.03860	1.4
359.17139	6.4
371.08835	17.7
372.09415	1.8
403.11414	6.2
403.15475	9.2
403.20016	3.2
403.23685	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
58.00586	1.7
59.01385	27.7
61.98837	5.7
63.87403	0.9
67.01897	1.4
71.01396	16.2
71.25088	1.5
72.99319	2.1
73.02911	1.4
74.28201	0.9
78.95905	2.7
83.01366	2.8
85.02937	3.3
87.00839	1.6
89.02452	16.0
93.03461	1.6
95.01374	3.9
96.96026	2.1
96.96965	1.9
99.00852	1.1
101.02442	11.4
108.02160	3.0
109.02956	4.5
111.00867	2.8
113.02444	6.5
119.03508	6.7
121.02937	1.9
123.00884	13.4
125.02480	4.4
127.00394	2.8
136.00374	0.9
136.98763	2.0
137.02420	5.0
138.03233	7.7
139.00383	9.2
148.05278	1.6
149.02409	1.0
149.09741	1.0
152.01167	3.5
152.04765	1.4
153.05553	3.6
160.01646	1.3
162.03239	4.6
163.04031	6.5
165.01892	11.0
166.02499	1.2
167.03497	6.7
173.04544	1.0
179.03456	2.4
180.00581	1.0
180.04300	5.2
191.05632	1.8
192.99814	1.6
193.01430	21.7
194.02095	3.9
195.06557	2.1
207.02928	3.7
208.03781	35.9
209.04115	2.8
219.06561	1.1
223.06126	100.0
224.06418	5.4
229.01151	3.1
251.05748	1.2
349.46741	0.8
371.09454	1.9
383.10715	0.9
403.06311	8.6
403.12463	7.8
403.87680	0.9
404.07095	1.1
404.12534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75581	10.9
57.03454	11.9
59.01389	100.0
61.34118	10.3
61.98832	33.1
70.40500	9.9
71.01389	77.9
71.07349	15.7
73.02965	14.0
78.95912	13.4
85.02952	30.1
87.00883	18.5
89.02454	75.6
96.44794	11.2
96.96015	13.4
99.04552	18.5
101.02450	40.5
109.02922	13.8
113.02422	13.7
117.97372	14.6
119.03519	19.5
123.00813	13.1
135.24588	9.6
139.07672	13.4
143.04698	13.3
161.04597	22.7
219.06639	16.3
235.11890	13.1
256.47159	12.7
267.66348	10.4
359.16928	33.1
367.15897	15.7
403.06088	14.3
403.14008	31.6
403.19434	18.8
403.96210	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23292	1.4
51.89959	1.1
55.01883	2.4
58.00597	3.6
59.01383	79.1
61.98842	6.2
69.03457	6.8
69.29826	6.5
69.30247	4.3
71.01390	77.5
72.99318	2.3
73.02947	13.1
75.00889	4.2
78.95960	1.5
79.12086	1.2
81.03463	4.2
83.01401	5.6
85.02971	11.0
87.00874	3.7
89.02454	100.0
90.02827	1.3
95.01381	3.8
96.95993	2.0
97.02960	9.9
99.00893	20.1
99.04491	2.9
101.02462	17.1
108.02186	13.8
109.02972	25.6
111.00888	1.9
113.02466	8.5
115.04021	9.8
119.03513	2.3
125.02460	49.3
126.02777	1.7
127.04073	1.4
131.03529	10.7
143.03488	5.1
149.04576	15.3
161.04559	5.3
173.04605	2.1
183.77185	1.2
191.05585	10.7
224.04926	1.4
233.06670	39.7
234.07043	2.0
271.08090	1.8
293.08804	42.9
294.09091	2.2
403.12668	6.9
404.12515	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25369	0.9
59.01385	4.8
61.98831	2.1
64.97659	0.8
69.38279	6.0
69.38691	1.7
71.01376	1.0
80.05066	2.1
85.02956	1.0
89.02436	1.4
93.03465	1.1
95.05047	0.9
98.50027	1.0
104.05068	2.0
116.05048	1.9
120.04546	1.2
120.64304	0.9
122.06148	8.1
124.07708	2.0
130.03050	4.9
132.04572	21.9
146.02446	0.9
146.50232	0.8
147.03291	4.6
148.04048	1.7
150.05629	4.0
152.77580	0.9
158.02483	12.2
160.04059	12.5
161.04779	1.7
162.05615	5.6
174.05547	1.9
176.03551	12.8
176.07135	3.3
177.03914	1.2
180.08171	0.9
182.06000	1.2
183.09248	1.3
184.06305	1.0
184.07719	1.9
190.05118	20.3
191.05675	5.1
196.11368	2.1
198.04317	2.0
199.08878	1.3
204.02986	1.0
209.07234	3.0
211.06584	1.5
211.08755	1.4
211.12381	5.3
212.05879	3.4
212.10783	3.1
213.06781	2.1
215.11913	6.0
220.02510	2.7
223.04854	1.3
223.08731	5.4
224.07298	1.5
224.09491	16.5
225.06282	1.5
225.08011	2.6
225.09940	1.6
226.07561	4.0
227.08310	6.4
227.12080	1.0
228.08931	1.6
234.04102	3.5
235.04884	1.7
238.08905	1.8
239.04572	2.2
239.08299	3.0
239.11919	30.7
240.05191	1.3
240.10529	8.3
240.12427	2.0
241.09810	12.1
250.07404	1.9
252.05359	2.0
253.06201	29.2
253.09921	1.5
254.03523	0.8
254.06607	4.5
255.07718	3.8
255.11414	8.2
256.08514	2.9
264.65942	1.0
265.09763	2.9
266.07010	1.3
267.07742	11.6
268.08499	13.8
269.08774	1.7
281.09409	8.0
283.10895	77.7
284.11276	7.2
287.10327	1.8
309.08807	20.0
310.09070	2.2
315.13498	2.8
327.09888	100.0
328.10144	9.9
341.11414	5.4
353.07791	4.2
359.12570	4.4
371.08841	82.8
372.09137	8.5
403.11432	57.2
403.27213	1.2
404.11716	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	403.1247
Annotation	Theviridoside
Peak:m/z	Relative Intensity
59.01383	11.0
61.52501	1.0
61.98838	1.3
63.52333	1.1
64.50577	1.0
68.99818	1.1
69.42699	7.2
71.01386	11.6
73.02953	2.0
83.01388	1.5
85.02948	3.5
87.00876	3.3
89.02444	4.5
95.01392	3.4
99.00942	1.3
101.02445	5.1
109.02946	4.4
111.67979	1.2
113.02449	2.9
121.02969	3.3
123.00911	10.3
124.01652	2.9
125.02460	8.8
127.00391	1.2
136.98900	1.5
137.02484	5.8
138.03236	16.5
139.00409	5.6
139.04042	11.7
149.02516	1.7
151.04045	1.5
152.04779	3.7
153.01997	6.0
153.05585	9.3
154.02798	2.8
161.04556	1.5
163.00348	2.3
165.01939	21.8
166.02432	2.2
175.00374	2.4
177.01883	2.1
178.02792	1.7
179.03484	4.4
180.00664	22.7
180.04288	17.9
181.01482	6.7
181.04727	1.4
182.02240	2.9
193.01421	23.2
193.05031	1.6
194.02112	2.7
195.02992	58.6
195.06584	6.1
196.03734	12.8
197.04468	4.2
197.82811	1.0
207.02956	3.2
208.01924	1.9
208.03760	22.9
209.04373	3.3
211.06133	18.0
223.06123	85.8
224.06473	4.7
225.03998	4.5
231.54308	1.1
243.51410	1.1
343.06711	1.5
358.09125	8.6
373.11395	100.0
374.11612	9.5
385.11389	20.6
386.11829	1.3
403.12463	36.7
404.12881	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	401.3274
Annotation	Di-tert-dodecyl disulfide
Peak:m/z	Relative Intensity
55.40949	1.3
62.87326	1.3
64.72396	1.4
69.18913	7.4
69.19341	5.7
72.99318	14.8
73.02949	6.5
75.00880	81.2
76.35947	1.2
79.77522	1.4
98.20615	2.4
126.70184	1.3
129.57361	1.2
401.32767	100.0
402.28162	1.9
402.33084	14.1
408.90311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.9
61.56596	1.0
61.98833	2.7
64.99263	1.0
65.00317	1.1
69.31944	3.7
69.32367	5.1
71.01382	4.5
73.02943	2.0
78.79034	1.2
85.02911	1.1
87.00907	1.6
89.02454	4.1
91.87178	1.0
101.02451	3.2
108.04547	1.7
113.02445	2.0
116.05093	1.6
119.03522	2.4
120.04510	1.7
122.06111	7.1
123.00917	2.2
123.04644	1.0
130.02975	3.3
131.03831	1.6
132.04556	13.4
133.04912	1.1
134.91856	1.1
136.04025	1.4
137.02457	1.7
137.09718	1.3
139.00395	5.1
139.04013	1.9
146.02522	2.0
147.03246	3.6
147.04500	4.3
147.88402	1.0
148.04065	2.2
148.05243	1.1
150.05612	2.9
151.03972	2.3
158.02547	7.9
159.04544	1.0
160.04039	10.8
161.04744	2.5
162.05600	4.6
166.19922	1.0
174.05560	2.1
175.02753	1.5
176.01222	1.6
176.03545	11.3
179.10741	2.6
183.09303	1.3
188.04822	2.6
190.05104	15.4
191.03633	1.5
191.05643	2.9
197.11868	5.2
204.02983	4.8
209.07446	1.4
211.12381	4.4
212.05792	1.4
212.10767	1.9
213.06705	1.3
215.11804	3.0
220.02539	4.0
220.06174	2.0
223.04637	1.5
223.08752	1.9
224.07396	1.9
224.09488	8.9
225.08051	2.2
225.09949	1.4
226.07678	2.4
227.08224	4.4
234.04031	3.7
235.04828	1.4
238.08890	1.2
239.08138	3.4
239.11903	19.0
240.10451	5.2
240.12332	1.4
241.10893	8.0
242.11272	1.4
243.11429	2.5
250.07507	1.4
253.06204	17.1
254.06604	2.4
255.07819	4.3
255.11380	3.8
256.09821	1.1
265.09930	2.4
266.08020	1.6
267.07697	4.3
268.08582	8.8
269.09222	2.4
271.07263	1.4
281.09387	5.1
283.10886	50.3
284.11163	4.7
293.05344	1.9
294.06403	1.8
297.05161	1.5
305.88248	1.1
309.08777	15.7
310.09015	2.5
313.07117	1.6
327.09872	100.0
328.09897	14.8
329.09705	1.6
341.11420	3.0
343.11517	17.2
344.12149	2.1
353.07620	3.3
359.12372	4.2
371.08832	57.9
372.09109	7.4
373.09482	2.1
373.12912	6.1
385.10269	2.9
388.11490	2.4
403.11548	21.7
403.23526	1.4
404.14587	2.8
424.21063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09056	1.2
59.01369	5.8
59.90136	1.2
62.92560	1.1
69.29229	11.1
69.29620	2.6
71.01347	1.3
80.05059	3.3
93.60568	1.1
97.54485	1.4
100.64998	1.2
108.04565	1.9
113.02493	1.1
122.06117	10.8
124.07670	2.2
127.61061	1.3
132.04567	22.3
147.03262	2.8
148.04044	2.8
150.05589	3.0
151.88806	1.3
158.02460	8.1
160.04057	9.9
161.04695	1.3
162.05579	4.7
174.05626	2.8
175.02794	3.4
176.03540	13.8
176.07124	3.4
183.09256	2.3
184.06285	1.4
184.07773	2.6
187.07671	1.9
187.53096	1.2
190.05096	19.9
191.05757	2.4
196.11331	3.1
198.04358	1.9
204.03038	5.1
209.07207	3.5
211.12390	5.2
212.05923	3.5
212.10841	3.6
213.06674	2.7
215.11896	4.1
220.02507	2.1
221.61562	1.4
223.08864	5.1
224.07330	2.2
224.09529	17.1
225.06444	2.2
225.08203	1.9
226.07474	5.7
227.08295	8.1
235.05011	1.3
239.04556	2.9
239.08199	4.6
239.11929	29.7
240.10567	7.1
240.12373	2.5
241.09755	11.2
243.11392	2.2
250.07277	1.8
252.05528	1.9
253.06194	31.1
253.09859	2.8
254.06616	3.6
255.07806	6.1
255.11356	9.4
256.08353	1.8
265.06201	2.1
265.09784	4.3
266.06979	2.9
267.07684	7.5
268.08484	11.6
269.09256	2.8
270.06311	1.4
270.43576	1.5
271.07504	1.5
271.11465	1.3
281.09335	8.3
283.10901	67.9
284.11115	5.6
294.06555	2.2
299.06586	1.5
299.10004	2.0
309.08786	25.3
310.09177	2.0
315.13800	2.3
327.09875	85.8
328.10287	8.9
341.11414	4.7
353.07779	6.3
359.12418	5.0
371.08844	100.0
372.09106	9.5
385.10669	2.6
403.11456	50.7
404.11697	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	401.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22342	2.4
55.01880	3.5
56.05609	2.7
59.01403	6.2
60.90657	2.1
63.15469	2.4
69.25668	22.6
71.01389	3.2
72.99253	2.6
73.02952	22.0
92.94420	2.4
99.00892	71.0
99.01922	2.9
111.08180	3.0
117.01949	41.8
121.02955	24.9
167.15804	2.6
217.10048	2.4
219.95847	2.6
221.19133	21.2
239.20114	6.0
263.04785	2.6
265.18192	17.0
283.19107	29.8
301.20233	100.0
301.23697	4.7
302.20676	10.0
313.07266	5.4
329.81653	3.2
367.27985	2.9
383.20288	3.5
396.87042	2.7
401.08865	4.0
401.21799	70.8
402.22040	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	401.2699
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01885	1.3
57.75432	1.2
59.01375	1.7
59.68729	1.2
69.03454	9.1
71.56177	1.7
71.56580	1.6
72.99298	1.4
74.20248	1.2
76.61967	1.4
81.42358	1.2
98.30356	1.3
99.04527	28.2
121.02956	6.0
132.98862	1.5
158.06454	1.2
200.63425	1.5
275.23782	4.4
276.58688	1.7
301.21719	11.6
313.07187	2.5
319.22842	6.5
391.75760	1.5
401.26892	100.0
402.27274	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52812	0.9
59.01386	100.0
60.01715	1.1
62.00381	0.8
71.01392	7.3
78.64293	0.9
85.02940	2.2
89.02465	7.3
101.02444	3.7
113.02457	2.7
119.03513	3.6
135.04538	1.3
146.03760	20.8
153.09192	1.2
161.04710	1.7
161.06078	6.9
162.06868	1.0
164.04803	13.4
179.07158	58.5
180.07481	3.1
191.05721	1.2
221.11835	1.6
239.09235	15.8
254.36958	0.9
401.14618	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.1
69.56410	2.8
69.56821	3.0
70.64334	0.9
71.01380	3.3
80.91451	0.8
85.02938	2.8
89.02455	2.4
97.10347	1.0
101.02450	1.8
121.02971	4.9
123.04505	1.6
135.04553	1.3
153.09215	1.7
161.04575	1.3
162.06870	6.3
164.04811	4.3
167.03574	1.1
172.72757	0.9
177.09175	2.2
179.07147	64.5
180.07477	3.2
191.05714	1.4
198.38350	1.1
239.09267	100.0
240.09578	6.3
262.46259	1.0
300.94717	0.9
401.14569	37.5
402.15002	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	401.1454
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01905	2.4
58.00599	4.1
59.01386	84.8
60.01727	2.2
60.63960	1.2
67.98002	1.1
69.03460	7.6
69.21573	12.5
71.01390	81.1
72.99324	3.4
73.02966	12.5
75.00884	2.7
79.03659	1.3
81.03473	3.8
83.01403	5.7
85.02976	13.0
87.00912	1.8
89.02454	100.0
90.02783	1.8
93.03470	7.6
95.01408	2.7
95.96000	1.2
97.02965	11.2
99.00890	16.5
99.04559	2.3
101.02457	17.6
107.05045	64.3
108.05396	1.8
111.00877	2.2
113.02464	10.7
115.04057	7.4
119.03520	3.0
121.06735	1.4
125.02461	48.6
126.02831	2.2
127.04031	1.6
131.03508	11.0
133.02966	1.6
135.04527	1.4
143.03485	4.4
149.04570	14.9
155.03534	1.4
161.04590	6.8
161.09773	2.0
165.62050	1.4
167.03629	1.4
171.97586	1.3
173.04549	13.1
179.10764	4.3
191.05629	16.5
192.05980	2.1
192.54259	1.4
215.05722	1.3
227.12848	2.9
233.06683	39.0
267.65225	1.3
271.84375	1.2
293.08826	37.7
294.09225	3.1
301.60239	2.1
301.73462	1.3
401.18365	3.1
405.79697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01876	10.1
57.03453	7.0
58.00607	1.5
59.01383	49.4
60.16461	1.2
65.42621	1.4
69.03454	3.4
69.31084	5.6
69.31509	4.9
71.01387	86.4
72.99316	3.3
73.02949	36.7
75.00856	2.3
81.03490	1.5
83.01388	17.8
85.02956	48.7
87.00886	2.3
89.02447	18.2
95.01404	6.2
97.02941	3.5
98.20692	2.3
99.00885	16.3
101.02448	74.1
102.02818	1.7
111.00851	1.4
113.02457	35.3
115.04012	3.9
125.02470	8.0
131.03450	2.5
143.03517	5.3
149.04541	3.0
159.02972	8.5
161.04565	58.3
162.04942	2.4
191.05629	3.0
233.06700	6.0
252.61707	1.3
269.10312	100.0
270.10620	10.2
293.08807	2.9
401.14526	67.4
402.14917	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	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
55.07253	2.2
59.01382	16.0
62.42717	2.5
65.65592	2.4
68.99814	3.5
70.26378	8.7
71.01384	15.3
73.02945	7.3
74.17927	2.0
85.02949	7.9
87.00885	68.2
88.06023	2.0
89.02460	12.9
89.75556	2.0
96.96988	3.1
98.57771	2.1
99.00878	2.3
100.62028	2.2
101.02444	9.5
109.02925	4.4
111.00901	3.0
113.02443	5.8
119.03497	4.3
131.03525	4.5
135.04480	5.2
149.02429	5.3
151.00323	3.8
161.02487	4.0
161.04607	3.1
163.03995	6.0
164.04770	18.6
165.05515	6.2
166.02721	11.8
176.04787	2.7
178.06308	4.5
179.03522	13.3
179.05704	4.6
179.07132	30.9
181.05170	14.3
191.03476	9.4
191.05606	13.7
191.07114	4.6
193.05031	7.5
194.05765	8.8
195.06578	3.7
203.03476	3.1
204.72621	2.9
205.05063	5.6
206.05806	3.6
207.02968	2.7
209.08257	15.2
221.08292	3.6
237.07736	3.9
239.09288	3.2
245.15146	2.3
247.02547	2.4
247.05922	2.6
249.07666	4.4
261.07608	3.8
265.07181	74.9
266.07556	6.1
277.07138	7.3
295.08273	20.8
296.08408	2.6
325.09195	14.9
341.10913	17.7
355.10434	5.2
383.10019	5.3
401.10834	100.0
402.11163	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08151	1.2
57.99196	1.3
59.01385	8.9
59.83102	1.3
62.62467	1.2
68.99783	1.5
70.58457	1.4
70.58772	2.4
71.01381	4.3
72.99309	2.7
73.02951	5.9
79.63523	1.5
83.01389	1.6
85.02946	5.9
87.00886	54.8
89.02460	1.4
96.96941	1.8
101.02441	4.4
109.53665	1.3
111.00878	1.7
113.02486	2.8
114.67328	1.2
121.02914	3.1
123.00881	4.3
127.04019	1.7
131.03462	2.3
132.07684	1.4
135.04463	1.8
138.03203	2.9
149.02425	4.6
150.03264	1.5
151.00308	2.1
151.04059	1.5
153.05556	1.6
159.04547	1.6
161.02458	11.2
163.04028	20.4
164.04785	16.7
165.05550	4.0
166.02754	9.3
167.03209	1.9
175.04036	3.4
176.04802	11.0
177.01961	3.1
177.05368	2.8
178.06360	17.6
179.03505	9.8
179.07150	35.1
181.05081	13.1
187.03967	3.2
188.04759	3.4
190.02780	3.0
190.06264	1.5
191.03491	18.8
191.05568	3.9
191.07126	7.3
192.04233	2.6
193.05029	9.6
193.08669	4.1
194.05873	9.6
203.03479	7.5
204.04282	2.4
205.05049	9.1
206.05824	8.3
207.06483	2.6
208.07472	2.8
209.08168	9.2
217.26366	1.2
218.05745	4.0
219.02963	4.7
219.32523	1.1
220.03709	1.8
221.04559	4.2
221.08115	7.9
222.05286	2.2
229.01369	1.4
231.02989	1.7
231.76660	1.4
233.04472	2.0
234.05316	5.9
235.06128	2.3
236.06900	2.9
237.07683	3.7
239.09227	7.9
247.02504	7.4
247.06239	3.2
248.06639	1.6
249.07684	6.2
250.04836	2.7
251.09178	2.4
261.07654	2.6
262.04755	11.4
265.07156	62.0
266.07513	3.9
277.07193	27.2
278.07562	2.1
295.08252	74.3
296.08557	3.8
325.09332	3.7
337.09247	3.2
355.10361	22.4
356.10733	2.1
383.09946	6.9
393.97656	1.7
401.10828	100.0
402.11258	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86608	0.7
57.03437	1.3
58.36267	0.8
59.01382	4.7
60.99308	0.8
67.01881	1.3
71.01400	5.0
71.57039	1.2
73.02946	7.1
81.03455	1.3
83.01363	1.1
83.05042	1.0
84.10403	0.8
85.02957	4.9
87.00875	2.3
89.02403	1.1
89.13570	0.8
93.03469	8.5
95.01402	1.6
99.00846	1.2
100.00381	1.0
101.02477	4.0
101.06075	3.2
107.11959	0.9
108.02184	100.0
108.43761	0.9
109.02979	55.9
110.03274	1.5
111.04494	3.4
112.81793	0.8
113.02412	2.6
123.00788	1.8
123.04565	1.1
133.02936	2.9
135.04556	4.1
137.02460	1.1
151.03966	1.9
152.01167	52.3
153.01952	71.3
154.02203	3.7
155.03461	2.5
161.02403	1.3
161.04555	1.2
163.03973	1.4
163.11240	3.4
165.01927	1.0
167.06052	2.0
173.03391	0.8
173.04578	11.9
179.03485	1.8
181.12344	27.8
182.12645	1.7
187.07532	1.3
191.05629	22.2
207.10269	1.3
209.07231	6.2
225.09273	1.6
225.11324	21.2
226.11659	1.5
230.70952	0.8
242.05002	1.8
242.55325	1.5
264.54941	1.3
266.09244	1.1
267.06241	0.8
278.09387	6.8
289.59866	0.8
291.08676	2.7
302.72748	0.9
309.01563	0.8
340.09384	7.0
399.12811	63.8
400.13306	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.7
65.62167	9.9
71.01382	35.7
73.02948	22.0
74.13651	10.6
85.02947	23.2
85.99580	11.4
89.02496	11.8
96.46941	10.6
98.19763	20.6
99.00880	12.5
101.02429	18.0
113.02465	13.4
172.41298	11.6
173.04544	42.0
229.63071	11.5
291.23154	11.8
324.19553	20.0
335.22452	53.2
396.71841	14.1
397.22275	100.0
397.72311	14.6
398.22165	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	397.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57613	0.7
57.01516	0.8
59.01379	1.3
62.27411	0.7
65.88213	0.7
66.02913	0.9
67.01907	1.0
69.65486	1.9
69.65903	3.5
70.35351	0.6
72.99322	1.0
73.02954	100.0
74.03275	1.1
76.66732	0.8
83.05037	1.1
85.02943	2.3
96.96016	2.8
103.82594	0.7
129.01921	1.8
158.60974	0.9
205.10228	0.7
305.01791	0.8
323.29544	4.8
335.29605	2.9
337.27399	1.7
339.19760	0.8
379.28528	2.0
397.22583	2.7
397.29358	2.9
397.33408	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35151	0.6
59.01383	31.3
62.33994	0.8
69.63967	4.0
70.72253	0.9
71.01375	1.4
78.95879	3.9
79.94594	0.7
88.77464	0.8
98.19994	1.6
101.02466	1.5
121.02980	2.1
133.02951	0.9
134.03752	2.5
145.00554	0.7
152.99596	4.6
161.02386	1.4
162.03232	76.4
163.03615	3.4
173.04559	1.9
175.07646	0.9
177.05574	100.0
178.05865	4.9
179.03413	0.8
191.05643	4.2
195.06639	1.3
347.73978	0.8
363.16827	1.0
399.14224	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	397.2597
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
57.03450	3.0
59.01375	7.0
61.98845	3.1
71.01392	3.1
71.56273	2.4
99.00835	1.8
101.82189	1.7
109.06635	2.5
113.06106	22.3
116.92883	2.2
126.88110	3.0
127.07665	65.2
128.07933	2.1
159.86061	2.5
192.25552	2.1
207.17557	20.9
221.19115	12.8
227.07057	2.9
235.12935	2.0
247.65819	2.1
251.16508	18.7
265.18109	5.5
269.17624	40.9
269.20541	2.5
270.18036	3.8
283.19199	13.0
283.22134	2.1
287.18564	2.7
300.13928	2.1
335.25961	5.7
353.27017	5.4
361.12369	6.1
379.24948	4.6
397.25974	100.0
397.30658	10.4
398.09174	4.1
398.26254	14.3
398.30536	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	397.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.9
66.26372	20.9
69.66678	37.7
69.67046	100.0
71.01384	34.2
85.02956	23.8
98.20708	39.7
101.02483	34.2
113.02492	22.4
124.00426	18.1
148.01567	16.6
161.04539	35.7
294.35715	17.7
397.22342	20.6
397.27155	55.6
404.34296	20.7
407.42410	18.8
416.67752	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	397.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.0
66.31153	21.8
67.62049	21.1
69.83984	100.0
70.55972	23.2
71.01385	73.6
85.02959	46.8
89.02465	34.1
101.02483	54.5
107.33826	27.6
113.02466	41.7
215.94930	24.7
277.21542	23.9
397.27005	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19691	1.0
55.01891	7.4
57.03460	4.8
58.00597	1.4
59.01387	57.9
61.98808	1.2
68.89380	0.9
69.03453	2.4
71.01391	93.8
71.03114	1.3
71.03440	1.3
72.01720	1.2
72.99322	4.9
73.02953	34.1
75.00893	4.1
75.99820	0.9
78.95892	1.2
82.03383	1.0
83.01392	19.1
85.02959	39.5
87.00896	4.9
87.04501	1.3
88.75216	1.0
89.02453	36.5
93.03464	2.7
95.01395	8.0
96.96028	1.5
96.96960	2.3
97.02971	5.4
99.00896	22.2
99.04570	1.2
101.02457	79.2
102.02782	1.8
103.04018	1.7
104.52850	0.9
111.00900	5.1
113.02464	35.1
113.03265	1.7
114.02846	1.2
115.04024	3.8
119.03528	3.9
119.05020	1.9
125.02460	9.4
127.04021	1.3
129.01947	1.8
131.03500	7.3
137.02455	4.0
143.03528	6.4
149.04556	12.2
159.03023	7.9
161.04579	45.6
162.04849	2.2
163.04031	3.1
173.04530	2.8
191.05638	6.0
205.03624	1.2
207.05222	1.3
233.06715	7.8
234.99110	1.9
235.11859	1.1
251.07663	1.6
251.11378	29.9
251.14014	1.6
252.11696	1.9
265.12943	72.6
266.13287	3.5
293.08783	3.6
360.81470	1.3
397.17151	100.0
398.17508	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	397.2235
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
54.66071	1.3
57.03446	6.2
59.01375	4.8
69.03442	3.3
70.22220	1.3
70.72763	1.4
71.05038	3.7
71.43123	2.3
83.05015	1.5
95.05036	3.5
97.06593	14.0
115.89874	1.4
123.08157	10.8
125.09739	64.1
126.10054	4.5
127.11293	3.5
152.62173	1.4
153.12788	2.1
155.10759	2.9
173.11839	49.6
174.12149	1.4
187.09712	4.2
195.13910	2.5
197.11848	71.6
198.12157	3.4
217.00082	1.6
235.24536	1.4
335.18283	1.5
335.22253	2.9
346.87167	1.5
353.23315	20.4
353.27023	2.6
379.21161	6.5
380.20862	1.6
397.22272	100.0
397.30887	4.8
398.22522	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	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72020	0.2
52.42838	0.2
57.03451	1.1
58.00608	0.3
59.01384	2.2
60.99291	0.6
67.01895	5.4
69.03458	1.1
69.39967	1.7
71.01384	3.9
71.05033	0.2
72.99292	0.2
73.02982	0.3
77.62593	0.2
81.03465	0.9
83.01421	0.3
83.05029	1.1
85.02961	1.8
87.00896	0.5
93.03468	31.3
94.03806	0.7
96.96033	0.4
99.00931	0.3
101.02409	0.5
102.97536	0.2
109.02977	1.2
111.00889	1.0
111.04526	5.3
113.02457	0.9
127.04001	0.7
135.11844	1.8
137.02441	4.6
137.58488	0.2
147.04529	0.3
149.02432	1.8
155.03503	5.0
164.04829	1.4
173.04564	100.0
174.04893	3.4
179.10799	7.8
179.31134	0.2
180.11197	0.4
181.47098	0.3
191.05649	7.9
223.06152	1.1
223.09703	1.6
223.13297	1.5
397.10605	0.4
397.15027	2.8
397.22754	0.5
398.15369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01393	3.0
67.01903	4.6
69.03468	1.3
71.01389	3.5
71.57019	0.6
72.61266	0.4
73.97202	0.3
74.25167	0.4
81.03465	0.8
83.01424	0.4
83.05021	0.9
85.02959	2.3
85.26002	0.3
93.03468	28.2
94.03804	1.2
96.51994	0.4
96.95985	0.4
99.04529	0.6
109.02977	1.2
111.00889	0.9
111.04545	4.9
113.02466	1.0
115.03975	0.4
127.04050	0.9
129.53476	0.4
135.11795	1.8
137.02455	4.0
138.02853	0.4
149.02475	1.3
155.03497	4.9
159.65163	0.4
164.04770	1.1
173.04562	100.0
174.04916	4.5
179.09358	0.6
179.10800	6.9
191.05626	7.6
223.06190	0.7
223.09808	1.4
223.13416	0.9
397.14868	2.9
405.72858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60178	60.5
63.44678	61.7
68.27530	57.0
137.74628	75.4
141.52768	61.0
168.24168	60.4
188.17532	58.8
199.24803	55.3
249.32082	54.7
395.25226	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	395.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	54.7
158.52184	48.3
173.04558	100.0
395.25308	66.0
396.88586	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34294	17.6
57.03444	22.0
59.01373	63.7
61.14259	16.6
69.18293	85.9
69.18719	100.0
71.01391	49.9
83.83279	16.2
85.02952	22.6
93.03443	24.4
98.20662	38.5
101.02448	41.7
113.02500	17.3
135.04507	20.2
167.29588	17.0
173.04593	36.6
191.05646	19.2
231.01283	18.7
232.75792	19.7
372.82867	17.2
395.20566	58.5
395.25110	35.2
396.21133	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40115	0.4
50.73054	0.4
55.01881	5.2
57.03455	3.7
58.00587	1.1
59.01384	33.1
62.60063	0.4
69.03472	1.1
70.31672	1.0
71.01388	39.6
71.34030	0.4
72.01714	0.5
72.99316	2.1
73.02953	22.4
74.03292	0.4
75.00900	0.7
81.03450	0.4
83.01395	17.0
84.01724	0.4
84.02155	0.4
85.02958	25.3
85.06591	1.1
86.00099	0.7
86.03305	0.5
87.00867	2.4
87.08189	0.7
89.02455	5.4
89.02956	0.6
93.03465	0.7
95.01395	2.9
97.02957	1.7
99.00897	7.6
99.66168	0.4
101.02454	51.1
102.02798	1.2
103.04019	1.7
109.65759	0.4
111.00894	1.5
113.02463	18.3
114.02794	0.5
115.04015	0.8
119.03539	1.8
125.02435	1.8
129.01936	1.8
131.03572	0.4
131.25143	0.4
135.04543	0.4
136.77144	0.4
141.01933	0.5
143.03487	2.4
145.05122	1.2
157.08751	0.6
159.02960	3.5
160.01727	0.4
161.04573	18.1
162.04912	0.9
163.03888	0.5
163.06140	0.5
173.04546	1.0
177.05591	0.8
188.04865	0.9
191.05594	1.3
205.03542	0.9
219.06705	0.8
221.08191	0.9
229.07220	0.9
231.06766	0.5
231.12578	0.5
235.06062	0.5
247.08214	1.3
249.13443	100.0
250.13794	7.3
263.14969	2.6
275.05557	0.6
291.08984	0.4
293.06879	0.5
293.12677	1.1
303.74847	0.4
353.08838	0.5
395.19250	27.1
396.19678	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	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
55.41605	0.3
57.03452	3.8
58.00593	1.4
59.01384	33.8
60.01701	0.4
60.83611	0.4
68.99825	0.5
69.03455	1.2
69.28156	2.7
69.28569	0.8
71.01387	50.1
72.01727	0.9
72.99319	2.2
73.02951	29.3
74.03281	0.6
75.00875	1.5
78.22214	0.3
81.03469	0.8
83.01395	12.6
83.53444	0.3
85.02959	28.4
86.00104	2.0
86.03295	0.8
86.45729	0.4
87.00885	3.4
89.02449	11.2
91.36813	0.3
95.01394	3.8
97.02947	2.2
99.00892	10.9
99.08186	1.0
101.02452	57.7
101.09721	0.9
102.02786	1.3
111.00893	1.9
113.02461	21.0
114.02773	0.8
115.04002	1.8
117.81415	0.3
119.03542	0.8
122.64000	0.4
125.02441	3.4
129.01967	1.3
131.03520	3.3
141.01918	0.4
143.03513	2.4
149.04567	1.0
159.03001	3.9
161.04562	19.6
162.04933	0.8
171.10229	0.5
173.04480	0.6
191.05580	1.1
197.61789	0.5
205.03506	0.4
233.06604	2.4
263.15002	100.0
264.15384	7.0
293.08783	1.1
307.13840	0.8
329.46011	0.4
337.55756	0.4
395.19220	72.5
396.19623	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	395.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62893	0.4
51.41057	0.4
53.49667	0.4
54.77472	0.4
59.01383	2.5
69.37991	2.2
69.38383	0.9
71.01385	3.1
72.99314	0.6
73.02953	1.2
78.95912	4.9
79.95742	3.0
80.96522	2.9
85.02951	1.2
85.46817	0.5
87.00902	1.3
89.02441	0.7
95.95269	0.5
96.96021	100.0
96.96926	9.0
98.19911	0.9
101.02451	1.9
109.02965	10.0
111.82076	0.4
113.02468	0.9
122.97589	0.8
123.04563	0.6
125.02450	0.5
126.72772	0.4
138.96059	0.9
138.97087	10.4
143.03532	0.4
150.97025	0.8
153.01964	11.8
154.02299	0.6
161.04555	0.6
164.98669	0.6
168.98198	1.0
180.98170	1.0
191.05656	0.7
195.02982	1.0
198.99202	0.4
222.99167	1.9
237.48366	0.4
241.00250	55.9
242.00581	2.5
263.98709	0.4
288.18845	0.5
315.07266	1.2
395.02899	43.8
395.15530	1.2
396.03174	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	395.1923
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01886	6.1
57.03453	4.0
58.00604	1.5
59.01385	31.9
59.30348	0.4
60.01743	0.5
65.89680	0.4
69.03445	1.0
69.17348	0.5
69.47171	3.4
71.01389	50.2
72.01731	0.7
72.99317	1.5
73.02954	25.5
75.00874	1.0
81.03481	0.6
83.01394	13.3
84.01707	0.5
84.02187	0.6
85.02958	28.9
86.00103	1.4
86.00593	0.5
86.03292	0.7
87.00904	2.4
89.02457	9.6
95.01395	3.7
97.02950	1.7
99.00896	9.8
99.08162	1.0
101.02451	55.9
101.09725	1.0
102.02785	1.0
111.00880	1.9
113.02460	22.1
114.02772	0.6
115.04025	1.9
119.03532	0.6
125.02459	3.0
126.30224	0.4
129.01944	1.3
131.03503	3.1
141.01968	0.6
143.03493	2.3
149.04578	1.2
159.03038	3.3
159.59991	0.4
161.04570	19.7
162.04939	0.9
171.10272	0.6
173.04657	0.5
191.05630	0.9
233.06670	2.3
260.63153	0.6
263.15009	100.0
264.15387	7.9
293.08649	0.8
294.12869	0.5
298.27151	0.5
307.13663	0.6
395.19229	66.8
396.19620	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
57.03456	3.7
58.00596	1.3
59.01384	34.7
68.99842	0.4
69.03454	1.4
70.86139	0.6
70.86517	0.7
71.01386	40.8
72.01722	0.6
72.99323	2.3
73.02954	21.1
74.03273	0.5
75.00899	1.1
79.53268	0.3
81.03463	0.3
83.01392	16.1
84.01722	0.4
85.02960	23.3
85.06609	0.6
86.00101	1.5
86.03282	0.4
87.00898	2.4
87.08167	0.8
89.02455	6.3
93.03468	0.9
95.01397	3.1
97.02959	1.7
99.00889	7.8
99.04510	0.4
101.02451	53.6
102.02795	0.9
103.04006	2.1
111.00878	1.8
113.02461	18.1
114.02779	0.7
115.04031	0.7
118.98129	0.3
119.03501	1.3
125.02457	2.5
127.03962	0.4
129.01958	1.1
131.03499	0.5
143.03477	2.0
145.05081	0.7
157.08742	0.6
159.02994	3.6
161.04573	20.0
162.04926	0.9
163.06116	1.3
173.04556	3.0
181.46921	0.3
191.05634	0.6
191.86087	0.3
205.03410	0.5
229.07077	0.8
233.06595	2.4
247.08249	0.7
249.13440	100.0
250.13788	6.4
263.14969	2.9
293.12460	0.6
319.36490	0.3
327.43378	0.4
395.19220	30.1
396.19656	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.03445	4.1
58.00586	3.5
59.01385	100.0
60.01722	0.9
69.03470	1.4
71.01387	74.0
71.55941	1.2
71.56303	1.2
72.01727	1.1
72.97555	1.1
72.99301	4.0
73.02949	24.7
75.00880	3.4
83.01382	9.3
85.02462	1.7
85.02958	27.4
87.00877	8.2
89.02453	68.8
89.16609	1.0
93.03457	3.1
95.01396	6.1
97.02942	3.0
99.00891	17.6
99.04536	1.2
101.02454	56.2
102.02782	1.9
103.20759	0.9
107.05012	0.8
113.02458	28.0
113.03255	1.4
115.04023	1.9
119.03511	14.9
125.02489	5.5
129.01959	1.6
131.03517	8.6
143.03485	5.2
149.04570	19.5
158.41113	1.0
159.02985	4.0
161.04576	17.6
163.03998	1.4
173.04546	4.6
175.03983	1.2
179.05632	10.0
188.77434	1.0
191.05627	18.3
192.05917	1.5
216.11591	7.0
223.72237	1.2
231.13930	14.8
233.06631	2.7
261.13440	47.4
262.13715	2.7
278.55362	1.0
333.19006	1.9
393.17648	62.3
393.28503	5.5
394.17822	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	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.3
57.03452	3.7
57.90577	0.7
58.00637	2.7
59.01096	2.2
59.01382	71.1
60.01751	0.7
69.03499	2.8
69.78110	3.7
71.01386	84.9
71.05036	0.7
72.01775	0.7
72.99316	4.3
73.02950	31.8
74.03326	0.9
75.00919	2.2
79.63686	0.6
80.05096	1.2
81.03486	1.1
83.01395	17.4
85.02956	41.1
86.03395	0.9
87.00898	3.9
87.04581	1.2
89.02452	23.7
95.01389	6.3
97.02959	3.5
99.00883	12.3
99.04492	0.7
101.02448	66.8
102.02828	1.7
103.04011	5.8
109.02995	0.7
111.04590	0.7
113.02457	34.5
115.04071	1.9
119.03506	8.4
119.04232	0.9
125.02467	7.3
129.01959	1.4
131.03531	1.7
143.03513	7.6
143.07098	0.7
145.05127	2.0
159.03023	9.0
161.04567	61.4
162.04962	1.9
163.06134	5.2
169.33614	0.7
179.05638	1.5
185.27432	0.6
191.05644	1.8
204.51802	0.7
205.03586	2.2
205.07196	1.5
206.03636	0.7
213.11311	1.0
229.07216	1.3
247.11870	100.0
248.12189	6.4
291.11017	0.8
331.21442	0.7
333.15662	3.1
333.19135	1.0
375.20105	1.2
375.53708	1.0
393.17526	46.8
394.18021	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.93811	0.3
57.03448	1.7
58.00594	3.6
59.01382	100.0
60.01703	1.2
69.03465	2.0
69.39154	1.7
69.39563	0.8
71.01385	54.7
71.05023	0.4
72.01704	0.7
72.99314	4.9
73.02950	33.0
73.34660	0.3
74.03284	0.5
75.00883	1.1
78.23569	0.3
81.03441	0.7
83.01389	4.8
83.05025	0.4
85.02953	17.5
86.00101	1.3
86.03282	0.5
87.00880	11.7
87.04516	4.1
89.02448	53.9
90.02789	0.9
95.01378	2.4
97.02939	1.6
98.20622	0.5
99.00896	1.0
99.04518	0.8
101.02447	57.9
102.02786	1.2
103.04015	22.6
104.03178	0.3
104.04354	0.5
113.02450	13.2
114.02784	0.3
115.04019	7.4
119.03510	21.6
119.12888	0.3
120.03783	0.3
125.02454	3.2
126.22631	0.3
127.04019	2.0
131.02542	0.7
131.03510	10.9
133.05084	0.3
143.03508	14.9
143.07117	0.5
144.03860	0.7
145.05078	6.6
149.04546	1.0
161.04558	3.2
163.06131	49.6
164.06438	1.8
179.05627	7.0
189.98953	0.4
191.05608	0.8
194.29745	0.3
205.07169	31.7
206.07536	1.5
230.09302	0.3
247.08098	0.3
247.11925	2.7
256.09790	0.3
265.09253	2.6
273.12350	0.4
333.15494	1.1
333.19196	0.5
375.20123	0.6
393.17035	4.3
393.21466	2.2
394.17300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02679	0.6
55.01876	4.1
55.15771	0.5
57.03447	2.1
58.00589	1.3
59.01383	31.5
65.85246	0.6
67.01872	0.7
68.99821	0.7
69.03453	1.3
69.32919	1.1
69.33321	4.6
71.01385	47.3
72.01711	0.8
72.99313	2.3
73.02950	27.7
75.00868	1.1
75.71496	0.5
81.03466	0.8
82.86148	0.6
83.01390	10.0
85.02956	25.6
85.03469	1.5
86.00070	0.9
87.00883	4.1
88.63012	0.6
89.02451	10.1
93.03441	0.7
93.05843	0.5
95.01406	4.4
97.02948	2.0
98.20731	0.8
99.00278	0.8
99.00886	10.1
99.08199	0.8
101.02448	51.4
102.02793	1.0
111.00896	0.9
113.02454	20.8
115.03992	1.0
119.03492	1.0
125.02432	2.3
129.01941	1.9
131.03539	2.8
143.03552	2.9
149.04550	1.0
159.03006	3.8
159.04099	0.6
161.04567	20.2
162.04839	1.0
163.06036	0.7
173.04575	0.6
191.05618	1.5
231.02808	1.2
233.06618	2.0
247.11916	1.1
261.13431	72.7
262.13708	4.1
293.08981	1.0
331.13034	0.8
333.15796	1.0
375.20477	0.7
393.17630	100.0
394.17969	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	393.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01385	100.0
60.01704	0.9
64.75513	0.9
65.63622	0.9
71.01392	23.3
71.05027	1.2
73.02942	2.8
82.90048	1.0
83.01397	1.9
85.02953	4.1
88.98788	2.4
89.02439	4.2
93.03467	2.1
97.00462	1.2
97.06630	1.6
99.00854	1.9
101.02443	5.3
104.77076	1.2
113.02481	3.2
115.07628	1.0
116.92932	1.0
117.05589	7.1
119.03485	1.4
119.05006	1.4
122.06099	1.1
125.02438	1.2
126.85953	0.9
134.77061	1.0
139.07597	1.5
143.07150	2.3
145.02931	1.4
151.73152	0.9
153.09265	1.2
161.04599	2.9
171.06616	2.7
173.04559	2.7
189.88275	1.0
191.05598	3.9
230.09425	1.2
250.55794	1.0
256.09915	1.2
261.09906	1.1
273.12506	3.2
291.08536	1.0
317.11533	1.9
331.21249	1.1
333.15622	21.3
333.19263	2.0
334.15781	1.8
361.10266	1.7
375.20395	1.7
393.13495	8.1
393.21625	16.9
394.21631	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	393.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.5
57.03447	3.9
59.01107	3.8
59.01385	44.5
60.41137	2.3
69.32983	2.5
69.76792	12.4
71.01386	53.4
71.09740	2.0
73.02953	26.0
83.01385	12.4
85.02956	30.2
87.00868	4.4
89.02447	12.0
95.01392	4.4
97.02964	3.6
99.00907	10.7
101.02452	56.1
113.02471	20.9
115.03992	2.1
119.75627	2.2
125.02424	3.2
143.03505	3.0
159.02954	5.3
161.04568	23.1
163.73245	2.4
183.22919	2.3
191.05516	2.5
261.13452	100.0
262.13809	8.9
279.98901	2.3
333.15555	3.5
393.13074	33.9
393.17694	76.4
394.13263	3.5
394.18015	9.1
394.60156	2.3
406.03238	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	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31836	1.8
54.15472	2.1
59.01384	100.0
61.98835	6.7
68.66673	2.0
71.01388	27.5
71.55486	3.0
73.02940	7.5
78.95906	3.6
83.01386	3.5
84.70647	1.7
85.02968	11.8
87.00909	2.4
88.04079	2.9
89.02454	7.1
93.03448	6.3
94.03828	1.9
96.96969	3.2
99.00884	4.6
101.02466	14.5
108.02210	2.1
109.02915	3.0
113.02452	8.1
119.03529	2.3
123.00883	8.1
123.01770	1.9
124.01659	8.9
124.65504	1.8
125.02461	19.5
135.04530	3.1
138.03204	8.3
139.04044	7.1
143.03488	4.2
146.08275	1.8
148.74352	2.0
159.02957	3.6
161.04568	29.5
166.02606	2.6
173.04532	8.0
179.03532	2.9
191.05620	6.2
192.06061	3.0
194.85463	1.7
218.99312	2.5
219.10628	2.5
252.45210	2.0
269.06577	3.7
301.09186	2.5
341.92093	2.0
370.87778	2.3
393.04559	6.0
393.15900	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	391.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
69.56837	4.1
83.05038	0.8
95.00336	0.7
96.35516	0.8
96.96010	1.3
106.43414	0.6
119.05041	9.7
127.23493	0.6
147.60991	0.5
178.74559	0.6
196.77927	0.6
251.61676	0.7
271.13434	1.2
289.14645	1.0
309.17496	2.1
309.63022	0.6
319.24310	0.9
339.23349	2.6
357.22128	0.8
357.25967	1.8
359.23663	1.4
373.25162	3.1
375.26935	20.2
376.27258	4.3
389.28577	1.7
391.19543	6.8
391.30084	100.0
392.19635	0.9
392.30444	16.0
393.87250	0.7
405.27853	0.8
407.26352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46970	2.6
54.96011	2.6
59.01379	11.1
61.98838	100.0
70.32591	9.8
70.52014	3.0
140.89720	2.7
142.14534	2.8
142.96407	2.6
150.81900	2.7
161.84949	2.6
172.05687	3.0
187.86223	2.6
221.19330	2.6
225.49355	2.8
349.27695	4.5
369.00455	2.7
393.26715	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	393.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
69.93313	2.1
69.93704	1.4
78.95911	46.7
89.02449	1.4
90.66571	0.7
96.96094	3.7
96.96973	100.0
106.17856	0.7
133.05031	1.1
134.57634	0.8
135.04521	0.7
172.20221	0.9
191.05644	1.0
295.10410	3.7
393.11023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30161	3.3
57.03437	8.4
57.83397	3.2
59.01384	87.4
69.03468	5.3
71.01417	3.7
71.55894	4.1
71.89077	3.4
82.92245	3.4
83.05038	5.0
83.69263	3.5
89.26293	3.8
89.99310	3.7
93.03465	3.9
94.08128	3.5
96.96001	3.2
99.92618	4.5
119.04978	3.9
119.08707	17.4
125.09719	7.4
130.23055	3.6
135.08141	4.8
137.09732	45.8
138.10037	4.2
139.11266	4.9
166.87233	3.4
171.10289	98.5
185.11864	22.2
188.97989	4.1
193.08510	15.9
197.11928	5.4
201.11296	5.5
207.10065	100.0
208.10359	3.8
213.11362	7.3
217.00258	5.2
234.90353	3.9
245.19296	5.3
253.09351	6.0
254.09413	5.4
272.52701	3.7
273.18634	7.4
291.19702	25.6
292.19922	4.0
295.38959	3.6
309.17242	7.4
309.20724	95.6
310.20767	8.0
313.17886	92.1
314.18188	12.3
331.17944	4.8
373.18628	3.9
391.20493	14.0
391.24353	6.2
391.28922	44.7
392.29199	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2857
Annotation	Ursodiol
Peak:m/z	Relative Intensity
50.31162	0.4
57.03437	1.2
59.01385	7.5
60.45686	0.4
62.56451	0.4
69.03461	3.6
71.13641	1.2
87.16144	0.5
95.05100	0.4
96.96004	0.6
118.63189	0.5
166.77440	0.5
174.90723	0.5
189.09158	0.5
231.10292	1.2
275.23755	0.5
277.96277	0.5
313.21817	0.8
315.23331	1.9
327.26913	0.9
329.24854	2.6
331.26443	23.2
332.26831	2.9
332.30203	0.4
345.24457	0.4
347.25653	0.6
347.29535	6.3
348.29916	0.8
357.24503	0.5
373.27496	29.1
374.27832	4.9
375.25330	2.7
376.25891	0.5
391.28619	100.0
392.28928	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	391.3009
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
54.57886	0.3
58.41722	0.3
59.01381	2.7
67.46902	0.3
69.32548	1.2
69.32968	1.5
83.05033	0.7
85.46939	0.4
91.28220	0.3
96.96001	0.9
98.19984	0.7
103.01694	0.3
119.05039	6.5
120.05418	0.5
153.00705	0.3
189.12892	0.6
217.02541	0.3
220.15390	0.4
271.13504	1.4
289.14398	0.7
289.22842	0.4
305.22906	0.3
309.17480	0.9
319.24518	1.0
329.19308	0.4
343.20670	0.5
357.21967	0.7
357.25897	1.9
360.24631	0.9
373.25333	2.6
374.25565	0.3
375.26956	21.3
376.27292	4.1
389.28534	1.2
391.19559	4.7
391.30087	100.0
392.19421	0.5
392.30420	17.1
407.26340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09405	5.1
59.01384	100.0
59.98524	16.6
64.51881	4.4
65.92930	4.4
69.03477	7.5
70.01579	4.9
71.01389	13.1
71.05029	11.2
71.13912	10.5
78.95905	9.2
83.05028	8.2
83.07507	4.7
93.03458	8.1
96.96021	99.6
96.96960	6.8
97.06623	5.2
99.83260	4.5
113.99331	7.5
119.05043	17.8
119.08702	7.7
120.02604	4.5
121.10258	22.9
121.10989	4.4
123.08150	6.0
125.09706	9.8
129.98833	9.2
137.09641	6.9
171.10367	7.3
178.20314	4.9
181.04764	5.7
185.11841	15.6
193.08423	26.5
197.11861	6.6
207.10092	35.3
229.19576	8.1
245.19041	22.8
265.21628	7.6
271.13290	5.4
275.20218	9.1
285.14651	13.1
291.19696	51.5
292.20145	9.2
295.16791	10.0
297.18362	34.3
303.19360	7.2
309.20740	42.5
311.16364	8.0
313.17874	59.8
314.18118	5.1
329.17377	67.4
330.17963	7.3
331.18872	54.5
375.20242	13.9
391.20212	7.6
391.28976	39.9
392.29193	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	0.9
68.28733	0.6
69.28380	1.8
69.28793	3.1
71.01389	7.4
71.12831	0.6
73.02963	2.1
75.00901	0.5
83.01403	1.3
85.02950	3.9
89.02480	1.6
90.51897	0.7
92.28257	0.5
95.01408	0.6
99.00922	1.1
101.02464	5.6
113.02454	3.8
135.04514	0.7
143.03574	0.9
159.02998	0.8
161.04567	7.8
166.06401	1.4
167.19208	0.7
181.08760	1.7
191.05637	1.1
246.41153	0.6
331.17606	10.4
332.17984	1.1
380.55450	0.6
391.19870	2.5
391.27173	5.1
393.36353	0.7
397.11752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30788	0.5
57.03454	0.8
57.20916	0.6
59.01386	100.0
60.01714	0.7
69.21539	1.0
69.21935	4.9
71.01385	8.0
73.02958	3.0
75.00909	0.6
76.27666	0.5
83.01398	1.1
85.02955	3.2
87.00907	0.6
89.02469	2.1
93.03471	0.5
99.00880	0.6
101.02460	6.2
102.02757	0.4
111.08261	0.5
113.02460	3.0
115.07618	0.6
118.98186	0.5
119.03544	1.2
135.04558	1.0
143.03572	0.8
154.97141	0.5
157.49687	0.5
161.04584	5.6
161.05777	0.7
167.13431	0.5
173.04510	0.7
176.03853	0.6
191.05719	1.9
229.09956	0.5
282.22815	0.5
320.42426	0.5
331.17636	4.8
331.24896	1.2
341.25494	0.6
349.18799	0.6
391.19589	1.7
391.27295	9.8
392.27710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.4
59.61320	3.0
61.79781	4.0
61.98835	100.0
71.01422	5.2
72.86186	3.1
98.19027	3.5
98.19769	6.0
99.13448	3.3
101.02480	3.7
126.82399	3.1
128.78914	3.6
129.21066	3.5
391.25174	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.34660	0.4
60.01715	0.9
70.67869	0.5
70.68207	0.8
71.01385	7.1
73.02957	1.0
83.01391	0.6
84.78389	0.4
85.02945	2.4
87.00845	0.6
89.02449	6.4
93.03468	4.7
95.01397	0.9
99.00897	0.6
101.02445	4.7
108.02190	5.3
109.02973	7.2
113.02438	3.2
119.03493	2.8
123.00898	0.7
137.02455	8.2
143.03522	0.9
149.04506	0.6
159.03038	0.4
161.04619	1.9
163.93924	0.4
173.04594	0.4
179.05730	1.3
190.91788	0.4
218.76382	0.4
222.34322	0.4
281.06702	9.1
282.07111	0.9
282.53781	0.4
331.17770	0.6
391.10342	12.1
391.15091	0.7
392.10873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54536	0.7
58.00607	0.6
59.01386	100.0
60.01714	1.4
63.38962	0.6
65.72712	0.5
71.01392	7.5
71.98917	0.6
73.02959	2.3
83.01440	0.9
85.02972	4.4
88.36089	0.6
89.02473	2.2
92.28281	0.7
98.19854	1.1
101.02451	6.2
101.03021	0.7
107.33196	0.6
113.02451	3.7
118.36417	0.6
127.81149	0.5
159.02997	0.7
161.04564	6.7
166.06387	0.7
181.08742	0.9
194.64246	0.7
228.99825	0.6
229.14687	0.9
295.62027	0.7
331.17651	9.3
332.18143	1.1
346.08643	0.7
391.19778	3.7
391.27191	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.18206	11.2
76.91534	5.9
93.78825	7.4
102.84277	6.3
109.60545	5.7
161.88669	5.9
166.63708	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	389.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14357	2.5
50.92636	2.5
53.25624	2.5
54.17207	2.5
57.95548	2.3
59.01387	100.0
59.01690	5.4
69.72639	8.2
69.73048	5.1
80.96517	4.3
96.12038	2.8
197.11731	2.9
255.23375	3.9
270.85172	2.9
389.19009	4.1
389.30893	3.8
390.19736	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3062
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
59.01376	1.6
67.87218	0.7
71.55455	1.2
71.55816	1.2
74.97519	0.9
77.52701	0.7
79.89609	0.7
93.58947	1.0
139.52116	0.8
249.09380	0.7
335.50989	0.8
345.24414	0.8
371.29492	0.9
389.30664	100.0
390.30981	13.6
411.89935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.8
69.03444	0.8
75.67754	0.5
76.46635	0.7
81.03466	25.4
82.03767	0.8
103.48896	0.7
121.06599	1.3
125.02419	1.4
149.09767	1.0
180.29399	0.7
359.23904	1.0
372.24545	0.9
373.25314	0.8
374.26086	2.5
389.28503	100.0
390.28870	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
69.03452	0.5
69.31242	2.5
81.03464	25.0
82.03795	0.5
113.80970	0.3
120.00426	0.3
121.06585	1.6
125.02463	1.0
135.08154	0.6
148.15286	0.4
149.09723	1.2
179.54427	0.3
181.81540	0.3
333.25879	0.8
342.33740	0.3
357.22330	0.4
359.23828	0.9
361.25208	0.4
372.24554	0.9
373.25266	1.2
374.26114	2.4
387.27136	0.7
389.28506	100.0
390.28836	17.3
406.25018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
60.05373	0.5
69.03483	0.9
70.72701	0.5
77.37548	0.5
81.03464	43.8
82.03809	1.5
82.42258	0.5
109.29370	0.5
109.33377	0.6
113.83821	0.6
120.05771	0.6
121.06542	0.7
125.02478	1.7
147.99608	0.6
149.73560	0.6
229.50105	0.5
333.26007	0.9
359.23816	1.5
361.25354	0.8
364.24008	0.6
374.26117	2.1
375.27023	0.6
389.28510	100.0
390.28857	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	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30872	0.5
54.03008	0.4
55.01884	1.5
55.98901	0.4
57.03440	2.1
58.00605	3.7
59.01382	100.0
60.01718	0.7
66.49310	0.4
69.26510	2.1
69.26929	1.4
71.01387	63.1
71.05047	0.5
72.01748	0.8
72.99313	4.6
73.02959	3.2
75.80335	0.4
80.64981	0.4
83.01425	2.6
85.02958	12.0
87.00887	4.1
88.28944	0.4
89.02451	81.1
90.02791	1.6
93.03456	0.9
95.01392	4.7
97.02988	0.4
99.00887	1.3
101.02449	38.8
102.02769	1.1
109.06578	1.0
113.02455	27.5
114.02791	0.7
119.03510	36.1
120.03810	1.0
125.02457	1.1
131.03499	3.5
134.64551	0.4
143.03500	4.7
147.11798	3.3
149.04564	3.3
153.09181	1.6
159.02992	0.5
161.04579	9.8
166.66602	0.4
173.04498	0.8
176.77785	0.5
179.04143	0.7
179.05612	10.7
180.05991	0.6
180.71295	0.4
182.61935	0.5
191.05667	2.3
209.11848	5.6
227.16516	8.8
261.49747	0.4
389.17822	10.5
389.21716	13.0
390.18124	1.6
390.22180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Rehmaionoside A
Peak:m/z	Relative Intensity
55.01885	5.6
57.03454	6.5
58.00592	2.0
59.01383	49.6
60.01722	1.1
63.23973	0.4
65.47025	0.4
67.01887	0.9
69.03454	1.6
69.53651	1.2
69.54061	2.0
71.01386	100.0
71.05022	16.7
72.01722	1.4
72.05341	0.5
72.99324	2.9
73.02949	26.5
74.03275	0.7
75.00881	1.8
81.03487	0.7
83.01392	9.5
83.05049	0.7
84.02150	0.5
85.02956	39.4
86.03287	0.8
87.00875	4.4
89.02452	29.3
90.02784	0.6
93.03474	1.7
95.01391	8.0
95.05053	0.7
97.02962	2.8
98.03757	4.4
99.00884	11.6
99.04519	0.5
101.02450	57.7
102.02778	1.7
109.06586	0.8
111.00858	0.5
111.04533	0.9
112.05296	0.6
113.02455	44.0
114.02811	1.2
119.03515	10.5
123.08201	1.6
124.05312	3.1
125.02466	2.2
127.07637	0.9
129.01944	1.1
129.05553	0.5
131.03481	1.0
137.09737	4.0
138.06854	1.9
139.07660	14.6
140.07999	0.9
143.03505	4.8
149.04541	0.8
153.08058	0.8
153.09212	9.4
154.02008	0.6
154.09482	0.4
155.10788	57.4
156.11092	3.3
159.02991	9.4
161.04562	44.8
162.04890	1.0
165.12816	0.6
173.04538	2.6
179.05626	2.0
191.05663	2.2
199.09752	0.9
199.50844	0.4
205.03561	0.9
209.15430	1.3
215.09128	0.4
215.12865	1.1
227.16533	95.9
228.16898	7.5
261.98361	0.4
305.96063	0.5
322.88693	0.5
376.36978	0.5
389.13986	1.1
389.18265	1.1
389.22076	7.6
390.21976	0.7
401.83536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.97733	0.4
55.01881	1.7
57.03450	1.9
58.00594	3.1
59.01384	100.0
60.01707	1.2
69.03448	0.4
71.01388	62.4
71.05012	0.6
71.55126	0.5
72.01730	1.6
72.97511	0.5
72.99317	4.5
73.02960	3.7
81.48798	0.4
83.01392	3.6
83.04965	0.5
85.02956	14.0
87.00884	6.8
89.02453	69.1
90.02779	1.2
93.03439	1.3
95.01388	4.2
97.02988	0.4
99.00878	1.2
99.04553	0.5
101.02449	38.7
102.02803	0.9
109.06602	3.4
113.02459	24.3
114.02808	0.6
119.03513	30.2
120.03840	0.5
125.02372	0.6
129.02023	0.4
129.36157	0.4
130.08646	0.7
131.03525	2.2
143.03506	4.1
143.11877	0.4
144.04466	0.4
147.11812	7.8
148.12051	0.8
149.04582	2.3
149.09702	0.5
153.09163	1.2
153.37714	0.4
159.02971	0.6
161.03300	0.4
161.04572	7.1
165.12794	1.5
173.04469	1.8
179.04129	0.6
179.05606	8.5
191.05626	3.9
199.93372	0.4
209.11839	18.6
210.12117	1.1
227.14700	0.5
227.16521	6.6
228.16751	0.5
248.05237	0.4
251.05516	0.6
259.08807	0.4
307.13968	0.8
339.48767	0.4
345.10648	0.9
371.16898	0.7
389.17828	43.2
389.21887	5.3
390.18298	4.8
390.22427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01382	100.0
60.01701	1.3
71.01385	6.2
73.02955	3.1
74.39365	0.3
80.83831	0.3
82.97392	0.3
83.01409	1.0
85.02964	0.8
85.06602	0.3
86.13250	0.2
89.02464	0.9
101.02445	3.3
113.02459	1.2
113.09733	10.1
114.10048	0.5
125.09742	0.9
135.04524	0.9
141.12875	1.2
159.83514	0.3
161.04521	0.8
165.01949	0.3
165.25484	0.3
167.10783	1.7
167.12088	0.4
179.07185	0.7
180.07950	1.6
185.11832	56.5
186.12198	3.5
191.05699	0.3
223.09795	2.3
229.09943	0.3
329.15988	0.9
347.17096	1.9
352.20432	0.3
380.34171	0.3
389.18097	4.8
389.25320	2.5
390.18680	0.4
390.25665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01875	5.0
57.03461	2.8
58.00594	2.2
59.01384	43.0
61.98824	1.3
68.30067	1.5
69.88271	5.6
71.01389	46.7
72.99342	2.5
73.02957	16.7
75.00875	3.6
78.50911	1.1
80.09811	1.0
82.98597	1.1
83.01399	9.1
84.18659	1.4
85.02956	24.8
86.00113	1.2
86.64945	1.1
87.00871	6.4
89.02452	21.8
90.14024	1.2
93.03457	2.9
95.01400	4.5
97.02923	1.4
99.00893	5.4
101.01804	2.8
101.02451	38.3
109.02971	5.8
113.02460	17.5
119.03526	10.6
123.04613	1.3
125.02446	1.4
127.93791	1.1
131.03488	5.2
137.02448	51.9
138.03203	3.9
143.03539	1.7
152.04816	22.8
153.05505	4.5
155.03473	1.5
159.02960	2.3
161.04622	10.1
165.05559	1.5
167.07141	6.0
173.04527	2.2
178.02727	1.8
179.03517	7.5
179.05621	1.5
184.03798	7.9
190.88004	1.2
191.05634	6.2
193.05168	1.5
194.05849	5.4
197.04602	3.5
209.08200	9.8
212.06918	35.3
213.07170	1.5
215.09268	2.8
221.06543	3.0
227.09262	100.0
228.09537	7.0
237.06212	3.1
389.14514	81.1
390.14798	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	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70655	0.7
59.01385	100.0
60.01726	1.5
61.98842	2.3
66.80446	0.6
69.70239	0.7
71.01387	7.6
71.26991	1.4
73.02949	1.5
81.19968	0.7
83.01373	0.7
85.02964	2.5
87.00861	1.8
89.02462	3.3
93.03486	1.0
95.01432	0.7
96.97012	0.9
101.02450	4.2
104.61174	0.7
109.14095	0.7
113.02484	3.0
122.03751	1.9
135.04536	1.2
151.03987	0.8
152.04802	17.8
152.05965	1.3
153.05183	0.7
161.04572	6.4
167.07156	29.2
168.07477	1.7
173.04659	1.7
175.28436	0.6
178.02791	0.7
179.03572	3.8
191.05692	2.9
193.05086	4.6
194.05836	3.8
209.08118	7.3
262.70566	0.7
335.12943	0.7
389.14441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01873	3.4
57.03427	1.4
58.00596	4.3
59.01384	100.0
71.01386	70.5
71.55926	1.9
72.99311	5.7
73.02944	5.5
82.95406	3.1
83.01394	4.4
85.02950	15.7
87.00880	5.7
89.02452	69.0
95.01382	4.9
96.97012	1.4
99.00871	1.7
101.02448	42.8
108.02146	2.0
109.02996	2.0
113.02459	22.4
119.03508	30.7
123.30836	1.4
125.02415	1.4
131.03510	2.8
135.04614	1.4
137.02454	12.9
143.03490	4.3
149.04587	2.4
151.04013	3.9
152.04764	5.6
159.02936	1.6
161.02455	16.3
161.04562	4.1
165.05688	1.7
166.02783	1.6
167.03470	2.9
171.10176	1.6
173.04510	4.3
173.05937	1.2
176.04842	7.9
179.03476	21.1
179.05618	3.1
179.82996	1.2
181.05142	1.5
191.05640	11.1
191.07146	2.9
194.05865	21.5
195.06133	1.6
197.04514	2.8
209.08203	59.7
210.08499	4.1
212.06908	10.4
212.55864	1.1
215.09233	3.2
223.07660	1.7
227.07170	2.5
227.09245	29.8
251.07054	1.4
260.97089	2.3
269.08246	3.9
389.09262	2.5
389.14328	18.0
390.14874	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	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
62.62805	0.9
71.01379	2.2
71.46070	1.3
71.46409	1.4
72.99316	13.9
73.02952	10.7
74.03247	1.0
75.00880	79.7
75.67372	0.9
110.51402	1.0
129.34621	1.0
145.29909	1.0
351.58490	1.1
387.31177	100.0
388.31540	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	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.2
70.88840	5.9
71.01382	13.7
81.65869	2.1
85.02969	5.3
87.00881	3.7
89.02446	5.0
93.03482	3.0
99.00886	13.4
101.02444	4.3
106.99147	2.2
108.02196	2.4
113.02459	2.5
118.49657	2.2
121.70969	2.1
134.03708	5.0
143.88940	2.0
145.02983	3.1
146.03777	3.4
147.04582	3.6
148.05276	7.2
149.06178	3.4
159.03008	3.3
159.04433	2.4
160.05295	10.0
161.02399	3.5
161.06039	3.1
162.03241	21.1
163.03966	2.9
163.07736	2.6
163.60533	2.3
172.05385	2.8
173.04642	5.4
173.06091	10.6
174.03127	2.7
174.34415	1.9
175.04005	5.3
175.07658	2.8
176.04819	6.5
177.05569	39.6
178.06268	5.2
183.35173	2.0
184.05322	6.9
187.03952	4.7
188.04805	23.0
189.05469	4.7
190.02750	7.3
190.06357	8.7
191.05630	11.1
191.07187	4.7
201.05533	2.5
202.06340	11.8
203.03337	3.3
203.07137	10.3
203.47447	2.3
204.04311	13.0
204.07356	2.4
205.05104	11.8
207.06648	3.6
216.04236	3.7
217.08702	34.9
218.09099	3.0
219.02992	3.4
219.06624	46.9
220.07050	3.2
221.08220	23.6
231.06635	17.9
233.04477	5.4
235.06113	14.4
247.05914	2.4
249.07715	30.7
250.08018	2.5
251.05600	22.9
265.07166	9.7
276.65579	2.4
291.08743	8.8
293.03632	4.2
293.06717	49.2
294.07214	4.2
309.09775	9.1
313.12082	2.2
353.08759	100.0
354.09073	12.4
378.40057	2.2
389.06387	20.1
389.18124	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82345	0.5
53.33609	0.5
55.01885	5.4
55.68517	0.5
56.90268	0.5
57.03457	4.7
58.00597	2.7
59.01385	61.6
60.01698	0.7
69.03469	1.6
69.28526	4.2
71.01389	100.0
72.01725	1.3
72.99323	4.3
73.02953	27.3
73.23952	0.7
75.00862	1.8
81.03459	0.7
83.01393	13.1
85.02959	42.5
86.03311	0.8
87.00882	5.3
87.98778	0.7
89.02454	34.5
93.03478	1.0
95.01401	6.3
97.02963	2.1
99.00889	11.2
99.04479	0.7
101.02453	75.3
102.02813	1.5
111.00851	0.6
113.02462	43.9
114.02836	1.3
119.03517	16.8
123.08178	0.7
124.01646	0.6
125.02477	1.8
127.23366	0.6
129.01991	1.6
131.03558	1.3
139.00391	0.7
143.03516	5.2
149.04449	0.7
153.09236	0.7
154.52512	0.7
156.72961	0.6
159.03018	9.3
161.04572	43.5
162.04938	1.2
163.11368	1.2
165.09218	1.1
173.04596	2.6
173.11546	0.7
177.35863	0.6
179.04353	0.5
179.05637	3.2
181.12357	2.3
189.12875	1.4
201.11945	0.6
205.03545	0.6
207.13934	4.1
225.07637	1.0
225.14948	6.1
225.29660	0.6
316.11069	0.6
343.17633	0.8
348.86539	0.7
387.11768	1.2
387.16467	2.3
387.20453	19.7
388.16385	0.6
388.20871	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.3
55.30528	0.2
57.03455	6.1
58.00591	1.8
58.03787	0.2
58.97019	0.2
59.01384	31.3
60.01729	0.3
62.06440	0.2
66.91145	0.2
69.03477	0.7
69.53559	1.3
71.01388	48.1
71.05026	2.8
72.01733	0.6
72.99306	1.7
73.02954	10.5
74.03286	0.2
75.00887	0.8
75.07473	0.2
81.03474	0.9
83.01393	4.2
83.05038	0.4
84.02170	0.2
84.14415	0.2
85.02958	18.6
86.00059	0.2
86.03298	0.4
87.00877	1.9
89.02454	19.9
90.02783	0.4
93.03480	0.3
95.01399	3.3
95.05035	2.1
97.02959	3.2
98.03738	0.3
99.00894	4.9
99.04531	0.5
99.08195	0.7
101.02452	26.6
102.02804	0.8
106.23770	0.2
109.06624	1.7
111.00900	0.4
111.04538	1.5
113.02458	19.8
113.06108	0.5
113.09715	0.4
114.02782	0.5
115.04008	0.3
116.36607	0.2
119.03510	6.5
121.06601	0.3
122.03749	0.7
123.08183	1.4
125.02465	0.8
125.06091	0.7
129.02017	0.4
131.03511	0.6
132.82552	0.2
135.08189	0.6
136.05310	0.9
137.06102	1.1
137.09743	1.7
138.06880	28.7
139.07182	1.3
143.03510	2.2
149.04576	0.6
149.09706	0.3
150.06889	0.7
151.07634	0.8
152.08492	0.5
153.09224	68.7
154.09558	3.7
155.10786	0.6
159.02991	3.6
161.04570	20.1
162.04935	0.7
163.11278	0.8
165.12827	1.2
179.05598	1.7
192.11588	0.7
205.03574	0.3
207.13916	6.4
208.14221	0.3
221.03226	0.2
225.14972	100.0
226.15309	6.9
238.03770	0.2
269.33752	0.2
385.20004	0.2
387.20282	4.3
388.20828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81825	32.4
59.01381	91.2
62.40411	35.4
71.01407	33.7
98.20653	100.0
138.12062	28.1
138.29941	29.7
140.42113	30.2
184.96207	38.1
223.95377	31.9
253.17210	34.5
355.71356	32.4
387.29645	58.8
414.49582	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.9
59.01381	5.5
61.98841	6.6
71.53850	1.3
95.05051	1.7
97.06093	1.1
97.06618	9.4
102.82977	1.2
117.32947	1.1
123.08170	6.3
125.09735	100.0
126.10067	5.3
128.74684	1.3
143.10786	86.0
144.11160	2.6
162.68956	1.6
169.08713	3.4
187.08130	2.2
187.09772	36.2
187.11415	2.4
207.09111	1.4
243.10126	2.2
243.12387	27.6
244.12695	2.4
251.24049	1.5
261.10959	2.2
261.13480	19.2
297.24384	3.3
359.24313	2.2
367.17694	1.4
387.15155	2.3
387.24417	13.5
387.29385	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	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03442	2.6
59.01388	9.0
61.98812	1.1
69.03446	1.1
69.44952	0.7
69.55390	3.6
69.55798	1.9
71.01387	36.5
72.01717	0.8
73.02953	11.7
73.14162	0.8
78.95910	2.0
81.48900	0.8
83.01385	3.6
85.02959	16.4
87.00872	2.5
89.02454	43.1
93.03456	1.4
95.01392	4.6
99.00889	4.3
99.13899	0.8
101.02439	19.2
107.04988	0.9
108.02183	100.0
109.02991	30.9
110.03303	1.3
113.02451	14.1
120.99666	1.2
121.02947	2.4
123.00883	2.2
123.04507	2.7
133.02946	2.6
135.04550	1.2
137.02435	1.8
143.03506	3.0
151.04036	6.9
153.01886	1.0
159.03001	4.8
161.04573	49.1
162.04918	1.3
163.03973	2.5
165.05530	3.3
170.77406	0.9
173.04578	1.3
177.01982	1.2
191.05579	2.4
192.04337	0.9
194.19302	0.8
195.06639	1.1
204.45543	0.8
207.06572	0.9
225.07619	3.6
271.08240	14.4
272.08472	1.0
354.85739	0.9
387.08838	1.5
387.13242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85712	1.1
57.47759	1.2
59.01382	100.0
61.98839	4.4
71.01386	17.6
72.92683	1.3
72.99341	1.4
73.02947	2.7
77.16361	1.2
85.02953	5.3
87.00885	2.5
89.02456	10.7
95.01421	2.1
99.00896	1.3
101.02470	11.6
101.61465	1.6
113.02473	7.7
115.46850	1.3
119.03522	2.9
121.02964	1.6
138.03166	2.7
139.00328	2.6
139.04051	3.0
149.02464	3.4
153.05560	2.8
154.02719	2.7
161.04547	5.6
163.11320	6.3
164.04893	1.6
165.09203	17.4
173.04507	4.0
177.01924	11.8
183.03093	1.6
191.05612	1.8
192.04297	9.2
194.02254	7.6
195.02876	2.8
195.06624	1.4
207.06607	3.8
209.04591	11.2
210.05272	4.5
211.06181	1.3
222.11160	1.4
225.07799	6.5
265.43713	1.9
328.67322	1.3
372.10577	4.0
387.12885	56.0
387.16833	14.2
388.13037	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71873	1.4
55.01900	1.7
55.56759	1.2
57.03444	1.1
58.00601	2.9
59.01385	70.1
61.98541	1.4
61.98840	24.7
64.47198	1.0
69.03458	8.9
71.01389	87.2
71.05026	1.0
72.01704	1.8
72.99309	3.6
73.02959	13.5
75.00876	2.5
78.95908	1.2
81.03436	5.6
83.01382	7.9
83.05030	1.5
85.02953	12.5
87.00867	3.9
89.02454	100.0
90.02789	1.8
93.03470	58.8
94.03797	2.0
95.01392	2.5
97.02968	12.9
98.73881	1.1
99.00897	18.6
99.04542	2.7
101.02451	22.1
111.00837	2.2
113.02480	10.3
115.04017	8.2
119.03506	4.4
125.02462	43.6
126.02784	1.7
127.03927	1.3
131.03543	10.6
134.66006	1.1
137.09666	1.2
143.03516	4.0
149.04572	15.1
150.03125	1.2
159.04507	1.4
161.04547	4.8
161.06078	4.2
165.05571	4.1
165.09235	3.2
173.04538	3.5
177.01918	2.5
191.05626	12.3
192.04321	1.5
192.05991	1.1
207.06648	1.5
213.11328	1.4
225.07629	1.3
225.14894	1.7
233.06686	37.0
234.06906	1.9
254.61441	1.3
293.08810	43.2
294.09140	1.9
357.21988	1.3
385.33377	1.3
387.12637	3.7
387.17044	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	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.7
59.01380	6.8
61.99556	1.5
66.92619	1.6
68.55545	1.5
69.27703	9.9
69.28130	5.7
71.01386	6.3
87.00881	5.2
89.02431	2.2
92.71606	1.9
97.07520	1.7
98.19844	3.0
101.02432	4.8
108.02174	3.3
109.16575	1.7
113.02489	2.3
123.04506	1.9
136.01653	3.6
137.02470	3.3
149.02452	4.9
151.04036	4.1
161.04556	5.7
164.01187	4.4
165.01926	31.1
177.01958	23.6
178.02440	2.4
179.01904	3.1
179.03496	63.3
180.04282	28.6
192.04289	10.7
194.05856	19.2
195.02968	7.1
195.06631	100.0
196.06931	4.1
207.06721	2.7
210.05357	7.1
213.09444	1.9
225.07726	35.0
273.97134	1.8
331.97974	2.1
354.69910	1.7
357.11993	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	387.1089
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
53.93950	0.6
59.01374	2.3
65.00337	0.8
70.86169	0.9
70.86494	1.0
71.01385	1.2
89.02479	1.1
89.04005	1.3
91.01907	5.9
93.03461	0.8
96.99330	6.5
101.83173	0.6
108.02232	0.9
109.02972	5.5
117.03474	3.0
121.02969	2.1
123.04530	9.0
124.01630	1.0
127.20521	0.6
134.02734	1.6
134.03760	30.6
135.04036	1.1
137.02498	1.6
145.02982	4.1
146.03751	11.3
147.04568	3.9
148.01668	1.0
148.05263	0.8
149.06097	2.9
158.03758	8.8
159.04523	16.5
160.01675	1.6
161.06104	6.1
163.04045	1.9
164.06435	0.7
173.02431	0.8
173.06105	5.2
174.03201	1.4
175.04045	2.0
178.02783	3.2
187.04013	1.2
193.05075	9.7
239.07117	1.0
241.05046	2.2
249.05569	1.5
250.06345	1.4
256.07523	1.5
265.16162	0.7
266.05865	5.5
267.06613	6.7
268.07358	3.6
269.08148	1.3
271.09833	1.5
277.04984	1.4
278.05710	0.9
281.08206	10.8
282.08963	5.1
283.09705	3.9
284.10446	2.9
294.05405	1.1
295.02997	1.2
295.06143	12.8
309.07602	2.1
310.08463	11.2
325.10840	8.2
326.11148	1.0
343.11932	1.2
354.07492	1.5
369.09814	5.2
387.10883	100.0
388.11224	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03458	4.8
58.00598	1.8
59.01385	100.0
60.01720	1.2
69.03464	1.7
69.29749	1.5
69.30166	4.5
71.01390	36.7
72.99326	1.7
73.02957	7.0
75.00895	0.7
83.01403	3.9
84.02236	0.6
85.02955	13.8
86.00135	1.3
87.00895	3.2
89.02451	14.5
95.01404	3.2
97.02986	1.1
99.00896	4.8
99.04559	0.6
101.02451	17.7
107.05036	0.9
107.75829	0.6
111.08134	1.5
113.02459	13.2
115.70065	0.6
119.03535	4.8
125.02420	0.6
129.02014	1.3
135.08241	0.7
137.09784	1.7
149.06100	0.7
159.02959	1.6
161.04567	4.8
161.09779	1.2
163.11288	13.0
163.12547	1.1
164.03479	0.7
164.11697	0.8
165.09261	2.8
171.08191	1.0
181.12360	26.6
182.12769	1.6
187.11305	3.5
189.12819	4.9
190.10033	5.7
191.05679	0.7
204.11572	1.7
205.12364	7.4
206.12593	0.7
223.13509	2.0
229.12506	1.0
247.13498	2.0
259.74658	0.6
294.06412	1.2
309.08868	1.4
341.11646	1.4
385.18723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1088
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
51.70691	0.5
56.18993	0.5
59.01363	0.5
65.00334	0.9
68.09979	0.5
71.01397	0.7
89.03970	1.0
91.01923	5.2
94.76083	0.5
96.99317	6.8
98.19767	1.0
108.02187	1.1
109.02959	6.0
110.05669	0.5
111.00909	0.5
117.03494	3.1
121.02953	1.6
123.04529	8.4
124.90228	0.5
133.02930	0.9
134.03758	29.7
135.04117	1.0
137.02423	1.4
145.02948	4.6
146.03740	12.4
147.04568	5.7
148.01683	1.3
148.05292	1.6
149.06123	3.2
153.05589	0.8
158.03740	9.0
159.04529	18.2
160.01666	1.4
160.04884	0.9
161.06068	5.6
163.04010	3.1
173.06075	5.3
174.06313	0.6
175.04008	2.2
178.02699	3.7
187.03961	1.7
193.05078	9.7
229.23849	0.5
239.07104	1.2
241.05090	1.5
249.05547	1.1
250.06268	1.6
251.07016	0.5
252.07855	0.7
253.04933	0.8
256.07404	1.5
265.08792	0.9
266.05847	6.6
267.06641	6.4
268.07303	3.1
269.08188	1.6
271.09857	1.9
277.05249	1.3
280.07385	1.5
281.08215	12.7
282.08853	5.0
283.09799	4.3
284.10339	3.1
294.05392	1.3
295.06131	14.2
296.06439	1.2
297.11533	0.6
309.07565	2.7
310.08438	11.8
311.08960	0.7
325.10825	9.0
326.11169	1.2
339.05099	0.8
343.11981	0.6
354.07581	2.2
369.09839	4.7
370.09940	0.7
387.10867	100.0
388.11188	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	385.1872
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.28793	0.8
51.44568	0.9
55.01882	2.8
55.02125	0.7
57.03447	3.3
58.00602	5.5
59.01384	100.0
60.01720	1.2
69.03489	2.1
69.48998	5.7
69.63385	0.8
71.01389	76.6
72.01694	1.0
72.99310	5.7
73.02956	8.5
75.70627	0.8
77.56373	0.8
83.01398	5.0
83.05025	3.6
84.02219	1.0
85.02957	20.5
85.06594	1.4
87.00878	8.0
89.02451	82.6
90.02840	1.1
93.03477	1.0
95.01412	4.6
95.05042	1.7
97.06607	2.3
98.19927	1.6
99.00900	2.7
99.04534	6.6
101.02453	50.5
109.06591	6.2
111.04552	1.7
111.08175	1.1
113.02460	30.0
113.06100	29.9
114.02824	1.9
119.03516	38.5
125.06090	1.9
125.09731	1.7
127.07748	1.1
131.03467	2.4
137.06161	0.9
139.07637	4.6
143.03488	4.5
149.04538	2.1
151.07707	1.2
153.09239	7.1
159.02957	1.9
161.04561	9.1
177.12784	1.3
179.05632	5.8
187.11296	1.2
190.10013	2.1
191.05579	1.7
205.12361	10.8
206.12697	1.1
223.13400	45.3
224.13696	3.2
224.73029	0.8
306.12222	0.9
377.55762	0.8
385.18628	12.9
385.22687	0.8
386.19305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.32354	1.1
55.01881	1.2
58.00596	3.9
59.01385	100.0
59.98532	1.9
69.76025	1.9
69.76424	5.6
71.01390	60.1
72.99313	5.0
73.02963	1.0
78.95996	1.0
83.01378	1.8
85.02959	11.9
87.00890	3.4
89.02451	86.3
90.02780	1.4
95.01391	4.8
99.04512	9.9
101.02454	35.3
101.03115	2.3
113.02454	24.8
119.03510	36.7
131.03497	3.0
143.03513	3.3
149.04561	2.6
160.92168	1.0
161.04538	2.8
161.13301	3.2
179.05630	8.3
183.13872	1.2
205.12352	49.9
206.12675	4.4
211.13409	2.4
229.14488	1.1
233.11604	2.1
327.21741	6.3
349.19901	2.2
385.18130	6.0
385.22324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00167	0.7
55.01878	2.1
57.03457	3.9
58.00590	2.8
59.01385	63.6
59.86209	0.8
69.03492	0.7
70.68767	0.8
70.88758	1.7
71.01388	70.6
72.01729	1.5
72.99308	2.6
73.02953	13.5
75.00906	1.3
81.73156	0.9
83.01397	5.3
83.05041	1.0
85.02961	21.4
87.00883	2.4
89.02451	39.6
95.01400	4.3
95.05049	2.0
97.02957	5.4
99.00910	4.7
101.02454	30.9
102.02788	0.9
105.07108	1.9
107.05035	1.3
108.05839	3.1
109.06611	0.8
113.02460	25.3
113.06103	4.5
114.02816	1.1
119.03520	14.3
122.03741	1.9
123.08208	3.6
125.02422	1.0
125.06094	3.6
131.03484	1.1
135.08099	0.8
136.05324	3.2
137.06126	1.4
138.06880	21.2
138.07881	1.5
139.07684	10.0
141.67940	0.6
143.03531	2.9
147.08211	0.7
149.04573	0.7
149.06119	0.8
151.06430	1.1
151.07661	23.0
152.04828	2.8
152.08444	47.1
153.09229	100.0
154.09555	5.4
159.03029	3.6
161.04575	18.7
163.11333	2.8
165.09258	1.2
167.07109	1.4
179.05638	2.4
189.09250	1.5
190.10077	1.5
205.12341	32.4
206.12639	3.4
223.13388	15.5
223.15373	1.3
224.13850	1.5
227.50298	0.7
271.02405	1.0
304.07040	2.8
369.43369	0.7
377.75320	0.7
385.18668	10.3
386.18948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
61.10212	0.5
65.75438	0.5
69.67033	0.5
70.88361	1.3
71.01391	0.6
90.05424	0.6
93.03478	0.7
113.00078	0.6
121.02962	9.8
122.03313	0.8
127.65281	0.5
134.03754	0.6
135.04549	1.7
149.02455	75.6
150.02797	3.9
151.03978	0.8
151.07397	0.6
152.01213	2.8
163.04015	3.7
164.04808	69.7
165.01984	0.7
165.05119	2.9
169.05107	1.5
171.96902	0.6
179.07143	22.7
180.07544	1.2
189.05702	0.5
191.03586	0.7
193.01428	8.0
204.07800	0.6
208.03784	20.9
209.04134	1.5
210.60669	0.5
223.06125	100.0
224.06451	5.3
230.66016	0.8
265.07184	2.2
343.12500	0.6
347.61041	0.6
361.00085	0.7
385.11298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70213	0.7
57.03454	15.7
59.01384	100.0
60.01706	1.1
60.64237	1.0
61.95143	0.9
69.55702	4.7
71.01391	7.5
73.02946	2.1
77.83310	0.8
82.19485	0.8
85.02949	3.5
87.00832	1.3
89.02451	9.2
93.03457	2.3
96.96004	0.8
101.02453	7.3
106.82656	0.9
107.05032	1.4
108.02177	4.7
109.02930	2.5
113.02451	5.5
121.02962	3.0
135.04515	2.4
137.06073	2.0
143.04596	1.1
149.02461	12.8
151.03990	1.6
152.01154	1.8
159.02948	1.8
161.04568	11.8
162.04887	0.9
163.03964	1.4
163.06325	1.9
163.07672	35.6
164.04813	8.5
164.07909	2.3
165.01974	1.0
173.04604	2.1
179.07086	2.9
181.05089	6.3
191.05606	2.2
193.01436	4.6
203.52922	0.7
208.03783	9.5
216.01817	0.8
223.06149	30.0
224.06494	2.6
224.38820	0.9
224.41484	0.8
261.01630	1.1
271.08188	1.5
285.12454	1.4
329.16995	0.9
366.58762	1.0
385.10947	1.6
403.43945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
54.00314	1.1
57.03450	5.2
59.01384	30.3
59.29390	1.0
59.62112	1.0
61.04779	0.9
69.64021	5.0
71.01382	7.2
72.44498	0.9
73.02930	2.5
85.02962	1.2
89.02439	4.2
93.03491	1.8
101.02433	4.4
108.01601	0.9
108.02190	7.6
109.02945	3.4
113.02451	3.9
121.02969	7.4
135.04521	3.7
137.02483	1.2
137.64294	1.0
137.65417	1.1
149.02449	45.1
150.02748	2.8
151.04030	2.5
152.01143	6.0
161.04552	7.8
163.03979	4.6
163.07645	10.9
164.04799	33.9
165.01913	2.4
165.05020	1.3
169.05060	3.0
173.04492	1.4
179.07153	11.4
181.05093	2.5
191.05644	1.3
193.01418	19.3
208.03786	42.8
209.04039	2.6
211.13651	1.4
223.06128	100.0
224.06418	8.5
271.08151	2.1
320.96341	1.4
361.30322	1.1
385.11139	2.0
385.16046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79738	1.1
57.03437	1.8
59.01373	4.1
61.98837	63.0
61.99165	3.0
69.53653	8.2
72.33139	1.3
72.99301	1.5
76.19308	1.6
83.58210	1.4
84.41892	1.2
84.61771	1.3
96.25318	1.5
96.96019	2.0
111.08155	2.9
203.23029	1.5
225.18311	1.9
253.21745	13.4
273.18414	3.9
280.27365	3.8
293.20953	2.8
305.17407	4.7
309.24319	2.6
321.20493	100.0
322.20926	11.8
338.20624	1.5
340.29324	2.4
341.27072	2.2
349.27402	1.5
353.23257	4.8
384.14410	2.4
384.18619	11.6
384.28363	6.0
385.18958	2.1
385.25748	4.9
385.29706	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	383.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29158	1.4
57.39091	1.5
59.01387	100.0
63.35529	1.6
69.58553	1.5
71.05052	2.5
71.55208	2.6
73.02987	1.9
98.95569	1.7
232.67249	1.5
295.29944	2.7
321.31546	2.1
323.29565	7.2
324.29572	1.8
337.34705	5.5
378.45029	1.6
383.23187	3.4
383.35602	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	383.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34402	1.0
51.64038	1.0
53.06888	0.9
57.03443	3.4
59.01387	31.8
59.71139	0.9
61.98862	1.1
67.11002	1.1
71.01372	2.2
71.05018	2.6
71.56103	1.8
75.27070	0.9
78.95915	14.7
85.02950	1.6
85.94041	1.0
90.97132	2.3
96.96972	31.6
99.00882	1.2
101.02410	1.2
113.02455	1.3
114.93433	1.2
160.97771	1.2
174.99240	4.0
202.80670	1.0
223.20653	1.8
237.22234	5.6
249.78441	1.0
250.47392	0.9
253.21779	1.9
255.16077	1.3
265.21649	3.9
277.25281	2.7
283.22778	3.8
293.24747	6.2
295.26370	3.1
299.11856	1.3
303.23267	1.4
307.18811	2.8
319.12070	1.6
321.24390	10.4
337.13269	7.8
339.14932	10.0
339.25406	53.3
340.25681	5.8
341.16449	9.3
353.16476	2.2
355.17862	1.3
365.23383	4.0
381.12299	1.4
383.17493	100.0
383.24319	36.0
383.28244	3.4
384.18018	10.5
384.24597	4.5
385.15298	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	383.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
59.01384	6.5
61.98841	2.8
71.01423	1.5
71.05034	1.8
71.55829	1.8
72.99329	2.1
75.00873	2.2
75.58463	1.2
81.88944	1.1
89.46681	1.1
94.59676	1.1
96.95898	1.2
99.00906	2.0
99.04540	1.5
101.02474	1.2
221.33281	1.2
229.40906	1.3
265.25369	2.1
281.24817	3.2
295.26309	1.6
303.26929	3.9
321.28003	38.7
322.28455	3.7
323.25876	2.1
337.27472	3.6
339.29132	8.7
341.26981	7.9
347.25952	42.0
348.26263	4.8
365.26993	100.0
366.27377	12.6
383.28000	38.4
384.28461	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	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65839	0.9
55.01885	6.4
57.03430	3.3
58.00582	1.8
59.01382	52.3
60.01678	1.2
61.98824	2.0
62.98671	1.0
69.03441	2.5
69.50269	6.8
71.01389	86.0
72.01705	2.1
72.99303	4.8
73.02953	33.2
75.00868	3.1
83.01388	12.0
85.02460	2.1
85.02956	37.0
87.00874	5.1
89.02450	34.2
93.03470	5.5
95.01377	4.4
97.02931	5.6
99.00886	20.2
101.02449	70.1
102.02786	1.8
111.00879	2.8
113.02456	33.7
115.04025	3.0
119.03483	4.9
125.02466	9.0
129.01949	1.7
131.03537	5.3
135.04468	1.5
139.04015	1.2
143.03476	5.2
147.04582	1.9
149.04553	7.9
159.03041	6.3
161.04562	40.7
162.04860	1.2
173.04538	7.6
191.03445	4.1
191.05643	6.3
209.04585	7.2
221.10274	7.3
233.06694	6.6
238.90744	1.0
251.11363	85.8
252.11684	4.4
274.54633	1.0
293.08746	2.7
296.07013	1.2
341.11002	1.4
343.68353	1.3
383.10272	5.6
383.15543	100.0
384.15854	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	383.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
57.03442	4.1
58.00603	1.8
59.01389	50.0
61.98817	1.8
63.74096	1.0
64.19071	1.0
69.03436	1.5
70.49871	0.9
71.01390	39.8
71.56973	1.6
71.97932	0.9
72.26221	0.8
72.99305	2.9
73.02614	1.3
73.02966	13.7
75.00884	5.5
75.41479	1.0
81.03483	1.7
83.01385	7.4
83.05043	1.2
85.02959	19.3
87.00903	3.6
89.01999	1.3
89.02461	11.2
93.03493	1.2
95.01387	3.3
99.00887	5.7
101.02454	35.4
102.02835	1.2
107.05052	1.5
113.02473	16.2
119.03525	3.0
121.06586	3.8
121.10249	1.2
122.06120	1.1
123.04534	2.8
125.02486	1.7
129.02003	5.7
137.09741	39.9
138.10065	3.1
143.03548	1.7
147.08186	4.6
159.02957	2.2
161.02458	1.3
161.04591	4.9
161.09793	1.7
163.07652	2.5
163.11308	62.8
164.11621	3.4
172.78543	1.0
173.04590	3.4
179.07158	1.4
187.07683	8.7
187.11316	1.8
188.08260	1.5
196.58032	1.1
201.09235	1.1
203.10799	100.0
204.11130	5.6
205.08678	1.3
219.05159	2.2
221.11813	13.6
233.38416	1.0
255.44167	1.0
365.16168	19.8
366.16336	3.1
383.17157	82.6
384.17465	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	383.1138
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
53.53372	1.0
57.03442	5.7
59.01400	5.2
63.02413	2.3
65.00336	19.0
71.01390	2.3
71.87398	1.2
75.68134	1.0
81.03462	4.0
83.01389	11.2
83.17912	1.0
85.02966	1.0
89.02448	1.5
94.97121	1.1
95.05064	1.3
101.02460	1.2
107.01408	23.4
113.02406	1.1
123.04536	19.4
125.02461	47.2
151.00383	100.0
151.03981	2.9
151.07661	1.8
152.00714	3.4
158.03731	2.4
159.04532	3.9
167.03520	37.7
168.03816	1.4
172.05327	7.6
173.06108	4.5
187.04041	3.3
187.07657	76.9
188.08009	3.6
200.04744	1.2
201.05597	13.1
202.04533	2.1
202.06375	28.4
203.06844	2.3
204.04326	1.6
213.09206	1.6
215.07106	10.4
216.07709	1.9
231.10268	24.2
237.30069	0.9
257.08276	4.3
276.58124	1.1
321.20447	2.0
339.08746	20.9
339.12524	2.3
339.21649	2.2
340.09052	2.6
365.10291	4.4
365.19894	1.6
383.11353	13.1
383.20865	4.6
383.25070	1.5
384.11417	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	383.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11379	1.4
52.38108	1.4
57.77721	1.6
70.06370	7.4
70.06684	1.5
78.95895	3.6
85.02970	9.0
96.96980	4.9
97.95718	1.4
127.04016	4.0
191.05621	100.0
192.05945	2.7
308.19861	1.5
367.42709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65316	1.0
59.01368	1.0
62.55599	1.0
70.52533	3.1
78.95914	2.4
80.26824	1.0
85.02953	7.5
87.00893	1.6
93.03452	2.9
96.96963	3.4
127.04021	2.4
173.04582	1.4
191.05620	100.0
192.05939	3.9
231.09615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81865	7.0
55.60568	6.9
59.01387	56.1
61.98825	9.0
71.01389	18.2
71.32407	14.8
78.48824	7.4
83.05019	8.5
85.02936	11.7
88.17290	7.4
89.02435	10.5
93.03474	18.1
96.95989	6.8
98.68828	6.8
101.02433	11.4
111.04535	9.6
113.02420	12.9
133.03006	9.8
135.04530	21.0
137.02426	9.2
161.02487	13.8
162.02797	9.4
164.04797	100.0
173.04483	23.6
176.03975	8.2
179.03494	24.5
179.07118	97.0
191.05574	20.5
209.11800	16.2
222.77109	8.1
231.62347	7.8
383.14090	10.4
383.20862	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	383.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31071	1.3
50.58353	1.2
57.03455	5.7
59.01373	7.0
62.93508	1.3
63.02413	2.4
65.00331	17.2
69.03448	1.7
71.01388	3.1
71.56867	1.8
81.03483	6.9
83.01400	14.3
87.00861	1.6
89.02466	2.1
99.04536	1.8
102.07907	1.5
107.01398	22.7
113.02431	2.9
123.04537	20.2
125.02460	43.4
133.66029	1.4
136.07487	1.5
142.90532	1.2
146.03781	1.4
151.00386	100.0
151.04025	3.9
151.07642	1.7
152.00735	3.6
158.03787	2.0
159.04530	3.8
161.02335	1.5
167.03517	39.0
167.04945	2.2
167.22467	1.4
169.01466	2.4
172.05342	7.2
173.06105	6.6
184.94180	1.3
187.04016	3.8
187.07677	71.6
188.08015	5.0
200.04869	1.9
201.05574	12.3
202.06367	28.4
202.08218	1.5
203.06784	2.3
204.04504	2.1
213.09247	1.4
215.07169	12.2
216.07890	1.7
220.85522	1.3
229.08635	1.7
231.10309	23.0
232.10585	2.9
257.08191	4.4
310.04675	2.1
339.08755	18.8
339.21722	1.6
340.09225	3.0
341.10764	1.5
365.10278	6.0
383.11331	14.0
383.20496	2.7
383.24799	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	383.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70137	0.7
55.01870	1.8
57.03441	2.0
58.00568	0.8
58.02980	0.7
59.01384	21.5
61.98829	1.1
67.01896	0.9
69.03461	0.8
69.92557	2.8
71.01387	28.3
72.99315	17.4
73.02951	7.7
83.01391	5.8
83.05025	1.1
85.02959	13.2
86.03320	0.6
87.00868	1.6
89.02455	5.8
93.03460	6.8
95.01377	2.0
96.39957	0.6
97.02937	1.1
98.20569	1.1
99.00884	3.3
101.01807	1.3
101.02454	21.2
103.05553	1.4
109.02930	1.8
111.00878	1.3
111.04557	3.4
113.02459	11.1
119.05003	4.4
120.66250	0.6
125.02453	1.1
129.01956	1.7
133.02998	0.9
135.00986	0.7
135.04530	4.4
137.02444	1.8
143.03523	2.1
147.04529	18.8
148.05104	1.1
149.04587	0.7
149.06065	1.4
155.03461	4.1
159.02959	2.1
161.04556	12.7
163.04019	3.4
163.07607	0.7
165.01909	1.8
166.24066	0.7
173.04581	13.6
175.03897	0.7
191.03525	54.7
191.05498	4.5
192.00708	0.8
192.03943	3.2
205.03574	0.7
206.05882	2.5
209.04561	100.0
210.04897	6.3
221.04660	1.7
221.08153	4.8
246.98848	0.8
251.11369	41.6
252.11659	3.3
323.13583	1.4
323.17197	4.0
365.08954	0.9
383.09894	34.6
383.15155	2.5
383.19098	1.3
384.10242	3.7
384.16437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91337	2.5
59.01375	19.6
60.99309	5.2
67.01884	5.3
68.99827	4.1
69.03496	2.8
69.84814	14.4
71.01392	19.2
72.99318	25.2
73.02938	5.6
73.83103	2.6
75.00879	4.1
77.33927	2.5
85.02961	18.0
86.00101	3.5
87.00902	17.6
89.02431	5.0
90.04830	2.9
93.03465	35.2
99.00885	6.8
101.02434	4.3
109.02952	4.5
111.00860	14.4
111.04556	6.1
112.98822	47.3
113.99590	17.2
115.00384	3.0
119.05039	10.7
124.98875	4.1
127.04057	4.5
128.01157	7.3
129.01970	6.6
134.03778	4.9
137.02444	5.5
141.99103	14.5
142.99866	6.8
145.02957	6.6
147.04517	4.8
149.02419	5.2
150.03255	16.7
155.03540	4.0
161.02441	22.8
161.04556	3.2
163.04018	7.7
165.05536	8.3
171.98724	5.2
172.00151	79.5
173.00769	6.2
173.04579	46.2
176.04778	16.4
177.01886	2.9
177.05447	3.1
179.03532	35.4
179.07239	3.4
191.03540	22.6
191.05617	96.7
191.07135	7.7
192.05908	6.4
193.05028	4.1
194.05846	51.9
207.05016	16.3
209.04625	36.0
209.08211	100.0
210.08543	3.6
221.04591	6.3
221.07904	2.6
235.06111	3.1
235.98788	2.8
247.06041	3.3
265.07050	7.4
279.08762	17.8
296.07114	4.0
323.04092	4.4
323.07751	56.2
324.08038	5.3
339.10791	7.2
353.08783	10.0
383.05328	3.3
383.09842	66.2
383.14163	4.9
383.17966	5.9
384.10092	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	382.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
71.41974	2.2
71.56343	4.5
90.23739	2.1
98.01047	2.1
102.66965	2.4
122.00924	2.6
160.28070	2.2
182.73671	2.1
187.37752	2.5
199.89516	2.2
211.20654	2.5
249.50056	2.2
289.70532	2.6
295.26550	2.4
321.27457	2.3
325.18350	3.5
339.29025	9.2
365.26852	3.0
383.27640	19.9
383.31848	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	383.0777
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
51.02562	1.1
51.05732	1.0
59.01389	4.5
61.98843	1.2
71.01383	2.0
71.55255	1.5
83.01424	1.2
92.75084	1.0
93.03518	1.2
93.93607	1.0
101.02501	1.3
113.02498	1.1
116.92791	1.0
119.05002	1.3
121.02970	100.0
122.03317	4.9
147.04617	2.2
149.02431	1.6
177.20317	1.1
180.05818	1.6
181.06577	5.8
191.03554	10.0
225.05615	8.2
251.07191	3.1
295.06107	12.6
296.06314	1.4
311.09250	13.7
312.09650	2.0
313.07205	21.6
314.07581	1.5
321.24295	2.0
339.08780	15.4
339.25659	1.1
340.09146	2.1
365.23355	1.6
383.07687	22.6
383.12039	1.8
383.24344	9.2
383.28860	2.8
384.08020	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	383.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58341	2.4
70.58719	1.7
71.93970	1.2
72.89188	1.0
72.97121	1.3
72.99310	1.4
74.35349	1.2
74.70541	1.1
78.62121	1.1
80.03484	1.2
85.02949	9.0
87.00857	1.2
87.88651	1.2
93.03467	4.2
104.70902	1.3
109.02892	1.4
127.04003	1.5
147.04553	1.3
173.04564	3.6
191.03696	6.3
191.05629	100.0
192.05954	4.5
209.04562	10.6
210.04825	1.5
334.31564	1.5
383.09985	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	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42721	1.0
52.11906	1.2
59.01383	6.9
61.98831	2.3
66.91183	1.1
71.01414	1.4
71.56507	1.6
78.95912	6.5
112.12682	1.0
116.28327	1.1
134.18192	1.0
151.07672	2.1
152.99582	10.7
170.05844	4.2
198.82587	1.1
199.13416	2.2
217.00383	5.4
217.33740	1.1
226.43097	1.0
233.19148	2.3
235.20717	1.8
251.20273	3.0
253.18124	1.5
277.18103	76.5
278.18481	6.9
279.19638	23.2
280.20068	1.7
295.19159	100.0
296.19513	8.1
309.24304	4.2
319.26498	2.7
337.23737	1.6
337.27560	2.4
340.13702	1.2
345.20297	3.5
363.25446	17.5
364.25699	2.6
381.22360	1.5
381.26355	13.7
381.30371	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
59.01363	2.6
61.98832	5.0
63.27255	0.5
69.03450	1.8
69.63320	4.2
71.01393	0.6
71.05029	0.8
84.82929	0.5
145.36522	0.6
147.66096	0.6
153.14664	0.6
200.50861	0.7
217.00270	2.5
218.00648	0.6
223.50877	0.6
265.25357	2.2
277.25406	0.9
283.22849	1.3
291.26923	1.0
293.28604	3.0
309.27820	0.7
319.26370	3.6
337.27496	100.0
338.27881	12.1
363.25378	4.4
363.29285	0.8
364.25906	1.2
371.36520	0.6
376.11401	0.6
381.26471	94.7
382.22104	1.2
382.26801	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	381.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20007	17.6
58.09546	15.6
59.01386	100.0
61.98826	27.2
71.01393	61.4
71.56679	19.3
71.86023	15.0
72.13246	15.9
73.02947	25.9
78.31585	17.4
85.02959	25.2
86.75513	14.7
101.02427	22.6
113.02428	23.3
115.79385	18.0
174.99223	19.2
217.00325	56.9
217.65025	15.6
381.18576	24.8
381.22705	78.6
381.27039	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15066	0.7
55.01799	3.5
57.03372	2.5
57.03626	1.0
58.00542	1.9
59.01303	23.6
59.01630	3.4
69.03412	1.0
71.01301	37.8
71.01735	3.7
71.55709	0.7
71.56116	0.8
72.99245	1.7
73.02865	15.2
73.03307	1.3
75.00819	1.2
83.01392	8.5
85.02870	20.2
85.03419	1.1
87.00784	2.4
89.02446	9.0
93.03384	3.2
95.01302	3.2
97.02852	2.1
99.00883	7.8
101.02449	38.4
101.06007	1.8
102.02726	1.0
111.00830	1.1
113.02457	18.2
119.03445	1.4
123.00822	1.4
125.02386	1.6
129.01845	1.6
131.03468	1.2
135.04425	0.8
143.03455	1.7
159.02983	4.6
161.04568	18.4
173.04469	2.3
177.01921	1.6
183.10187	2.4
191.05556	3.4
205.03532	0.9
206.32475	0.7
216.65810	0.8
219.06540	1.0
219.15862	0.9
223.98503	0.6
249.13443	100.0
250.13771	7.4
337.20193	10.5
381.08530	1.4
381.19080	32.1
382.19583	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.6
57.03456	5.6
57.03679	0.9
58.00576	1.0
59.01383	36.6
60.87684	0.9
64.71417	1.0
69.35143	7.0
71.01387	59.5
72.99312	2.5
73.02560	1.9
73.02952	33.4
75.00878	1.3
81.03442	1.2
83.01392	12.1
83.06912	1.0
84.02145	0.9
85.02457	2.0
85.02956	33.1
86.00101	1.0
87.00869	3.7
87.08144	1.3
89.02445	12.0
93.03461	3.3
95.01384	5.0
97.02937	3.0
99.00890	12.4
101.02451	59.3
101.06114	1.5
102.02779	1.5
103.09718	1.1
111.00892	2.0
113.02455	24.3
115.03979	1.1
119.03500	1.6
125.02444	3.0
129.01932	2.1
131.03505	3.8
139.07637	1.6
143.03481	2.9
149.04512	1.8
159.02971	4.1
161.04561	24.4
163.04056	1.9
173.04518	4.0
176.01176	1.0
177.01941	15.9
178.02267	1.1
181.08669	2.0
191.05664	4.2
233.06639	2.4
235.11827	1.0
249.13449	100.0
250.13858	7.4
313.52100	0.9
381.17679	97.6
382.18008	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	381.1922
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01887	0.9
55.96871	0.4
57.03434	1.2
58.00589	1.1
58.38379	0.4
59.01387	8.2
69.03448	1.9
71.01389	10.7
72.99303	0.5
73.02945	4.3
77.83441	0.4
83.01389	2.1
83.05022	0.5
85.02968	4.9
87.00903	0.7
89.02450	2.4
93.03464	1.3
95.01398	1.0
95.05029	0.5
99.00884	1.3
101.02455	9.1
101.06091	0.8
113.02473	4.5
113.06083	1.1
135.08163	0.8
137.09753	2.6
138.10245	0.3
159.02997	0.7
161.04550	4.4
173.04575	1.5
191.05742	2.4
191.14374	0.8
201.11443	0.4
233.19101	1.0
245.19122	1.6
247.20668	0.4
249.13454	20.6
250.13835	1.2
257.15543	0.8
257.19202	0.6
261.18701	0.5
263.20151	1.2
273.18692	1.2
289.18085	0.5
303.40646	0.4
309.20755	0.5
319.19211	0.8
335.18759	0.6
337.20224	34.7
338.20477	4.6
381.19214	100.0
382.08990	0.7
382.19562	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03456	1.0
58.00610	1.6
59.01385	35.5
68.89608	0.6
70.30445	1.2
70.30791	1.3
71.01388	35.0
71.05010	2.6
72.99297	1.6
73.02944	2.9
75.00867	0.9
78.22656	0.6
78.37047	0.6
83.01378	2.2
85.02962	5.9
87.00868	2.0
89.01933	1.1
89.02455	15.9
93.03486	4.1
95.01388	1.5
99.00889	1.1
99.08189	0.6
101.02442	14.3
103.48830	0.7
111.04469	0.6
113.02469	8.4
119.03506	6.4
127.21067	0.6
129.09238	7.8
134.03656	1.0
135.04507	1.6
137.02441	4.3
137.09753	1.0
143.03488	0.9
145.02933	1.0
155.10794	2.2
157.12302	0.6
161.02495	1.2
161.04552	2.0
163.04044	8.0
173.04489	1.2
179.05627	0.7
183.10246	1.2
189.01903	1.9
191.05609	7.4
201.11353	9.1
202.11761	0.7
207.02951	3.7
213.60490	0.6
217.00269	0.7
219.12387	17.3
277.36661	0.7
363.16537	1.3
373.83380	0.7
381.17673	100.0
382.18030	11.8
392.49039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03465	0.9
58.00596	0.5
59.01384	16.3
66.24649	0.4
70.29781	1.1
71.01388	19.8
71.01785	1.0
72.99310	3.9
73.02959	5.1
73.44983	0.4
75.00878	0.6
83.01395	3.6
85.02957	9.1
86.00103	0.5
87.00877	1.7
89.02451	6.1
93.03466	1.0
95.01395	1.6
97.02930	0.5
99.00902	2.6
101.02451	18.1
111.00861	1.1
113.02460	6.9
119.03487	1.7
125.09694	0.4
129.01985	0.5
129.09235	1.0
135.04510	0.8
137.29543	0.5
143.03459	0.6
150.55998	0.4
155.10806	0.9
159.03038	1.1
161.02469	0.9
161.04572	3.2
163.04019	1.8
173.04539	0.8
175.87802	0.4
183.10193	0.6
189.01927	1.5
191.05618	10.1
198.79140	0.5
201.11340	1.9
207.02992	1.4
219.12381	3.2
291.14542	6.7
292.14862	0.6
317.16064	5.0
345.15350	0.6
363.07144	0.6
363.16626	10.9
364.16962	1.4
381.17664	100.0
382.17993	11.3
382.22601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97693	0.5
57.03458	0.7
59.01109	0.7
59.01382	8.2
67.01910	0.7
67.10986	0.4
69.26663	4.7
71.01392	7.2
72.99306	0.8
73.02948	2.6
75.00886	0.7
81.03465	0.5
83.01389	2.0
83.05012	0.5
85.02958	12.6
87.00889	1.9
89.02459	1.5
89.03959	0.8
93.03473	7.1
95.01406	1.0
98.19836	1.1
99.00887	1.4
101.02456	6.5
103.26139	0.5
109.03008	0.6
111.00842	0.5
111.04546	1.6
113.02445	3.1
117.03498	2.8
119.03553	0.6
121.02991	0.5
127.04025	2.3
133.02953	1.1
134.03734	0.5
135.04579	3.4
137.02406	0.7
137.42900	0.5
140.25082	0.4
143.03514	0.6
145.02988	3.5
147.04523	1.2
149.45354	0.5
155.03494	1.3
161.02452	12.4
161.04587	2.0
163.04027	39.4
164.04373	2.2
173.04556	10.0
177.01952	1.5
189.01950	21.3
190.02324	0.8
191.05630	100.0
192.05965	4.9
207.02994	8.5
208.03354	0.9
235.09544	0.6
235.11899	11.8
236.12230	1.0
270.26028	0.5
282.43967	0.5
363.07281	5.1
363.12738	0.9
381.08286	11.6
381.17719	5.2
382.08450	0.5
396.69870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.249
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
54.86018	0.3
55.72544	0.3
56.50390	0.3
59.01366	0.9
71.01368	0.4
71.55012	0.4
85.02930	0.4
85.63268	0.3
89.06144	0.4
104.38771	0.3
110.03394	0.3
113.02459	0.4
119.03455	0.4
152.31079	0.3
171.18791	0.3
208.44435	0.3
273.22183	0.7
317.24774	0.6
335.25931	71.1
336.26285	9.5
379.24918	100.0
380.25266	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	379.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90210	19.9
59.01377	47.2
61.71869	20.5
69.94189	100.0
86.49593	19.7
87.95818	26.3
89.18098	18.6
98.19877	24.6
138.16179	23.5
221.95041	25.4
226.19466	22.0
261.10181	25.0
265.32855	22.9
286.72729	25.0
317.21088	25.2
317.77463	21.8
335.25888	23.3
341.23135	33.1
357.91098	25.4
379.21140	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.20719	0.5
54.75009	0.6
58.00581	0.7
58.71162	0.6
59.01383	16.8
69.69205	2.6
71.01386	33.0
71.05028	6.5
72.99293	0.8
73.02970	1.1
83.01384	1.6
85.02946	2.5
88.04060	5.0
89.02449	9.7
95.01396	1.0
99.04539	1.8
101.02452	8.6
103.17380	0.6
113.02466	3.8
116.03555	0.7
116.07172	1.0
119.03507	3.6
128.07182	2.2
146.08243	56.3
147.08578	2.2
161.04547	1.5
166.64481	0.5
176.43425	0.5
191.05618	0.7
200.09346	0.7
208.40494	0.7
218.10344	0.8
219.12370	1.0
263.11386	0.9
308.13461	7.2
309.13907	0.9
332.71881	0.6
362.14487	1.7
380.15625	100.0
381.15967	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
58.00606	1.2
59.01387	20.8
68.28881	0.5
69.39899	5.3
71.01385	12.2
73.02935	0.9
75.00881	0.9
82.02986	1.3
83.01417	1.4
85.02957	1.8
87.00881	1.9
89.02455	9.5
95.01388	0.9
100.90723	0.6
101.02463	6.8
113.02473	4.0
119.03489	3.4
125.09768	1.0
127.11301	0.9
130.10860	0.6
134.97217	0.6
136.04025	1.1
137.09721	2.9
153.09209	0.9
155.10796	32.1
156.11102	2.0
171.10277	22.5
172.10561	1.0
173.11810	2.7
176.63524	0.7
196.69374	0.6
199.09764	9.5
201.11386	2.5
213.11348	5.7
217.10820	52.0
218.11246	3.5
220.39612	0.7
228.05374	0.7
243.07863	0.8
259.11859	7.1
270.06494	2.4
285.08820	14.5
286.09216	1.4
287.06631	0.9
317.11484	4.4
361.10214	0.8
361.14890	1.1
379.16089	100.0
380.16492	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	379.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01721	1.2
61.98843	0.9
71.01385	5.8
73.02966	1.5
78.95914	3.9
81.37517	0.6
83.01411	1.1
83.67126	0.6
85.02979	2.2
87.00942	0.6
89.02441	1.6
91.69351	0.7
99.00880	0.8
101.02447	5.2
113.02493	1.9
128.64711	0.7
130.69582	0.6
142.33371	0.7
144.55708	0.7
152.99580	3.9
157.12320	4.2
159.02991	0.9
161.04578	4.8
173.04567	0.7
185.77754	0.7
191.05666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40293	0.7
55.01885	2.9
57.03452	2.4
58.00589	4.3
59.01384	100.0
60.01747	0.8
64.68595	0.7
69.29426	3.8
69.29848	3.0
71.01388	78.0
72.01727	1.8
72.99318	3.2
73.02949	12.3
83.01395	5.9
85.02957	19.7
87.00880	3.4
89.02453	99.5
90.02776	1.4
95.01395	4.4
97.02940	1.0
99.00864	3.6
101.02451	46.1
102.02755	0.7
113.02458	27.8
114.02751	0.7
119.03518	28.2
120.03854	1.0
125.02441	2.1
131.02675	1.1
131.03534	12.3
133.44659	0.8
141.01628	0.7
143.03505	7.9
149.04570	21.5
150.04877	1.1
159.02913	1.2
161.04564	13.4
179.05621	21.2
191.05650	3.9
199.09726	1.3
204.34691	0.8
230.64435	0.9
247.11877	27.1
248.12044	1.7
319.13660	1.6
379.11520	0.9
379.16043	9.2
379.23373	3.5
380.16306	1.0
395.00803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	2.9
57.03440	2.7
58.00592	3.2
59.01383	90.6
69.03467	1.5
69.50343	5.9
69.83393	0.8
71.01385	75.0
72.01727	1.5
72.85310	0.9
72.99311	2.8
73.02951	24.7
74.03299	1.0
81.03462	0.8
81.92767	0.8
83.01379	4.9
85.02962	18.1
87.00886	3.2
89.02450	100.0
90.02818	1.6
95.01394	3.4
97.02956	2.1
99.00886	24.3
101.02449	50.9
102.02785	1.1
113.02460	23.0
115.04008	1.0
119.03506	17.0
125.02440	5.1
131.03511	18.4
143.03496	4.7
149.04564	45.8
150.04927	1.1
159.02968	0.9
161.04565	13.3
179.05627	9.3
191.05640	11.4
212.02878	0.9
213.63799	0.8
221.06639	2.0
233.06580	1.8
247.11871	21.2
248.12186	2.3
251.07687	2.5
293.08838	1.0
379.16098	47.2
379.23151	4.9
380.16339	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41370	1.1
57.03446	1.3
59.01389	21.4
66.43568	1.1
66.51435	1.2
80.96770	1.2
96.95991	1.4
139.01518	1.3
149.22359	1.1
157.19406	1.3
171.10280	29.4
253.09326	1.3
265.15005	1.8
268.78949	1.3
277.21732	36.7
278.22131	4.3
295.22809	100.0
296.23212	10.0
317.20969	30.9
318.21484	4.3
341.11325	1.5
360.51456	1.2
361.20166	5.2
377.23199	24.9
377.27386	5.2
377.30759	58.8
378.22949	3.4
378.31021	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	377.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69795	1.3
59.01388	100.0
61.98829	1.6
68.69452	1.4
70.46857	1.5
71.01385	4.0
71.56915	2.1
73.02947	5.8
88.47776	1.3
89.02471	3.2
101.02454	2.5
129.77013	1.2
135.04541	1.6
171.13960	2.1
173.04568	1.6
179.05516	1.9
201.14957	2.0
229.18068	2.4
315.25354	2.5
317.26904	1.6
341.10870	5.9
345.13400	1.9
377.08392	4.5
377.29129	25.1
378.29498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98827	10.1
68.51081	6.4
71.01404	33.4
85.02963	19.5
87.00851	8.8
89.02470	36.0
93.03456	14.8
97.90877	7.6
101.02443	37.0
113.02431	11.3
116.92928	6.3
119.03509	13.4
135.04515	27.0
153.02138	6.8
155.07162	9.7
159.04506	7.5
161.04517	8.5
173.04489	16.6
179.07100	10.5
191.05647	47.9
197.08205	7.5
215.03180	11.0
273.09637	8.8
293.12314	7.6
329.35739	7.7
341.11053	49.6
341.78439	6.4
377.08472	35.4
377.14511	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03445	3.3
58.00599	2.2
59.01384	100.0
60.01732	1.0
64.96727	0.9
69.03459	3.5
71.01387	63.2
71.56853	1.3
72.99310	2.5
73.02951	82.8
73.64532	1.1
83.00918	2.0
83.01394	23.5
85.02951	5.0
87.00893	1.8
89.02452	14.7
95.01380	1.6
97.02952	1.8
99.00867	1.9
101.02450	66.2
102.02763	1.4
113.02445	12.8
119.03513	4.0
125.02439	2.3
127.11254	2.1
131.03560	4.5
135.04515	1.0
143.03510	5.0
149.04565	2.1
155.03516	2.3
155.10812	5.3
156.93112	1.0
161.02440	0.9
161.04558	8.6
173.04530	1.3
173.11868	4.5
179.03453	1.6
187.13351	1.5
191.05548	1.5
217.14494	1.1
220.28494	1.2
263.09720	0.9
317.16312	2.1
335.17105	9.3
336.17700	1.4
341.10828	3.7
377.08524	2.6
377.18216	48.6
377.28922	12.1
378.18689	4.5
378.29538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22523	3.3
59.01390	33.0
69.03462	10.0
69.56877	3.6
69.89851	12.3
71.01398	24.8
72.99409	3.1
73.02946	3.5
73.26580	3.5
78.95908	25.2
85.02969	6.6
89.02451	29.7
96.96979	39.2
99.00955	3.5
101.02466	14.6
113.02477	6.9
119.03514	11.8
129.01942	3.8
131.03526	4.3
143.03557	4.4
168.03365	3.4
179.05630	17.1
182.80426	2.9
191.05675	13.2
210.52489	3.3
215.03319	21.1
216.05608	10.4
279.10855	11.3
288.07834	9.6
301.07349	4.7
341.10889	100.0
342.11258	7.5
345.06360	7.8
377.08539	54.5
378.11414	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.9
65.96743	3.9
70.89053	9.9
71.01398	28.9
72.52333	4.0
78.95920	13.4
84.00912	8.6
89.02453	38.2
93.03481	4.9
96.96968	16.5
101.02448	15.7
113.02488	10.2
119.03468	12.2
129.01912	4.2
141.54707	4.1
143.03523	4.5
148.62988	4.0
152.48523	4.4
163.40279	3.9
179.05640	21.5
197.02306	5.3
198.04071	6.3
204.97038	4.8
208.83862	4.4
215.03252	25.3
217.05220	5.3
262.06161	12.5
288.07645	5.9
301.07446	10.2
320.39365	4.7
322.34766	4.0
328.97925	4.1
341.10925	100.0
342.11127	12.0
345.06458	12.0
377.08548	64.0
378.06903	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	33.2
62.87868	3.1
63.31646	2.9
69.43083	13.0
69.43511	11.4
71.01397	25.6
78.95905	27.9
85.02980	7.0
89.02450	36.2
96.96970	41.8
101.02468	16.0
113.02435	9.0
119.03506	13.8
150.04251	5.3
152.56631	3.4
179.05634	18.9
191.05573	5.0
213.07474	3.2
215.03198	16.0
279.10934	3.9
341.06763	5.4
341.10901	100.0
342.11197	12.2
349.14572	3.4
377.08539	68.7
377.12781	7.4
378.08612	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	375.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49073	26.1
61.75855	25.0
70.21277	68.6
98.41492	24.8
99.92598	96.3
118.89976	27.5
119.90085	25.5
120.89700	48.7
138.47098	24.5
155.84584	24.9
300.05731	25.6
375.13300	100.0
376.13104	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2907
Annotation	15(R)-Pinane Thromboxane A2
Peak:m/z	Relative Intensity
52.12966	0.2
56.30422	0.2
58.89943	0.2
59.01384	1.3
69.41568	0.5
69.41978	1.0
72.76466	0.2
91.52796	0.2
98.44146	0.2
109.55306	0.2
183.86200	0.2
210.45634	0.2
217.00378	1.3
221.15599	0.2
240.49307	0.2
375.29068	100.0
376.29404	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	375.2908
Annotation	15(R)-Pinane Thromboxane A2
Peak:m/z	Relative Intensity
59.01381	0.8
59.35846	0.3
71.56902	0.4
122.11221	0.3
200.32918	0.3
214.98323	0.3
217.00275	0.4
282.83020	0.3
315.27023	1.8
375.29053	100.0
376.29388	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	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46585	1.1
59.01384	9.3
71.05032	3.3
71.56288	1.2
80.72512	0.9
83.05013	1.3
95.05044	1.1
101.05338	1.0
104.63231	0.9
108.02190	2.2
174.99248	1.7
217.00270	10.7
220.14822	1.2
225.18779	2.6
233.15514	1.4
235.20695	3.2
245.22769	3.2
261.22293	1.8
263.23810	16.9
264.24103	2.0
272.20560	1.0
281.18887	1.4
283.20425	2.8
303.19342	2.1
311.19986	2.2
313.21494	3.7
315.19199	2.4
329.89206	1.1
331.22565	100.0
332.22931	14.4
357.20377	5.9
357.24271	1.5
375.21548	76.7
376.21735	10.6
387.79861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.7
57.03456	7.1
58.00592	2.1
59.01384	58.7
60.01730	0.9
69.03466	1.5
69.27181	6.9
71.01389	100.0
72.01715	1.8
72.99310	3.2
73.02956	35.4
75.00866	1.3
78.99537	0.7
80.33768	0.8
83.01394	19.1
83.57991	0.9
84.02184	0.8
85.02959	52.0
86.00115	1.7
87.00896	4.5
88.39556	0.7
89.02450	17.9
90.02805	0.7
95.01396	7.4
97.02952	3.3
99.00888	14.8
101.02453	94.6
101.60390	0.7
102.02788	1.8
111.00889	2.6
113.02462	43.2
113.03262	2.1
113.99292	0.7
114.02730	0.9
115.03992	0.8
119.03514	5.9
125.02464	2.8
129.01939	2.3
131.03543	1.4
143.03500	5.4
159.02995	12.3
161.04567	48.5
162.04884	1.9
205.03554	1.6
375.08521	1.0
375.23874	26.6
375.28455	1.7
376.24194	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	1.0
69.36011	3.8
71.01380	3.0
73.02969	0.8
73.21194	0.5
85.02974	1.3
89.02453	0.6
91.44608	0.4
101.02475	1.8
113.02490	0.9
117.29312	0.5
139.39354	0.5
161.04639	1.9
246.00536	0.5
315.18210	1.0
339.27969	0.4
375.22961	0.7
375.27530	3.1
376.28040	0.5
386.40457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	54.8
69.45341	5.2
69.45768	6.9
93.70788	1.8
95.05029	4.0
98.25483	1.6
103.99792	1.8
121.10245	29.5
125.09767	2.0
137.00520	1.6
171.08810	3.6
171.10284	74.9
172.10550	2.1
174.99232	3.8
207.10004	4.9
217.00288	23.5
231.21178	3.9
248.77679	1.5
253.09122	2.5
275.20172	100.0
276.20544	11.5
278.11398	12.0
279.29517	1.8
293.21246	91.6
294.21609	9.1
297.18219	2.1
315.19431	47.7
316.19769	4.6
329.17288	2.4
359.18469	8.5
360.87817	1.7
375.21313	35.3
375.29190	2.4
376.21124	5.1
396.67072	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	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17520	0.6
67.23160	0.6
69.63389	0.9
69.63792	4.0
74.99076	2.8
91.84793	0.6
93.00114	1.3
99.57755	0.6
149.01004	1.1
159.08482	10.7
161.06415	3.9
193.54074	0.6
206.99559	0.7
209.01271	2.4
217.07248	1.5
275.06152	1.0
277.07431	2.6
289.07590	2.4
291.09119	94.4
292.09247	12.5
309.10220	1.0
357.13812	2.1
359.15375	100.0
360.15488	17.0
375.18567	5.6
375.29056	0.9
376.18732	1.8
377.16290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74954	0.8
61.02847	0.7
64.52654	0.7
65.21678	0.9
70.12580	1.3
70.12984	3.0
74.99082	3.6
83.19896	0.7
93.00117	1.1
98.19930	0.9
152.91164	0.7
156.77187	0.7
159.08492	11.7
161.06422	3.0
165.97034	0.7
175.87807	0.7
182.09502	0.9
192.79660	0.8
195.57576	0.7
209.01273	2.5
217.07266	1.7
237.47542	0.8
277.07571	2.2
289.07629	1.7
291.09137	97.1
292.09262	13.1
309.10278	0.9
357.13812	2.2
359.15375	100.0
360.15576	17.8
375.18573	7.1
376.18704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79653	0.9
59.01388	17.1
59.46885	0.7
67.91257	0.8
71.01385	12.0
71.54895	1.0
83.05026	1.0
99.92584	1.2
127.07653	1.2
174.99251	3.7
177.09183	4.7
181.55519	0.8
190.09956	2.5
192.11546	8.8
193.12015	1.0
204.44919	0.8
205.10539	0.8
205.12366	3.0
207.13918	1.8
217.00322	17.9
218.00620	1.5
218.09476	2.4
220.14694	40.8
221.15475	100.0
222.15814	7.6
235.13376	1.4
236.10558	90.1
237.10912	8.2
275.16647	1.2
292.11859	1.0
293.17615	43.4
294.17905	4.3
318.09653	5.1
321.15659	1.6
329.24878	1.8
335.13486	1.1
374.99234	1.2
375.18018	6.5
375.25354	8.2
375.29303	1.3
376.17993	1.1
376.25745	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76744	0.9
55.01881	1.1
57.03466	5.2
58.67362	0.9
59.01387	100.0
60.01731	2.1
63.41793	0.9
71.01382	21.4
71.05029	4.4
73.02956	10.8
83.01400	2.9
83.05025	1.5
85.02959	9.6
87.00862	1.1
89.02432	1.7
95.01380	1.9
97.06601	4.2
99.00887	2.8
101.02452	14.5
104.92719	1.0
113.02483	7.0
125.09772	1.8
127.11308	12.8
135.04578	1.3
143.03572	1.3
153.09267	3.4
159.06642	2.2
161.04567	5.7
171.10287	49.0
172.07896	0.9
172.10661	2.9
173.04541	3.3
201.14926	1.8
203.05620	1.6
217.00285	2.5
229.71605	0.9
243.16084	1.2
252.71140	0.9
289.16479	2.2
329.23428	3.6
331.13113	3.8
339.06573	1.0
341.23370	1.1
350.50290	0.9
357.26578	1.8
373.26044	1.0
375.06961	1.2
375.16791	2.9
375.27557	79.3
376.27817	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76744	0.9
55.01881	1.1
57.03466	5.2
58.67362	0.9
59.01387	100.0
60.01731	2.1
63.41793	0.9
71.01382	21.4
71.05029	4.4
73.02956	10.8
83.01400	2.9
83.05025	1.5
85.02959	9.6
87.00862	1.1
89.02432	1.7
95.01380	1.9
97.06601	4.2
99.00887	2.8
101.02452	14.5
104.92719	1.0
113.02483	7.0
125.09772	1.8
127.11308	12.8
135.04578	1.3
143.03572	1.3
153.09267	3.4
159.06642	2.2
161.04567	5.7
171.10287	49.0
172.07896	0.9
172.10661	2.9
173.04541	3.3
201.14926	1.8
203.05620	1.6
217.00285	2.5
229.71605	0.9
243.16084	1.2
252.71140	0.9
289.16479	2.2
329.23428	3.6
331.13113	3.8
339.06573	1.0
341.23370	1.1
350.50290	0.9
357.26578	1.8
373.26044	1.0
375.06961	1.2
375.16791	2.9
375.27557	79.3
376.27817	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55138	1.6
55.01881	2.2
57.03449	7.0
58.00592	3.6
59.01385	100.0
60.01722	2.7
61.01823	2.7
61.12886	1.5
66.12611	1.3
69.03455	2.5
71.01392	59.9
71.05029	4.5
71.57023	2.3
72.99312	7.1
73.02971	6.4
76.33986	1.5
83.05046	4.2
84.02142	1.4
85.02958	12.5
85.06613	2.1
87.00867	3.4
87.04524	4.4
88.21712	1.5
89.02456	54.3
93.03452	3.1
95.01382	4.2
95.05034	7.1
97.02943	2.7
97.06588	8.1
99.00959	1.9
101.02462	33.2
106.11614	1.6
107.05046	5.6
109.06602	4.2
112.87701	1.7
113.02466	20.8
113.06180	2.0
115.07670	6.2
119.03512	24.4
123.08206	2.8
125.09750	1.7
126.18800	1.6
127.11316	1.8
131.03534	2.2
135.04549	1.7
136.05345	2.1
139.11331	4.9
143.03506	3.8
143.10797	5.6
149.09737	1.5
151.11298	44.7
152.11644	3.6
153.12875	2.5
157.12355	4.1
161.04527	2.0
167.10793	3.2
169.12357	5.4
173.04710	2.7
177.09235	6.5
179.05670	3.9
185.11841	5.2
185.77908	1.6
187.13472	1.8
193.02838	1.7
193.12364	6.1
195.10284	74.4
196.10561	4.0
211.13454	3.7
213.11339	14.7
217.00410	4.1
229.18060	5.8
238.94243	1.5
313.23807	2.5
316.22855	1.6
345.26462	2.4
357.26620	2.1
375.20306	1.9
375.23270	2.8
375.27539	39.9
376.27792	4.4
387.95975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1312
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
56.59702	0.6
57.03451	0.8
59.01107	0.9
59.01384	11.7
67.01876	1.6
69.03477	0.6
71.01395	5.6
71.05029	0.6
71.56899	0.7
72.99302	0.7
73.02959	1.4
77.21521	0.6
78.15326	0.5
81.03463	0.9
82.51631	0.5
83.01407	1.0
83.05032	1.2
85.02943	2.8
85.06560	0.6
87.00880	3.2
87.04520	1.0
89.02448	3.6
93.03468	13.4
95.64120	0.6
99.00909	0.8
101.02446	3.8
104.57940	0.6
108.02229	0.7
109.02979	0.6
111.00902	0.6
111.04549	2.6
113.02444	2.4
117.43817	0.6
119.03506	1.3
123.04497	0.6
134.03699	0.6
135.04527	1.8
144.08156	1.2
149.02408	0.9
155.03540	1.1
161.04597	1.3
167.10698	0.6
173.04568	11.6
175.03949	0.7
176.04759	1.5
179.03514	0.9
184.08812	2.7
185.07262	0.7
191.05637	11.9
191.07210	1.6
192.06029	0.7
197.05954	1.2
198.06720	3.3
201.01776	0.6
201.11418	1.4
209.08217	0.6
212.08310	23.3
213.08664	1.8
217.00311	1.4
224.08304	0.7
240.06499	2.7
241.07347	12.3
242.07649	0.9
255.08887	100.0
256.09189	9.0
257.10526	1.0
288.15948	0.5
317.06665	0.5
331.13858	0.6
345.13480	0.6
357.15359	1.0
375.06989	1.7
375.12869	3.2
375.16635	14.7
375.20435	2.2
376.16998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86272	1.0
57.03448	1.3
59.01386	100.0
61.98824	3.5
69.72942	6.3
71.01390	6.2
72.99327	1.2
73.02900	1.2
78.95889	3.3
81.02795	1.2
85.02957	3.3
87.00903	5.7
89.02450	1.6
89.02968	1.1
93.03457	6.2
96.96964	2.4
101.02439	3.4
107.05029	1.3
109.02952	2.1
111.04468	1.2
113.02459	1.8
119.05054	1.7
121.02983	2.9
127.77161	1.1
130.26218	1.2
133.02950	6.9
134.03748	18.8
135.04539	45.8
136.01620	1.5
136.04036	7.9
136.04906	2.3
136.98595	1.7
137.02400	4.3
138.03242	6.0
149.02449	1.9
150.03214	1.4
151.04060	2.3
153.05589	56.6
154.05969	1.8
157.05017	1.5
159.04659	1.2
161.02475	18.8
161.04561	3.9
164.01184	2.7
165.01950	17.1
165.05594	2.0
166.02170	1.4
173.04544	3.7
174.41890	1.3
174.99234	3.2
178.02715	1.1
179.03513	52.1
180.04285	19.2
189.01689	12.4
191.05582	7.8
194.05890	8.2
195.06641	42.2
196.07007	2.2
201.01697	34.4
213.04005	1.6
217.00296	10.0
367.27426	1.4
375.06964	91.5
376.07281	6.9
389.30289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09076	1.5
59.01386	100.0
60.01702	2.1
71.55466	1.3
109.59783	1.2
122.16836	1.2
122.54724	1.4
136.54663	1.4
151.29836	1.6
174.99274	7.5
217.00305	23.6
287.75192	1.4
314.26831	2.5
369.54755	1.3
374.24374	4.8
375.21353	2.9
375.25287	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	375.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87410	0.5
57.03424	0.4
59.01376	1.5
71.01409	0.4
71.03436	1.1
77.85360	0.5
83.05011	0.7
85.02963	0.6
87.00883	1.3
93.03467	2.8
109.02939	0.5
111.04530	1.8
117.03449	0.8
121.02947	1.6
127.04037	0.9
133.02934	2.9
134.03754	29.3
135.04547	35.3
136.04872	1.6
136.98586	1.1
137.02443	2.1
139.01668	0.4
147.04500	0.5
149.02464	0.6
151.82747	0.4
155.03542	0.8
159.06622	0.5
161.02467	6.2
166.99678	0.7
173.04556	2.0
179.03506	30.8
180.03856	1.7
183.00572	1.2
189.01703	23.4
190.01997	0.7
191.05573	2.5
195.97049	0.5
201.01707	60.5
202.02036	4.1
215.03223	1.8
237.98656	0.5
243.02805	0.9
315.10861	0.8
340.03528	0.5
375.06979	100.0
376.07281	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	374.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14928	0.2
59.01388	3.1
68.36700	0.2
70.72891	0.2
71.56270	0.4
79.78331	0.3
80.98828	0.2
82.02457	0.2
87.26693	0.3
101.06082	1.1
105.01868	0.2
113.50539	0.3
124.07679	0.5
139.47429	0.2
140.18782	0.3
149.07159	0.3
165.10313	0.4
174.99243	0.4
206.68016	0.3
217.00269	2.0
232.10918	10.5
233.11186	0.7
277.13989	0.3
289.18097	1.2
290.18784	2.6
314.24405	0.3
316.16794	1.7
337.65237	0.3
347.16199	0.3
358.21298	1.3
374.24490	100.0
375.24887	13.2
375.29797	0.3
392.55356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.6
57.03453	6.1
58.00602	2.1
59.01385	57.3
60.01701	0.7
69.03458	1.9
71.01389	100.0
72.01717	1.3
72.59246	0.6
72.99323	2.4
73.02954	29.6
75.00883	2.8
81.03480	0.7
82.94167	0.8
83.01402	13.9
84.64280	0.6
85.02962	44.4
86.00114	0.8
87.00866	4.0
89.02452	17.8
89.82737	0.8
95.01395	8.8
96.97634	0.6
97.02959	2.0
99.00893	14.0
99.70779	0.7
101.02451	67.3
102.02770	1.8
113.02460	41.4
114.02758	1.3
119.03532	5.2
125.02472	2.3
129.01915	1.7
139.11282	1.6
143.03500	4.7
159.03012	10.3
161.04570	35.5
162.04935	0.8
179.05743	0.8
211.17023	7.4
282.12668	0.8
297.08795	0.9
329.11414	0.9
373.22412	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	373.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75320	0.4
55.01879	7.8
57.03457	6.2
58.00594	2.6
59.01383	46.7
60.01738	0.5
69.03469	2.0
69.58397	1.4
69.58807	1.6
71.01388	100.0
72.01720	1.6
72.02103	0.5
72.99321	3.9
73.02954	30.6
75.00883	2.2
81.03462	0.6
83.01392	13.6
84.02187	1.0
85.02958	45.0
86.03299	1.1
87.00881	3.2
89.02456	18.2
93.03494	0.9
95.01395	8.2
97.02938	2.8
99.00889	14.3
99.64562	0.5
101.02451	67.6
102.02776	0.8
111.00853	0.7
113.02460	42.0
114.02756	0.8
119.03499	5.4
125.02471	2.1
129.01967	1.5
131.03531	0.8
139.11299	1.8
143.03482	3.8
149.04591	0.6
150.03401	0.5
159.03018	9.1
161.04567	37.5
162.04929	1.4
173.04561	2.0
179.05579	0.7
192.87015	0.5
205.03461	0.9
210.19189	0.5
211.17047	7.8
212.17299	0.8
219.48843	0.5
267.06656	0.6
267.31665	0.5
278.63287	0.5
312.74219	0.5
366.41614	0.5
373.18469	1.0
373.22400	7.1
374.22540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
58.00587	1.4
59.01384	100.0
60.01710	1.0
69.03448	4.1
71.01386	11.6
71.54988	1.3
72.99316	3.7
73.02958	10.4
83.01386	2.4
85.02958	4.0
86.00117	2.5
87.00862	1.0
89.02386	1.3
89.52789	0.9
95.05010	0.9
97.06593	5.4
99.00879	1.3
101.02457	7.6
107.62479	0.9
111.08165	2.9
113.02454	1.1
117.01961	2.0
123.08177	14.6
125.09713	1.7
131.03503	4.4
135.04672	1.1
141.09195	2.2
141.12875	3.6
145.05038	1.9
152.08440	1.2
154.50159	1.0
171.13908	3.4
173.04509	1.2
187.09743	2.0
251.16537	1.7
263.33759	0.9
273.17139	2.7
277.21713	15.0
293.12125	1.6
295.22754	9.0
301.19180	18.2
311.18564	1.1
311.22186	1.3
313.24039	2.1
323.18570	5.4
329.19739	1.4
329.23303	2.1
345.81174	1.1
348.80511	1.1
355.17398	1.6
355.21359	1.3
355.25223	1.2
365.21426	1.5
373.18451	2.9
373.22250	2.9
373.25974	82.4
374.22095	65.5
374.26297	7.2
374.72342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01880	0.5
57.03464	0.7
59.01385	100.0
60.01720	1.3
66.43910	0.4
68.18494	0.4
69.48384	1.1
69.48804	1.7
71.01390	7.7
72.99340	0.4
73.02960	2.9
74.99088	0.7
83.01402	1.4
85.02946	3.7
87.00893	0.6
89.02451	0.8
93.83604	0.4
95.01406	0.7
99.00894	1.1
101.02457	5.6
106.14553	0.4
113.02464	3.0
143.03513	0.4
151.49379	0.4
161.04602	4.4
163.48289	0.5
204.14720	0.4
282.06580	0.5
286.47452	0.4
297.08969	1.3
329.11612	1.2
331.17786	2.8
373.22321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01164	2.1
59.01389	23.6
62.37677	2.2
70.26835	5.1
70.27198	4.9
75.35508	2.1
79.90179	2.2
81.57345	1.9
82.19175	2.1
86.01514	2.0
87.81464	2.0
121.10235	16.6
123.08212	3.1
125.09724	8.7
147.08211	2.7
185.11874	13.8
197.11731	2.9
207.09958	3.5
211.13365	2.7
245.19083	8.4
291.19705	63.9
292.20087	7.0
298.07990	2.2
313.17874	100.0
314.18176	12.2
373.14600	26.1
373.19641	4.6
373.23770	4.6
395.21194	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46605	1.2
55.36565	1.1
57.03440	2.3
59.01387	100.0
60.01717	1.3
62.29844	1.3
62.78225	1.1
67.01896	2.0
69.03505	1.2
71.01385	16.1
71.05023	1.0
71.57203	1.2
72.99361	1.3
73.02950	5.4
81.57056	0.9
83.01386	2.1
83.05019	1.9
85.02962	4.8
89.02448	4.1
93.03458	14.6
94.03864	1.3
95.01423	1.3
97.06599	1.0
99.00850	1.7
101.02464	7.0
111.04507	2.5
111.08176	1.1
111.23473	1.0
113.02477	5.8
119.03500	1.2
135.04503	1.5
137.02457	3.2
155.03491	2.4
161.04601	5.2
173.04562	53.5
174.04897	2.1
199.13385	6.2
313.10974	1.5
331.17575	3.9
343.11978	1.5
373.13080	3.0
373.18591	6.2
373.26178	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	373.1142
Annotation	Swertiamarin
Peak:m/z	Relative Intensity
59.01109	1.9
59.01384	22.8
66.54444	1.6
68.80122	1.4
71.01387	13.0
71.02414	3.3
72.99310	8.7
73.02938	3.2
75.00870	2.8
76.29474	1.4
78.95926	1.5
83.01370	2.1
85.02975	4.7
87.00883	4.0
89.02470	6.0
93.03474	2.3
95.01395	2.4
95.34788	1.5
101.02470	5.7
108.02180	38.4
109.02979	15.0
113.02454	4.7
119.03523	2.2
121.03005	2.6
122.03736	9.9
123.00926	7.4
123.04548	20.4
124.01662	6.3
132.02191	2.5
133.02942	1.8
134.03767	14.3
136.01665	7.9
137.02452	6.7
137.06119	4.8
148.01633	2.4
149.06123	7.2
150.03239	43.0
151.04062	8.5
152.01195	1.5
163.03951	1.8
164.01154	3.9
165.01944	44.3
165.05580	12.0
166.02733	16.6
167.03479	5.1
177.01985	4.0
178.02734	34.5
179.03427	3.9
180.00745	1.5
181.05092	37.6
182.05481	1.8
191.05798	1.5
193.05080	100.0
193.67662	1.6
194.05417	5.2
195.02942	4.7
211.06140	37.8
211.08105	1.9
212.06526	1.7
219.70772	1.4
257.13812	1.3
328.08005	9.4
343.10352	94.9
344.10568	8.6
355.10461	19.3
356.10712	2.3
373.11420	65.3
374.11636	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	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01382	1.7
60.02204	0.3
71.01388	2.2
71.56812	0.5
73.02944	3.8
73.92682	0.3
80.15327	0.4
81.03467	0.7
83.05026	1.3
83.85692	0.4
85.02949	1.2
87.00896	0.5
93.03467	4.5
101.02410	1.0
107.26801	0.4
111.04543	4.1
113.02438	0.4
121.03019	0.5
123.02721	0.5
127.04000	0.4
135.08160	0.7
137.02461	1.1
137.09734	6.4
138.10091	0.4
151.04010	0.9
155.03508	3.8
155.10791	100.0
156.11107	5.8
167.10765	0.4
173.04558	14.6
174.04855	0.6
191.05617	2.1
199.09767	70.6
200.10092	3.8
230.56964	0.4
257.46475	0.4
269.39902	0.4
299.09467	0.4
329.10339	0.4
343.12064	1.1
373.15082	19.7
374.15485	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	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03444	1.2
59.01382	21.4
60.01712	0.6
60.99308	0.7
62.13420	0.4
64.92226	0.4
67.01893	5.1
69.03457	1.1
69.52303	1.3
69.52726	1.5
71.01391	5.4
73.02946	2.5
77.52341	0.4
81.03473	0.7
83.01410	0.8
83.05042	0.8
85.02971	1.3
89.02469	0.7
91.56314	0.4
93.03466	26.7
94.03797	0.7
97.46741	0.4
99.00880	0.6
101.02433	2.5
105.67300	0.4
106.38128	0.5
109.02956	1.6
111.00875	0.9
111.04523	5.4
113.02456	1.7
127.03989	0.4
137.02464	5.0
137.09731	1.3
155.03514	5.3
155.10791	21.4
156.11092	1.3
161.04558	1.2
173.04559	100.0
174.04922	4.0
199.09775	15.3
200.10091	0.8
221.52231	0.4
289.00284	0.4
373.15094	9.5
373.22540	0.6
374.15326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.0
59.37906	1.3
61.98802	1.2
71.01379	1.9
71.56410	2.0
75.00869	12.5
77.44602	1.4
83.01383	6.6
86.70999	1.6
136.05309	2.0
249.33583	1.5
251.23665	1.9
271.22775	13.8
290.37213	1.4
291.26996	6.7
293.24576	1.5
309.27997	36.8
310.28293	4.1
311.25931	78.4
312.26263	9.6
313.23825	5.6
316.45950	1.9
327.29007	3.5
353.27069	11.9
354.27231	2.0
371.28043	100.0
371.31628	6.5
372.28503	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	371.3167
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
58.39186	0.7
70.03703	1.1
70.04101	1.9
72.99316	32.4
75.00877	8.2
75.95129	0.6
87.93088	0.5
90.25445	0.5
90.97754	0.5
140.80406	0.6
145.55672	0.6
146.78680	0.5
170.44392	0.6
255.06023	0.7
295.30051	1.7
325.30994	1.1
345.67731	0.7
371.31671	100.0
372.31992	12.4
384.18973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3168
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
53.80965	0.5
57.03204	0.6
57.03456	7.3
59.01374	0.8
69.03432	1.0
70.99442	1.1
71.05010	2.9
72.99332	0.9
75.73671	0.5
81.03464	1.7
85.02956	4.6
99.04530	0.8
115.92604	0.5
116.25597	0.5
208.60849	0.5
267.26938	27.7
268.27292	3.7
281.28571	3.5
291.27039	0.7
307.30206	0.8
325.31070	5.2
371.31662	100.0
372.32034	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.0
60.01702	0.6
60.12101	0.7
61.98823	1.1
65.55586	0.7
65.76441	0.6
66.35367	0.6
69.25182	5.6
71.01386	1.7
73.02949	0.7
78.95947	1.1
83.10150	0.6
87.00883	2.0
89.02466	0.7
98.20686	1.2
101.02454	0.9
108.02193	2.6
109.02985	0.6
123.04523	2.0
125.02427	0.9
134.03755	71.4
135.04037	3.2
136.01678	46.8
137.02017	1.7
139.00421	0.7
141.01778	0.6
149.06093	100.0
150.06438	6.5
151.04022	75.9
152.01151	2.6
152.04356	3.1
153.01913	1.1
163.04118	0.7
167.03473	1.9
173.04584	1.3
191.05682	1.1
193.04840	0.7
199.09802	0.7
211.06125	19.4
212.06448	1.7
216.56487	0.6
261.44324	0.7
261.83142	0.7
272.09644	0.8
315.07303	2.4
356.69516	0.7
373.07071	1.1
373.11426	17.0
373.56079	0.7
374.11838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35973	1.0
56.30978	0.8
57.03447	5.1
59.01381	2.4
61.98841	2.3
70.60232	2.5
71.01385	1.3
78.95906	2.2
80.44375	0.7
89.02459	0.8
89.79527	0.9
96.96985	1.1
101.02451	100.0
102.02761	1.3
102.07284	1.1
108.02187	0.9
124.01656	5.5
134.03752	1.6
135.04517	1.2
136.01656	1.1
139.04016	5.2
149.06131	1.3
151.04060	1.4
178.02710	1.0
191.05576	1.6
204.81865	0.8
373.11444	1.4
374.10553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2443
Annotation	Polyrhacitide B
Peak:m/z	Relative Intensity
58.00598	0.4
59.01378	2.1
60.15531	0.4
69.35276	3.8
71.01372	0.6
72.02152	0.5
72.99306	1.4
73.82543	0.4
75.00879	1.2
83.01392	2.1
93.09217	0.4
97.41689	0.4
100.43597	0.4
102.29906	0.5
121.02927	0.7
125.09719	0.8
134.09006	0.5
138.31436	0.4
149.82178	0.4
150.20883	0.4
153.12872	1.4
173.11852	1.7
197.11813	1.9
215.12863	1.7
237.22237	1.5
239.23878	1.9
255.16016	0.7
263.23651	0.6
267.23245	1.3
281.24777	2.2
283.22809	8.4
284.23126	0.7
291.23291	0.9
291.26770	0.6
292.27316	0.6
297.24423	1.7
307.22791	0.7
309.24387	8.2
310.24649	1.1
311.22314	0.6
325.23962	3.8
326.24228	0.7
327.25418	100.0
328.25726	11.9
340.47437	0.5
353.23468	2.7
353.26999	0.6
354.23715	0.5
371.24368	10.9
371.28354	3.3
372.24652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67941	0.8
53.28326	0.8
55.47459	0.8
57.03445	1.8
59.01367	2.4
61.98845	0.7
71.02744	1.9
79.98943	0.8
80.12942	0.7
83.01382	2.8
98.00106	2.4
111.08156	1.1
121.61820	0.8
136.05298	1.9
143.48293	1.0
168.83940	0.7
226.94949	1.0
263.23779	2.4
264.86642	0.9
265.25385	49.8
266.25650	5.5
281.24878	8.3
282.24985	0.8
283.22934	1.7
283.26337	0.9
291.23273	1.2
309.24390	42.8
310.24817	5.4
327.25403	13.9
328.25632	1.9
353.23367	66.7
354.23749	6.8
371.24384	100.0
372.24728	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	371.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.4
57.03448	12.6
58.00594	2.1
59.01387	46.5
60.01709	1.1
61.98826	2.8
69.03455	2.0
69.54022	4.8
69.54438	2.2
71.01389	100.0
72.01729	1.2
72.99304	4.3
73.02953	24.4
75.00864	1.6
77.05975	1.0
81.03459	1.5
83.01396	13.3
83.05028	1.5
85.02962	41.7
87.00865	4.3
89.02460	26.8
93.03468	2.1
94.82064	1.1
95.01396	7.6
97.02984	2.3
98.19887	1.3
99.00892	13.5
101.02456	62.3
110.39608	1.1
113.02460	39.9
114.02789	1.2
119.03499	8.8
119.04983	1.0
123.08150	3.7
125.02444	1.9
129.01898	1.2
131.03531	1.5
131.56703	1.3
135.04494	4.8
137.02481	1.6
137.09723	1.3
143.03485	3.3
154.97998	1.1
159.02991	6.5
161.03252	2.1
161.04559	29.0
165.12828	1.2
168.84804	1.1
173.04475	1.6
179.05699	1.2
187.23149	1.1
191.05626	2.7
205.03545	1.2
209.08228	1.7
209.15482	15.8
216.53973	1.1
248.04861	1.3
253.43452	1.4
297.03992	1.4
371.11200	4.9
371.16562	1.9
371.20895	5.3
371.24716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2442
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.08965	0.8
57.03453	1.5
59.01392	4.2
60.27946	0.7
63.04074	0.8
69.80228	0.8
69.96214	3.8
72.99313	100.0
73.25430	0.8
76.76535	0.7
77.62689	0.8
83.01388	4.1
87.04499	1.6
96.71046	0.8
99.00883	1.0
99.94451	0.8
101.06068	1.6
121.03008	1.9
188.69273	0.8
205.79735	0.8
208.45779	0.9
237.22256	1.8
263.23648	1.2
265.25363	4.0
267.23175	0.9
271.22757	3.5
291.23318	3.0
297.24222	4.8
298.24756	0.9
309.24359	91.5
310.24765	10.3
311.22311	1.3
353.23340	95.8
354.23688	13.9
371.14957	1.5
371.24371	39.2
371.28311	1.8
372.24820	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	371.2441
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.40134	1.9
54.18598	1.5
54.33379	1.7
55.01878	4.0
56.24089	1.5
57.03439	4.3
58.92246	1.5
59.01391	9.1
61.69016	1.5
62.31079	1.9
63.05709	2.1
63.87584	1.8
71.01380	3.0
72.99322	4.7
73.02953	1.6
83.01397	100.0
85.02950	1.8
98.20660	5.6
101.02453	2.2
104.94115	1.5
121.02972	3.8
136.05299	4.7
145.04782	1.9
159.04530	2.0
168.04222	2.1
170.42476	2.2
173.05983	2.1
201.05582	3.1
217.08710	2.9
223.20671	2.0
235.20752	3.0
245.08176	5.8
269.21234	91.1
270.21564	10.2
274.12042	10.0
283.22876	1.9
291.23331	8.4
299.22501	2.1
307.22702	9.6
309.24442	13.0
310.24765	2.6
311.22195	3.4
313.23596	2.4
317.21127	6.9
325.23749	1.8
327.25211	8.4
335.18347	3.1
335.22293	52.8
336.22635	6.8
339.21750	2.0
353.23370	11.6
371.24316	65.9
371.28226	6.3
372.24792	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	371.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
59.01390	11.4
60.50458	1.7
65.68713	1.9
69.03419	2.8
70.34486	1.8
70.78560	4.1
71.01380	2.3
72.99309	4.6
75.00863	2.8
78.41461	1.5
83.01388	9.0
85.06598	1.9
87.00897	2.1
88.60209	1.6
96.95979	1.9
97.06591	1.7
113.02435	1.9
115.16390	1.7
121.02961	5.0
125.09615	1.9
126.66554	1.5
140.75572	1.8
155.10774	2.8
204.55138	1.7
247.20677	20.2
255.19716	3.9
265.21820	12.5
266.21991	2.6
273.18741	2.1
281.21341	1.7
283.22726	2.7
291.19687	17.7
292.19928	2.8
309.20834	28.6
310.21213	3.5
311.22305	2.1
327.21796	29.4
327.25363	3.4
353.19556	5.8
353.23483	2.3
371.15768	3.1
371.20691	100.0
371.24713	9.5
372.20966	11.6
372.24908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32092	0.7
57.03447	1.7
59.01385	4.8
60.64009	0.7
62.13378	0.9
69.32781	5.4
69.33186	1.7
71.01393	8.9
73.02941	2.9
83.01378	1.8
85.02961	4.9
87.00861	0.8
90.22198	0.7
98.19933	1.5
99.00903	1.5
101.02460	4.2
113.02462	2.5
119.03518	1.5
121.02880	0.8
123.45531	0.8
132.02205	4.9
160.00439	1.5
160.01675	14.5
161.04599	1.1
166.06396	1.9
173.04544	2.5
175.03981	0.9
181.08749	1.8
191.05647	1.1
197.06137	3.9
200.96568	0.7
207.08009	0.9
211.04008	3.8
211.07739	0.9
218.09512	0.9
225.05559	1.1
226.06351	1.9
226.09978	1.6
237.05545	1.1
239.03293	1.0
240.44496	0.8
242.09486	19.7
243.09785	1.7
245.08214	3.2
246.09004	7.6
251.07149	1.3
253.05051	1.7
253.08742	0.9
254.09467	2.1
257.09073	1.2
257.11771	9.5
265.05002	1.0
269.08023	0.9
269.11816	1.8
270.09012	17.0
271.09158	2.2
281.04562	5.1
281.08136	2.3
282.05795	1.5
282.08990	7.9
283.09726	2.6
285.11328	22.3
286.08563	1.0
286.11615	1.8
295.09720	2.8
297.07712	3.2
298.08423	15.9
309.07733	2.5
310.08429	9.8
311.09198	8.8
312.10083	1.9
313.10867	10.0
314.11594	0.9
323.09293	5.5
324.09924	6.4
325.10870	13.1
326.07962	16.1
326.11584	7.2
327.08469	2.6
339.12436	4.1
340.13113	5.0
341.10321	100.0
341.13660	3.8
342.10660	11.6
355.11914	2.2
356.12656	65.2
357.13129	9.0
371.15012	80.6
372.15295	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79165	1.1
55.01876	2.5
57.03452	1.6
58.00576	3.7
58.37708	1.1
59.01385	100.0
60.01711	1.0
61.98822	1.3
63.58054	0.9
64.77731	1.0
71.01389	48.7
72.99296	4.3
73.02943	3.2
83.01382	3.7
85.02958	14.3
87.00894	3.1
89.02456	63.3
91.05505	1.5
93.03438	2.1
95.01393	4.2
99.00879	1.5
101.01803	1.8
101.02458	36.6
107.57386	1.0
108.02210	1.1
113.02470	21.7
119.03513	31.6
125.17108	1.0
131.03534	2.6
134.03735	2.6
135.04553	6.9
143.03479	2.0
147.08208	2.3
149.04523	1.4
154.00591	1.1
161.04501	2.2
167.03578	1.2
173.04501	1.5
177.05386	1.0
179.03513	1.2
179.05608	3.7
191.03442	1.1
191.05623	3.4
191.07164	2.1
193.05063	4.4
195.25179	1.1
206.02220	2.3
207.06625	1.4
209.06648	5.7
209.08388	1.5
221.04553	2.8
232.30058	1.1
281.06708	2.6
293.06790	2.5
371.13477	92.4
372.13837	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	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.91486	0.8
55.01876	1.0
56.40343	0.9
57.03459	1.2
58.00594	4.2
59.01386	97.4
60.01739	1.0
61.98849	1.4
71.01389	52.4
72.99333	4.5
73.02928	2.1
74.02480	2.1
76.30948	0.8
81.78027	1.0
83.01391	6.7
85.02962	13.9
87.00882	2.2
89.02452	56.4
90.02811	1.2
91.05548	1.1
91.46008	0.8
93.03457	2.0
95.01380	4.6
98.19902	1.6
99.00863	1.1
101.02454	35.3
113.02459	22.7
119.03514	27.2
129.10330	2.0
130.08745	2.5
131.03505	1.4
135.04536	3.2
143.03496	2.3
144.74889	0.9
153.09177	3.0
155.89026	1.0
161.04526	1.2
171.11423	1.2
173.04556	2.2
176.72374	0.9
179.05600	2.9
191.03542	1.3
191.05624	4.8
191.07079	1.7
193.53482	1.1
197.08174	1.5
197.13068	1.0
209.04674	2.4
209.08145	1.5
225.18799	0.9
229.01471	1.2
233.04369	1.5
235.65631	0.9
242.18774	1.9
251.05574	1.2
311.07523	1.2
328.18726	2.5
371.13477	100.0
372.13776	10.5
372.21426	2.5
384.49817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
59.01382	47.8
71.01393	2.2
73.02970	0.7
83.01368	0.8
85.02962	1.0
91.60635	0.6
98.20670	1.5
101.02426	1.2
106.04262	1.7
107.05065	1.4
113.02428	0.9
147.08191	3.0
149.06088	63.8
150.06410	3.8
153.44775	0.6
161.04643	0.7
191.03432	0.6
191.83325	0.6
197.04512	1.5
209.08199	100.0
210.08525	6.3
294.16763	0.7
296.15210	0.6
371.13477	57.0
372.13913	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53608	0.5
57.03443	0.6
59.01382	3.9
61.98866	0.5
71.01386	11.2
71.55994	0.6
72.99320	2.1
73.02952	4.1
77.21877	0.6
83.01386	2.2
85.02947	3.8
86.01511	0.5
87.00898	1.0
89.02448	2.1
93.03493	3.0
95.01367	0.6
99.00890	1.7
99.04523	8.8
101.02453	8.6
102.02817	0.7
107.05019	1.3
108.02175	3.6
111.04510	0.9
113.02465	5.5
117.93818	0.6
119.05047	0.6
121.02945	2.0
123.04530	1.6
123.76778	0.5
125.02457	1.0
133.06538	0.5
135.04498	1.5
136.05261	0.8
137.02454	0.7
137.06087	7.2
139.07686	1.6
143.03479	0.7
147.04526	2.4
150.06871	2.8
151.68622	0.5
152.01164	2.8
153.05556	0.6
159.03018	2.2
161.02530	0.8
161.04579	9.6
161.05936	1.1
163.07625	0.7
164.08430	100.0
165.08820	6.7
167.03510	7.4
168.04155	0.5
173.04555	8.6
179.03508	0.7
179.07150	3.6
190.96893	0.5
191.03505	3.4
191.05505	1.2
194.05774	0.9
195.72418	0.6
197.04510	1.0
209.04544	5.7
209.08186	1.1
219.10223	0.7
233.04616	2.5
251.05632	4.0
281.06708	1.5
311.07779	5.7
371.09692	1.7
371.13751	5.9
372.13892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1195
Annotation	D-alpha-D-Hep-(1->6)-beta-D-Glc
Peak:m/z	Relative Intensity
55.01864	1.7
57.03453	2.1
58.00597	2.6
59.01383	44.0
59.16019	1.5
69.03468	11.6
70.34228	1.6
71.01385	23.3
71.54238	3.1
72.99306	3.5
73.02946	2.0
83.01373	3.1
85.02963	16.7
87.00881	21.4
89.02450	17.8
95.01398	2.0
97.02971	10.6
101.02450	14.6
113.02443	9.6
119.03503	7.5
133.65274	1.7
141.01918	4.8
142.81602	1.6
161.04587	2.9
171.00211	1.6
179.05492	1.4
185.62376	1.3
191.03979	2.7
191.05640	32.2
191.07372	2.1
192.05988	2.0
212.18346	1.4
304.24542	1.6
322.75461	1.5
371.11942	100.0
372.12399	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86250	0.5
57.03440	1.0
59.01384	12.0
60.28785	0.4
65.41084	0.5
67.01886	1.7
69.03465	2.3
71.01380	7.5
72.99292	1.4
73.02950	1.3
78.95905	1.8
80.04755	0.5
80.41712	0.5
83.01419	1.3
85.02959	10.6
87.00881	8.3
87.73139	0.4
89.02456	3.4
93.03469	8.9
96.95978	0.5
97.02959	1.7
98.20689	0.8
101.02457	2.7
109.02981	0.6
111.04528	1.8
113.02459	1.5
119.03480	0.7
119.97670	0.4
121.03001	0.6
127.04020	1.9
133.02965	0.7
135.04539	18.1
136.01662	0.7
136.04880	1.1
137.02454	1.9
141.01939	1.0
149.06097	6.3
150.06451	0.9
151.04019	1.1
155.03493	1.3
161.02431	3.0
173.04562	18.9
173.06050	1.1
174.04918	1.0
179.03493	2.0
191.05623	100.0
192.05972	4.6
197.04549	1.0
209.08205	10.1
210.08554	0.9
251.05693	0.6
258.48892	0.5
353.08707	5.3
356.57394	0.4
371.09995	10.4
371.12393	9.6
372.09888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03445	2.6
58.00600	0.9
59.01383	35.0
67.01881	0.9
69.03461	8.8
69.19167	6.4
69.79246	0.7
71.01385	22.4
72.99308	2.8
73.02959	2.5
83.01398	2.7
85.02956	14.4
87.00882	18.1
89.02452	16.3
91.42851	0.6
94.25043	0.6
95.01382	1.8
96.96028	1.4
97.02961	10.7
99.00912	1.4
101.01802	0.9
101.02450	12.6
111.00900	1.1
113.02447	7.6
115.03995	2.0
119.03513	6.0
123.00910	0.7
129.01976	0.9
131.03481	0.8
132.99178	0.6
135.04582	0.8
141.00980	0.6
141.01904	3.4
143.03481	0.8
159.02998	0.7
161.04614	3.2
165.07709	0.7
170.95364	0.7
179.05591	1.5
191.05634	8.6
205.28381	0.6
291.07080	0.7
321.08267	1.9
339.09415	1.5
371.11948	100.0
372.12262	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	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57851	0.4
57.03458	0.5
59.01116	0.5
59.01388	6.9
61.98836	0.8
69.03454	0.8
70.31406	1.1
71.01397	2.9
72.99321	0.8
73.02969	0.8
76.36715	0.4
78.95918	1.0
83.01400	0.9
85.02966	2.7
87.00888	3.7
89.02467	1.5
93.03474	2.6
96.96944	0.6
97.02962	1.1
101.02454	2.0
109.02966	2.8
111.00900	0.5
111.04560	1.8
113.02451	0.8
121.02996	0.6
127.04024	0.7
129.01901	0.4
131.23041	0.4
134.03770	1.8
135.04541	100.0
136.04868	4.8
137.02438	2.4
149.06097	4.7
152.01146	0.4
152.07231	0.4
155.03499	1.3
161.04642	0.5
163.05161	0.4
173.04556	10.3
173.06041	0.5
174.04875	0.6
179.03543	5.5
191.05627	19.6
192.05988	0.6
194.97049	0.4
197.04547	0.7
206.95486	0.4
209.08197	6.5
210.08537	0.8
212.60841	0.4
235.06163	1.1
239.10289	0.8
295.08185	0.4
311.00131	0.7
329.01273	0.4
353.08752	3.8
371.10043	6.4
371.12756	3.9
372.09967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.9
71.01384	6.8
81.03427	2.1
83.01391	8.5
89.02452	5.0
93.03480	2.5
101.02444	6.7
108.02153	3.0
114.55388	2.0
121.02953	3.2
122.03726	3.7
123.04536	5.0
124.01655	6.2
124.05051	1.9
131.05009	2.4
133.02957	4.1
134.03754	19.3
135.04556	16.3
136.05322	4.0
137.02390	2.4
145.03059	2.2
147.04549	5.6
148.05316	71.8
149.02449	4.5
149.06017	9.1
150.03246	1.9
151.00415	3.2
152.01178	26.9
160.05286	5.8
161.02449	8.8
161.06084	6.4
162.03232	26.8
163.03969	4.5
163.07666	57.4
164.04787	9.0
164.07973	3.2
165.05525	1.9
166.05112	2.5
172.05353	11.3
173.04601	3.4
173.06026	6.0
174.03302	2.0
174.06645	2.1
175.04002	9.6
176.01219	3.1
176.04781	3.6
177.05589	50.4
178.06340	14.8
178.99867	4.8
179.03467	2.3
179.07040	3.2
187.07617	4.6
188.04695	3.2
189.05530	16.0
190.04720	3.9
190.06364	51.5
191.03423	4.3
191.05595	3.9
192.04315	6.6
193.08676	6.3
194.02226	8.5
195.06592	8.0
197.04552	3.6
198.07646	2.1
202.06345	3.7
204.04236	6.9
205.04930	3.3
205.08725	33.7
207.06689	16.3
208.00214	16.7
209.00758	2.2
209.08153	5.5
217.08723	8.4
219.06647	17.8
220.07156	2.4
221.08253	5.4
223.06129	8.6
231.06659	4.9
235.06152	13.6
237.07664	13.7
249.07726	4.5
251.05627	100.0
252.05910	6.3
265.07483	1.9
265.10883	3.4
293.06638	4.9
309.09836	3.8
324.43335	2.1
327.10703	6.2
353.08716	16.7
371.06003	25.2
371.09830	56.6
371.13922	2.7
372.05997	2.9
372.10187	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	371.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.9
59.01385	18.7
60.03127	0.8
69.03458	2.7
69.18420	4.8
69.18856	4.2
71.01384	10.2
72.99322	1.2
73.02967	1.3
83.01398	1.8
85.02959	12.4
87.00887	9.7
89.02449	5.6
93.03477	4.8
97.02971	3.6
101.02470	5.2
102.81882	1.1
109.02987	1.0
111.04542	1.3
113.02477	3.6
119.03496	1.6
123.04548	1.3
127.04048	1.7
135.04543	18.7
141.01962	1.7
149.06068	6.1
152.01257	1.0
161.02472	1.2
167.48305	0.9
173.04553	7.3
177.05550	1.2
179.03549	1.4
191.05634	100.0
192.06013	4.3
197.04659	1.1
201.04150	0.9
209.08234	9.3
251.05621	1.5
282.38522	0.9
289.50970	0.9
353.08887	1.5
359.56985	1.0
371.05774	1.4
371.12119	32.9
372.12720	2.1
385.96228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.9
59.01385	18.7
60.03127	0.8
69.03458	2.7
69.18420	4.8
69.18856	4.2
71.01384	10.2
72.99322	1.2
73.02967	1.3
83.01398	1.8
85.02959	12.4
87.00887	9.7
89.02449	5.6
93.03477	4.8
97.02971	3.6
101.02470	5.2
102.81882	1.1
109.02987	1.0
111.04542	1.3
113.02477	3.6
119.03496	1.6
123.04548	1.3
127.04048	1.7
135.04543	18.7
141.01962	1.7
149.06068	6.1
152.01257	1.0
161.02472	1.2
167.48305	0.9
173.04553	7.3
177.05550	1.2
179.03549	1.4
191.05634	100.0
192.06013	4.3
197.04659	1.1
201.04150	0.9
209.08234	9.3
251.05621	1.5
282.38522	0.9
289.50970	0.9
353.08887	1.5
359.56985	1.0
371.05774	1.4
371.12119	32.9
372.12720	2.1
385.96228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01378	4.6
61.98845	1.9
62.79759	1.7
71.05045	2.1
71.55463	2.5
82.53508	1.5
94.60286	1.4
99.00885	2.1
163.11244	7.0
183.01248	2.5
188.20506	1.4
193.12367	8.9
224.04779	1.4
240.01149	1.7
251.23846	3.6
289.25540	4.1
307.26459	12.8
311.17151	3.5
314.01797	1.6
323.26138	2.5
325.27408	22.0
326.27878	2.9
333.24341	25.7
334.24805	2.9
351.25467	20.2
352.25739	2.2
369.26529	100.0
370.26862	13.6
373.32434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.78659	1.5
59.01377	4.0
71.47979	1.5
71.56428	2.3
83.05053	2.7
105.19126	1.5
281.28610	3.6
305.28418	3.2
307.30072	48.3
308.30453	7.9
325.27542	2.5
351.28937	14.4
352.29230	2.0
369.30124	100.0
370.30368	15.8
381.33588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03195	1.3
57.03453	13.0
63.77234	0.8
69.03452	1.6
69.95968	3.5
71.05029	24.9
81.03428	1.3
83.05013	1.5
96.01460	0.7
99.04529	1.3
99.29366	0.8
118.12662	0.9
200.07088	0.8
263.10153	0.8
267.26947	43.9
268.27338	3.9
281.28497	30.0
282.28906	3.3
291.26974	0.9
309.28070	1.2
323.29657	1.3
325.31131	22.6
326.31390	3.1
369.30099	100.0
370.30484	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	369.2649
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
57.03453	1.4
59.01378	6.1
61.98828	2.6
66.48246	0.9
71.05024	3.3
72.99311	6.6
75.00877	6.1
83.05074	1.1
96.73998	1.2
119.04862	1.0
125.14622	1.1
138.36583	1.1
176.79227	1.2
225.31508	1.3
228.98233	1.3
233.56001	1.4
251.23849	1.3
254.18153	1.2
265.25394	2.6
267.23456	2.0
279.26846	2.2
284.17581	1.1
289.25488	3.6
297.24380	2.3
307.26395	21.1
307.29681	1.5
308.26563	2.7
325.27478	16.5
326.27808	2.6
327.25528	2.1
333.24377	24.6
334.24765	3.3
351.21005	2.1
351.25418	55.4
352.25745	7.8
369.26456	100.0
370.26712	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	369.2284
Annotation	19-hydroxyprostaglandin H1
Peak:m/z	Relative Intensity
57.03442	3.5
59.01382	12.3
61.98827	1.2
69.03451	0.9
69.53670	5.9
71.05020	2.1
72.99327	1.5
73.02953	1.1
78.95902	3.5
86.03734	1.3
90.97147	1.1
96.96966	6.6
97.02962	1.0
98.19863	1.4
99.04523	3.1
112.80688	0.9
118.96603	1.0
128.82759	0.8
139.11285	0.8
171.10365	1.2
174.99167	1.2
193.47726	0.9
207.17577	2.4
223.20665	5.8
224.21089	0.9
229.35226	1.0
239.20201	1.7
251.16515	2.1
251.20166	11.4
251.22971	1.4
251.23820	1.3
263.23813	3.3
269.17694	3.5
269.21259	2.4
279.23334	5.4
281.24911	2.9
289.21689	1.4
293.17288	1.1
293.20801	1.1
305.10690	1.1
307.22845	13.5
308.22897	2.0
311.22406	1.5
323.11755	3.0
325.13422	3.3
325.23856	100.0
326.24194	13.0
327.14868	3.9
343.37048	0.9
351.21875	3.7
369.15942	38.3
369.22812	27.5
369.26682	4.5
370.16196	4.0
370.23203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1922
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
50.74137	1.8
57.03456	8.6
59.01376	10.0
61.98851	2.0
69.03450	4.7
71.01370	3.7
71.05014	6.0
72.99310	1.9
79.51254	1.5
83.05033	3.5
95.05016	16.0
97.05991	2.0
97.06596	37.3
98.19765	3.2
98.83831	1.5
99.04505	2.6
100.74280	1.6
105.88058	1.6
123.04585	2.0
123.08190	3.1
125.09711	9.7
127.11293	5.7
130.61372	1.6
139.11314	1.9
151.07661	20.0
155.10770	4.2
159.06587	1.6
169.08716	95.6
170.09013	4.8
173.11842	100.0
174.12152	6.2
192.63739	1.6
213.11269	1.5
229.36705	1.7
281.21127	4.4
307.19238	2.9
307.22720	1.6
325.20187	20.7
325.23849	4.8
351.18076	5.7
351.21906	2.7
352.21906	1.8
369.19104	98.4
369.22943	10.2
370.19498	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83972	1.6
51.12103	1.8
52.59859	1.8
53.82573	1.5
57.03458	8.7
59.01384	10.0
62.51718	2.1
64.45715	1.9
69.03461	3.8
71.01380	4.9
71.05015	6.8
71.54165	3.1
83.05022	2.9
95.05037	20.3
97.05981	2.6
97.06593	36.6
99.04551	1.8
123.08154	2.8
125.09731	7.7
127.11282	6.4
133.06541	1.8
151.07661	20.5
155.10776	4.1
169.08714	100.0
169.29990	1.9
170.09082	3.9
173.11838	95.0
174.12199	3.5
195.06871	2.0
281.21054	2.7
307.22614	4.6
325.20142	17.2
325.23846	4.3
351.17950	3.9
351.21799	3.7
369.19110	89.8
369.23013	11.6
370.19522	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	367.2491
Annotation	Protoconstipatic acid
Peak:m/z	Relative Intensity
57.03458	1.2
59.01390	3.0
61.98843	1.7
69.03471	0.9
70.93279	0.7
81.03531	0.7
103.47573	0.6
162.45740	0.7
166.93307	0.7
168.43465	0.6
172.42798	0.8
229.07747	0.7
230.73271	0.7
249.22432	1.1
251.23775	2.2
277.25452	1.5
279.27002	2.9
289.39752	0.7
295.26184	0.8
305.24973	4.0
323.25928	100.0
324.26260	11.1
349.23877	4.8
367.24896	95.9
368.25266	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
71.42985	2.2
99.00886	31.3
128.59100	1.6
149.09715	11.1
152.77689	1.7
163.11302	3.1
205.15938	7.4
206.16321	1.9
305.28589	2.3
323.29572	100.0
324.29892	14.1
339.23181	7.0
349.31161	1.9
367.22748	6.8
367.28333	69.3
367.32324	24.1
368.23712	1.5
368.28659	10.9
368.32706	4.6
387.82846	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	367.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33778	1.4
58.81816	1.4
59.01374	2.1
70.52341	1.4
70.69364	3.3
70.69704	2.9
89.67176	1.7
99.00894	12.5
99.04532	2.5
189.69705	1.8
203.25743	1.6
206.00818	1.6
246.54541	1.8
279.16821	1.5
323.29565	100.0
324.29922	13.8
367.23608	4.0
367.28485	68.7
367.31882	3.1
368.28824	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	369.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03436	1.5
59.01384	10.2
61.99596	0.8
65.08968	0.8
69.39077	0.9
71.01395	11.2
71.54584	1.0
73.02953	3.8
75.00848	1.1
78.95911	54.8
81.03464	0.8
83.01385	2.8
84.81240	0.8
85.02960	8.6
87.00858	3.5
87.06011	0.8
89.02448	4.3
93.03462	4.4
95.01394	1.9
96.96970	100.0
99.00892	2.5
101.02438	13.1
101.61832	0.8
105.03482	1.9
107.04989	1.1
108.02206	0.9
109.02973	2.3
111.04532	1.2
113.02464	4.6
123.04526	2.0
125.02445	0.9
127.04028	1.1
129.01976	1.6
133.02975	14.1
134.03250	1.0
135.04527	2.8
151.04015	2.3
159.02983	0.9
161.04597	6.6
173.04562	4.8
177.02002	0.8
179.03433	1.3
189.04138	1.1
191.05611	10.9
192.05989	1.2
195.02974	7.1
202.27435	0.7
207.05089	15.2
207.08614	2.0
237.07399	0.9
237.09813	17.4
238.10002	1.0
369.09012	1.5
369.13913	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
57.03451	2.7
58.00591	1.0
59.01384	23.7
69.03458	0.5
69.34949	0.8
69.35357	3.0
71.01387	27.3
71.05034	0.6
72.01711	0.4
72.99300	1.2
73.02556	0.8
73.02954	13.6
73.03365	0.8
73.06561	0.7
75.00882	0.6
79.89259	0.4
83.01398	7.3
84.01713	0.4
85.02961	16.6
86.00084	1.0
87.00882	2.0
87.40476	0.4
89.02450	3.7
89.03985	0.5
93.03474	1.8
95.01395	1.8
99.00893	6.7
101.02453	36.0
102.02823	0.7
111.00859	0.4
111.04527	1.4
113.02462	14.8
117.03475	2.0
125.02437	1.3
129.01941	1.3
131.03539	0.9
131.16156	0.4
134.03754	22.4
135.04106	0.8
143.03482	1.3
144.22707	0.3
149.06075	1.7
155.03499	1.0
159.02998	3.5
161.04570	16.4
162.04950	0.5
169.24234	0.4
173.04532	2.1
191.05635	5.0
193.05075	29.2
194.05412	2.0
226.88408	0.4
235.11882	100.0
236.12233	6.2
240.57948	0.4
279.10815	0.5
367.10587	1.6
367.16077	9.4
367.20612	0.5
368.16403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25709	0.5
55.01878	3.7
57.03458	3.8
58.00600	1.4
59.01382	32.6
60.01725	0.9
61.98843	7.2
69.03454	0.9
71.01389	42.9
71.56377	0.9
72.99317	2.6
73.02950	18.8
75.00875	0.5
81.03456	1.4
83.01395	16.4
83.05049	0.8
85.02960	25.0
86.00122	1.2
86.03353	0.8
87.00895	3.6
89.02450	6.2
89.03979	1.6
93.03464	4.7
95.01395	2.9
97.03006	1.6
99.00898	7.6
99.04514	0.8
101.02453	50.2
102.02803	1.7
103.04059	1.4
109.03002	0.9
111.00908	1.2
111.04542	2.9
111.22604	0.5
113.02460	18.4
114.02766	0.8
117.03484	5.5
119.03537	2.0
119.05080	0.6
121.02972	1.8
122.03770	0.9
124.01757	0.7
125.02465	2.0
127.04060	1.1
129.01941	1.5
131.03474	0.8
131.07149	0.7
134.03757	58.8
135.04114	2.4
137.02434	0.9
139.04030	1.7
143.03517	1.7
145.05063	0.6
149.02443	3.4
149.06094	4.4
151.04050	1.1
155.03506	2.0
159.02982	4.0
161.04576	17.3
161.05907	1.2
162.04942	0.6
163.06194	0.8
173.04533	6.9
179.03528	0.6
191.05591	9.5
193.05067	62.0
194.05414	4.5
205.03499	0.8
221.10315	100.0
222.10687	5.3
229.01468	0.8
229.07262	0.6
235.11949	4.1
265.09314	0.9
296.11514	0.6
312.65021	0.6
367.10562	4.2
367.16034	29.1
367.20313	1.5
368.16534	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	367.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.6
69.39989	0.7
69.40403	0.5
71.01395	0.2
79.95757	1.5
93.03453	0.7
96.96021	100.0
97.95969	0.3
101.02463	0.2
111.04498	0.1
134.03694	0.4
173.04539	1.3
179.03494	0.2
191.05667	0.8
193.05032	0.3
227.12845	0.8
287.15012	2.3
367.10684	15.6
368.11066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15570	18.5
57.03449	25.2
58.93947	20.3
59.01385	43.7
69.26408	63.5
69.26825	100.0
72.74531	20.2
78.36225	19.1
93.03479	31.7
94.65836	19.0
98.20689	41.7
133.02956	44.2
134.03723	36.3
135.04544	58.8
138.93860	18.7
153.99312	21.4
155.03554	26.7
163.07607	28.3
173.04556	82.0
179.03477	22.9
184.20052	18.6
191.03755	19.9
191.05620	87.0
218.04016	18.9
267.42700	19.0
270.39816	20.9
280.05841	37.2
367.10275	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.6
60.99301	5.0
67.01893	8.7
68.09764	3.8
69.03442	4.2
69.24422	32.2
69.24848	12.4
71.01384	9.1
80.69572	4.6
85.02943	9.6
87.00867	7.0
89.02434	5.0
93.03468	45.2
95.54341	4.1
96.96022	100.0
98.19855	10.0
101.02444	6.1
111.04461	5.4
133.02960	7.3
134.03780	6.2
135.04517	15.2
165.05479	8.4
173.04576	33.9
176.03926	7.1
179.03491	5.1
191.05617	69.8
258.06497	7.8
367.08420	21.0
367.14615	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.7
71.01355	31.5
74.58881	30.5
79.08596	28.6
86.65797	33.6
93.03442	49.9
94.44573	31.2
94.48762	28.5
134.03755	47.2
162.92482	28.1
173.04521	69.1
184.78415	32.1
191.05623	100.0
306.13113	30.6
367.14767	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29029	3.9
58.78952	6.2
59.01372	19.4
59.63229	4.3
60.13003	4.6
67.01900	5.4
69.22919	41.7
71.01385	9.9
78.51839	4.6
85.02940	7.4
87.00887	7.5
93.03482	26.8
95.92116	5.5
96.96018	100.0
102.75749	4.2
111.04503	5.0
118.19709	4.2
133.02943	4.5
134.03748	12.5
135.04550	7.1
147.77632	4.7
173.04523	24.9
179.03474	8.9
191.05603	42.9
193.05045	9.9
255.12161	4.8
358.50562	4.8
367.10565	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03449	1.6
58.00594	1.2
59.01383	22.6
60.01714	0.5
61.98835	10.6
67.01889	1.0
69.03474	0.6
69.35601	4.4
71.01385	32.5
71.05034	0.5
72.01715	0.8
72.99324	1.0
73.02956	17.1
75.00893	1.2
81.03461	0.8
83.01392	6.4
83.05031	1.3
85.02954	17.5
87.00878	4.9
89.02451	9.4
89.03986	2.1
93.03468	6.4
95.01396	2.3
97.02955	1.1
99.00890	6.4
101.02448	31.5
102.02788	1.0
111.00879	1.2
111.04520	3.5
113.02454	13.6
115.04000	0.7
117.03468	8.4
119.03519	0.7
121.02976	0.9
122.03719	0.7
125.02469	2.2
129.01926	1.5
131.03526	2.8
134.03751	87.9
135.04063	3.8
137.02466	1.2
139.04012	1.1
143.03525	2.0
149.02470	1.6
149.04726	1.2
149.06093	4.7
155.03520	3.4
159.03023	2.8
161.04555	12.4
173.04568	8.4
174.82077	0.5
177.02046	0.6
191.05623	13.8
193.05060	100.0
194.05432	5.7
233.06654	1.0
235.11877	55.0
236.12260	2.9
240.04605	0.5
258.06479	1.0
258.56519	1.1
280.06052	1.2
293.08902	0.6
367.10440	5.9
367.16052	47.3
368.12103	0.7
368.16360	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	365.1953
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
56.08602	1.0
57.03453	2.4
59.01387	6.9
65.05016	0.9
69.27373	9.1
83.01383	2.0
97.06588	2.9
123.08161	3.6
125.02460	21.1
125.09743	10.6
141.09236	4.3
157.83701	0.9
163.07571	1.6
165.09009	2.2
167.10596	1.2
171.10149	1.3
173.11861	11.9
181.08472	2.6
191.06888	11.2
193.08464	32.1
194.08786	1.4
195.10063	7.4
209.07977	18.9
214.62175	1.0
221.44109	1.0
239.09018	3.0
275.20093	2.5
277.21829	1.0
291.19598	3.8
293.21140	1.1
365.19440	100.0
365.23227	6.8
365.27029	2.6
366.19797	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	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01377	2.2
60.99302	0.6
62.14488	0.3
67.01894	5.9
69.03459	0.9
71.01388	3.5
71.33696	0.4
72.25174	0.3
81.03482	0.9
83.05031	0.8
85.02969	1.4
87.00880	0.6
89.03995	0.4
93.03468	27.3
94.03802	1.3
108.02164	0.4
109.02955	1.1
111.00893	1.0
111.04536	4.2
113.02451	0.8
117.03466	2.2
127.04024	0.8
132.59819	0.3
134.03754	25.9
135.04106	1.0
137.02451	4.1
149.06081	1.8
155.03494	4.8
173.04561	100.0
174.04913	4.1
177.05589	0.3
191.05646	5.0
193.05067	17.1
194.05391	0.8
206.75441	0.4
238.06612	0.5
278.05798	1.1
299.68857	0.3
306.05304	0.6
307.06079	0.6
314.68814	0.3
321.07700	1.7
322.08258	0.7
335.09143	0.4
336.10132	0.8
337.07056	1.6
337.10849	0.4
352.09784	0.5
367.10324	2.7
368.11331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67616	0.7
57.03459	1.2
58.67718	0.7
59.01376	3.6
60.99313	1.7
67.01893	9.2
69.03471	2.6
71.01384	4.8
81.03481	2.0
83.05020	2.2
85.02955	5.9
87.00882	9.0
93.03467	55.5
94.03781	2.1
99.00913	1.0
99.04543	1.0
106.44032	0.7
109.02978	1.0
111.00908	1.1
111.04533	8.9
117.03495	2.5
125.79565	0.7
127.04040	1.7
129.01961	0.9
134.03749	30.2
135.04073	1.3
137.02443	5.1
149.06102	2.4
155.03516	4.9
173.04559	94.3
174.04930	3.7
178.71797	0.8
191.05621	100.0
192.05965	4.9
193.05061	18.8
194.05334	1.1
205.94609	0.7
367.10376	5.4
375.89816	0.8
392.30627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01382	6.1
61.98812	1.0
67.01881	0.7
69.03457	0.8
69.52319	4.8
71.01386	1.9
75.00862	1.7
83.05036	1.6
83.67420	0.6
85.02947	2.6
87.00865	4.5
89.02453	1.3
93.03468	9.0
101.02465	1.5
106.02859	0.7
108.41999	0.7
111.04529	5.4
113.02488	1.0
119.05022	1.6
127.04044	0.9
134.03748	86.6
135.04095	3.4
137.02470	3.8
139.03996	1.2
149.06093	8.4
150.03265	1.1
155.03499	3.6
163.04024	0.9
173.04561	13.0
174.04817	1.0
178.02681	5.3
179.01616	0.7
191.05611	16.0
193.05061	100.0
194.05399	6.0
237.06108	0.9
280.05899	2.1
280.56122	1.5
355.73444	0.7
364.88989	0.8
367.10260	7.3
367.16003	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03440	3.6
58.00585	0.9
59.01384	29.6
61.76232	0.8
62.47564	0.8
69.03465	1.3
69.22647	7.4
71.01387	15.9
71.04642	1.5
71.05027	26.3
72.40066	0.8
72.99309	1.8
73.02942	4.0
75.76360	0.8
82.02985	10.0
83.01405	2.0
83.05022	1.6
85.02957	4.6
85.06588	3.0
87.04529	1.5
89.02460	14.8
95.01390	1.6
97.06612	1.1
98.19862	1.6
99.00906	0.9
99.04516	1.4
101.02457	10.8
113.02454	5.8
113.09795	0.8
115.07619	2.0
119.03514	4.7
122.06146	1.9
123.08143	1.1
129.01932	1.0
133.90541	0.8
136.04044	5.2
137.09698	1.5
139.10223	1.2
139.11295	17.3
140.11655	1.2
141.09190	1.6
143.03563	0.9
153.09196	1.2
155.10754	3.0
159.10248	1.7
161.04532	1.2
164.03563	11.4
165.09244	5.5
167.10829	1.5
179.05560	1.6
183.10275	100.0
184.10625	5.8
194.04613	5.1
196.06094	4.9
201.11363	7.1
202.08720	1.0
229.06084	0.8
238.52502	0.8
244.09842	1.4
270.07541	1.1
272.34732	0.8
287.10370	23.7
288.10718	2.6
301.20221	0.9
330.74057	0.8
331.09406	8.7
332.09689	1.6
345.22864	2.9
363.11963	1.2
363.16827	25.5
363.23865	62.4
364.17209	2.2
364.24161	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29797	0.7
55.01878	4.8
57.03455	15.6
58.00587	3.9
59.01386	100.0
60.01730	0.9
61.98829	1.7
69.03455	0.8
69.60979	1.4
69.61388	3.7
71.01389	89.1
72.01711	1.6
72.99331	4.2
73.02951	17.0
74.82456	0.6
75.00875	1.1
81.03439	0.9
83.01394	10.8
85.02957	32.1
86.25105	0.7
86.25701	0.7
87.00901	4.4
87.04539	2.9
89.02453	60.5
90.02765	1.5
93.03461	1.6
95.01398	6.9
97.02946	1.3
97.06633	2.6
99.00889	7.6
99.04537	13.5
101.02454	69.7
102.02800	1.5
113.02464	36.7
114.02835	1.5
115.07713	1.3
119.03517	25.4
125.02486	4.5
129.01981	1.0
131.03535	2.2
136.07716	1.5
138.05629	1.6
143.03537	6.5
143.12706	0.8
146.08578	0.8
147.04521	1.2
149.04587	1.4
159.03011	5.7
161.04579	39.3
162.04898	1.7
173.04556	1.1
179.04103	1.4
179.05603	13.1
191.05646	4.2
203.12897	12.7
204.13251	0.9
221.10272	5.3
225.47310	0.8
231.11629	0.7
259.14484	2.8
270.44608	0.7
312.91681	0.6
347.12759	1.1
365.18192	63.5
366.18567	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25245	0.7
55.01883	0.8
55.16899	0.6
57.03450	1.2
57.24728	0.9
57.25718	0.7
58.00610	1.2
58.25938	0.7
59.01113	1.3
59.01386	17.2
71.01389	10.4
72.00445	0.8
72.99332	0.8
73.02951	2.7
83.01379	1.9
85.02943	4.6
87.00877	1.2
88.36273	0.8
89.02453	8.0
93.03542	0.7
95.01392	1.3
101.02449	9.9
113.02472	4.6
119.03522	2.1
126.15733	0.7
127.11317	1.6
155.10939	1.0
157.12364	9.3
173.04662	1.1
185.11981	1.0
199.13354	0.8
203.12901	23.2
204.13211	1.6
245.25012	0.7
320.17825	0.8
347.17371	1.0
365.18176	100.0
366.18570	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.4
57.03449	12.6
58.00595	3.0
59.01383	100.0
61.98837	1.5
69.03464	1.1
69.82942	4.9
70.98072	0.8
71.01385	83.5
72.01718	2.1
72.99306	4.0
73.02948	18.8
75.00842	2.0
81.03441	1.0
81.17336	0.8
83.01393	10.5
85.02956	28.9
86.07936	0.8
87.00883	4.8
87.04516	2.5
89.02451	64.3
90.02777	1.1
93.03458	0.9
95.01385	5.6
96.64581	0.9
97.02973	1.3
97.06602	2.6
99.00903	6.8
99.04526	7.0
101.02450	68.7
102.02795	1.0
113.02461	34.3
113.43604	0.9
115.07649	1.3
119.03505	26.0
121.35880	0.9
125.02448	3.5
129.01790	0.9
131.03491	3.4
137.87964	0.8
138.05582	1.0
143.03502	7.3
149.04587	1.8
159.03004	5.7
161.04565	37.6
162.04852	1.2
168.64569	1.0
179.05621	13.2
191.05603	2.9
203.12910	11.2
221.10385	2.1
244.52374	0.8
259.14468	1.5
276.22833	0.9
287.33188	0.8
347.12735	1.0
365.18155	69.5
366.18488	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13815	0.4
55.01888	0.9
57.03437	1.1
59.01118	0.9
59.01387	11.6
69.68261	2.4
71.01009	0.9
71.01385	12.0
72.99302	1.7
73.02943	3.6
83.01386	1.6
85.02967	4.4
86.00143	0.4
87.00885	1.6
89.02468	2.1
95.01397	0.9
98.20625	0.8
99.00889	1.3
101.02442	6.0
105.16171	0.4
111.00881	0.9
111.98602	0.4
113.02467	2.3
119.03458	0.8
125.09704	0.6
133.02950	0.6
155.10742	0.9
161.04575	1.0
167.07159	0.6
173.04562	0.5
176.94232	0.4
183.10251	1.6
184.27605	0.4
201.11342	24.8
202.11662	1.5
209.20773	0.4
218.65355	0.4
241.80766	0.4
243.12389	0.9
254.64931	0.4
259.67059	0.4
345.15509	2.6
363.16632	100.0
364.17017	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03437	2.5
59.01384	27.1
65.99857	1.1
69.38936	5.6
71.01386	21.9
71.63786	0.6
72.99301	3.1
73.02954	8.4
82.02990	12.1
83.01392	5.2
83.03357	0.7
85.02959	10.6
86.00071	1.0
87.00877	1.9
89.02463	8.1
92.75786	0.7
93.03458	0.7
94.02966	1.1
95.01416	2.0
99.00880	3.0
101.02451	22.6
108.04562	1.4
113.02469	8.6
119.03529	1.9
122.06149	1.6
123.03266	2.3
125.02435	1.1
136.04048	9.4
136.07700	3.5
138.05627	8.0
139.11316	1.2
155.10814	0.7
159.02957	2.1
160.07697	0.8
161.04543	4.1
161.07230	0.8
164.03561	14.4
176.07300	1.0
177.10342	0.7
179.05563	0.9
183.10277	5.7
194.04607	7.7
195.05255	2.2
196.06174	9.0
197.06599	0.9
201.11337	4.5
217.06381	0.7
227.08366	3.6
231.11368	3.0
242.10724	3.4
244.09848	2.2
245.09523	1.1
257.12982	17.7
258.13251	1.4
259.07388	0.9
259.10812	1.0
270.07669	1.6
271.07321	1.4
272.07950	0.8
287.10388	31.3
288.10684	3.2
291.10233	0.9
291.14441	1.8
313.08279	0.9
317.16147	1.4
319.17596	1.0
331.09363	13.5
332.09818	1.4
345.10889	2.5
363.16626	100.0
364.16858	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62556	0.5
55.01889	1.1
57.03444	1.4
58.00576	0.4
58.34016	0.4
59.01387	18.1
60.61343	0.5
62.67071	0.5
66.83813	0.4
69.61579	0.9
69.61995	1.9
71.01389	11.2
72.99299	1.2
73.02969	2.9
83.01402	2.4
85.02959	5.3
86.00122	0.6
87.00898	2.2
87.04549	0.4
89.02460	6.3
95.01347	0.5
99.00880	1.1
101.02442	7.7
111.00903	0.6
113.02441	3.2
119.03510	1.7
136.07675	1.0
138.05634	1.7
139.11334	0.6
161.04478	0.5
165.09224	0.7
183.10281	3.5
191.05675	0.6
201.11348	25.7
202.11652	1.6
227.08244	0.7
257.12881	3.3
345.11340	0.5
345.15695	2.0
363.16626	100.0
364.16965	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	363.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33302	0.7
59.01381	2.0
63.02402	3.2
65.00336	3.5
69.23679	3.9
69.24094	2.5
71.01375	1.0
76.51718	0.6
77.09386	0.7
83.01402	2.6
86.46987	0.7
93.03452	0.9
107.01392	8.3
108.02184	0.9
123.00930	1.0
123.04466	0.9
151.00386	27.8
152.01161	6.3
154.58403	0.7
167.03557	2.3
169.01421	0.9
173.04379	0.7
178.99875	10.2
185.02504	0.8
210.38101	0.8
225.01863	0.8
227.03400	3.4
242.02206	17.8
243.02878	6.0
244.03397	0.8
255.03070	1.2
256.03674	0.8
263.44510	0.7
270.01654	9.9
271.02487	30.4
272.02890	2.4
282.01694	3.7
284.03210	3.7
285.04083	34.1
286.04636	5.9
287.05655	1.2
299.01990	34.5
300.02615	6.4
313.03564	24.8
314.04318	21.4
315.05045	6.0
345.06171	100.0
346.06461	11.0
363.07227	12.5
363.24127	1.4
364.07507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03439	4.5
59.01384	47.9
61.98832	2.3
67.34845	2.1
69.03459	2.2
70.02208	3.3
70.02575	8.3
71.01391	35.0
72.47313	1.8
72.99290	3.2
73.02940	6.0
82.02988	28.2
83.01388	8.6
85.02950	12.2
89.02453	16.1
93.03463	9.0
94.02999	2.2
99.00885	2.8
101.02448	21.2
111.04488	1.9
113.02453	10.8
119.03541	4.5
121.78642	2.0
122.06107	4.6
125.02390	2.0
133.02992	2.4
136.04063	21.2
136.07640	1.9
139.11295	8.5
146.06131	3.1
155.90314	1.7
160.85475	1.9
161.04590	5.2
164.02286	3.2
164.03537	31.4
168.41522	1.9
173.04579	23.1
176.07103	2.1
183.10283	14.3
190.05127	2.8
191.05536	2.2
194.04601	20.5
195.05269	6.9
196.06148	22.7
201.11345	5.2
204.06656	3.0
231.07672	3.6
231.11354	7.7
244.09776	4.6
245.09383	3.6
257.12888	5.6
258.06424	2.1
269.08994	1.9
270.07739	6.4
271.07251	2.3
287.10385	78.6
287.13620	4.0
288.10754	5.2
291.10007	1.9
291.14410	5.2
300.15674	2.8
317.16071	6.4
331.09338	37.1
332.09680	3.0
363.12033	10.4
363.16556	100.0
364.16904	7.9
369.74979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75042	0.4
52.11366	0.3
57.03454	33.4
58.03777	0.4
59.01389	2.4
63.34769	0.3
63.64362	0.4
65.47488	0.4
68.77175	0.3
69.03456	3.9
69.25811	2.7
69.26227	0.7
71.05019	0.8
76.11198	0.3
83.05038	0.7
85.06595	11.2
87.04529	0.7
87.49293	0.4
93.03484	0.6
97.06596	1.8
98.19927	0.7
99.08169	3.8
113.02409	0.4
113.09731	1.9
119.15776	0.4
123.08146	0.9
125.09754	0.9
127.07662	0.5
131.10725	0.4
135.04568	0.5
137.09723	0.7
141.09235	1.1
141.12947	0.4
143.10788	16.1
144.11197	0.9
153.12868	3.2
155.10805	1.0
157.97792	0.4
161.02455	1.4
171.13907	2.7
173.04558	1.3
173.11807	0.9
176.04068	0.6
179.03522	0.5
181.16072	1.0
191.05635	0.6
195.13922	0.6
199.07965	0.4
199.17105	0.7
211.17038	1.7
213.15047	0.4
215.96910	0.4
229.18092	13.1
230.18413	1.2
241.17867	0.4
255.23422	0.4
273.24292	0.8
279.23557	0.4
280.59729	0.4
297.24515	1.0
299.22211	0.8
313.27536	0.7
315.21863	0.7
315.25415	9.6
316.25671	0.5
343.28531	2.5
345.26370	0.8
361.29620	100.0
362.25540	0.8
362.29947	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	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88519	1.1
52.08420	1.1
59.01387	100.0
64.08931	1.3
71.01382	3.9
71.27441	2.0
71.78690	1.3
85.02959	1.8
85.55035	1.0
89.02450	3.5
93.03490	2.6
101.02423	3.2
113.02456	2.3
118.45961	1.0
119.03537	1.3
119.04993	1.3
119.61710	0.9
134.79066	1.0
137.32730	1.2
140.07193	70.7
141.07570	1.3
163.03987	3.6
173.04539	4.5
181.51978	1.3
183.10263	1.3
191.05597	1.6
201.11313	2.9
265.07068	1.8
278.67722	1.1
297.11655	1.2
302.12354	1.7
362.14990	1.3
363.16611	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	361.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96609	0.3
57.03455	34.7
58.03790	0.5
59.01379	3.1
64.43613	0.4
69.03465	3.9
71.05029	1.0
77.26260	0.3
83.05019	0.5
84.07626	0.4
85.06590	9.4
87.04517	0.5
93.03443	0.4
97.06590	2.0
99.08169	3.8
108.14370	0.4
113.09732	1.7
123.08157	1.3
125.09739	1.2
127.07672	0.7
129.09097	0.4
133.03001	0.5
135.04533	0.4
137.09715	0.6
141.09229	0.9
143.10788	16.1
144.11124	0.7
153.12878	2.6
153.41728	0.4
155.03694	0.4
155.10779	1.4
161.02441	2.3
171.13950	3.0
173.04559	1.3
173.11853	0.7
179.03522	0.5
181.15981	0.7
191.05617	0.5
195.13826	0.4
199.08032	0.5
211.17052	1.7
213.14978	0.8
227.16678	0.7
229.18088	13.0
230.18423	1.0
231.48065	0.4
241.17987	0.5
255.23570	0.5
257.21167	0.5
273.24319	0.6
280.09497	1.0
281.21362	0.4
284.78152	0.4
297.24405	1.2
299.22144	0.9
313.27542	0.8
315.25418	9.0
316.25662	0.8
327.25238	0.6
331.24957	0.4
343.28580	1.7
345.26700	0.6
361.29623	100.0
362.29935	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	361.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54689	15.4
59.01388	100.0
116.01499	16.4
127.58968	16.7
145.55864	15.8
185.10100	20.6
236.68886	17.6
286.90225	16.6
349.37280	18.5
361.27600	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	361.2751
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
59.01373	0.5
59.97429	0.2
61.98828	0.3
68.21118	0.2
82.22804	0.2
90.63216	0.2
98.25229	0.2
151.11053	0.3
361.27496	100.0
362.27832	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	361.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77599	0.3
57.03453	14.4
58.00603	2.3
59.01377	0.9
69.03458	2.3
69.29440	0.6
69.29855	2.1
71.01357	0.3
71.05029	2.1
73.02952	0.9
85.06605	0.9
87.04519	4.3
87.46812	0.3
92.30717	0.3
97.06606	1.7
98.20747	0.4
99.08184	1.2
99.76425	0.3
101.06060	0.7
108.37539	0.3
109.06631	0.8
111.08162	1.5
113.09734	1.8
123.08187	3.7
125.09737	2.2
127.11298	4.4
129.09239	0.4
135.08157	0.6
137.09732	3.2
139.11298	2.0
141.09216	1.5
141.12869	3.4
143.10788	4.9
149.09753	1.1
151.11304	0.7
153.09264	2.2
153.12862	2.0
155.10803	6.0
156.11107	0.4
157.12344	7.0
158.12636	0.4
167.10777	1.2
169.12407	2.5
171.13927	5.0
173.11887	1.0
181.12410	0.6
183.13843	0.7
184.11024	0.5
185.11842	0.8
185.15431	0.7
186.12543	0.4
187.13408	9.6
188.13765	0.6
199.13341	0.5
200.14214	1.1
201.14957	7.8
202.15269	0.4
213.14951	0.6
217.14503	1.1
229.14572	0.4
229.18120	0.6
230.15356	1.5
231.15996	1.4
249.22345	0.4
257.21411	1.8
263.34845	0.4
271.22812	1.2
277.21719	0.5
279.23334	0.4
295.22870	0.6
313.24133	0.7
315.25305	4.0
316.25989	0.4
325.27344	0.5
329.26999	0.4
335.66602	0.3
341.26883	0.7
343.28421	1.5
357.26523	0.3
359.28027	7.5
360.28308	0.9
361.29611	100.0
362.29959	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	361.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
69.43735	1.5
69.44155	5.6
69.50993	1.1
71.01399	1.1
78.95914	49.5
79.88688	1.0
94.69717	0.9
96.96973	100.0
101.02460	1.0
110.43996	1.0
129.34488	0.8
135.04533	4.5
136.04906	1.8
137.05008	1.2
206.47447	1.0
210.41719	1.1
233.11909	1.3
266.35825	1.0
353.26584	1.0
361.11346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97692	3.3
59.01387	53.2
67.01903	5.1
69.47027	18.7
69.47434	5.6
71.01399	34.2
73.02956	4.9
80.05056	7.5
83.47659	3.7
85.02964	15.8
87.00873	5.3
89.02468	15.1
93.03453	25.7
95.01448	4.4
101.02464	23.3
108.04611	5.6
109.02953	3.4
111.04523	8.8
113.02460	11.1
119.03529	9.4
122.06117	7.3
124.01681	22.1
132.04543	3.9
134.06105	4.5
135.04507	5.9
137.02425	6.6
138.05649	6.4
139.04001	30.7
146.02477	11.9
149.66154	4.0
155.10716	3.8
160.04018	11.6
161.04840	95.4
162.05396	5.6
173.04536	24.0
181.08693	8.7
182.06081	13.0
183.06996	5.5
186.05583	5.6
191.05630	43.4
192.05959	5.2
197.08510	4.8
200.07198	41.6
201.07904	14.6
202.08719	4.3
203.07042	5.8
207.05162	4.0
212.10812	24.9
221.08217	7.7
225.06688	4.4
229.13420	7.6
230.11859	100.0
231.12224	7.4
239.08269	11.3
240.06671	5.9
240.09009	35.0
241.07478	4.0
253.09766	10.0
255.11420	71.1
256.09616	8.6
256.11957	6.2
265.07202	7.2
273.12460	75.1
274.12872	6.6
281.09283	37.2
299.10342	35.8
315.08728	12.2
317.11404	92.7
318.11798	8.0
330.10980	11.0
333.09863	9.7
343.09509	5.2
361.10275	40.6
361.15033	44.2
361.18945	8.5
362.25488	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	360.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.1
59.01368	8.7
61.98835	100.0
71.56080	3.1
83.05019	2.9
97.06543	3.2
115.49869	2.2
138.59129	2.7
138.60260	2.6
145.06499	2.1
151.00334	4.6
185.15631	3.0
213.18465	3.2
217.00339	3.0
218.00716	3.1
229.18042	8.1
230.18338	3.5
359.20938	2.7
359.28171	5.0
360.21173	6.1
361.29272	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	361.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	78.2
69.03468	4.3
71.01393	34.5
72.99329	7.3
73.02961	6.5
75.00881	4.0
75.51097	4.2
78.48772	3.3
84.60014	3.8
85.02966	24.1
87.00896	11.4
89.01899	5.0
89.02442	28.9
93.03476	26.1
93.07100	3.6
95.01413	5.6
97.02951	4.1
97.06633	5.3
98.19872	8.7
101.02459	21.0
107.08704	8.6
109.02998	7.6
111.04557	6.1
113.02482	10.4
119.03517	10.5
119.08682	8.5
123.04566	5.5
129.02031	4.5
129.34593	3.7
134.03699	3.6
135.04561	8.9
137.02460	31.2
137.09674	8.9
138.01945	4.1
139.02393	5.6
139.04092	4.4
148.04068	9.7
149.06056	3.6
155.03471	6.9
159.04585	4.7
160.04013	4.4
160.05299	6.3
161.02519	4.6
161.04839	29.0
162.05217	3.4
173.04614	32.8
174.03369	4.3
174.04764	3.7
175.04016	8.0
176.04832	12.3
177.05627	4.1
178.05009	8.4
178.06372	18.7
181.08711	29.7
182.06219	4.0
188.04823	21.3
189.05417	4.0
191.05656	57.5
191.07190	9.0
192.05951	6.3
193.08771	8.3
199.09795	23.2
200.07217	15.5
203.07129	5.5
206.05893	6.0
212.05685	3.6
212.10768	7.6
219.04474	8.5
221.08215	68.9
222.08578	5.1
230.11853	24.0
240.09123	10.3
255.11340	19.3
265.07248	42.4
273.12354	18.7
281.09433	9.1
299.10434	13.6
317.11502	25.9
317.72696	3.7
325.09406	5.3
330.10901	4.6
361.07376	6.9
361.10718	8.4
361.15002	100.0
361.22134	5.0
362.15466	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	27.6
58.00594	0.5
58.03801	0.4
59.01380	3.1
67.22048	0.4
69.03471	2.7
69.54094	2.2
71.05024	0.8
73.02934	0.4
83.05034	0.8
84.97761	0.3
85.06586	2.8
87.04497	1.1
93.03472	0.5
93.07104	40.7
94.07436	1.4
95.05022	0.9
97.06584	1.2
99.08169	4.1
109.06615	0.5
111.08181	0.8
113.09737	1.3
120.37926	0.4
121.10386	0.4
123.08145	1.3
123.54908	0.4
125.09721	1.0
129.09216	0.6
137.09651	0.5
141.09196	0.6
143.10782	17.1
144.11098	0.7
155.10764	1.0
161.13356	1.7
173.04543	1.0
181.16017	0.9
195.13907	1.2
198.27969	0.4
211.17059	2.6
227.16576	0.5
229.18086	100.0
230.18425	7.2
232.93141	0.4
282.09781	0.4
299.25906	3.1
323.25946	0.5
329.27008	1.0
359.21085	0.8
359.28058	17.0
360.28296	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21640	0.3
57.03455	12.5
57.30658	0.3
58.66254	0.3
59.01382	1.4
59.53971	0.3
69.03471	1.9
71.01387	0.4
71.05022	1.4
71.55609	0.5
83.05027	0.7
85.06590	1.3
87.04552	0.7
93.07094	2.0
97.06596	0.9
99.08170	0.8
108.17860	0.3
109.06596	0.9
110.15451	0.3
111.08175	3.6
113.09766	1.6
115.07668	0.5
125.09738	1.5
127.11303	11.2
129.09206	0.7
137.09737	12.4
138.10095	0.7
141.12907	0.4
143.10762	1.3
149.09743	0.5
153.12851	6.1
155.10791	19.0
155.14395	0.6
156.11095	0.9
157.12355	5.1
167.10687	0.4
169.12340	1.3
171.13922	0.9
173.11842	0.6
183.13899	2.6
185.15483	1.0
186.12643	0.9
199.13353	0.5
201.14978	17.9
202.15332	1.0
215.16452	0.9
229.14581	2.8
229.18082	8.1
230.15247	7.4
230.17636	0.6
230.18256	0.4
231.15843	0.9
232.60275	0.4
235.20741	0.4
262.14200	0.9
287.22287	1.0
295.22739	0.4
313.23923	1.0
313.67023	0.4
315.21976	0.4
315.25421	0.6
341.26999	1.1
357.26477	1.4
359.28046	100.0
360.28384	11.2
363.71066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	16.2
59.01385	11.6
65.00316	1.4
69.03450	3.6
69.45578	8.0
71.05032	3.5
77.03973	1.2
79.01912	6.6
83.05013	2.6
85.06598	4.7
87.04544	1.3
93.07104	29.4
94.07421	1.4
95.05004	1.8
97.02961	3.5
97.06606	7.4
97.07159	1.1
99.08195	3.5
106.69902	1.1
109.06598	1.3
111.08186	3.3
113.09729	2.2
115.07669	1.7
121.02990	7.1
121.10220	6.8
123.04521	1.7
123.08134	2.3
125.09740	2.5
134.03749	10.7
135.04553	2.4
137.02386	1.3
139.04048	1.8
143.09799	1.6
143.10771	9.3
149.06105	4.7
150.03247	3.5
157.12314	2.8
163.89906	1.1
165.01939	16.0
171.10275	1.8
173.04591	2.4
178.02737	1.4
179.03429	1.9
181.16008	6.8
183.02983	2.6
197.11719	1.3
201.14966	6.8
207.17267	1.6
209.15503	4.0
210.01682	2.9
211.17058	2.0
217.00331	3.4
229.18097	100.0
230.18498	7.2
243.19662	7.5
269.17633	1.4
287.18558	2.9
299.25876	5.3
315.08710	17.5
316.08914	1.6
329.26913	1.5
341.19733	1.3
341.26953	1.1
359.07739	16.9
359.11615	2.1
359.21124	5.5
359.24774	1.7
359.28064	30.1
360.08044	2.9
360.28430	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.2
59.01385	5.2
66.24403	0.3
69.03477	2.1
69.26015	4.2
71.05020	1.2
72.99303	0.5
73.02981	0.5
77.03951	0.4
83.05055	1.0
87.04528	0.7
88.05142	0.4
91.48329	0.4
93.07104	32.8
94.07443	1.6
95.05030	0.8
97.06596	1.7
99.08157	1.0
108.58313	0.4
111.08183	0.5
113.09738	1.3
123.08173	0.8
125.09692	0.7
129.09251	1.6
143.10774	2.5
155.14435	0.6
167.14415	0.6
173.04630	0.4
179.03590	0.5
181.16000	1.3
183.13890	0.9
185.15477	2.4
197.15504	3.1
199.17050	6.3
200.17360	0.7
209.15474	2.9
211.17067	1.5
217.00226	0.5
227.16576	0.7
229.18092	100.0
230.18449	7.7
299.25867	1.7
323.25699	0.5
329.27109	1.3
337.14667	0.5
359.11502	0.5
359.21075	0.7
359.28058	11.7
360.28427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.0
70.11182	2.7
70.11545	1.4
72.02646	0.7
112.18270	0.9
113.56232	0.8
121.03015	0.8
193.89224	0.9
193.95235	0.7
195.62277	0.8
277.21744	100.0
278.22119	11.2
359.22040	18.6
359.26294	1.7
360.22391	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	359.2444
Annotation	oscr#22
Peak:m/z	Relative Intensity
55.39224	0.9
59.01384	7.5
71.56091	0.8
72.99320	12.3
75.00880	46.1
95.01270	1.2
97.06547	1.0
124.52721	0.9
152.91730	0.9
174.99300	1.5
179.71524	0.8
179.98967	0.9
194.92802	2.6
201.02609	1.2
210.47289	0.7
217.00322	6.7
223.20740	5.8
267.19781	5.9
267.22409	1.1
276.93094	1.5
283.22781	16.9
284.23141	1.3
285.20782	8.3
297.24387	7.7
298.24545	1.0
313.23840	4.2
359.24414	100.0
359.28244	3.9
360.24847	12.4
360.29129	1.6
370.25696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11939	1.2
59.01389	9.2
61.09763	1.1
73.47070	1.1
75.00877	1.9
77.17824	1.1
143.74374	1.1
201.02551	1.5
217.00276	3.9
223.20683	83.7
224.21060	5.6
228.94408	1.4
241.21812	1.9
267.19669	61.3
268.19983	6.9
285.20728	100.0
286.21042	10.7
306.23322	1.3
313.23868	1.3
359.24420	46.3
359.28860	4.5
360.24847	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51104	1.0
54.44970	0.9
58.13523	0.9
59.01382	100.0
69.31599	0.8
70.05672	0.8
70.12764	2.9
71.01392	6.4
73.02942	2.0
74.81291	0.9
81.03464	1.3
83.01373	1.3
85.02950	3.3
87.00894	1.4
88.87858	1.0
89.02481	1.1
93.03467	2.7
95.01342	1.0
101.02463	3.1
111.04615	1.2
113.02420	2.9
119.05026	2.4
123.00880	6.4
131.85820	1.0
137.06091	57.8
138.03252	9.0
138.06433	1.1
144.61246	0.9
153.05562	3.8
159.03014	0.9
161.04567	10.3
163.04005	1.1
166.99832	1.9
173.04501	1.4
174.45107	1.0
182.02248	7.2
186.12320	1.2
191.05640	5.7
197.04553	21.0
198.04929	1.2
299.11166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01383	4.8
59.58475	0.7
71.01363	1.8
71.01703	1.3
72.99313	80.2
73.86838	0.6
85.02962	0.7
89.02451	1.9
93.03433	1.9
97.33367	0.7
107.05061	1.0
109.02956	1.9
113.02499	0.7
114.19962	0.7
123.04536	25.7
124.04837	1.2
134.03755	2.2
135.04536	55.1
136.04852	2.1
138.03200	1.4
151.04002	2.1
151.33701	0.6
164.05005	0.7
173.04614	1.0
179.03508	47.6
179.92574	0.7
180.03883	3.2
191.05626	4.2
197.04561	100.0
198.04936	5.8
274.59402	0.8
278.90570	0.8
292.40988	0.8
297.09964	1.4
359.09857	81.1
360.10138	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43682	0.3
51.94211	0.3
59.01364	0.3
68.42332	0.2
69.66984	0.6
69.67411	1.2
72.99310	0.4
73.43614	0.3
107.05039	0.4
108.89613	0.3
109.02958	2.2
134.03754	1.1
134.04735	1.2
135.04536	100.0
136.04871	4.1
179.03658	0.3
191.05673	0.3
197.04614	0.4
271.08255	0.6
297.09821	16.4
298.10202	1.1
298.13406	0.3
299.41159	0.3
359.09830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41277	0.5
52.39950	0.5
59.01384	87.7
60.01719	0.7
61.98834	0.9
62.99603	0.5
70.83157	1.5
72.99303	1.0
90.97141	0.7
118.96600	0.5
132.98218	1.9
157.03590	3.1
159.01544	1.1
174.97736	0.9
174.99275	21.7
201.02573	23.8
202.02692	2.8
217.00317	100.0
218.00690	3.6
261.41055	0.6
274.99524	1.9
315.02728	0.5
317.00613	3.7
318.00604	1.2
359.01657	9.8
360.01572	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80019	0.7
59.01391	3.8
69.72417	1.2
69.72831	2.9
71.01380	1.0
74.97741	0.9
75.24928	0.8
83.38885	0.8
85.02979	1.6
88.61528	0.8
93.03465	10.1
111.04571	1.8
120.04573	3.3
122.06126	2.5
125.34690	0.9
131.06160	2.3
133.01721	0.9
133.02966	2.1
134.03777	1.7
135.04529	2.5
136.01663	1.2
137.02441	1.9
147.03276	43.1
148.04073	10.0
149.02501	1.5
149.06134	1.9
151.03979	1.5
155.03481	1.6
159.05705	0.9
169.05318	1.9
172.07661	1.1
173.04565	21.9
173.06050	1.4
184.07628	2.1
185.11816	1.6
187.08781	8.2
191.02249	3.2
191.05624	10.9
199.05070	1.9
200.05693	1.8
200.07147	2.9
211.07652	0.8
212.07317	7.3
213.03050	1.8
213.06873	1.9
214.07535	1.5
215.08168	3.2
215.11749	0.7
226.07552	1.7
227.04668	25.7
227.08186	2.2
228.05263	3.2
239.07098	0.9
240.07744	0.8
241.06169	1.3
241.09752	3.0
242.07068	4.5
242.09268	1.4
243.07759	53.9
243.11316	4.7
244.08026	4.1
250.06662	2.9
251.08337	1.0
254.06990	1.3
255.07787	15.8
256.08102	1.8
257.08331	1.9
258.09027	2.2
260.43509	0.8
261.07559	1.1
269.09183	3.5
270.05731	0.8
270.08926	3.7
271.10895	11.3
272.11243	1.3
283.10504	1.2
284.06924	2.2
285.08261	0.8
285.11273	3.8
286.08505	2.8
287.06760	4.0
287.09900	1.1
297.08853	7.9
299.06485	1.0
299.09283	8.7
301.10901	2.1
314.07971	8.4
315.09903	11.3
316.10449	1.2
329.10318	18.8
330.10648	1.7
344.12692	24.3
345.13040	2.4
359.08856	100.0
359.14987	31.9
359.20703	6.3
360.09213	9.5
360.15231	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	357.2651
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
51.25433	0.3
59.01374	1.2
65.69688	0.3
69.31419	0.3
95.62930	0.4
98.74979	0.4
110.17746	0.4
121.02968	0.8
164.11569	0.6
180.11130	0.7
192.95845	0.7
200.64232	0.4
265.25348	0.9
267.26886	1.2
277.25412	3.9
293.24905	1.4
295.26437	22.2
296.26770	2.5
297.24332	1.4
311.25940	33.3
312.26227	4.3
321.24344	0.5
339.25421	3.1
357.26477	100.0
358.26810	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	357.3012
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
56.52262	1.2
62.21456	0.9
63.10643	1.0
69.71518	1.1
72.99315	37.7
75.00878	10.7
85.71415	1.1
98.19950	3.2
141.43216	1.3
150.67912	1.1
153.75598	1.0
228.96169	1.1
281.28580	2.2
311.29596	1.5
326.36810	1.2
357.30112	100.0
358.30487	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	357.2285
Annotation	oscr#21
Peak:m/z	Relative Intensity
52.05708	0.8
53.25961	0.8
55.86805	0.7
57.03445	0.9
59.01379	2.0
60.04622	0.7
70.48454	0.7
70.96183	2.0
71.04993	1.4
75.00867	1.0
83.05017	0.8
98.00098	2.9
111.08133	1.9
121.02972	3.6
147.02725	0.8
148.02621	0.6
192.95869	1.8
249.22276	1.8
251.23811	54.2
252.24213	5.2
267.23291	7.5
269.24802	1.2
277.21646	1.2
295.22794	50.8
296.23169	5.5
297.20923	1.5
311.22214	1.2
313.23859	12.6
314.24194	0.9
331.01251	0.9
339.21774	76.4
340.22092	6.8
357.22842	100.0
357.26434	4.9
358.23196	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	357.2285
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03453	2.0
59.01383	4.3
66.71178	1.0
70.37986	1.1
71.01404	1.2
71.54016	1.8
72.99320	2.8
75.00873	3.5
77.39877	1.1
83.01429	1.5
121.02943	4.9
148.41232	1.1
223.20685	3.3
225.22575	1.3
251.23795	30.7
252.24052	3.5
253.21707	5.1
255.19725	1.6
267.23312	1.7
295.22818	33.9
296.23096	4.3
313.23886	21.1
314.24207	1.5
339.21814	11.8
357.22842	100.0
357.26431	5.5
358.23123	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	357.2286
Annotation	oscr#21
Peak:m/z	Relative Intensity
54.40951	0.5
59.01390	2.3
62.33255	0.5
68.47697	0.4
71.01365	0.6
83.01387	2.1
87.00871	0.9
97.06609	1.0
114.67131	0.4
121.03003	2.4
125.09698	0.7
127.11275	1.7
130.70288	0.5
139.11369	0.8
141.09241	0.9
141.12854	0.8
155.10797	5.2
157.12347	0.7
171.10281	9.2
255.19739	1.9
267.23221	0.5
269.21274	0.6
277.21747	2.5
295.22778	18.5
296.23062	1.4
297.20758	1.1
311.22354	1.6
313.23865	100.0
314.24161	10.4
321.20560	0.9
339.21793	2.5
357.22839	53.4
357.26434	1.9
358.23135	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	357.2286
Annotation	oscr#21
Peak:m/z	Relative Intensity
58.03881	1.1
59.01369	4.3
69.93222	6.2
71.05043	1.6
72.99315	79.3
76.88605	1.3
82.93468	1.1
92.93125	1.3
98.20606	2.5
121.02961	5.4
148.18950	1.3
167.09492	1.2
192.95903	2.8
221.19115	1.7
223.20680	1.6
235.20676	2.1
251.23895	3.4
253.21744	5.5
269.20966	2.2
277.21729	4.1
283.22833	6.7
291.46857	1.3
295.22800	85.1
296.23111	11.5
297.20709	3.7
315.21686	2.7
339.21765	100.0
340.22070	11.2
357.05966	1.8
357.22855	35.1
357.26666	2.1
357.30219	3.9
358.22931	2.9
371.57727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60939	0.6
59.01386	6.8
63.34213	0.7
69.43577	4.4
71.05063	1.0
71.84062	0.5
72.99319	0.7
75.00882	100.0
76.01214	0.7
89.53429	0.5
98.19907	1.3
121.02971	1.8
140.77342	0.6
197.19101	0.7
230.18732	0.9
237.22252	28.5
238.22670	2.2
270.00443	0.7
277.25443	1.4
281.21265	14.2
282.21695	1.3
295.26431	6.1
297.24387	14.9
298.24695	1.1
299.22299	52.7
300.22690	5.1
318.99188	0.7
321.23730	0.8
339.25439	3.6
357.22812	25.2
357.26526	21.1
357.30264	3.2
358.23199	2.7
358.26871	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	357.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90225	0.5
56.75969	0.5
57.03448	0.6
59.01386	3.4
60.17884	0.5
67.01897	3.9
69.03458	0.9
69.26559	5.0
69.26955	0.8
71.01382	3.8
81.03457	0.8
83.05009	0.6
85.02958	0.8
87.00917	0.9
93.03466	28.8
94.03786	0.9
94.78214	0.6
109.02959	2.2
111.00908	1.2
111.04532	4.7
118.68832	0.5
119.05071	0.6
121.10252	0.6
134.55150	0.6
135.04539	0.6
136.01663	0.8
137.02437	4.5
139.99443	0.6
147.93724	0.5
149.02377	0.7
155.03493	4.3
173.04558	100.0
174.04913	3.4
183.10269	9.4
191.05557	1.0
202.89812	0.6
251.07156	1.0
314.21124	0.6
327.12354	2.3
327.15869	0.7
357.09833	2.6
357.15491	7.5
358.15820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1923
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
50.57956	1.2
57.03441	2.9
59.01386	100.0
69.59262	1.1
71.01389	8.0
73.02953	2.0
80.79114	1.1
83.05012	1.2
85.02956	3.3
87.30940	1.1
95.26617	1.2
99.04484	1.4
101.02454	2.8
113.02460	2.6
125.09698	2.0
161.04591	2.8
171.10281	1.8
187.09718	1.6
277.18280	1.2
295.18753	1.2
313.20251	4.8
339.18225	3.2
357.19220	10.3
357.22885	3.2
357.26703	2.6
376.42056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77194	0.2
59.01371	0.5
64.94868	0.2
69.03457	0.3
69.37012	1.0
69.37438	0.8
71.01389	0.4
84.02196	0.4
85.02949	0.4
86.80423	0.2
93.03472	1.6
95.01438	0.3
97.02981	0.2
108.02178	1.9
109.03055	0.5
121.02964	9.1
122.03786	3.5
123.00900	0.7
124.01671	0.7
134.03758	1.0
135.04564	0.4
136.01672	81.0
137.02286	2.8
145.02875	0.2
148.90123	0.3
149.06068	0.2
151.04019	100.0
152.04358	4.2
153.01898	0.2
158.03664	0.2
159.04515	0.7
160.05292	1.0
161.02457	0.5
161.05913	0.3
162.03246	1.6
163.04030	1.3
173.04553	1.0
173.05873	0.2
175.03970	0.4
175.07640	1.7
176.04851	0.5
177.05577	0.9
179.03462	0.7
187.04057	0.6
188.04832	0.5
189.05568	0.6
190.06306	0.3
203.07164	0.4
206.05959	0.3
241.04968	0.3
256.07480	0.3
305.68469	0.2
311.12924	1.2
342.11078	5.1
343.11362	0.5
347.97171	0.3
357.13434	21.2
358.13733	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1557
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.60081	0.5
55.01882	0.8
56.59581	0.4
57.03453	5.3
57.22107	0.5
58.00594	0.8
59.01385	26.8
65.37526	0.4
69.03466	9.8
69.47786	3.1
71.01389	21.0
71.05019	3.0
72.99310	1.2
73.02963	2.7
73.97750	0.5
80.02394	0.5
81.03486	0.5
83.01400	1.7
83.05025	2.2
85.02963	6.2
87.00879	1.0
89.02451	15.7
93.03466	6.1
95.01395	1.6
98.19865	0.6
99.00890	1.2
101.02442	12.1
103.79956	0.5
111.04547	4.2
111.08172	3.1
113.02460	8.3
113.06113	1.7
119.03505	6.3
123.08176	1.3
131.03526	1.1
139.11311	17.1
143.03563	1.0
150.06894	1.6
155.03514	4.1
159.02971	1.1
161.04568	6.0
173.04567	15.5
174.04947	0.7
177.09244	3.9
177.26886	0.5
179.05629	1.3
183.10274	100.0
184.10608	5.3
191.05647	0.8
194.05811	1.6
195.10254	1.3
290.11707	0.5
347.86322	0.5
357.11823	0.6
357.15573	15.0
357.19977	0.8
358.15900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01384	21.2
60.38581	0.7
68.27057	0.7
69.26832	1.5
69.27241	5.0
71.01403	4.7
73.02970	1.1
80.41167	0.9
85.02959	2.4
89.02454	2.8
93.03486	1.4
96.34163	0.8
101.02437	2.1
108.02183	1.9
109.02941	0.8
111.04578	1.3
113.02470	2.0
119.05027	2.3
121.02938	2.2
123.04530	4.3
124.01694	0.8
125.06112	0.9
134.03767	1.0
135.04535	12.3
136.05316	12.2
137.02388	0.9
139.07681	5.6
151.04051	4.1
151.07640	3.5
152.07156	3.1
155.03523	0.8
161.02496	0.9
162.03233	8.0
165.01877	1.0
167.01724	0.7
173.04599	3.2
177.05574	10.6
180.04224	0.9
183.06636	1.7
183.10291	7.0
187.07814	0.7
191.05647	4.7
194.05894	1.6
195.06635	100.0
196.06966	5.1
198.51407	0.7
221.02293	0.7
244.98955	1.0
304.87582	0.7
357.11908	2.5
357.15787	1.3
360.19000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.02091	0.9
57.03446	1.2
59.01387	28.4
61.98827	1.1
69.73388	1.0
70.66417	1.6
70.66759	2.1
71.01388	12.0
72.97530	3.2
73.02965	3.9
83.01415	1.0
83.71548	0.9
85.02940	5.5
85.14835	1.0
87.00884	2.3
87.29784	1.3
89.02457	15.0
93.03467	2.6
95.01376	1.1
99.86016	1.2
101.02449	6.4
103.04021	3.6
108.02184	6.2
109.02972	4.5
111.04556	1.5
113.02468	4.3
119.03519	4.1
119.05042	2.4
121.02961	2.9
123.04514	8.1
126.66875	1.0
134.03781	1.8
135.04581	8.2
136.05324	9.0
137.89444	1.0
139.07695	5.1
143.03398	1.1
151.03990	6.2
151.07671	2.3
153.05579	2.2
155.03510	1.1
157.34013	1.0
161.02480	1.3
161.04620	1.8
161.06052	1.1
162.01974	1.6
162.03250	22.7
163.03900	1.7
165.01904	1.3
173.04578	3.3
176.08629	0.9
177.05585	36.1
178.05887	3.0
179.03506	5.3
180.04311	2.3
181.05095	1.2
183.10243	1.9
191.05623	10.3
194.05870	2.4
195.06641	100.0
196.06992	4.8
198.76027	1.1
253.07198	2.7
254.22815	1.2
267.08554	1.6
336.02655	2.2
351.05246	3.6
357.11908	3.0
357.21454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1039
Annotation	Cellobionate
Peak:m/z	Relative Intensity
57.03452	1.9
58.00573	1.4
59.01383	34.3
61.81440	1.3
70.66581	3.2
71.01388	28.5
71.05024	2.0
72.99316	4.4
73.02957	8.0
75.00880	25.9
78.95952	1.5
83.01407	3.1
85.02965	14.1
87.00880	39.2
89.02453	21.9
95.01424	2.1
96.08859	1.2
96.96974	2.4
97.02959	3.1
99.00904	2.8
101.02451	21.1
105.01945	38.9
108.29303	1.4
111.00876	14.3
113.02457	12.0
117.01984	2.0
119.03516	8.8
129.01967	5.0
131.03532	3.2
141.01984	1.6
147.02965	2.0
159.03032	3.8
161.04572	3.0
177.04088	3.6
179.05641	4.2
221.06735	5.6
237.06242	1.6
254.03891	1.2
267.07516	1.6
291.07227	8.6
309.08441	5.6
339.09286	13.1
340.09692	1.9
357.10461	100.0
358.10803	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	357.1192
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.07696	0.3
51.23004	0.3
55.17333	0.3
56.04860	0.3
59.01383	0.7
66.12428	0.3
66.30042	0.3
67.01907	0.5
70.22832	1.1
71.01382	2.0
73.02943	0.9
78.02500	0.3
83.01426	0.3
85.02940	0.8
87.00412	0.5
87.00888	5.6
89.02451	0.4
93.03417	0.4
95.01414	0.4
101.02443	1.5
108.02168	0.5
109.02931	1.0
113.02447	0.9
121.96651	0.3
123.00883	0.8
135.04507	0.4
136.01668	6.3
137.02446	3.6
149.02406	0.5
151.00378	0.5
151.04034	5.3
153.01923	0.3
164.01166	11.7
165.01935	42.8
166.02220	2.0
178.02737	1.4
179.03508	93.2
180.04282	39.6
181.04636	1.2
192.05945	0.4
193.05042	1.2
194.03973	0.5
194.05852	31.2
195.06628	100.0
196.06976	6.3
198.49010	0.3
209.08180	0.5
222.05467	0.5
237.07687	1.7
295.52850	0.4
357.11832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0982
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.24073	1.2
57.90495	1.2
69.32388	11.1
85.16560	1.4
91.01917	3.3
93.03473	8.2
96.99315	5.7
109.02931	1.6
110.39644	1.1
117.03490	2.1
119.05036	15.9
123.04549	8.5
131.05034	3.0
133.02931	2.7
134.03766	18.6
143.05038	11.4
145.02922	3.5
146.03745	3.9
148.05305	1.3
149.06067	2.2
158.03726	3.1
159.04543	8.1
161.06113	5.9
163.04025	8.8
173.04533	5.7
173.06087	2.8
175.04088	1.4
178.02641	1.5
182.65997	1.4
183.10255	1.3
193.05049	4.3
205.29964	1.4
213.53804	1.3
214.59035	1.4
226.06422	4.4
241.08734	3.2
250.06476	2.0
251.07156	19.4
252.07846	9.4
253.08702	6.2
254.09433	4.2
265.08936	1.6
279.06570	7.7
280.07416	13.8
281.07803	1.9
295.09808	11.5
296.10294	1.5
324.06265	2.4
335.84338	1.6
339.08792	5.6
357.09824	100.0
358.10172	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	355.322
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
57.03449	3.8
59.01405	0.8
66.34120	0.8
69.03474	1.9
70.96938	1.5
70.99940	0.8
71.01389	2.1
77.39284	0.8
78.93632	0.7
85.06597	14.8
87.04530	1.7
99.92590	12.0
115.92094	6.1
116.92870	17.9
117.92866	1.1
142.67760	0.7
199.00720	4.8
220.78419	0.9
230.25117	0.8
267.26941	7.8
274.60309	0.8
295.30081	20.2
295.33063	0.7
296.30490	1.9
337.31119	3.5
355.15750	11.5
355.19604	12.9
355.32193	100.0
356.16049	1.7
356.20007	2.7
356.32535	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	357.0618
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.11124	0.2
57.32709	0.2
59.01373	0.6
69.36620	1.9
77.04004	0.4
89.22594	0.2
90.76501	0.3
92.61825	0.3
93.03474	0.6
106.81654	0.3
112.55676	0.2
121.02967	100.0
122.02512	0.5
122.03293	3.3
125.09718	0.3
142.80112	0.3
165.01938	1.5
180.05829	1.7
181.06607	5.8
181.08194	0.4
182.06819	0.5
225.05594	6.2
226.05818	0.5
234.96844	0.2
269.08167	0.3
271.07315	0.5
285.20667	0.4
295.19092	0.4
313.07193	7.6
314.07336	0.9
357.06186	32.1
357.19107	1.1
357.26611	0.6
358.06470	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	355.2494
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
59.01377	5.0
64.31313	1.8
69.31029	14.0
71.05032	2.2
71.50467	1.8
81.35454	1.6
90.81310	1.7
99.00900	1.6
102.10681	1.7
133.64780	1.9
211.68076	1.7
222.33080	1.9
237.22180	2.9
293.24725	9.4
297.24469	2.0
309.24356	2.2
311.25922	100.0
312.26190	10.0
319.22812	12.2
337.23798	16.9
355.24854	62.8
355.28647	14.5
356.25156	7.9
356.28995	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	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
57.03456	0.6
59.01376	0.8
61.98841	0.7
63.13272	0.5
69.41299	2.5
69.41709	1.1
71.05015	0.6
72.99316	0.6
79.19358	0.5
92.22226	0.5
115.04047	2.3
179.31163	0.5
210.98282	0.5
265.25436	0.8
267.27011	0.8
269.36148	0.5
291.26956	1.1
293.28528	65.7
294.28894	7.4
311.25964	2.2
311.29556	1.5
337.23502	1.0
337.27505	18.7
338.27628	2.2
340.17416	0.5
355.28558	100.0
356.28928	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	355.2855
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
52.22703	0.7
59.01389	4.4
60.06752	0.7
64.35452	0.7
69.93395	2.1
69.93796	1.4
104.58604	0.8
110.19906	0.9
133.39241	0.8
139.86420	0.7
162.16811	0.7
173.48380	0.8
199.00706	2.9
293.28516	2.5
295.26486	0.8
295.29947	1.0
311.29584	67.1
312.29984	6.8
312.86725	0.8
331.09412	0.8
355.19513	6.1
355.28525	100.0
355.32242	9.7
356.28882	11.5
356.32709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3219
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.22845	0.5
55.37896	0.5
57.59896	0.4
78.34941	0.5
105.12173	0.5
216.51595	0.5
281.02667	0.5
281.28439	0.9
304.62399	0.5
305.28412	0.7
307.30005	3.4
309.31628	51.4
310.31958	6.4
337.31207	0.9
342.88766	0.5
355.32181	100.0
356.32504	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70132	0.5
56.25598	0.6
59.01447	3.2
60.03858	0.5
82.01489	0.6
95.22800	0.5
99.00961	1.2
110.03788	1.4
110.44813	0.5
136.05371	1.1
142.02853	1.2
153.55597	0.6
235.76300	0.6
237.22252	3.0
239.53879	0.6
267.23282	0.8
273.51358	0.8
275.23892	3.6
283.22766	1.3
293.24893	38.3
294.25168	4.2
295.22794	1.2
309.24438	1.7
311.26013	1.2
313.23886	7.5
319.22794	48.8
320.23074	5.3
337.23859	100.0
338.24164	11.1
355.24887	25.3
356.25214	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93259	2.2
54.80811	2.7
57.03461	2.9
59.01374	9.1
69.31050	22.9
70.47332	2.3
71.01390	4.5
71.05043	2.5
73.25571	2.2
75.00875	6.9
85.02927	4.1
87.00852	2.4
97.06606	2.6
118.60861	2.4
125.09734	8.0
127.11328	3.9
147.79004	2.3
191.75066	2.2
227.80850	2.6
249.22224	4.7
267.23203	3.8
275.23700	4.4
291.23288	3.3
293.24884	40.0
294.25293	6.1
297.15341	4.4
309.24261	5.4
311.26028	12.8
313.23773	5.0
319.22784	51.6
320.23059	6.3
337.23834	100.0
338.24335	11.6
355.19989	4.8
355.24854	98.3
355.28644	30.0
356.25009	13.8
356.28870	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	355.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
59.64006	1.4
60.79269	1.0
70.67095	1.4
70.67422	2.2
74.97618	1.0
99.00878	3.2
105.23534	1.2
121.02935	3.2
127.61445	0.9
199.00797	1.8
227.13274	1.1
237.22186	5.5
265.25555	1.2
267.19995	1.1
267.23267	2.6
275.23856	2.6
277.21570	1.3
283.22821	1.2
293.24872	23.6
294.25171	3.3
295.22797	22.5
296.23239	2.5
297.20541	1.4
309.24393	2.4
311.25900	13.1
319.22760	25.1
320.23184	3.4
337.23843	27.3
337.27905	1.3
338.24228	3.8
355.24893	100.0
356.25204	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	355.2494
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03444	2.7
59.01382	2.3
71.01405	1.2
71.05013	2.4
71.56274	2.7
72.99310	3.2
144.01219	1.1
151.39734	1.1
237.22223	2.6
251.18697	1.2
265.25317	2.7
275.23819	3.3
293.24841	12.4
294.25348	1.8
297.15372	1.8
297.24371	3.7
309.24274	3.7
311.25931	100.0
312.26288	9.6
319.22766	4.7
337.23849	20.7
355.20135	5.3
355.24832	69.1
355.28671	9.2
356.25217	8.1
371.18234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.4
61.98836	10.9
69.81136	5.3
71.01382	3.4
112.24464	1.0
113.02505	0.9
192.86472	1.1
223.20676	1.9
259.20630	1.2
265.21976	1.1
267.23245	5.1
269.35422	1.1
273.23404	1.9
275.23828	1.0
277.21756	3.6
283.22952	4.5
291.13239	1.1
293.24896	34.4
294.25070	4.5
295.22800	73.6
296.23138	7.7
311.25800	3.0
319.22696	9.0
320.23181	1.2
337.23874	15.2
338.24182	1.2
355.24899	100.0
356.20950	1.9
356.25143	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	355.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19378	2.5
52.19484	2.3
57.03449	4.8
59.01389	8.0
66.73550	2.5
68.19899	2.7
69.03494	2.4
71.01389	3.2
83.05056	7.9
97.06616	12.1
98.10636	2.3
99.00918	5.1
108.22509	3.0
111.08175	3.4
113.32185	2.4
123.08199	11.2
125.09743	73.4
125.10629	4.5
127.07659	3.9
155.10805	64.4
159.10309	3.4
169.12358	5.4
171.10262	5.3
173.11853	35.8
183.01277	8.7
183.10313	2.8
187.09755	3.4
227.13004	8.7
240.01453	2.8
249.22374	6.5
267.23239	15.9
283.22925	4.1
293.21280	33.9
294.21689	3.3
311.22382	45.0
311.25821	4.0
312.22815	4.4
337.20441	8.7
337.24014	5.8
355.16483	4.9
355.21353	100.0
355.25211	24.4
356.21747	15.2
356.25543	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.91726	1.0
59.01395	2.2
62.93498	0.9
62.97216	1.1
69.88497	5.1
72.99319	1.0
77.63745	1.2
85.02936	3.2
87.00895	1.4
101.06039	1.1
109.02946	2.5
111.00909	1.1
122.03749	10.1
127.07631	2.1
135.04543	27.5
135.15712	1.0
136.01665	2.5
141.11951	1.0
147.08209	2.1
149.06076	2.0
149.09735	8.6
151.07649	2.4
154.02718	2.4
161.09776	7.6
162.10135	1.0
163.07620	4.5
163.11293	58.0
164.08429	17.2
164.11575	3.8
165.09261	8.8
177.09218	76.1
178.09996	21.0
179.10789	85.6
180.11140	4.6
183.10324	2.6
187.11229	1.5
191.10786	12.7
193.08710	9.6
205.50188	1.4
257.14667	1.1
280.14630	3.8
293.28604	1.6
295.26477	1.2
298.15750	56.4
299.16150	6.1
307.17068	1.8
309.22394	1.7
327.12436	1.1
337.21738	50.5
337.27664	1.8
338.22073	8.6
340.16251	2.1
340.20438	83.7
341.20782	11.2
355.22806	100.0
355.28406	9.5
356.23181	16.8
363.65060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2335
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
59.01370	1.7
69.33037	10.4
71.05030	1.9
71.17134	1.1
74.12914	0.9
93.03470	1.1
118.36317	1.1
123.98692	1.3
126.01817	1.3
128.64195	1.0
135.04491	4.0
173.37241	1.1
179.03519	2.5
191.05627	10.5
207.58952	1.0
237.22125	2.1
265.25485	3.9
291.23276	4.0
309.24377	77.2
309.27771	4.5
310.24683	7.5
335.22372	1.9
335.26001	2.6
353.14056	4.0
353.23291	100.0
353.26950	6.8
354.23666	13.0
354.27679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12859	2.8
56.72637	2.7
57.03445	12.8
59.01377	8.0
69.03470	4.0
71.05040	5.8
71.56775	3.2
83.05033	5.1
85.02991	6.8
88.95483	2.9
95.05033	7.4
97.06588	36.8
111.08174	10.2
120.75771	3.4
123.08183	11.8
125.09735	69.1
141.09283	3.1
147.13295	3.3
151.07651	13.2
159.10275	44.5
167.07083	3.7
169.08714	75.5
170.09114	5.7
187.09808	19.0
197.11803	13.9
205.09395	3.0
249.18454	3.6
293.21075	4.9
311.18646	21.8
311.22180	9.4
337.16574	7.1
345.84634	3.0
355.17545	100.0
355.21356	31.7
355.24979	7.9
356.17850	13.3
371.80914	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	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07859	0.5
57.03452	1.0
59.01385	18.5
60.99305	1.6
67.01893	3.1
68.21709	0.6
69.03452	1.5
71.01389	11.0
71.55141	0.9
73.02940	1.9
78.39577	0.5
78.95910	15.5
81.03464	1.2
83.05029	1.1
85.02967	3.3
87.00887	4.4
89.02456	7.8
93.03468	32.7
94.03799	1.0
95.01365	0.8
96.96029	0.9
96.96968	15.4
99.00903	0.6
99.04519	2.2
101.02452	6.0
107.35558	0.5
109.02962	0.9
110.73171	0.7
111.00905	1.2
111.04541	6.8
113.02451	4.1
119.03500	3.7
137.02438	2.5
143.03473	1.4
155.03508	2.5
166.09961	0.5
173.04556	33.8
174.04924	1.1
179.05533	0.6
179.83800	0.6
191.05634	8.8
198.90288	3.5
198.92004	1.4
216.92812	1.7
302.18378	0.6
316.82803	2.8
353.10901	100.0
354.11255	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	353.2336
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
57.03439	0.9
59.01374	0.6
60.86956	0.3
69.03446	0.9
69.18698	0.4
69.19097	2.8
70.87238	0.3
71.05045	0.4
77.76415	0.3
82.53819	0.4
83.05024	0.3
85.02989	0.4
135.04538	0.5
138.41083	0.3
179.03497	0.7
191.05635	3.2
231.95763	0.3
235.20750	0.7
237.22336	2.2
249.22343	0.6
263.23758	0.8
265.25348	3.8
271.22830	0.8
281.24850	0.5
291.23297	3.4
309.24356	100.0
310.24704	10.0
317.21249	0.7
335.22235	4.9
336.22549	0.7
353.23334	85.9
354.23697	9.7
354.27499	0.3
358.10553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03439	1.2
59.01387	1.6
62.82549	0.5
67.01901	4.4
69.03461	0.8
69.44244	4.5
71.01390	4.5
81.03471	1.6
83.05043	1.1
85.02953	9.9
87.00896	2.5
93.03462	26.7
99.04528	0.8
107.05034	1.8
109.02987	1.8
110.74465	0.7
111.00877	0.8
111.04523	6.0
112.04910	0.5
127.04043	2.9
132.72246	0.6
133.02950	1.5
134.03735	4.0
135.04536	76.3
136.04837	3.1
137.02467	6.6
155.03493	5.6
161.02444	3.9
173.04559	100.0
174.04866	3.1
179.03508	66.3
180.03848	2.8
191.05621	54.6
192.05946	2.1
233.71877	0.6
353.08780	11.4
354.08951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.47639	0.8
57.03434	1.1
59.01381	3.8
60.99307	1.2
62.44992	0.8
67.01914	5.5
69.03448	1.3
69.74300	4.5
71.01375	2.3
81.03475	0.8
85.02951	9.6
87.00893	6.1
91.05552	1.0
93.02872	1.9
93.03465	34.1
94.03796	1.2
99.04529	0.9
101.02493	0.9
109.02936	1.4
111.04505	6.0
127.04024	2.0
129.01929	0.8
133.02951	1.7
135.04536	14.9
155.03487	1.3
161.02403	3.1
171.03009	0.9
173.04559	31.9
174.04839	0.9
179.03467	5.9
191.05623	100.0
192.05934	4.2
227.76512	0.9
309.09738	2.9
339.05170	0.9
343.20859	0.7
353.08853	8.4
354.08981	1.4
367.50787	0.9
371.18512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
66.03236	0.3
67.52360	0.3
68.32903	0.3
69.03454	0.5
71.01361	0.4
81.03470	0.4
83.05030	1.0
85.02957	8.2
87.00895	1.6
91.05574	0.4
93.03468	2.9
95.88051	0.3
97.39080	0.3
98.19899	1.2
99.04482	0.5
102.50533	0.3
106.04228	0.4
106.82124	0.4
107.05057	1.5
109.02994	0.6
111.04559	1.7
114.80879	0.4
117.03493	0.5
127.04050	1.8
133.02986	0.9
134.03758	6.7
135.04541	62.8
136.04855	2.6
137.02403	0.5
153.36600	0.3
155.03539	1.6
161.02461	4.0
164.77551	0.3
171.02946	0.4
173.04578	3.5
179.03514	52.8
179.70404	0.3
180.03874	2.5
191.05629	100.0
192.05986	4.2
337.15234	0.3
353.08792	13.6
354.09183	1.3
376.23633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01925	0.2
59.01383	0.5
69.82842	1.5
85.02960	4.9
87.00902	1.0
93.03469	2.2
94.82588	0.3
111.04540	0.4
115.72159	0.3
116.64185	0.3
118.39630	0.3
127.04033	1.2
133.02963	0.4
135.04547	2.0
136.04794	0.3
161.02432	2.0
173.04549	2.2
179.03497	2.6
190.68166	0.3
191.05621	100.0
192.05933	3.6
353.08749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01380	2.5
60.99297	0.7
67.01895	3.9
69.03455	1.0
69.55925	1.8
69.56351	2.8
71.01405	3.6
80.56018	0.6
81.03438	1.0
83.05036	1.0
85.02973	7.5
87.00884	2.3
93.03472	22.3
94.03841	0.8
98.19904	1.1
107.05012	0.8
109.02950	2.0
111.00898	1.5
111.04546	5.6
113.02449	0.6
127.04012	2.4
133.02965	2.0
134.03737	3.3
135.04541	63.9
136.04855	3.8
137.02483	3.8
155.03540	5.1
161.02513	3.9
173.04561	100.0
174.04875	3.1
179.03517	69.0
180.03822	3.2
191.05632	51.0
192.05994	2.1
207.05096	4.3
294.48618	0.7
353.08826	11.0
354.09183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.01438	0.4
59.01391	1.2
59.06139	0.4
68.14828	0.5
71.01408	0.9
71.12753	0.8
83.05036	0.6
85.02959	6.2
87.00876	1.4
93.03483	3.4
107.05045	1.0
109.02946	0.8
110.27878	0.4
111.04522	1.7
127.04033	1.7
133.02943	1.3
134.03749	4.6
135.04539	51.5
136.04854	1.9
137.02469	0.7
146.09998	0.5
151.35799	0.5
155.03496	1.6
155.56125	0.5
161.02370	2.5
173.04573	3.8
179.03511	55.0
180.03864	3.1
191.05630	100.0
192.05949	3.5
210.06026	0.5
259.26605	0.5
276.91714	0.5
353.08817	15.3
354.09048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
54.91294	0.4
58.82412	0.4
59.01384	1.4
66.91428	0.4
67.01912	0.5
70.18874	1.3
70.19256	0.9
71.01390	1.4
77.44793	0.4
81.03459	0.5
83.05033	1.1
85.02966	8.1
87.00871	1.7
93.03472	5.3
98.20026	0.7
101.51881	0.5
102.16274	0.5
107.05103	1.0
107.98578	0.6
108.02092	0.5
109.02981	1.3
110.06483	0.5
111.04546	2.4
121.69308	0.5
127.04049	2.8
133.02980	1.1
134.03793	4.0
135.04541	39.4
136.04845	1.7
137.02591	0.9
142.71326	0.4
155.03543	0.9
159.72656	0.6
160.76915	0.5
161.02417	3.5
173.04550	6.2
179.03510	33.1
180.03865	1.2
191.05624	100.0
192.06018	3.6
350.16953	0.5
353.08591	8.4
354.09378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2156
Annotation	Manaarenolide C
Peak:m/z	Relative Intensity
59.01380	7.3
70.94475	2.1
75.08737	1.2
82.21086	1.0
88.00460	1.0
93.03394	1.3
94.37035	0.9
96.95986	1.6
105.57724	1.0
129.65326	1.1
133.02893	2.2
136.18192	1.1
191.05664	1.8
192.95837	3.8
225.18611	2.5
235.20644	1.3
237.22343	6.9
238.22575	2.1
247.85721	1.1
257.18970	1.6
269.21228	3.4
283.22870	3.2
287.16379	1.8
287.19583	1.4
289.17859	2.8
289.21506	1.1
291.19629	1.3
293.48755	1.1
303.19272	3.8
305.07813	1.1
305.17514	2.5
305.21014	48.3
306.21405	5.3
307.22818	3.9
333.20490	3.6
351.21564	100.0
351.25040	3.7
352.21844	10.2
353.54272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.84433	1.2
55.01870	3.5
57.03451	8.4
59.01379	7.2
67.27911	1.1
69.03452	5.6
70.95583	1.8
70.95917	1.9
71.05027	67.4
82.10029	1.4
83.05048	1.5
113.70689	1.3
113.99615	1.2
147.19710	1.2
207.34724	1.5
223.20738	6.8
235.20697	6.3
237.22180	2.1
251.23761	5.4
252.24294	1.3
265.25375	5.0
268.16486	1.3
289.25461	3.2
291.23337	1.5
307.26453	100.0
308.26788	11.3
333.24377	6.5
351.25406	82.8
352.25797	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	351.1709
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.26154	1.3
51.54359	1.3
52.85969	1.5
55.01886	1.3
57.03461	2.2
59.01389	12.0
71.05030	3.6
71.55983	2.5
81.03471	1.3
83.05019	1.4
83.47424	1.2
84.02180	2.0
93.03487	1.9
96.96037	1.8
101.76242	1.2
121.10238	7.5
121.16594	1.5
133.02951	4.7
134.97038	1.7
171.10278	19.8
191.05650	2.4
192.95975	1.3
215.05530	1.8
231.21271	1.5
263.23825	20.3
264.24142	2.7
275.20178	21.4
276.20578	2.2
289.21835	1.5
293.21280	15.1
294.21542	2.6
307.19263	2.4
307.22781	28.8
308.23041	2.9
315.19699	1.8
333.20764	1.9
333.24640	1.9
351.17029	100.0
351.21741	37.7
351.25504	3.1
352.17337	8.4
352.21942	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
57.03445	3.8
58.00590	3.7
59.01384	100.0
65.22872	1.5
70.67604	2.8
70.67944	3.0
71.01385	76.7
72.99289	3.4
73.02950	9.1
83.01379	4.7
83.45546	1.5
85.02954	22.3
87.00895	4.8
89.02452	66.1
95.01392	4.2
99.00885	4.3
101.02446	44.4
101.73576	1.6
113.02450	34.5
115.07705	1.8
119.03510	29.7
131.03499	2.0
143.03499	3.8
149.04564	2.5
159.03004	3.3
161.04567	18.7
179.05647	10.4
180.06085	1.5
182.73720	1.7
187.13388	10.6
192.83911	2.0
341.27527	1.8
349.18689	55.9
350.19092	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01883	4.8
57.03440	3.2
58.00595	3.6
59.01384	100.0
60.01703	2.0
69.03496	1.5
71.01389	90.2
71.57275	1.2
72.01736	2.0
72.99305	6.3
73.02954	17.2
75.00879	1.4
80.33301	1.2
83.01396	7.5
85.02954	24.5
87.00880	5.0
89.02451	70.6
90.02787	1.2
91.63280	1.3
94.73997	1.1
95.01399	5.9
97.02962	1.5
99.00890	5.9
101.02452	67.2
102.02811	1.6
111.08090	1.3
113.02459	40.0
119.03512	29.1
131.03493	1.8
134.51694	1.2
141.09296	1.8
143.03499	7.4
149.04547	1.9
159.03003	4.3
161.04564	26.1
179.05617	9.8
187.13377	9.7
287.87671	1.4
349.18713	32.0
350.19046	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	349.2363
Annotation	U-44069
Peak:m/z	Relative Intensity
59.01378	0.6
65.97018	0.4
71.01411	0.6
72.61228	0.3
73.08938	0.3
94.84534	0.4
97.29863	0.4
97.55634	0.4
154.32726	0.4
253.21671	2.0
265.17651	0.6
271.16885	0.7
279.23340	0.5
281.24875	19.6
282.25177	1.9
285.18198	0.4
297.18375	0.9
299.19879	3.0
301.21564	2.8
305.17316	1.0
321.24179	1.5
331.18982	0.9
333.20462	7.6
333.24103	0.7
334.20764	0.7
335.21960	0.7
349.23624	100.0
350.23969	13.0
363.21472	0.6
365.23102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13318	13.8
57.03448	15.6
59.01389	100.0
60.45347	16.7
60.67146	13.2
68.02891	14.2
68.39894	16.5
70.71036	39.7
93.03473	23.8
109.02998	19.0
124.75809	13.6
133.02960	66.1
135.04546	25.3
173.04550	38.6
177.01991	23.1
191.05637	34.9
223.86552	16.5
236.69612	14.7
262.16104	14.1
341.73724	15.4
351.18188	50.6
351.21686	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35825	1.0
55.01863	2.9
57.03443	3.0
58.00599	3.4
59.01385	100.0
70.67699	3.3
71.01389	69.5
72.99309	3.5
73.02955	6.9
75.00880	1.1
83.01418	5.1
85.02952	17.9
87.00878	3.4
87.04520	1.7
89.02451	60.3
95.01387	4.7
99.00893	3.8
101.02457	42.9
113.02463	26.5
119.03513	25.9
121.04526	1.3
131.03532	2.3
135.49719	1.2
143.03520	4.0
149.04565	1.8
159.02953	1.8
161.04576	16.0
179.05670	7.9
187.13406	8.4
222.17717	1.2
349.18671	38.7
350.19022	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03454	2.4
58.00597	3.4
59.01383	100.0
60.01732	0.8
61.87344	0.5
70.30729	2.3
71.01386	55.4
72.01740	1.3
72.99316	3.5
73.02952	7.2
74.94539	0.6
83.01402	3.9
85.02950	12.6
87.00881	3.0
87.04521	1.2
89.02450	50.4
90.02755	0.8
95.01375	3.4
99.00908	2.7
101.02451	39.1
113.02458	23.4
113.03251	0.8
114.02815	1.0
115.03974	0.7
119.03513	21.1
125.02502	0.7
129.54039	0.5
131.03526	3.4
132.36115	0.6
136.07762	1.0
143.03506	4.3
143.32335	0.6
149.04588	1.4
149.69945	0.6
159.03014	1.4
161.04584	12.0
179.05609	7.6
187.13425	7.4
268.81812	0.6
349.14688	1.1
349.18674	13.3
350.19131	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	349.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.3
64.18098	0.9
65.40134	0.9
69.42052	4.2
69.42481	3.2
71.01389	14.2
72.04562	1.0
73.02949	1.6
84.04559	2.5
85.02969	3.3
89.02451	8.6
94.06638	1.7
95.01388	1.0
95.03765	4.8
95.05030	1.4
96.04544	1.4
96.08191	2.4
96.82902	1.0
97.01710	1.6
101.02440	7.2
106.06669	1.1
108.04575	3.5
109.03088	0.9
110.06133	10.8
112.04079	2.8
113.02460	4.9
116.92863	1.6
119.03533	2.4
121.05335	5.5
122.06139	15.0
123.04544	1.0
124.07683	20.1
134.03627	3.7
136.07692	88.6
137.08044	3.7
138.05681	2.6
138.09253	45.8
139.09608	2.0
149.08485	1.7
150.05608	7.6
159.02899	1.4
161.04597	2.1
162.05655	2.9
164.07281	2.0
168.06691	13.4
176.04626	1.4
180.06694	2.6
182.08344	1.9
188.10837	3.3
190.12427	1.0
192.04190	1.3
218.15503	8.7
233.12991	3.5
243.11560	1.0
244.13344	6.2
245.12904	5.4
258.10040	4.4
261.16107	10.9
272.11517	1.0
277.12131	1.5
287.11325	1.7
287.14078	8.9
305.11710	5.4
305.15164	8.8
331.12967	5.2
349.14145	100.0
349.18472	7.5
350.14478	11.2
350.18726	1.7
367.05496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77497	1.2
55.32906	1.2
58.00594	3.6
59.01385	77.5
63.10392	1.2
71.01389	46.1
71.54114	1.1
72.99303	4.3
73.02943	3.0
81.26497	1.3
83.01392	2.6
85.02953	12.0
87.00871	4.4
89.02451	40.2
93.03468	2.9
93.41361	1.3
93.47178	1.4
94.03052	1.4
95.01405	3.7
96.04540	2.6
99.00883	1.6
101.02455	29.1
108.04569	6.8
110.06128	20.4
111.39973	1.3
113.02469	15.6
116.92857	1.8
119.03509	16.7
122.06124	6.4
123.08154	2.0
125.09705	2.9
136.07697	7.4
143.03490	3.7
151.07655	1.9
159.03059	1.4
160.07626	2.6
161.04584	4.4
168.06712	2.4
169.08707	100.0
170.09065	5.1
173.04564	2.0
176.24634	1.3
179.05669	7.9
187.09734	2.7
190.12317	3.8
191.05652	2.1
204.09120	1.5
205.09810	3.3
217.09956	2.1
217.28465	1.4
233.13023	9.8
277.11942	23.6
278.12204	2.0
287.10345	2.0
301.10815	2.3
331.14035	6.3
349.15012	72.9
350.15265	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	347.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
67.86798	1.1
71.05026	2.3
77.30067	0.9
83.05025	1.9
91.05548	2.1
95.05056	1.3
99.27769	0.9
108.02175	2.8
169.12357	1.9
201.72093	1.0
207.17535	3.1
217.19612	3.6
233.19106	1.1
235.20657	23.2
244.67114	1.0
253.15894	2.1
255.17316	2.3
261.18613	1.8
275.16296	1.6
275.19907	2.8
283.16806	2.0
285.18292	5.3
287.16382	3.9
289.17734	1.8
303.19440	100.0
304.19754	9.7
317.17450	1.6
319.18704	1.5
321.19098	1.7
329.17264	6.2
347.18430	73.4
347.25800	4.7
348.18799	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	347.2592
Annotation	Carbocyclic Thromboxane A2
Peak:m/z	Relative Intensity
52.86973	0.6
59.01376	1.6
59.62661	0.5
63.96932	0.5
67.13272	0.6
71.55174	0.6
71.55656	0.5
72.72810	0.5
74.54340	0.6
75.74258	0.5
107.81052	0.6
130.55812	0.6
221.84180	0.6
236.12503	0.7
303.19485	0.7
323.64957	0.7
347.25916	100.0
348.22110	0.9
348.26263	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	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98835	100.0
62.98545	0.4
63.99257	0.7
66.37709	0.3
70.84722	0.6
85.25767	0.3
136.29424	0.4
143.36894	0.3
162.98468	1.4
164.96379	0.4
199.50967	0.4
204.00020	1.5
205.00124	3.3
205.99754	5.2
206.97458	58.7
207.97536	3.9
208.78391	0.3
244.30591	0.3
263.48227	0.3
272.78418	0.4
312.59708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17016	1.2
59.01388	7.5
63.43748	1.2
69.42845	9.0
71.01381	4.3
73.02971	1.8
73.67990	1.4
78.95914	52.5
83.05039	1.6
89.02454	3.1
93.03459	1.4
96.96973	100.0
97.06597	1.2
98.20691	2.3
101.02457	3.0
101.28784	1.2
113.02528	1.3
125.06061	2.0
125.23143	1.2
130.64230	1.3
137.02463	1.3
189.51067	1.3
191.05533	1.8
217.05180	1.4
277.11884	1.7
286.33362	1.4
289.02402	3.3
313.11472	2.2
349.11490	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	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
51.11953	0.6
57.03456	1.0
59.01385	100.0
60.01718	0.9
69.03458	1.0
70.06081	2.6
71.05028	0.7
80.38654	0.6
84.02180	1.0
85.02964	4.1
97.06654	0.8
99.08141	3.8
101.06089	1.7
106.49025	0.6
109.06606	1.7
111.08107	0.6
111.19827	0.6
114.40499	0.6
123.08179	2.3
123.40187	0.6
125.09753	1.3
125.91766	0.6
137.09752	3.2
149.09749	1.9
162.65463	0.6
165.12845	7.9
166.13130	0.6
167.10800	8.6
183.13925	2.5
185.11844	1.0
327.21826	6.2
345.22821	91.6
346.23160	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50031	0.1
56.23469	0.1
56.27173	0.1
59.01385	6.6
60.01719	0.5
60.92809	0.1
61.01813	0.2
61.98835	100.0
62.98541	0.2
70.68806	0.3
70.69144	0.2
78.97838	0.1
92.15898	0.1
118.56348	0.1
159.03340	0.2
161.01260	0.3
201.02573	0.9
202.02710	2.6
203.02296	3.2
204.00003	45.2
205.00145	3.7
205.02214	0.2
205.02863	0.1
243.98547	0.1
284.63058	0.1
346.00961	0.8
347.01532	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	346.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
61.98822	0.7
62.96401	0.9
70.25437	1.0
70.25791	1.2
71.01380	0.8
78.95912	65.1
85.02952	0.6
89.02456	0.9
92.02546	0.7
93.03441	0.5
96.96971	16.2
101.02474	0.6
107.03635	1.5
120.96989	6.2
121.02928	0.5
131.88712	0.4
134.04742	38.3
135.05109	0.7
138.01993	0.9
138.98091	0.5
139.04042	0.7
149.04539	0.5
173.04628	0.7
179.05664	0.5
211.00148	100.0
212.00516	2.4
272.25272	0.5
340.45035	0.5
346.05551	10.0
346.09415	0.7
347.06430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2285
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03449	1.6
59.01382	1.5
61.99160	0.5
62.63400	0.4
66.01415	0.4
71.05057	0.7
71.57157	0.6
71.74144	0.4
73.26920	0.4
75.00875	0.7
75.15659	0.4
83.05019	0.5
86.43455	0.4
97.06592	0.7
105.40393	0.5
106.44881	0.4
111.08179	1.8
123.08194	0.9
125.09734	2.5
127.11285	1.6
137.09770	0.6
139.11311	1.9
153.12863	0.7
155.10788	0.9
159.04539	0.4
171.10289	1.6
187.09602	0.5
201.11346	1.4
247.20671	10.1
248.21071	0.8
265.21729	8.4
266.22046	1.2
266.37387	0.4
273.18710	0.9
281.21277	0.5
283.22876	1.8
285.20691	1.0
291.19708	4.3
299.22330	0.5
301.23923	1.4
309.20706	13.7
310.21155	1.3
327.21802	16.4
328.22098	1.7
330.10699	0.4
338.07385	0.4
345.22845	100.0
346.23141	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	99.7
60.01722	1.5
62.20707	1.0
68.91068	1.1
71.01382	4.6
71.54556	1.5
72.98586	1.5
73.02950	2.0
78.95907	16.4
85.02975	2.4
87.00894	1.7
89.02447	2.3
93.03468	1.7
95.05019	1.8
96.96974	3.2
101.02450	3.4
105.03484	1.4
109.02991	1.1
110.02509	1.5
111.00934	1.1
111.02013	5.6
113.02436	1.4
121.03011	1.5
123.00901	3.3
123.04535	100.0
124.01675	4.4
124.04042	1.6
124.04871	4.0
134.04710	2.9
139.00453	1.4
139.04005	4.1
161.04530	5.5
166.99861	3.2
173.04570	1.2
182.02171	1.6
183.02888	1.7
191.05655	3.1
211.00125	4.4
213.05199	9.9
216.80627	1.1
330.05862	1.5
342.35883	1.2
345.04587	1.3
345.08527	7.2
346.05420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60780	1.6
51.07531	1.6
55.01871	2.3
58.00592	2.7
59.01387	73.9
65.03970	7.5
65.56243	1.9
67.01884	2.6
69.88510	8.8
71.01018	2.5
71.01393	47.4
72.99305	4.0
73.02918	1.8
78.95898	2.8
78.96870	1.5
80.02683	14.7
83.01398	2.2
85.02953	7.8
87.00871	2.0
89.02460	39.6
91.05559	2.2
93.03472	4.7
93.07089	4.8
95.01403	4.2
95.05022	1.6
98.20583	2.3
101.02462	29.4
103.05553	71.5
104.05907	2.4
106.04264	40.4
109.06637	2.7
113.02483	15.1
119.03542	14.3
119.05038	13.1
121.06618	100.0
122.06931	3.9
133.06653	2.1
134.03297	2.0
142.27582	1.7
149.04512	2.0
160.19844	1.7
165.05600	76.2
166.05914	4.0
171.06561	2.1
173.04532	3.4
179.05605	2.1
183.06624	3.2
191.05615	1.8
290.97086	2.7
322.64426	1.6
345.11865	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	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01870	3.9
57.03445	5.6
59.01388	100.0
61.52061	2.5
68.66656	2.2
71.01392	63.7
71.55187	3.0
71.55524	2.7
72.99316	3.9
73.02930	5.7
75.00886	20.7
78.56763	2.3
83.01376	4.6
85.02956	31.2
87.00900	4.0
89.01942	5.1
89.02454	67.6
95.01384	5.5
99.00896	3.4
99.75523	2.4
101.02455	41.9
113.02452	36.2
119.03509	26.8
121.10242	30.7
131.03554	3.1
132.04547	7.4
135.04541	2.7
143.03484	3.0
158.91666	2.6
161.02403	4.7
161.04526	3.3
165.04321	3.8
173.04552	7.1
176.03683	2.6
179.05452	6.0
191.05673	12.2
243.12325	2.8
250.06450	2.8
288.24744	2.7
336.63135	2.9
345.10925	13.3
345.15460	87.0
345.22391	4.3
346.15750	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	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.00573	1.0
59.01108	1.9
59.01387	27.9
70.89480	1.5
71.01390	19.3
72.73212	0.9
72.82748	1.1
78.62709	0.9
79.01483	1.3
83.01411	1.6
84.04539	1.9
85.02968	3.4
89.02448	18.6
93.03469	2.2
95.01382	1.8
95.03808	5.0
96.08191	3.2
101.02457	10.9
104.05083	2.6
106.06632	10.8
113.02460	8.4
119.03517	10.2
122.06138	4.4
124.07696	11.4
126.42626	1.0
132.04573	62.8
133.05367	38.1
134.06175	9.9
135.04565	2.5
135.21767	1.0
146.02499	1.4
148.04048	4.1
150.05655	3.0
161.04640	1.1
165.04317	37.5
172.11255	1.0
176.03690	1.4
177.04349	6.5
178.05086	2.5
179.03465	1.4
179.05646	1.1
184.07678	1.8
185.08435	1.4
186.09238	6.1
187.05037	1.2
187.08807	1.5
209.03316	7.2
213.06767	4.2
214.12398	10.6
215.11847	12.1
226.07428	2.4
227.08354	2.0
229.09860	4.7
240.10304	2.2
241.09868	7.0
242.10477	1.2
257.12967	54.0
258.13321	3.5
283.10867	12.4
301.11948	37.5
302.12311	4.4
327.09891	2.5
345.10965	100.0
345.15488	10.1
345.22900	3.2
346.11182	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	345.1095
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.15445	0.5
59.01377	0.9
69.20341	4.9
71.01364	0.7
72.22418	0.5
80.59833	0.5
84.04571	0.5
85.78249	0.5
95.03763	1.7
96.08197	1.2
97.01670	0.7
98.19901	0.8
104.05068	1.3
106.06647	5.4
114.53838	0.4
122.06123	3.0
123.03273	1.2
124.07690	6.9
132.04565	35.3
133.05360	22.7
134.06158	4.5
138.05618	0.6
146.02547	0.8
148.04013	2.0
150.05623	1.9
165.04326	21.2
166.04681	1.0
176.03505	1.4
176.07236	0.6
177.04333	4.5
178.05063	1.8
184.07707	0.9
185.08493	1.1
186.09315	4.8
187.08701	0.6
188.07269	0.5
191.07150	0.6
198.09241	1.2
204.56084	0.5
209.03288	5.4
210.03743	0.6
213.06721	4.1
214.12372	7.1
215.11887	6.7
228.05412	0.5
228.09163	0.6
229.09828	3.1
240.10370	0.8
241.09821	3.8
242.10188	0.5
255.11310	1.1
257.12976	23.6
258.13281	1.6
283.10922	8.4
283.13766	1.0
284.10992	0.9
301.11954	18.9
302.12314	1.5
327.09854	1.3
345.10916	100.0
346.11249	10.7
359.46335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39389	0.8
57.03422	1.3
59.01385	91.2
60.01727	1.2
62.42702	0.8
69.47213	1.2
69.47611	5.8
69.94633	0.9
73.92120	0.9
75.94778	0.9
77.56384	0.9
78.95801	0.8
98.20583	1.9
110.69721	0.9
124.99677	0.8
127.11379	1.8
132.56558	1.0
165.78941	0.9
197.15414	2.2
201.02542	1.2
223.39099	0.9
267.23206	3.3
283.26422	6.9
297.24432	1.0
343.28531	100.0
344.28851	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	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
51.72856	0.8
55.67585	0.8
57.03456	6.6
59.01385	100.0
60.01714	1.0
86.12421	0.6
92.19608	0.7
93.93378	0.7
197.19115	6.0
199.82544	0.8
200.05919	0.7
211.27162	0.7
283.26474	12.0
284.27017	0.7
343.28549	65.8
344.28888	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2854
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
52.34987	0.5
57.03465	1.4
59.01385	100.0
60.01719	1.8
71.56324	0.7
89.70484	0.6
92.38891	0.6
96.63926	0.6
121.17694	0.5
150.23457	0.6
216.57405	0.7
221.14906	0.6
223.84514	0.6
250.15150	0.5
265.25256	1.7
267.23322	2.4
283.26520	4.9
283.29352	0.8
297.24225	0.7
299.25070	1.1
343.25031	5.0
343.28540	98.1
344.28906	12.6
366.90802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01385	36.3
61.04564	0.6
69.81284	3.3
75.00877	18.1
94.86507	0.5
95.44627	0.7
105.00961	0.7
124.20252	0.6
149.08458	0.6
169.84250	0.7
201.13803	0.6
223.20680	5.7
239.23608	0.7
243.91451	0.6
263.23755	6.7
264.24286	0.8
265.21722	0.9
267.19672	2.9
278.43991	0.7
281.24875	34.2
282.25034	3.0
283.22791	83.5
284.23117	6.2
285.20776	9.0
286.20901	1.1
297.24445	0.7
300.99359	0.7
307.22690	1.0
325.23819	12.6
326.24167	1.2
343.21506	4.6
343.24878	100.0
344.25204	10.0
354.42511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66362	0.6
56.45989	0.5
57.03432	0.6
59.01376	4.2
69.03460	0.7
69.97378	2.4
72.72359	0.7
72.99313	3.1
82.45113	0.5
83.05023	0.9
86.65195	0.5
92.85203	0.5
97.02982	0.5
97.06557	1.2
97.86424	0.6
99.00844	0.6
99.08156	3.0
121.10243	7.0
125.09711	1.4
127.11297	1.4
127.83572	0.6
128.26764	0.5
137.09729	1.4
139.11285	1.6
150.84019	0.5
154.17294	0.5
159.17130	0.7
171.10286	42.7
172.10616	2.6
181.53856	0.6
185.11856	0.6
193.12360	5.7
211.13376	1.2
225.14964	7.5
226.15323	0.9
239.20175	1.1
243.15999	2.8
251.19472	0.6
253.21780	0.9
281.21124	1.4
289.18198	0.7
293.21326	3.2
299.22217	4.0
299.39700	0.6
325.20053	1.4
343.21326	7.7
343.24893	100.0
344.21445	1.3
344.25247	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03453	1.7
59.01394	2.7
60.14784	0.4
69.03449	1.5
69.65700	2.1
71.05020	1.0
72.99323	1.0
75.00887	0.6
76.09296	0.5
81.03470	0.5
83.05028	1.4
93.07118	2.7
97.06576	1.3
97.34019	0.4
99.08166	10.2
100.08466	0.4
101.93762	0.4
107.67345	0.5
111.08180	1.0
119.30239	0.4
121.10238	1.4
125.09721	1.4
127.11276	1.5
137.09715	1.7
139.11295	0.9
142.09608	0.4
149.13406	0.8
151.11234	0.7
165.12848	1.1
171.10294	13.2
172.10629	0.7
175.11258	1.0
187.09683	0.6
193.12349	16.9
194.12703	0.9
197.15469	1.0
211.13435	2.9
213.15001	0.4
213.18625	3.4
225.14977	22.8
226.15282	1.3
235.20430	0.6
237.22319	0.9
243.16020	8.4
253.21692	0.8
263.20197	1.6
274.11075	0.5
281.21127	1.6
293.21295	2.5
297.20700	1.1
299.22098	1.4
325.20145	1.7
325.23834	0.6
343.21268	11.3
343.24902	100.0
344.21527	1.1
344.25241	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01391	4.4
66.42036	0.6
69.76132	3.5
71.01379	1.0
71.05020	0.6
75.00888	1.0
78.93291	0.6
89.29542	0.5
90.88052	0.5
97.06581	1.4
97.19938	0.5
98.19978	0.9
115.91912	0.7
121.10254	10.2
125.09692	0.9
127.11279	2.5
137.09743	2.3
139.11324	8.8
140.11615	0.8
158.07066	0.6
164.61133	0.6
165.09119	1.1
171.10284	65.5
172.10587	2.8
209.19131	1.4
227.20219	1.0
237.22212	5.9
238.22668	0.7
239.20239	1.0
244.48717	0.6
255.19502	1.2
281.21231	13.5
282.21545	2.0
293.21262	0.8
299.22296	5.5
325.20117	3.0
325.23724	1.1
343.21170	21.9
343.24890	100.0
344.21564	2.1
344.25226	11.0
349.61298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01382	3.2
67.71932	0.4
69.18366	0.4
69.18685	4.1
92.03732	0.4
98.20672	0.8
112.04170	0.4
140.99210	0.4
201.02557	0.8
236.36366	0.4
240.86966	0.5
251.23781	0.6
253.25383	1.3
263.23792	5.2
264.24149	0.8
279.23267	0.8
281.22504	0.5
281.24875	23.2
282.25171	2.6
297.24353	37.0
298.24667	4.1
307.22794	0.5
325.23914	2.6
343.24896	100.0
344.25220	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	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
59.01384	0.7
69.03480	0.7
71.26731	0.6
71.27059	0.4
75.00880	0.5
83.04993	0.5
95.05039	1.0
97.05975	0.9
97.06602	16.0
98.06892	0.5
102.29732	0.4
104.56905	0.4
115.65276	0.6
123.08185	7.4
125.09737	95.8
126.10069	3.7
127.11308	1.6
131.21339	0.4
139.11336	2.1
143.10805	1.5
151.18889	0.5
155.10815	2.6
159.10292	0.8
169.08716	1.9
173.11841	41.4
174.12180	1.4
187.09766	17.9
188.10089	1.1
201.11328	0.7
253.21660	1.0
255.19662	1.6
263.23889	0.9
271.06339	0.4
281.21222	7.3
299.22311	3.0
307.22775	0.7
325.20224	9.3
325.23849	0.9
326.20612	1.3
343.21265	100.0
343.24670	4.5
344.21613	9.7
359.02451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89295	0.8
57.03446	1.1
59.01380	3.6
63.99612	0.9
71.01405	1.0
71.55607	0.9
72.99303	0.9
73.53692	0.7
87.04621	1.0
97.06618	1.3
106.91256	0.8
121.10236	6.3
125.09747	1.6
127.11299	2.0
137.09770	1.7
137.74187	1.0
137.88585	1.0
138.52831	0.8
139.11293	5.9
165.09172	1.1
171.10295	47.2
171.51483	0.7
172.10568	1.7
209.19095	2.8
221.19180	1.1
237.22244	27.6
237.98305	0.9
238.22545	2.7
239.20143	2.5
253.18005	2.1
253.21909	1.0
263.20242	1.1
281.21252	53.6
282.21643	7.0
285.20837	1.0
293.21045	1.3
299.22290	15.7
300.22571	1.3
325.20267	16.6
325.23846	1.4
326.20490	1.7
343.21198	100.0
343.24951	75.6
344.21527	10.1
344.25284	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	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.93462	0.6
57.03434	1.2
59.01387	91.2
60.06888	0.7
69.03454	1.7
69.63280	1.3
69.63685	3.2
71.01383	2.1
71.05046	1.4
73.02944	1.2
83.05035	1.4
84.02161	1.4
85.02962	5.2
89.52857	0.7
89.93578	0.6
95.05039	1.6
97.06599	6.3
97.13932	0.7
98.19900	1.1
99.04529	0.8
109.06529	0.9
111.08161	0.9
121.02943	0.9
123.08186	3.7
124.67844	0.8
125.09742	1.4
127.07642	1.0
134.03773	1.0
135.08156	1.3
136.01653	1.2
137.02426	1.4
137.09726	3.6
139.11324	0.8
145.64694	0.6
149.09766	0.9
151.04027	0.8
153.09195	1.2
157.08737	0.7
163.11333	0.8
165.12903	4.3
165.14084	0.9
167.10834	4.5
171.10274	3.7
172.24374	0.8
183.13904	1.8
185.11794	1.2
195.10268	1.0
201.11400	0.7
211.13437	2.0
229.14459	2.9
277.97363	0.7
325.20233	7.9
343.21271	100.0
344.21597	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	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01383	10.6
69.39986	2.1
71.74097	0.3
81.03474	0.4
86.40311	0.3
95.05036	0.4
107.05008	0.4
108.42999	0.3
109.02975	5.2
109.06602	3.3
119.05044	3.0
121.02978	4.8
121.03794	0.6
122.03738	1.0
125.63890	0.3
135.04530	3.5
137.06093	28.4
138.06459	1.1
166.86143	0.4
181.05081	100.0
182.05406	4.9
246.16351	0.3
343.10358	13.6
344.10834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1402
Annotation	Taxuside
Peak:m/z	Relative Intensity
54.12430	0.2
59.01382	1.2
63.28066	0.2
64.65353	0.2
67.01901	0.3
69.92725	1.2
71.01387	0.8
73.02958	0.3
85.02934	0.4
89.02444	0.3
93.03468	1.1
101.02433	0.4
106.32207	0.3
107.05049	0.3
108.02187	0.5
109.02933	0.6
109.06593	0.4
111.04533	0.7
113.02476	0.3
121.02966	0.6
121.06587	0.4
122.03747	10.1
123.04518	0.3
124.01698	0.6
135.04498	0.6
136.05309	19.6
137.02457	1.1
137.06108	3.5
149.06058	0.5
151.04010	0.3
153.16443	0.3
154.02730	0.9
155.03511	0.3
163.07646	0.3
169.08734	1.4
173.04555	1.7
179.03503	0.4
179.07129	0.8
180.04292	29.1
181.05243	7.0
181.08707	100.0
182.09033	5.2
191.05595	0.6
191.07028	0.5
193.05045	0.7
219.42963	0.3
223.09744	1.0
253.07126	0.5
299.10461	0.3
304.17593	0.2
332.25073	0.3
343.10336	18.9
343.13986	1.7
344.10663	1.4
344.14374	0.4
362.29410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.3
61.86709	1.1
71.55728	1.5
72.03272	1.1
72.99315	89.5
73.02955	1.3
127.82782	1.2
150.43665	1.3
151.00490	1.6
209.19203	1.9
221.19118	4.7
237.22243	3.8
239.20204	3.8
263.20206	4.4
265.18069	1.6
269.21317	6.1
281.21237	97.6
282.21600	7.6
283.19101	5.4
299.22345	2.2
301.20236	4.5
307.19321	1.6
325.20209	100.0
326.20529	9.9
343.21228	48.3
343.24896	5.6
344.21570	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
53.06552	0.4
57.03446	0.7
59.01375	1.6
61.66366	0.5
70.85975	0.4
70.86300	0.8
71.01380	0.6
71.05026	23.2
73.02970	1.2
83.05025	1.2
89.02449	0.6
131.08095	0.4
144.14088	0.4
179.05637	0.7
185.00812	0.7
216.99066	0.4
250.41884	0.4
263.64014	0.4
267.26941	3.6
267.93848	0.5
281.28503	26.9
282.28836	2.5
323.29562	13.6
323.32471	0.4
324.29819	2.3
341.20142	2.0
341.30609	100.0
342.30939	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	341.3063
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
50.52351	0.7
66.56411	0.8
98.19936	1.9
102.16254	0.7
148.34259	0.8
156.92120	1.0
184.01575	0.8
185.00827	3.3
192.58089	0.7
267.26868	1.4
293.28448	4.1
295.30084	60.9
296.30447	6.8
323.29504	1.0
341.19818	9.9
341.30624	100.0
342.30923	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	343.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56424	0.2
56.03318	0.2
59.01385	90.7
60.01726	1.1
69.79432	1.0
79.51949	0.2
83.88361	0.2
94.44410	0.1
98.20621	0.4
104.53276	0.2
107.17838	0.1
113.04577	0.4
115.02496	0.3
127.16650	0.2
130.79636	0.2
136.94020	0.2
157.03578	7.0
158.03703	0.6
159.01518	3.5
178.95079	0.9
178.97691	0.2
201.02568	100.0
202.02731	9.7
260.95425	0.4
343.03690	2.4
344.03848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01391	3.6
69.59238	3.5
69.59649	1.5
71.01392	1.9
72.99319	9.7
73.02963	0.9
75.00882	1.4
78.95925	1.1
81.03462	0.8
85.02977	0.7
89.02463	2.2
91.52616	0.7
93.03468	11.1
93.48453	0.6
101.02470	0.9
106.04198	0.7
107.05050	2.0
109.02921	1.1
113.02443	1.2
119.05042	31.7
120.05340	1.4
121.02971	5.4
134.03726	2.0
135.04541	21.2
137.06067	0.9
150.04234	0.7
160.33292	0.7
163.04027	31.8
164.04395	1.6
164.07312	1.0
181.05084	100.0
182.05449	4.9
223.06277	0.9
253.07205	1.9
260.70264	0.7
343.10370	40.2
344.10706	3.5
352.37289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07297	1.3
59.01385	19.2
61.49954	0.9
71.01367	3.5
71.05023	14.1
71.54130	1.0
72.99357	1.0
83.05004	1.2
89.02438	3.4
94.51295	1.0
101.02451	1.1
103.53961	0.9
119.03502	1.2
127.22189	1.1
147.33990	1.0
152.51859	1.1
163.11246	5.1
164.11653	6.5
165.11903	3.5
184.01556	1.7
185.00717	6.5
199.00716	2.5
267.26904	1.7
279.26962	2.6
281.24966	3.7
281.28470	22.3
282.28912	1.7
297.28003	11.0
298.28391	1.2
323.29596	9.9
324.29694	1.4
341.19754	13.6
341.26877	20.9
341.30588	100.0
342.27182	2.3
342.30966	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	341.2698
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
55.40774	0.4
57.03433	1.0
59.01369	2.6
61.60024	0.3
69.93904	0.3
70.04649	1.6
70.48256	0.5
71.01381	1.7
80.89444	0.4
82.62597	0.4
87.09715	0.3
89.02443	1.8
95.11970	0.4
101.02418	0.8
113.02442	0.5
119.03526	0.7
179.05652	0.5
186.80313	0.4
277.25226	1.0
279.26941	66.6
280.27286	7.0
297.27859	2.0
298.76129	0.4
323.25909	19.7
324.26260	1.7
341.26971	100.0
342.27344	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	341.3062
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
57.03445	0.7
71.01396	0.5
71.05028	22.8
71.46094	0.4
71.46424	0.6
72.05350	0.6
73.02956	2.0
76.50363	0.4
83.05036	1.6
87.48539	0.3
98.03709	0.5
99.98462	0.5
132.33571	0.4
185.00758	0.7
192.99052	0.4
225.83319	0.4
236.66830	0.4
253.25595	0.5
267.26987	3.4
268.27417	0.5
281.28525	27.8
282.28745	2.9
305.28796	0.8
307.26782	0.4
323.29568	14.8
324.29822	2.1
341.19952	2.5
341.30618	100.0
342.30957	12.3
357.49609	0.4
360.38504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.8
69.65423	0.7
71.01388	3.8
75.00903	1.0
85.72789	0.7
89.02457	4.9
101.02447	1.8
110.70033	0.7
113.02449	0.9
119.03516	1.8
140.66467	0.7
142.02658	0.8
152.95631	0.7
156.03432	0.6
166.76224	0.8
173.11829	2.6
179.05624	2.2
185.11887	3.9
192.03799	0.7
237.22224	2.8
251.23802	3.0
261.22272	2.9
279.23291	16.2
280.23672	2.1
295.22800	0.9
297.24374	17.3
298.24725	2.1
299.22351	1.1
305.21228	22.8
305.24826	1.1
306.21680	2.2
323.22299	41.8
324.22522	4.3
341.10977	2.0
341.23334	100.0
342.23602	11.6
342.27435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
57.41626	2.8
59.01387	36.0
62.28018	2.2
69.23426	18.3
69.23838	3.4
71.01380	23.0
72.99313	5.2
73.02939	2.6
85.02963	4.0
89.02451	24.7
95.01392	3.7
101.02444	8.5
106.13075	2.2
113.02446	6.9
119.03504	7.9
161.67332	2.2
168.18773	2.2
179.05603	7.4
187.52013	2.4
204.98560	2.2
249.22305	2.7
251.23811	29.5
261.22253	6.2
269.21219	8.5
279.23297	14.4
283.22806	7.9
295.22955	5.2
295.26242	3.4
297.24414	34.5
305.21158	4.3
313.23911	2.8
323.22296	19.0
324.22690	2.5
341.10974	7.0
341.23285	100.0
341.27029	31.5
342.23755	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	341.27
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
56.24295	1.2
59.01387	55.9
63.16575	1.6
65.70183	1.2
65.90337	1.5
68.57915	1.3
71.01385	4.9
71.05035	15.0
71.10175	3.2
73.02946	1.7
79.06243	1.4
81.53651	1.4
83.05053	1.6
84.94419	1.4
89.02457	4.4
101.02423	2.0
163.11331	9.8
164.11650	18.3
165.11897	8.9
183.01279	1.8
184.01649	2.2
185.00682	7.3
191.90831	1.7
199.00719	3.5
214.11583	1.3
253.25107	1.6
267.26889	2.8
279.26932	9.0
281.24905	9.3
281.28497	19.6
282.25165	1.8
282.28818	2.8
297.28015	33.0
298.28256	2.4
323.26239	1.9
323.29587	10.5
341.10986	1.8
341.19836	17.3
341.24008	6.4
341.26874	73.1
341.30618	100.0
342.27234	9.7
342.30966	11.4
359.98804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
51.07596	2.5
57.03445	10.9
59.01388	62.6
71.01387	65.9
71.05030	16.2
72.99313	4.9
73.02975	3.6
74.89281	3.2
75.00877	17.0
77.59094	3.0
81.03462	19.9
83.01417	3.0
83.05032	21.3
84.02164	3.4
85.02941	17.0
87.00877	6.4
87.04514	7.8
89.02451	55.1
92.35847	2.8
93.03445	10.5
95.01356	3.2
95.05021	9.1
98.19827	4.9
99.04490	3.4
101.02461	22.1
109.02982	3.7
109.06594	11.1
111.04523	37.9
113.02456	22.8
119.03529	19.4
122.03767	5.7
123.04507	7.5
123.08176	3.5
125.06049	6.6
125.09752	15.0
127.07607	3.2
127.11262	4.6
131.03493	4.6
135.08148	6.1
137.06065	5.6
139.07684	3.8
143.03444	4.7
151.07645	27.7
152.07988	3.8
161.02527	3.4
161.04539	4.7
169.08681	9.6
171.10271	38.8
172.10677	3.2
179.05632	20.1
185.11848	21.0
197.11864	22.0
201.11328	16.5
209.11835	85.6
210.12296	6.4
213.11299	13.5
221.11856	5.9
221.93846	2.9
227.12910	12.8
229.78918	3.3
235.13329	4.6
235.17113	3.9
239.12920	5.4
251.12912	10.3
265.14359	6.2
279.16205	4.3
279.19711	4.5
287.16666	5.1
305.17667	14.6
323.18661	12.1
332.19250	5.5
341.11026	22.9
341.16037	8.0
341.19690	100.0
341.23825	5.0
341.69907	19.8
342.19839	5.3
346.32892	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89377	0.5
57.03428	0.7
58.21752	0.7
58.44502	0.6
59.01390	3.3
68.60014	0.6
69.03463	1.8
69.41943	0.6
71.01385	1.2
82.34394	0.7
83.05021	1.9
84.02180	7.7
89.02463	1.2
96.81904	0.7
97.02966	2.0
97.06594	10.2
98.20691	2.5
99.04530	1.6
119.08604	0.8
125.09718	1.9
127.11314	1.3
137.09769	1.1
165.12933	0.7
171.10289	24.1
172.10675	0.8
175.11249	1.0
185.11949	0.8
193.12335	14.5
194.12659	0.7
204.09947	0.7
211.13422	3.1
217.85625	0.7
225.14983	20.4
226.15269	1.6
243.16020	8.4
253.14500	1.6
270.91238	0.6
291.19577	1.8
307.71576	0.7
323.22269	0.9
341.23343	100.0
342.23697	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14031	0.5
57.01805	0.6
57.03426	0.6
59.01383	8.5
62.41639	0.5
69.03450	2.6
71.01384	5.9
72.36181	0.6
72.99313	2.2
74.62337	0.6
83.05040	1.0
84.02172	21.8
85.02507	0.6
85.02970	0.9
87.00897	1.0
89.02449	6.9
97.02959	8.0
97.06591	2.4
99.04526	5.0
101.02496	2.7
101.53101	0.5
104.05370	0.6
113.02443	2.3
119.03517	2.1
119.08665	2.6
125.09756	1.1
127.11283	1.4
135.08167	2.1
137.09740	1.0
171.10280	61.7
172.10608	2.6
179.05638	2.5
193.12378	1.7
195.13858	0.6
225.14867	2.9
235.20735	0.7
243.16037	1.2
253.14493	1.1
279.19601	4.0
291.19724	1.1
297.20636	1.6
323.18738	1.9
341.11029	3.4
341.23325	100.0
342.19937	1.1
342.23703	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66617	2.4
57.03444	8.1
59.01386	60.5
67.01888	3.1
69.03455	8.0
69.36786	19.5
71.01019	2.9
71.01392	47.5
71.05031	35.5
71.96954	2.6
72.99314	3.6
73.02952	4.2
81.03466	33.9
83.05030	26.9
85.02958	8.8
87.00911	2.8
87.04511	3.0
89.01938	4.9
89.02449	53.3
93.03461	3.5
95.01353	2.8
95.05025	15.2
97.02962	11.4
97.06621	6.5
99.04537	37.3
101.02449	20.4
109.02953	3.0
109.06626	13.1
111.04516	8.9
113.02480	18.0
113.06118	2.9
119.03510	18.2
122.03719	3.5
123.04562	2.9
123.08191	5.4
125.09693	4.3
133.06592	3.9
135.04530	2.8
135.08156	3.1
137.09689	3.1
143.03505	5.2
151.07689	11.9
153.09196	4.4
155.10785	4.0
161.04568	3.3
165.09138	2.7
171.10297	43.8
179.05638	16.8
189.12820	5.8
191.14378	7.0
193.12386	23.1
199.13432	2.5
201.11217	2.9
209.11737	6.6
211.13394	5.1
235.13420	43.1
236.13564	2.9
243.17458	6.3
249.14886	5.0
253.14465	100.0
254.14790	7.2
279.19678	4.4
287.16547	27.5
305.17593	14.3
323.18564	9.1
341.10941	20.5
341.15582	4.7
341.19635	25.4
341.23306	4.8
342.19644	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
55.39732	3.7
57.03436	11.8
59.01383	47.6
66.35865	4.0
71.01389	31.2
71.05038	6.3
71.53996	5.1
72.99285	4.0
89.02454	39.9
95.01401	4.6
96.81338	3.8
101.02466	14.1
113.02446	16.5
119.03512	14.8
127.20963	4.2
144.91762	3.6
161.04475	6.7
167.14380	4.4
179.05664	10.3
195.17567	20.7
218.49071	4.0
223.17134	5.6
235.20583	8.4
251.20232	27.7
253.21660	7.6
279.19614	19.0
297.20670	80.0
297.23755	7.8
298.20920	8.3
323.18692	12.7
341.10950	19.7
341.19656	100.0
341.23431	20.2
342.20004	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	341.1242
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01876	1.2
57.03458	2.3
58.00602	3.1
59.01386	100.0
60.01721	1.2
64.10801	0.7
65.80502	0.7
67.01894	0.7
69.46880	5.1
71.01391	61.1
72.01730	1.2
72.99309	4.6
73.02956	2.4
73.75574	0.6
75.00880	0.7
78.43797	0.7
83.01413	2.6
85.02957	9.9
85.03411	1.0
87.00899	1.7
89.02454	64.6
90.02772	0.9
95.01396	4.5
98.20631	1.4
99.00905	1.1
101.02454	38.6
102.02809	1.1
113.02460	21.7
117.07111	21.9
119.03516	28.7
119.47605	0.6
125.02473	0.8
131.03516	2.7
134.03745	1.8
135.04573	1.9
143.03506	3.4
149.04567	1.6
155.47737	0.6
161.04599	3.4
161.06020	1.6
162.06377	0.8
179.03659	1.4
179.05667	10.5
179.07211	4.2
191.05727	0.8
193.05177	2.7
227.04550	0.8
315.38220	0.6
321.99091	0.7
334.11353	0.7
341.12485	41.1
342.12967	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	341.1393
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
55.93386	0.6
56.00724	0.7
59.01327	14.6
59.01651	1.2
65.86673	0.6
71.01389	9.4
71.12047	1.1
71.12408	0.8
71.61302	0.7
73.02893	0.7
74.45385	0.7
85.02901	1.4
89.02451	9.9
91.05478	1.3
93.03387	0.8
95.78661	0.6
95.91746	0.6
101.02460	4.8
109.02940	0.8
113.02471	3.2
119.03498	3.5
131.62035	0.7
133.02983	5.1
135.04523	15.8
137.02332	1.0
145.02872	3.0
149.06044	2.6
151.03912	0.7
161.02460	16.4
161.04465	1.0
162.02742	1.0
173.04514	2.5
177.05617	4.7
179.03445	16.4
179.05525	3.2
180.03717	1.2
194.86224	0.7
196.05283	0.9
203.03427	2.4
209.06111	0.7
210.06834	0.9
221.04500	5.5
222.06844	1.3
223.07602	0.8
224.04822	5.9
225.09111	1.1
227.10765	1.4
235.07639	0.9
238.04512	0.6
238.06395	7.6
238.09967	1.0
239.06923	1.2
239.10785	2.2
241.08730	4.0
251.05206	4.3
252.04274	1.9
252.08018	1.2
253.08578	1.7
254.09468	2.0
255.10281	8.5
256.10641	0.9
265.08575	1.4
266.05862	6.1
267.06207	0.8
267.10306	1.9
269.11740	3.3
270.05386	1.7
270.12665	2.2
280.07162	0.9
281.06598	9.2
281.11472	0.9
282.09006	2.2
283.09775	47.2
284.10175	4.4
293.08115	1.0
294.09015	2.6
295.06564	1.0
295.09766	4.1
296.10599	3.7
297.11310	3.1
298.12158	5.0
309.11368	1.4
310.08444	1.7
310.12173	3.9
311.09256	100.0
312.09610	11.8
325.10815	14.5
326.11584	69.2
327.12000	6.8
341.11069	3.7
341.13971	78.6
342.14285	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	341.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29176	0.7
52.80619	0.8
55.01872	1.2
57.03457	3.7
58.00597	4.3
59.01384	100.0
60.01725	1.5
60.93959	0.8
69.36899	6.3
71.01390	67.2
72.01728	1.3
72.99310	4.3
73.02953	2.3
83.01398	2.9
85.02961	12.4
87.00892	4.1
89.02454	69.9
90.02788	0.9
95.01392	3.9
97.79771	0.7
98.19865	0.9
99.00880	1.4
101.02451	40.2
102.02843	1.0
113.02460	24.3
114.02814	1.0
117.07117	20.3
119.03516	31.0
131.03552	2.1
133.02962	0.9
134.03752	1.2
135.04501	1.0
143.03522	5.9
149.04558	2.3
161.04573	5.5
161.05888	1.1
179.04056	1.3
179.05618	12.5
179.07172	3.6
193.05051	1.3
212.38051	0.9
235.85194	0.7
268.99707	0.9
302.64673	0.7
341.12503	39.1
342.12430	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	23.8
69.32180	5.3
71.01387	19.8
72.99322	1.5
73.02964	3.6
73.43047	0.6
76.31643	0.6
83.01396	0.9
85.02976	2.5
87.00915	2.4
89.02454	19.0
89.03982	2.3
93.03539	0.6
95.01382	1.2
98.19875	0.7
99.00900	0.9
101.02458	7.4
113.02465	5.9
117.03487	10.3
119.03536	7.0
131.03537	1.0
134.03764	92.5
135.04196	3.0
137.02475	1.1
143.03540	2.0
149.04825	0.9
149.06088	6.9
161.04575	1.8
167.03520	0.7
173.00496	0.5
173.04683	0.8
178.02660	3.0
179.03481	1.4
179.05632	6.6
187.63467	0.6
193.05077	100.0
194.05423	5.5
224.86658	0.7
285.12503	0.9
303.13333	0.7
341.11163	7.4
342.11081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
58.00597	3.0
59.01383	100.0
65.90851	0.9
69.29721	8.1
69.30054	1.9
69.59536	1.0
71.01385	74.7
72.99313	2.9
73.02944	1.6
83.01419	1.7
85.02955	11.5
87.00900	4.2
89.02451	83.1
90.02834	1.2
95.01386	3.6
101.02456	35.2
113.02457	26.0
114.02825	1.2
118.15835	1.0
118.20534	1.1
119.03516	30.8
123.67402	0.9
125.02448	1.2
127.90340	0.9
130.07054	1.0
131.03505	5.0
143.03517	8.1
148.93718	1.0
149.04565	2.2
161.04565	10.5
179.05629	33.8
341.10895	39.0
342.11292	3.5
356.91925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
58.00594	3.6
59.01384	100.0
60.01707	1.4
61.65475	0.9
62.14494	1.0
62.19133	1.0
70.16353	2.1
70.16737	2.4
71.01387	64.3
72.99314	3.5
73.02944	2.0
78.95905	1.8
83.01376	1.8
85.02943	8.2
87.00862	5.3
88.74908	1.0
89.02451	78.5
89.84312	1.0
89.84940	0.9
95.01403	2.7
101.02442	30.4
110.22546	1.1
113.02456	24.6
119.03506	28.2
131.03502	4.3
135.04527	1.0
138.13672	1.2
143.03514	7.7
149.04593	2.3
161.04568	9.1
167.03534	3.1
173.04532	1.2
179.05623	30.1
281.12329	2.1
341.10916	41.3
342.11374	2.6
357.39069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
59.53893	0.4
63.44773	0.4
68.57986	0.4
69.81612	0.4
69.82021	1.7
71.92613	0.5
82.79938	0.4
90.10752	0.4
101.26974	0.4
102.52273	0.4
109.31599	0.4
112.34348	0.4
122.98062	0.4
127.42912	0.4
163.11298	100.0
164.11612	5.2
178.55582	0.4
336.20203	0.4
339.23288	66.9
340.23587	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	339.2543
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
50.66695	0.9
54.67834	0.9
55.85852	0.8
58.87151	0.8
59.01379	2.7
71.56261	1.1
101.02425	1.5
111.74861	0.9
119.05053	2.6
131.18973	1.1
142.46458	1.0
163.11229	1.2
183.01248	4.4
193.07190	1.1
197.02771	2.7
225.09119	1.1
277.25388	26.3
278.25690	2.0
281.62677	1.0
295.26431	100.0
296.26804	9.5
321.24347	3.4
339.12411	2.2
339.16296	1.4
339.20035	16.2
339.25366	57.4
339.28976	4.2
340.19891	1.4
340.25888	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	339.2904
Annotation	CHEBI:79194
Peak:m/z	Relative Intensity
59.01384	90.9
60.01693	1.6
61.98846	1.7
65.30870	1.6
66.31265	1.4
69.19436	4.1
69.19855	11.1
71.05001	2.1
73.44257	1.5
79.95735	1.5
93.11767	1.5
98.95595	1.5
109.96877	1.4
119.05029	3.9
163.11307	6.8
170.00479	1.7
183.01215	52.3
184.01814	3.5
259.76971	1.4
295.26505	11.0
295.29608	2.6
339.20001	100.0
339.24844	4.4
339.28998	64.6
339.32504	2.9
340.20258	12.0
340.29324	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	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81005	2.8
51.64425	2.9
53.41693	2.8
53.71391	3.2
57.03450	7.8
59.01378	10.3
61.13540	3.0
69.03466	3.6
69.55846	21.0
69.77913	3.5
71.05027	42.9
81.03450	18.1
83.05047	8.1
85.02978	6.2
85.42806	2.7
95.05047	20.5
97.06590	10.5
101.02442	4.8
108.02200	4.0
109.06610	5.5
110.03717	10.1
111.04536	15.5
121.06603	6.7
122.03684	4.1
123.04534	5.7
123.08192	18.5
125.06075	4.6
125.09740	52.1
126.10001	3.3
127.11344	4.6
133.06563	6.4
137.06119	6.6
139.07747	3.9
142.02710	3.2
149.06059	8.9
151.07681	30.4
167.07129	29.4
171.10278	24.7
174.06917	3.3
185.11801	3.5
187.09679	4.5
201.11339	5.0
205.12335	6.0
209.11862	11.7
213.11288	12.2
215.12889	100.0
216.13225	3.4
225.11240	6.1
249.11414	14.3
250.12234	3.1
259.17099	3.7
265.14438	12.8
277.18088	9.4
285.14932	39.7
286.15198	4.0
295.18826	3.9
303.12723	6.5
303.16037	83.3
304.16309	9.5
321.17114	53.3
322.17389	4.6
339.18091	32.8
339.21762	3.9
340.18491	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	339.2178
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.64482	0.6
53.53426	0.5
57.03428	1.5
59.01372	1.2
69.03445	1.0
69.38998	1.0
69.39408	3.5
71.05000	0.9
79.02185	0.6
85.06580	1.4
92.60679	0.5
96.25582	0.4
105.62756	0.5
142.66478	0.5
152.41235	0.5
183.01134	0.6
190.23988	0.5
221.19148	1.0
223.20667	2.6
235.20702	0.9
244.31522	0.5
249.22313	0.6
251.23758	3.6
257.21265	0.7
277.21808	4.0
279.23273	0.8
295.22806	100.0
296.23175	11.1
321.20712	5.5
321.24466	2.0
322.20911	0.6
339.21774	90.6
339.24976	3.5
340.22131	11.8
340.25815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30853	2.6
51.83609	2.5
55.01876	3.6
57.03449	6.4
59.01387	11.8
61.98819	3.1
65.57911	2.6
66.02151	2.5
69.03445	5.8
71.05030	48.6
101.56018	2.2
119.05006	4.0
209.19164	5.0
221.19206	2.6
237.22171	3.8
255.23308	10.6
275.23749	9.0
276.82065	2.4
291.23160	2.8
293.24875	100.0
294.25204	8.9
319.22845	16.0
337.20395	3.1
337.23853	84.3
337.27481	4.0
338.24179	9.5
339.12219	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	337.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93881	1.1
59.01378	4.6
65.72983	1.5
70.18942	4.7
71.05016	1.7
98.20585	1.3
99.00865	2.9
107.33366	1.3
108.08553	1.4
110.03757	4.9
119.05017	1.9
123.04549	1.8
142.02690	3.7
147.08131	8.0
149.09708	3.5
160.08858	1.8
161.09650	2.6
163.11296	6.6
170.71297	1.3
176.14731	1.4
187.11293	5.6
203.10645	1.5
229.49385	1.2
237.22173	4.7
255.23294	3.9
275.23718	5.9
279.13986	1.8
280.14609	2.2
293.24875	40.8
294.25214	3.4
298.93073	1.4
307.17151	2.6
309.21960	2.2
309.24924	1.5
319.22803	87.7
320.23172	9.3
337.14798	3.8
337.21371	47.2
337.23886	100.0
338.21841	6.5
338.24219	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	339.0724
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01376	2.6
65.00330	0.8
65.03976	1.1
65.33524	0.4
66.04669	0.5
67.01884	0.9
71.01396	0.8
73.02953	0.6
80.02699	0.7
91.01904	49.5
92.02236	1.5
95.05064	0.6
101.02448	0.4
108.02206	1.3
109.02956	14.3
110.03291	0.7
117.72289	0.4
121.02981	1.4
123.04520	1.0
125.06116	0.4
125.09769	0.6
133.02974	1.1
135.00897	100.0
136.01147	3.5
137.02437	3.4
137.06133	0.7
149.02431	1.2
153.01952	62.0
154.02293	1.9
161.02484	2.5
171.10345	0.4
177.01904	1.6
189.01881	1.2
191.05666	0.5
201.11220	0.5
213.11603	0.4
214.29730	0.4
214.83963	0.4
215.12994	0.4
230.07216	0.4
276.57181	0.5
279.05081	1.5
297.06012	0.8
303.16013	0.5
321.16971	0.4
325.14197	0.5
339.07227	27.9
339.18097	1.3
340.07602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2
Annotation	4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
Peak:m/z	Relative Intensity
51.81245	0.7
59.01384	5.6
69.78035	3.8
71.05021	1.1
72.99320	1.5
87.04517	3.5
96.96033	1.1
97.02967	1.0
98.20635	1.4
119.05029	2.1
129.58545	0.9
132.56927	0.8
136.81703	0.7
211.16995	1.3
216.53423	0.9
221.19093	0.9
223.20711	8.5
224.21051	1.0
228.96925	0.9
235.53012	0.9
241.15814	1.2
243.17297	3.0
254.85606	1.1
255.19675	4.6
256.19818	1.2
263.20020	1.5
269.21222	3.5
275.16403	1.9
275.20428	1.2
277.18027	1.5
289.17905	5.3
291.19443	60.6
292.19617	4.7
293.21240	2.6
319.18982	2.8
319.22488	1.0
337.20023	100.0
337.23724	7.0
338.20343	9.6
338.24057	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	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09013	12.0
59.01375	56.7
61.53114	14.0
69.53102	82.8
71.01382	15.7
82.82430	12.5
84.33121	13.4
93.03470	38.3
96.96030	18.2
119.05039	44.3
130.72853	13.5
135.04498	20.9
161.02472	22.0
163.04045	54.0
173.04576	100.0
191.05620	49.4
220.18158	12.8
307.05920	19.9
337.16702	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
56.90094	1.2
57.03445	1.7
58.00591	4.4
58.65045	1.2
59.01384	96.2
67.01891	5.4
69.03453	2.1
69.24310	11.6
71.01387	59.7
71.05036	1.2
72.99319	6.0
73.02951	4.2
81.03456	2.0
83.01376	4.0
83.05043	1.5
85.02950	17.5
87.00884	9.1
89.02452	53.3
93.03466	38.3
94.03800	1.7
95.01386	3.9
98.20694	2.0
99.00866	3.0
101.02459	35.2
102.02750	1.2
109.02892	1.4
111.00840	1.5
111.04548	6.6
113.02468	22.9
119.03538	23.3
119.05031	47.7
120.05371	1.8
122.06114	1.7
125.02588	1.3
127.03976	1.3
130.35591	1.5
131.03493	1.7
135.04504	2.7
136.05237	1.4
136.07646	3.1
137.02444	4.6
143.03505	1.9
145.02939	2.0
149.06026	2.5
155.03513	5.5
156.15186	1.1
157.08739	1.3
161.02490	1.6
161.04568	4.9
163.04022	84.5
164.04340	5.2
167.28818	1.1
173.04555	82.1
174.04948	2.8
179.05603	2.6
188.29803	1.3
191.03764	3.5
191.05617	60.1
192.06018	2.2
209.04562	4.3
211.07750	1.8
232.19904	1.1
237.04178	1.7
337.09357	11.0
337.15073	100.0
337.18475	4.4
337.59662	2.7
338.15424	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
56.90094	1.2
57.03445	1.7
58.00591	4.4
58.65045	1.2
59.01384	96.2
67.01891	5.4
69.03453	2.1
69.24310	11.6
71.01387	59.7
71.05036	1.2
72.99319	6.0
73.02951	4.2
81.03456	2.0
83.01376	4.0
83.05043	1.5
85.02950	17.5
87.00884	9.1
89.02452	53.3
93.03466	38.3
94.03800	1.7
95.01386	3.9
98.20694	2.0
99.00866	3.0
101.02459	35.2
102.02750	1.2
109.02892	1.4
111.00840	1.5
111.04548	6.6
113.02468	22.9
119.03538	23.3
119.05031	47.7
120.05371	1.8
122.06114	1.7
125.02588	1.3
127.03976	1.3
130.35591	1.5
131.03493	1.7
135.04504	2.7
136.05237	1.4
136.07646	3.1
137.02444	4.6
143.03505	1.9
145.02939	2.0
149.06026	2.5
155.03513	5.5
156.15186	1.1
157.08739	1.3
161.02490	1.6
161.04568	4.9
163.04022	84.5
164.04340	5.2
167.28818	1.1
173.04555	82.1
174.04948	2.8
179.05603	2.6
188.29803	1.3
191.03764	3.5
191.05617	60.1
192.06018	2.2
209.04562	4.3
211.07750	1.8
232.19904	1.1
237.04178	1.7
337.09357	11.0
337.15073	100.0
337.18475	4.4
337.59662	2.7
338.15424	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	59.5
71.01397	7.0
73.02946	1.9
78.95934	4.6
85.02966	2.5
87.00882	1.6
89.02457	3.6
93.03474	3.5
95.14709	0.8
96.96991	2.2
98.19871	2.1
101.02428	5.7
111.02020	14.2
111.04546	2.9
113.02484	2.7
115.04031	23.3
119.03593	2.0
119.05045	53.3
120.05363	2.0
127.04006	1.2
161.04562	2.8
163.04028	100.0
163.89171	0.9
164.04384	5.2
173.04544	3.8
191.05611	14.6
225.01767	1.1
228.95776	1.2
230.15439	1.2
238.88664	1.0
277.09341	17.5
278.09668	1.5
337.11469	1.4
337.15021	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	59.5
71.01397	7.0
73.02946	1.9
78.95934	4.6
85.02966	2.5
87.00882	1.6
89.02457	3.6
93.03474	3.5
95.14709	0.8
96.96991	2.2
98.19871	2.1
101.02428	5.7
111.02020	14.2
111.04546	2.9
113.02484	2.7
115.04031	23.3
119.03593	2.0
119.05045	53.3
120.05363	2.0
127.04006	1.2
161.04562	2.8
163.04028	100.0
163.89171	0.9
164.04384	5.2
173.04544	3.8
191.05611	14.6
225.01767	1.1
228.95776	1.2
230.15439	1.2
238.88664	1.0
277.09341	17.5
278.09668	1.5
337.11469	1.4
337.15021	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25280	0.5
57.03453	0.9
59.01385	1.7
62.63069	0.4
67.01899	4.2
69.03461	1.6
70.06650	0.8
70.07014	1.6
71.01402	3.3
71.17653	0.4
81.03458	1.0
82.17689	0.4
83.05031	1.1
85.02943	0.6
93.03468	28.3
93.17948	0.4
94.03838	0.7
96.37258	0.5
109.02970	1.0
111.00900	0.9
111.04533	5.7
113.02420	0.4
119.05043	13.6
120.05351	0.5
127.04013	0.8
137.02455	5.2
147.12782	0.5
155.03516	4.2
163.04024	18.9
164.04372	1.2
173.04565	100.0
174.04884	3.9
191.05637	2.9
337.09326	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	337.0933
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03434	0.2
59.01372	1.2
67.01878	0.7
69.03452	0.5
69.29185	2.2
71.01388	0.9
83.05025	0.4
85.02951	8.0
87.00879	1.9
93.03467	6.6
99.04549	0.4
105.75835	0.3
109.02956	1.0
111.04536	1.6
117.03448	0.3
119.05036	2.5
120.67393	0.2
127.04023	1.6
131.12076	0.2
137.02487	0.3
145.02928	0.8
163.04019	3.0
171.03006	0.6
173.04550	2.1
191.05623	100.0
192.05974	3.9
246.68971	0.3
337.09439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2206
Annotation	PGB1
Peak:m/z	Relative Intensity
66.14762	0.3
71.55476	0.4
123.00962	0.4
197.15298	0.4
239.20189	1.9
249.22314	0.4
251.16298	0.6
259.16849	0.4
265.21771	0.8
267.23291	19.1
268.23663	1.8
283.16779	0.5
285.18405	3.2
286.18408	0.6
287.19876	3.0
291.15750	1.1
291.23294	0.7
307.22610	2.1
317.17322	1.2
317.21082	1.3
319.18878	8.8
319.22424	0.6
320.19333	1.1
321.20511	1.1
335.22061	100.0
336.22409	9.7
349.19983	0.6
351.21567	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	336.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34061	0.6
50.48919	0.6
59.01377	3.7
59.56520	0.5
61.98835	0.7
65.87350	0.6
69.29720	4.5
71.17999	0.6
78.95920	1.4
85.39438	0.5
96.96017	6.4
98.20654	1.3
113.50049	0.6
119.52569	0.6
119.93749	1.0
134.96097	26.3
135.96161	2.3
136.94022	74.3
137.94093	4.1
138.96497	0.5
151.92728	6.1
152.91772	31.0
167.90466	2.8
172.68224	0.7
178.95076	100.0
179.95171	8.3
194.92833	50.4
194.95711	1.3
195.93277	0.7
196.01164	0.7
210.90874	1.8
212.93915	2.8
214.00574	0.6
225.90387	2.6
226.40483	1.0
226.90216	0.7
233.77745	0.6
238.87938	5.9
239.87862	1.1
247.84610	1.3
247.87175	26.6
248.37221	15.6
248.87059	12.1
250.94112	1.8
252.91707	3.3
254.85278	4.8
255.85901	1.7
256.36038	1.1
256.85358	1.2
256.87732	10.8
257.87817	1.8
274.88754	25.8
275.88904	4.3
287.85028	35.3
288.35065	24.0
288.84900	18.8
289.34857	1.4
292.95032	8.1
294.85349	0.8
294.92914	17.4
295.84018	3.3
295.93167	1.8
296.34000	1.7
296.83847	1.4
307.84106	0.7
316.84531	2.7
325.33694	0.7
336.83411	5.8
336.94006	80.3
337.83295	1.3
337.94180	8.6
354.84595	7.0
355.84668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.07463	0.6
52.85933	0.6
55.69728	0.5
70.01753	0.6
70.88211	1.6
83.05045	0.6
83.48601	0.6
85.02962	1.3
93.03478	3.7
111.04521	2.5
119.05036	53.8
120.05370	2.4
127.04034	0.7
155.03545	2.0
163.04022	100.0
164.04355	4.1
173.04559	4.0
176.53232	0.5
191.05624	14.7
337.09283	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	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03438	1.2
59.01375	2.0
60.99298	2.1
67.01900	5.6
69.03452	1.5
69.49648	3.5
69.50063	1.5
71.01383	3.1
73.02956	0.7
81.03455	1.7
83.05037	1.5
85.02956	6.6
87.00880	5.5
93.03468	34.8
94.03857	1.1
96.82609	0.7
109.02933	1.2
111.04540	5.8
113.02513	1.0
119.05042	18.9
127.03986	1.8
129.01967	1.4
137.02448	2.3
145.02911	1.4
155.03491	2.7
163.04021	16.3
164.04327	0.7
173.04568	61.4
174.04895	2.1
191.05637	100.0
192.06010	3.6
337.09299	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03433	1.7
58.00596	3.9
59.01385	88.2
71.01385	46.3
71.10480	1.4
72.99300	3.3
73.02964	1.5
78.95909	1.1
83.01403	2.5
85.02957	10.7
87.00880	1.4
89.02450	48.9
95.01392	3.4
99.00869	0.9
101.02451	34.4
111.08193	1.6
113.02452	18.0
119.03508	23.0
122.60244	0.8
127.07751	0.8
131.03540	2.0
138.01981	1.4
143.03499	2.5
151.06401	0.9
151.76926	0.9
155.07162	5.1
161.04538	1.9
173.08195	2.5
179.05602	2.4
185.67177	0.8
227.59381	0.9
308.97031	0.9
325.57217	1.0
335.13495	100.0
336.13809	7.4
345.40286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.9
57.03450	21.5
58.39932	1.7
59.01382	35.0
70.31328	7.5
71.01388	88.0
71.05030	9.7
73.02954	36.9
78.95898	2.3
83.01389	11.4
83.05026	7.6
85.02959	44.1
85.06596	6.6
87.00877	3.2
89.02443	12.0
95.01396	8.1
98.20655	2.1
99.00880	10.1
99.08174	4.4
101.02455	49.7
102.02737	2.6
113.02456	35.4
115.07667	4.1
117.57600	2.0
119.03531	5.5
127.11317	20.2
143.10779	14.9
153.09200	5.2
159.03017	4.5
161.04568	11.8
169.12358	2.8
171.10277	100.0
172.10643	1.9
229.18132	16.2
331.24826	10.7
333.15619	11.9
333.26480	89.2
334.26862	6.3
358.34940	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	334.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01392	3.6
60.99323	1.2
63.94995	0.5
65.26868	0.6
67.01901	5.9
69.03452	2.1
71.01395	5.0
71.56820	0.9
73.45648	0.6
81.03468	1.1
83.05042	0.9
85.02953	1.3
86.13490	0.6
87.00893	2.9
93.03467	35.6
94.03811	1.0
97.09412	0.5
99.00874	0.8
109.02928	0.7
111.00900	0.7
111.04520	6.0
116.05075	28.5
117.05435	0.9
122.06179	0.8
124.04035	0.9
132.04532	0.6
135.04465	0.7
136.07689	2.3
137.02486	3.4
154.05119	1.7
155.03522	3.5
160.04053	21.1
161.02458	1.3
161.04395	0.8
173.04559	100.0
174.04915	4.1
178.68932	0.6
225.82098	0.6
227.61018	0.6
243.11504	0.8
273.12375	0.7
290.12323	2.5
334.09171	4.0
334.19504	1.5
335.07919	1.4
335.12503	2.2
335.20743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80087	3.2
55.01870	9.3
59.01385	52.0
67.01888	6.9
69.96558	15.8
71.01385	57.8
71.01765	2.7
72.99319	6.9
73.02975	4.5
79.45719	3.7
83.00922	7.4
83.01392	100.0
85.02961	8.8
87.00877	3.8
89.02437	33.8
95.01363	5.2
99.00895	26.1
101.02438	31.4
111.00905	19.3
113.02457	14.2
119.03496	13.7
124.98809	10.0
126.99498	6.9
127.00390	97.5
129.01985	20.5
142.99884	8.9
155.07095	5.3
171.53450	3.5
206.61165	3.7
273.12509	4.2
291.98822	3.4
335.13510	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54855	2.4
76.82439	0.4
78.03497	1.1
87.50845	0.4
92.05072	2.4
94.06631	5.2
103.04292	0.8
104.05078	2.9
105.03485	2.1
106.06635	14.8
107.03781	1.0
108.04568	1.8
120.04571	6.7
121.05334	2.0
122.02509	0.7
122.06128	13.9
123.03254	2.1
124.07677	0.7
124.28799	0.4
124.65541	0.4
132.04567	9.0
135.03246	1.0
138.05623	24.1
139.05966	0.5
142.09804	0.5
148.04036	1.1
150.05586	3.2
166.05148	0.5
174.12885	0.6
188.07147	0.9
189.07954	1.3
202.12480	0.6
213.06575	0.6
215.11893	1.3
217.07454	1.4
226.05482	0.6
226.07541	0.5
226.28209	0.4
228.09085	0.7
229.09731	0.6
231.09024	0.8
231.11366	1.1
241.09857	2.8
243.11395	2.3
256.08670	0.5
259.11130	0.6
271.10934	1.0
289.11957	100.0
290.12289	8.2
333.10950	8.9
333.14798	0.9
334.11243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70199	0.6
55.01873	1.6
57.03448	1.2
59.01106	0.9
59.01381	10.1
65.71133	0.7
70.03540	2.9
70.75768	0.6
71.01386	9.9
72.99302	1.0
73.02958	3.7
78.03471	0.9
78.95921	0.8
80.05055	0.6
83.01392	3.1
84.01435	0.6
85.02955	6.5
89.02438	1.2
92.05068	1.9
94.06634	5.1
99.00891	2.1
101.02435	9.8
104.05055	3.5
105.03451	1.6
106.06631	13.9
107.03780	0.8
108.04524	1.4
113.02451	3.5
120.04586	6.2
121.05356	1.9
122.02481	1.4
122.06133	15.6
123.03260	2.8
123.06460	0.9
125.02470	0.7
132.04561	7.5
133.04912	0.7
136.04108	0.9
138.05620	24.1
148.04045	0.9
150.05611	2.8
160.32713	0.6
161.04575	2.3
166.05069	0.7
173.08331	0.7
174.12881	1.1
189.07993	1.6
213.06749	1.0
215.11887	1.6
217.07422	1.7
225.10199	0.8
229.09787	1.1
231.09114	0.7
241.09799	3.1
243.11327	1.7
271.10980	1.5
271.19159	0.8
273.16983	1.2
289.11960	100.0
290.12387	8.8
333.10956	11.1
333.15549	22.2
333.19241	4.1
334.11481	0.6
334.15726	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	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03452	1.0
58.00598	0.5
59.01387	8.4
69.03463	0.8
69.20393	0.5
69.54794	3.7
71.01392	9.0
72.99303	0.6
73.02966	4.6
78.03484	1.0
80.05042	0.5
83.01398	2.6
84.11662	0.4
85.02952	5.3
88.46380	0.5
89.02458	1.1
92.05081	2.1
94.06628	3.9
95.01374	1.6
99.00892	1.9
101.02457	10.3
103.04326	0.6
104.05087	3.5
105.03455	2.6
106.06641	11.9
108.04575	1.4
111.00874	0.7
113.02478	3.7
120.04588	5.0
121.05363	1.5
122.02508	0.5
122.06139	15.5
123.03265	2.0
123.04520	0.5
131.03770	1.0
132.04585	6.6
135.03297	0.6
136.04066	0.7
138.05627	24.1
139.05960	0.6
148.04028	0.9
150.05614	2.3
152.99614	0.6
158.61032	0.6
159.03061	0.8
161.04570	1.9
162.05017	0.6
166.05096	0.8
171.10303	0.5
174.12941	0.8
184.11279	0.5
188.07196	0.8
189.07979	1.6
197.07185	0.7
213.06581	0.6
215.11911	1.6
217.07439	3.0
228.08990	1.1
231.08948	0.7
241.09772	2.8
243.11339	2.9
254.25400	0.6
271.11111	0.9
273.17087	0.7
275.10327	0.5
289.11969	100.0
290.12311	7.9
326.89008	0.5
333.06586	0.7
333.10980	8.7
333.15570	19.9
333.19186	3.1
334.11469	0.6
334.15976	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
62.96414	0.4
71.54012	0.1
78.95909	100.0
87.00847	0.1
96.96967	19.9
98.95651	0.1
101.47267	0.1
103.48682	0.1
108.45452	0.1
150.98035	1.3
152.99594	79.2
153.99934	1.1
165.68883	0.1
171.00647	9.0
172.01053	0.1
191.05547	0.2
214.88402	0.1
223.00107	1.0
241.01193	39.6
242.01501	1.0
259.02228	2.3
272.83661	0.2
310.72803	0.1
333.05920	92.1
334.06253	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	333.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
62.24158	0.5
63.66621	0.5
69.56796	1.2
69.57211	2.9
71.01387	1.7
72.66032	0.7
74.43639	0.6
78.95911	100.0
85.02959	0.8
93.03476	1.3
94.49319	0.7
96.96967	21.1
97.06597	0.6
115.00378	1.1
121.30095	0.6
126.24429	0.7
127.04047	0.6
150.97969	0.7
152.99600	74.9
153.99934	1.4
154.47859	0.6
158.20418	0.5
159.01062	1.9
159.06682	1.8
171.00638	8.8
173.04553	1.1
191.05820	0.8
217.05261	3.2
223.00160	0.9
241.01212	40.3
242.01454	1.3
259.02167	2.5
272.23706	0.7
333.05969	97.8
334.06104	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2493
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
50.22210	0.2
58.00599	0.6
59.01376	0.3
69.25169	1.8
72.47888	0.2
80.51157	0.2
86.88538	0.2
93.03439	0.3
97.06625	0.2
98.19844	0.4
125.09753	1.4
127.11304	6.6
128.11598	0.2
135.04536	0.6
137.09732	0.4
139.11316	0.5
141.12883	0.2
143.10825	1.1
155.10799	1.8
157.12352	4.4
161.02475	0.4
161.95303	0.2
165.09200	0.2
171.10278	2.5
173.04597	0.5
179.03534	0.3
185.11823	0.4
187.13416	0.9
192.11632	0.2
201.11353	1.5
214.81567	0.2
255.23318	0.3
293.33163	0.2
295.22815	1.7
299.22342	0.2
311.22272	0.7
313.23880	7.5
314.24255	0.8
329.23376	5.1
330.23752	0.4
331.24921	100.0
332.16183	0.4
332.25256	10.8
335.07614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.6
57.03461	6.0
58.00596	2.2
59.01387	36.6
63.02428	1.5
64.07221	0.8
69.03446	1.8
69.20601	1.8
69.21002	6.7
71.01389	100.0
71.05013	1.1
72.01714	1.2
72.99314	3.0
73.02955	36.5
75.00893	2.4
81.03420	1.1
83.01398	15.3
85.02961	47.7
87.00908	4.1
89.02447	6.1
95.01397	8.6
97.02938	2.8
99.00887	14.1
101.02454	71.2
102.02811	1.8
107.01382	1.0
108.02211	1.2
113.02459	46.5
114.02799	1.4
119.03502	1.1
124.01695	1.7
125.02479	2.1
129.01970	2.7
139.04031	1.9
143.03523	5.1
147.99725	0.9
151.00349	2.7
159.03018	9.9
161.04570	57.3
162.04913	1.8
188.78090	0.8
205.03551	1.1
241.27490	0.9
286.24051	1.1
303.05136	1.3
303.08636	1.1
331.08453	4.2
331.17642	18.9
331.24374	0.9
332.17914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03460	3.1
58.00594	4.7
59.01384	100.0
69.03498	0.9
71.01386	80.5
71.05031	0.9
71.57555	1.2
72.01737	1.0
72.99313	6.3
73.02943	4.3
75.00887	0.6
83.01401	4.9
85.02959	20.0
87.00902	3.4
89.02451	76.1
90.02797	0.9
95.01407	4.9
99.00914	2.1
100.63717	0.8
101.02451	40.4
102.02824	0.8
108.02232	1.0
108.13699	0.6
113.02456	28.7
119.03513	28.4
124.01677	10.0
125.50970	0.6
131.03563	2.7
139.04028	21.0
139.49126	0.7
143.03516	3.8
144.26326	0.7
149.04597	2.0
151.00436	3.4
152.01251	1.0
152.41260	0.7
159.03105	2.0
161.04582	6.4
165.01933	1.6
178.99794	1.0
179.05670	2.9
191.05861	0.8
193.01448	1.8
269.13040	1.5
271.02689	1.7
299.01953	1.3
300.02985	1.1
303.05301	1.9
303.08911	5.3
331.08231	5.2
331.13959	1.3
331.17569	6.4
331.24994	0.8
348.42178	0.8
351.66519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
68.01388	1.7
70.02980	5.7
71.01404	9.6
71.56030	2.7
78.95874	1.8
84.00918	100.0
85.02974	4.0
86.02477	3.5
89.02444	2.0
93.03484	2.0
96.00912	2.7
96.96013	3.2
98.06113	8.6
101.02448	4.6
108.02199	4.0
109.02969	2.5
110.00112	4.5
113.02454	3.8
113.06099	6.2
114.01997	14.6
119.03515	2.0
123.04517	5.2
124.01709	3.3
125.02489	5.1
126.02010	10.2
126.02802	1.9
126.05607	18.8
137.02452	1.8
137.99612	9.4
139.00394	3.0
139.03970	3.1
139.08797	5.1
148.29733	1.8
151.05115	2.5
153.01956	68.8
154.02718	2.7
155.03497	2.0
157.05066	5.4
157.08672	2.2
161.04550	3.0
165.06735	4.7
167.03516	11.4
168.04300	42.3
168.06589	3.1
169.01537	2.1
169.04961	5.8
169.06239	31.6
173.04575	4.6
183.07814	6.1
191.05617	4.0
193.06229	5.8
204.05154	4.1
211.07271	50.4
292.77429	1.8
312.84357	3.3
331.11151	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	331.0826
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
51.03694	0.8
57.03432	0.7
59.01377	1.6
63.02403	9.6
65.00330	13.8
69.64270	0.7
71.01373	1.1
71.05003	0.8
73.02937	0.9
75.00880	0.7
79.25705	0.6
80.02665	2.9
82.94012	0.6
83.01392	9.2
83.05004	0.8
95.01396	0.7
98.19864	1.9
107.01401	23.0
108.01581	0.9
108.02201	11.5
111.08163	1.7
121.02990	1.4
123.00897	2.5
124.01682	1.5
125.02460	1.2
125.09742	0.7
136.01666	10.1
138.03279	3.2
139.04013	1.2
149.02454	15.6
150.03207	0.7
151.00381	53.0
151.03961	1.4
152.00693	1.6
153.05565	2.3
164.01161	14.8
164.04813	28.7
164.89633	0.6
165.01942	3.1
165.05267	1.1
169.01436	3.4
177.01945	6.0
179.07153	16.8
180.07477	0.9
187.04160	0.8
188.09155	0.6
196.00134	11.7
205.04919	0.6
207.17444	0.7
215.03442	2.3
225.18620	1.7
227.03326	0.8
229.05112	1.0
229.80177	0.7
231.02922	1.5
251.16483	1.4
255.03120	1.3
257.04581	1.1
269.17691	1.2
294.64853	0.8
300.02783	0.7
301.03568	1.6
313.16513	3.0
316.05859	5.0
331.08246	100.0
331.17053	3.3
331.21289	3.0
331.24960	4.4
332.08633	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	331.0827
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
55.01880	0.4
57.03451	1.2
59.01386	2.3
63.02406	1.5
65.00327	3.0
69.23634	1.0
69.24059	2.2
71.01386	4.0
73.02954	1.8
75.93224	0.3
83.01389	2.0
85.02945	1.7
89.00345	0.5
89.02479	0.6
95.01409	1.2
96.02203	0.7
97.02975	2.3
99.00899	0.8
99.04533	0.3
101.02452	2.7
107.01382	1.8
108.02179	1.9
109.02995	0.4
110.37225	0.3
110.37990	0.3
111.00893	1.3
113.02469	1.8
121.02966	1.1
122.03754	0.6
123.00879	0.4
123.04568	0.8
124.01673	51.6
125.01929	0.6
125.02526	0.7
136.01683	1.6
137.02454	2.0
138.03188	0.4
139.00397	1.5
139.04024	100.0
140.04330	3.1
148.01666	1.3
149.02412	0.7
149.99675	0.6
150.03233	1.2
151.00385	8.6
151.04007	1.4
152.01170	5.7
153.01878	0.4
153.05566	1.2
161.04556	1.5
163.00406	0.6
163.04037	1.9
165.01933	9.3
166.02696	0.9
167.03503	1.4
178.99878	6.4
180.00160	0.4
193.01425	6.4
194.01970	0.5
195.03009	0.6
206.99303	1.8
208.00111	1.9
211.04030	0.5
213.05565	0.3
215.03543	0.4
216.04402	0.7
227.03484	1.1
229.04976	0.6
255.03076	1.9
255.06587	0.7
256.03726	0.6
257.04562	1.4
259.02472	2.0
259.06122	0.7
260.03088	0.8
271.06192	0.7
272.06851	2.1
273.03812	0.4
275.05652	3.8
283.02567	1.4
287.05832	0.6
287.09192	4.3
288.06290	1.4
298.04681	0.6
299.05530	1.7
303.05142	6.5
303.08734	28.1
304.05725	0.6
304.09055	2.5
313.03513	0.7
331.04700	1.4
331.08228	20.9
331.17090	0.6
332.08578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0827
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
54.60259	0.3
57.71383	0.4
59.01390	2.0
63.02415	0.9
65.00331	1.7
67.01922	0.9
69.03458	0.5
69.30378	0.6
69.30785	2.7
71.01387	1.5
82.28925	0.4
83.01398	0.4
89.00365	0.4
89.02459	0.5
93.03466	4.4
95.01375	0.4
96.02209	0.4
97.02958	1.5
101.02445	0.5
107.01365	0.6
108.02146	0.4
109.02967	0.6
111.00891	1.0
111.04548	0.6
113.02467	0.5
121.02953	0.8
122.03768	0.7
124.01672	54.3
125.02026	1.5
137.02487	2.0
139.04024	100.0
140.04353	3.2
147.04526	0.4
148.01636	0.7
149.02414	0.7
151.00398	3.9
152.01164	1.5
153.05598	1.2
155.03506	0.5
157.08673	1.9
163.04033	1.6
165.01930	8.2
166.02567	0.5
167.03481	0.8
173.04558	15.2
174.04889	0.5
178.99866	5.0
185.06056	0.5
193.01439	5.6
194.01964	0.5
195.03188	0.6
225.10391	0.5
227.03671	0.6
229.05031	0.4
242.98087	0.4
244.07407	0.4
256.03799	0.7
257.04501	2.0
269.09341	0.5
271.06079	0.4
272.06897	2.2
273.04172	0.8
276.84299	0.4
284.03253	0.6
287.09274	4.7
288.06360	1.4
299.05441	1.8
303.08749	32.2
304.09067	2.4
331.08243	25.9
331.14035	1.7
331.17300	0.5
332.08582	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	331.0825
Annotation	6-Hydroxy-1,2,3,7-tetramethoxyxanthone
Peak:m/z	Relative Intensity
55.87611	0.3
57.03450	2.6
57.03702	0.4
59.01389	0.6
63.02404	3.9
65.00337	2.5
67.65272	0.3
69.03438	0.4
71.01362	0.4
71.55608	0.4
72.61672	0.3
75.00876	1.1
81.03548	0.3
83.01393	3.3
85.02962	1.1
85.08690	0.3
95.01399	11.7
102.63622	0.3
107.01392	3.1
108.02196	0.7
111.00903	2.5
113.02419	0.4
117.93240	0.4
121.02964	0.6
121.23193	0.4
123.00902	5.5
124.01674	14.0
125.02464	12.7
125.09697	0.4
135.00911	0.6
135.04541	1.1
137.02422	0.6
139.00354	2.8
139.04015	1.7
140.01137	0.8
149.02440	1.9
151.00377	8.4
152.01158	16.4
153.01883	1.3
157.15465	0.3
161.02408	0.5
163.03995	2.3
165.01921	1.7
169.01443	0.6
177.05516	0.4
178.99860	8.5
183.04514	0.9
187.04022	1.0
191.03513	2.1
201.05550	0.6
202.06429	0.5
204.09180	0.4
206.05818	1.9
207.06036	0.3
211.03914	0.8
213.05524	0.4
215.03525	0.7
225.05391	0.4
227.03514	1.4
229.04947	0.7
230.05862	0.5
241.05157	0.4
242.05901	0.6
244.07462	0.4
245.04514	0.5
245.08246	0.4
255.02968	1.5
257.08173	0.9
269.04602	1.0
270.05383	0.6
273.04138	2.0
275.08969	0.4
283.02542	1.2
284.67590	0.4
285.07733	0.8
287.05652	2.6
297.03998	0.5
298.04761	1.0
301.03595	3.2
303.08801	0.9
313.07190	5.3
315.05130	4.0
316.05887	2.2
331.08237	100.0
331.18289	7.1
331.68536	1.9
332.08557	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	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
59.01376	0.5
70.05630	1.2
74.08974	0.3
81.36980	0.3
112.85426	0.3
148.00496	0.3
194.70186	0.3
195.77557	0.3
213.58600	0.3
234.07544	0.3
237.22214	0.6
239.23888	1.4
249.22250	4.8
265.21860	1.5
267.23318	22.3
268.23691	2.4
283.22800	36.0
284.23190	2.2
293.21323	0.5
311.22372	2.7
329.23337	100.0
330.23676	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	329.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
71.55286	1.1
71.55691	1.1
72.99326	1.1
75.00882	100.0
76.01192	0.8
82.04765	0.8
83.05055	0.8
85.91163	1.0
89.61241	1.0
96.96033	1.5
127.11310	1.3
161.21457	0.8
166.73140	1.0
225.22206	1.5
267.23328	1.6
271.22803	44.8
272.23169	4.6
311.25867	2.2
327.25662	1.3
329.23288	14.7
329.26996	19.6
330.23712	1.4
330.27423	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	331.0461
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
55.83161	1.1
57.03446	3.4
59.01389	2.7
63.02401	8.3
65.00333	15.7
69.80103	2.2
69.80496	3.7
71.01392	6.2
73.02968	1.7
76.48104	1.1
83.01402	14.5
85.02942	3.1
91.01864	1.8
95.01374	6.2
98.20024	1.9
101.02467	3.7
107.01418	19.8
108.02192	24.2
109.02985	2.1
111.00883	3.4
113.02467	3.0
123.00916	3.1
123.04559	13.0
124.01673	28.6
125.02525	6.7
125.03226	1.3
131.02368	1.2
135.00899	3.7
136.01726	1.6
139.00415	2.1
139.04036	31.5
150.03233	3.2
151.00388	56.7
151.04031	2.0
152.01175	51.1
153.01852	5.0
161.02481	2.1
163.00372	10.5
163.18626	1.4
164.01128	4.4
165.01921	2.2
165.05669	1.9
167.03534	2.5
172.41605	1.3
174.03096	1.4
175.03951	2.0
176.01112	1.3
176.04839	1.3
178.99878	30.7
189.01897	1.4
191.03563	2.3
193.01407	2.0
199.04044	2.5
200.04820	1.3
202.02728	2.3
204.04311	2.2
206.99358	27.7
208.00156	27.5
215.03404	3.2
216.04288	3.1
217.05119	1.8
221.04604	2.2
230.02147	1.7
242.02150	1.6
243.02985	4.4
244.03650	3.3
245.04434	3.2
255.02876	1.6
259.02475	26.3
259.06128	3.8
260.03204	16.1
269.13144	1.7
271.02502	3.1
272.03186	4.2
275.05627	53.6
276.05835	4.5
285.04147	1.6
287.05588	11.5
287.09219	3.7
303.05164	100.0
303.08679	9.7
304.05499	9.5
304.08627	2.3
313.03510	3.5
331.04541	28.7
331.08267	6.4
331.17746	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	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01368	0.6
83.01400	1.7
97.06593	0.6
125.09712	2.3
127.11304	5.1
130.45291	0.4
143.10706	0.7
144.32918	0.5
152.02461	0.5
153.09276	0.6
155.10818	1.0
157.12315	1.8
171.10274	13.9
172.10620	1.2
196.36905	0.4
227.16495	2.1
249.18605	1.8
267.19662	0.9
275.16568	0.6
283.22696	0.9
283.59143	0.4
285.20450	0.6
293.17563	1.7
293.20901	0.9
311.18546	1.5
311.22293	2.9
327.21826	2.1
329.19818	7.2
329.23325	100.0
330.20132	0.6
330.23651	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	329.2337
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
59.01387	40.4
69.89072	2.9
74.02432	0.7
75.00880	26.6
75.89178	0.6
82.97697	0.6
100.78060	0.7
125.09750	0.8
141.46808	0.6
147.76852	0.6
149.35670	0.6
161.58437	0.6
198.20927	0.6
199.59904	0.6
209.19113	7.6
223.20866	0.7
225.22209	0.8
229.82460	0.6
249.22255	6.6
251.20180	1.3
253.18126	7.0
259.75974	0.6
267.23312	34.3
268.23737	3.1
269.21237	81.9
270.21652	6.9
271.19162	17.8
271.21722	0.4
272.19467	1.0
311.22330	14.5
312.22543	1.4
329.19849	6.7
329.23340	100.0
330.20059	1.3
330.23663	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	329.197
Annotation	oscr#17
Peak:m/z	Relative Intensity
57.03457	3.5
59.01378	0.9
59.17698	0.7
65.14933	0.6
68.28226	0.7
68.64291	0.7
70.41784	2.3
83.05035	7.5
97.06610	1.0
98.00082	1.3
103.30202	0.7
109.06596	2.3
111.08172	42.6
112.08513	1.8
114.17834	0.8
125.09712	6.1
127.11274	1.0
129.09244	1.5
155.10822	1.2
157.62437	0.7
159.10304	1.2
173.08209	8.3
173.11833	16.3
174.12135	0.9
175.87973	0.7
187.09758	1.3
221.19116	1.1
223.20670	23.1
224.21039	1.2
239.20107	4.3
249.22353	1.2
267.19666	39.3
268.20081	4.0
285.20795	7.9
293.21191	0.9
301.20386	0.7
311.18671	49.2
312.19070	4.5
329.19717	100.0
329.23114	5.0
330.20059	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	329.1971
Annotation	oscr#17
Peak:m/z	Relative Intensity
51.82985	0.7
52.64871	0.8
59.01388	10.0
71.01391	1.6
71.54250	0.9
88.51876	0.7
95.17953	1.0
103.74263	0.8
144.57626	0.8
165.40149	0.9
171.10301	1.8
195.17583	2.7
201.11264	1.0
208.97797	0.7
210.78996	0.8
211.13416	1.1
216.21060	0.8
217.42581	0.8
223.20692	22.7
224.20897	1.3
225.18687	2.7
239.16580	2.1
241.22005	0.9
267.19666	54.8
268.19989	4.6
277.57407	0.8
285.20770	13.6
285.23648	1.4
286.21246	1.6
287.22110	1.3
311.18744	15.2
311.22198	1.7
312.18936	1.6
329.19803	100.0
329.23441	16.5
330.20163	7.7
330.23776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16561	0.2
54.48293	0.3
57.03452	0.9
59.01405	0.3
69.03471	0.5
69.23958	2.3
71.05041	0.3
83.05032	0.6
85.02954	0.4
93.63466	0.2
97.06595	0.6
97.31755	0.2
99.08166	5.2
99.82783	0.3
100.08523	0.3
102.58042	0.3
121.12643	0.3
125.09731	1.5
126.41196	0.3
127.11307	3.3
129.09265	0.6
139.11311	1.2
155.10800	0.6
155.14447	1.0
165.12872	0.9
167.10760	0.5
167.14465	1.6
171.10283	4.7
175.11314	0.4
183.13902	6.5
193.12357	2.0
199.13432	1.0
209.11896	1.5
211.13408	35.1
212.13705	1.8
229.14461	18.8
230.14815	1.1
293.21249	1.0
311.22318	0.7
329.23349	100.0
330.23697	10.0
330.27689	0.5
340.39069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01378	3.3
62.07487	0.6
65.13781	0.6
65.94230	0.5
71.01383	1.4
93.03459	1.8
94.59605	0.6
109.02971	1.5
110.51794	0.7
121.02966	27.6
122.03315	0.8
124.47318	0.6
135.04549	2.9
147.04521	8.9
159.04530	3.8
169.71410	0.6
185.11827	1.9
192.07906	1.8
196.05214	1.4
204.94414	0.6
210.06931	1.2
211.04022	1.9
212.04782	4.7
213.05376	0.7
213.09131	0.7
223.07613	1.9
225.05585	1.5
226.06339	2.1
227.10837	1.0
229.09300	0.7
237.05521	1.1
238.06326	0.7
240.04350	5.7
240.07898	1.0
241.08804	3.9
243.10175	1.7
250.06291	0.9
251.07140	2.3
253.04984	0.9
253.08635	2.4
254.05832	7.0
255.06409	1.2
255.10257	1.8
267.06668	1.4
268.07452	1.7
269.08212	70.9
269.64871	0.6
270.08667	5.7
271.09796	8.4
272.10147	1.1
281.08218	11.4
282.08856	1.4
283.09842	3.7
286.04794	1.7
298.08414	0.8
299.09265	53.4
300.09650	4.7
313.10800	1.6
314.11618	65.2
315.11960	5.8
329.13943	100.0
330.14322	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	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.52145	0.7
56.73873	0.5
66.83658	0.5
69.97673	2.4
71.01384	1.0
77.50343	0.5
85.02952	0.7
93.05389	0.5
96.84416	0.5
98.16366	0.5
108.02180	60.2
109.02519	1.4
123.00904	0.5
123.04530	26.0
123.92754	0.5
124.04836	0.9
152.01161	40.5
153.01486	1.4
167.03502	100.0
168.03841	4.3
232.00842	0.5
250.67456	0.6
329.08707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.03464	1.4
57.77311	0.8
59.01392	6.3
65.64993	0.9
69.03476	1.0
71.01385	12.8
71.54993	1.6
73.02965	3.8
78.95911	1.7
79.05514	3.9
81.03454	1.9
85.02958	4.9
87.00932	0.8
89.02474	4.0
90.79420	0.9
93.03461	2.1
95.01395	1.1
96.96945	1.2
98.04168	0.7
99.00881	1.8
99.04515	1.0
101.02461	8.4
108.02180	8.4
109.02956	1.6
111.04524	2.5
113.02484	6.0
119.03493	1.2
121.02934	2.6
121.89969	0.7
122.03751	100.0
123.04549	54.5
124.04872	1.8
126.85645	0.7
134.04755	1.3
135.04387	1.9
137.02455	2.5
137.06099	1.6
143.03566	0.8
147.04517	1.5
149.02470	8.1
149.04483	0.8
152.01146	4.9
155.03488	1.3
159.02975	1.7
161.04608	10.1
165.05586	5.2
165.26909	0.8
167.03502	18.6
173.04549	2.5
174.03297	0.9
177.05605	2.1
181.05090	0.9
182.10799	0.7
189.05486	0.9
191.05602	2.2
200.76633	1.0
281.97946	0.8
285.09732	1.1
329.08841	29.5
330.09122	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	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73514	0.6
59.01385	44.8
61.98843	0.6
65.14337	0.6
66.46136	0.5
75.28561	0.7
82.95453	0.7
86.51883	0.5
87.00858	0.6
98.20681	1.6
110.55859	0.8
114.98866	0.7
115.02526	2.0
117.00445	6.2
125.00903	0.8
126.37260	0.6
126.98878	1.5
138.08548	0.7
138.97598	0.6
143.02020	3.3
159.01517	69.5
160.01631	4.2
168.99973	3.0
170.97867	7.4
171.97914	0.7
186.88461	0.7
187.01006	100.0
188.00612	9.4
201.02571	15.2
241.00635	0.9
270.65491	0.8
274.99353	3.4
276.79370	0.8
287.01126	0.8
299.75720	0.7
305.42822	0.6
311.01227	1.1
328.96860	1.6
329.02264	2.9
330.02335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78882	0.3
55.01862	0.3
56.90464	0.3
59.01382	1.4
63.33649	0.4
66.42019	0.3
69.95300	1.0
69.95705	0.6
71.01392	8.1
73.02964	3.0
82.17553	0.3
83.01390	0.6
85.02962	3.2
87.00874	0.4
89.02451	0.9
95.01360	0.4
95.59576	0.3
99.00900	0.9
99.04522	0.6
101.02443	5.3
107.05015	0.3
108.02193	2.2
109.02991	1.9
113.02471	4.3
121.02985	2.3
121.06617	0.4
122.03753	100.0
123.04590	14.0
124.04846	0.4
125.02451	0.4
134.04721	1.0
135.04399	0.7
136.05327	0.6
137.02428	1.1
137.06113	1.6
141.82349	0.4
143.03511	0.8
147.04506	1.0
149.06068	0.5
159.03017	1.5
161.04572	9.6
161.05899	0.5
162.04846	0.4
165.05582	5.9
167.03500	1.0
174.90019	0.3
177.05574	2.0
187.33911	0.4
285.09814	2.0
329.08878	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	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
57.03447	4.0
59.01367	2.0
60.09712	1.0
66.36440	0.9
69.03460	1.7
71.01388	1.1
71.55515	1.0
72.99314	6.1
73.02930	1.9
75.00873	1.2
77.71291	0.9
88.64354	1.0
96.75005	1.0
113.95448	1.1
122.70675	1.2
171.10323	1.3
214.43382	1.0
218.04405	1.0
226.49455	0.8
237.22253	1.2
253.25337	4.0
258.66992	1.0
265.21713	2.8
269.21182	1.1
279.23190	1.2
281.24854	33.2
282.25162	2.8
283.22787	8.8
309.20709	1.5
327.21823	9.1
327.25372	100.0
328.25775	9.0
336.27319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.12735	0.3
59.01386	100.0
60.01734	1.0
60.99305	0.4
71.35628	0.6
125.32839	0.4
167.80441	0.4
185.00783	0.5
327.18500	1.4
327.29062	66.8
328.29446	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	328.0455
Annotation	cAMP
Peak:m/z	Relative Intensity
58.83628	0.1
59.01383	0.2
63.86834	0.1
65.03905	0.1
69.71172	0.4
69.71583	0.4
71.01392	0.4
74.33116	0.2
76.14960	0.1
76.89622	0.1
78.95911	0.4
79.97926	0.1
80.68423	0.1
85.02982	0.2
92.02536	1.1
98.20671	0.1
101.02449	0.3
107.03647	4.5
119.90588	0.1
122.03753	2.3
123.04542	1.2
134.04736	100.0
135.05205	1.8
149.02483	0.2
161.04613	0.2
165.05624	0.2
167.03621	0.3
262.16592	0.1
262.95087	0.2
328.04520	2.1
328.08255	0.2
328.09857	0.1
329.05029	0.2
329.08932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	491-14-5
Peak:m/z	Relative Intensity
57.03452	0.9
59.01371	1.3
69.03461	0.6
72.99323	0.5
83.05054	0.9
88.62630	0.5
98.20609	0.9
98.48244	0.4
105.77921	0.5
112.69425	0.4
124.64060	0.5
163.90714	0.5
223.20651	1.2
237.22221	0.7
239.23911	1.1
253.21779	0.7
265.21744	2.8
269.21393	0.7
274.84305	0.7
281.24881	0.7
283.22806	100.0
283.56796	0.5
284.23120	8.0
284.26169	0.9
299.22235	3.3
327.21732	8.4
327.25461	7.8
328.22256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2544
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.28369	0.3
57.03442	0.6
71.03596	0.4
74.82764	0.3
113.49252	0.3
122.96215	0.3
159.17896	0.3
237.22336	0.7
263.23785	1.0
265.25378	66.7
266.25711	6.3
281.88165	0.3
283.26346	1.8
309.19107	0.4
309.24380	22.8
310.24753	2.3
327.25415	100.0
328.25793	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	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03443	1.5
58.20126	0.5
69.25567	4.3
71.01366	0.8
80.15784	0.5
83.05025	0.5
84.02163	0.6
85.02962	4.6
92.53342	0.5
92.79057	0.5
95.05001	0.9
97.02956	0.7
97.06606	5.4
100.41015	0.5
108.30976	0.6
109.44856	0.5
125.09753	0.9
127.11309	1.4
128.04060	0.5
155.10793	1.2
155.14432	0.9
160.70801	0.6
163.11295	0.8
165.12822	1.2
167.14401	1.7
171.10278	9.4
177.12840	1.6
183.13919	4.7
185.11806	1.9
193.12300	1.6
209.11830	1.9
211.13406	23.2
212.13763	1.6
221.11824	4.4
229.14458	14.1
230.14772	0.8
239.12904	2.0
291.19727	4.0
309.20795	1.2
327.21777	100.0
328.22107	8.6
339.22693	0.5
346.37967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
52.87725	0.8
59.01374	2.6
71.01373	4.1
71.55025	1.0
81.84794	0.8
85.02946	1.4
87.00888	6.2
89.02483	1.1
93.03453	2.0
95.01379	1.6
101.02438	2.1
103.38889	0.8
106.87890	0.8
108.02119	0.7
109.02981	1.6
113.02448	1.8
121.02963	8.1
122.03742	1.3
123.04526	1.5
129.05551	1.8
135.04597	1.0
149.02449	72.4
150.03242	70.7
151.03571	3.1
161.04559	1.1
163.03995	2.1
163.62526	0.7
164.04807	27.2
165.05582	100.0
166.05936	4.8
191.05595	2.2
207.06674	0.9
291.10913	1.9
327.14252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.03424	1.1
59.01384	40.6
65.31139	0.9
66.47576	1.0
67.50415	0.9
71.01386	21.2
71.14832	2.3
72.01740	1.2
72.99313	4.5
73.02960	1.5
83.01421	1.0
85.02975	4.8
87.00896	2.3
89.02454	19.0
93.03487	1.2
95.01418	1.2
101.02451	13.1
103.05554	2.4
113.02494	6.6
119.03523	8.1
119.05013	6.2
132.12418	0.9
135.04544	1.6
147.04539	100.0
148.04869	5.8
165.04187	2.1
165.05571	16.7
259.01138	1.0
327.10895	72.2
328.11304	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	327.2181
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.26113	1.2
54.10567	1.3
57.03436	1.9
59.01377	3.2
63.65992	1.1
68.57063	1.2
68.68797	1.4
69.38755	1.6
69.39160	8.7
72.99312	2.3
74.02486	2.3
87.00901	3.7
97.06602	2.9
101.83517	1.4
103.75962	1.2
125.09707	6.3
140.80269	1.2
168.91379	1.2
171.10292	6.5
173.11890	5.0
206.31415	1.2
219.69792	1.3
237.22224	8.4
247.20709	4.1
254.40764	1.2
255.19658	4.1
263.20316	1.4
265.21838	7.9
269.21024	1.5
273.18750	2.0
281.21243	8.4
283.22812	15.7
291.19690	18.7
292.20306	1.4
300.39145	1.3
309.20801	26.1
327.21835	100.0
327.25476	18.0
328.22083	9.0
328.25500	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	327.1088
Annotation	Androsin
Peak:m/z	Relative Intensity
51.41221	0.8
57.00946	0.8
58.00587	1.4
59.01387	38.9
69.44273	4.6
69.44685	1.6
71.01389	20.0
72.99318	3.7
73.02951	0.8
77.91850	0.8
80.02712	0.9
83.01389	1.4
85.02950	4.4
87.00900	1.6
89.02457	16.1
91.75878	0.9
95.01409	2.1
97.33208	0.8
101.02446	13.3
103.05534	2.9
109.35558	0.8
113.02466	7.5
119.03530	8.1
119.05004	5.5
135.04573	1.1
143.03506	1.0
147.04538	100.0
148.04918	4.5
153.05608	1.7
161.05898	0.9
163.03937	0.9
165.04227	1.2
165.05591	14.0
175.95758	0.8
176.04836	1.5
179.05614	1.9
209.04486	1.4
327.10886	66.7
328.11115	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	327.1088
Annotation	Androsin
Peak:m/z	Relative Intensity
52.30583	0.4
57.03434	0.6
59.01113	0.5
59.01386	5.5
60.96909	0.5
61.01786	0.7
64.34650	0.4
71.01391	3.7
71.53970	0.6
71.54345	0.6
73.02939	1.2
75.00870	1.0
75.75547	0.5
78.95918	2.9
85.02932	1.8
85.65674	0.5
87.00883	5.5
89.02432	1.6
93.03455	1.9
95.01395	1.3
95.05017	1.4
96.96970	1.8
101.02438	2.3
102.16372	0.5
105.03426	0.5
109.02967	2.6
113.02459	1.8
119.03542	0.5
121.02975	10.1
123.04561	0.8
127.04028	0.9
131.95161	0.5
134.04752	5.8
137.02455	1.7
149.02452	80.2
150.03246	70.2
150.04520	0.8
151.03526	2.8
153.01897	3.0
161.04662	0.6
163.04002	1.2
164.03748	0.4
164.04808	26.2
165.05586	100.0
166.05972	4.2
189.04115	1.8
191.05699	1.4
207.06747	1.5
215.52475	0.5
245.26584	0.5
327.08521	1.7
336.94760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	5-Hydroxy-7,3',4'-trimethoxyisoflavone
Peak:m/z	Relative Intensity
50.85539	0.8
51.35790	0.8
57.03444	1.1
59.01367	2.7
65.00330	1.5
71.54910	1.0
72.99306	3.0
81.03449	1.9
89.12345	0.8
97.06600	1.0
105.03449	1.2
107.01391	2.2
119.05040	1.1
121.02916	0.9
123.04547	1.4
125.09715	0.8
137.06058	1.7
147.04535	5.1
149.02493	3.8
149.55901	0.7
151.00385	8.4
154.42819	0.9
171.10289	2.1
190.02769	3.4
191.03511	100.0
192.02333	0.8
192.03850	4.4
211.13503	1.3
265.18018	3.7
267.61090	0.7
283.19217	0.7
299.22540	0.8
301.23828	0.6
309.17014	2.2
309.20819	3.0
324.27631	0.7
327.04907	1.1
327.08765	12.5
327.18088	6.3
327.21808	17.1
328.09073	1.3
328.22128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0877
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.88334	0.6
74.40759	0.6
93.03469	29.9
94.03815	0.8
96.99323	7.1
105.17490	0.7
106.04152	0.9
117.03487	2.9
119.05041	28.7
120.05348	1.2
123.04519	2.0
130.04242	2.2
131.05034	6.7
133.02962	5.8
137.02492	1.1
143.05038	25.4
144.05367	1.4
145.02985	3.8
145.06586	1.2
159.04562	1.1
163.04016	11.4
169.75188	0.7
171.04504	2.1
177.05772	0.7
211.07629	8.0
219.08134	0.9
221.09846	1.2
222.06825	1.0
223.07698	2.7
235.07683	4.3
237.09239	7.7
239.10789	0.9
247.07684	0.7
265.08694	23.6
266.09027	2.4
283.09741	4.4
288.38055	0.8
309.07678	7.6
327.08755	100.0
328.09088	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01380	1.9
68.49042	0.5
68.53916	0.6
69.50169	4.2
74.81602	0.6
109.41639	0.6
116.00043	0.8
163.75435	0.6
173.55215	0.5
178.90446	0.6
180.33348	0.6
183.01219	8.6
188.13361	0.6
188.82555	0.5
197.02805	7.8
198.03572	0.9
214.40115	0.6
263.23801	27.8
264.24188	2.3
269.71552	0.5
279.23392	1.2
281.24869	100.0
282.25232	8.9
283.22845	0.8
297.24243	0.8
307.22812	3.5
325.18430	31.3
325.23840	59.0
326.18747	2.6
326.24200	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
51.72803	0.8
59.01385	100.0
60.01717	1.0
63.16582	0.8
71.31493	1.6
125.68349	0.9
135.79692	0.8
183.01205	19.4
184.01860	1.2
197.02779	1.6
257.13062	0.9
281.27817	1.1
297.55057	0.9
325.18448	39.5
325.27466	52.1
326.18896	4.1
326.27823	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	327.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88601	1.1
59.01388	7.0
70.61171	3.1
71.01392	4.5
73.02954	1.2
78.95908	2.1
79.38565	1.0
82.84877	1.2
85.02959	2.4
87.00887	5.4
89.02452	3.2
89.43964	1.1
93.03465	2.2
95.01397	1.5
101.02467	1.8
109.02971	4.0
113.02453	2.4
121.02989	7.3
134.04735	12.6
137.02434	2.3
149.02451	66.9
150.03242	69.4
151.03543	3.2
153.01913	2.6
157.90642	1.2
163.03891	1.2
164.04796	26.5
165.05580	100.0
166.05939	4.0
191.05627	3.1
194.44231	1.3
270.50281	1.2
276.38815	1.2
322.62833	1.3
327.08160	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
77.42133	0.5
95.32910	0.5
145.59364	0.5
181.01511	0.5
183.01219	2.9
184.07878	0.5
197.02812	3.7
198.03436	0.6
213.89328	0.5
229.38724	0.5
263.23804	26.8
264.24109	2.3
275.14319	0.5
279.23434	0.5
281.24875	100.0
282.25275	9.8
283.22873	0.7
307.22864	3.3
325.18420	12.9
325.23840	52.5
325.27106	2.1
326.18753	1.3
326.24246	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01377	2.3
59.66085	0.6
69.41996	1.0
69.42405	3.7
93.96301	0.6
98.20643	1.3
101.59198	0.6
101.81980	0.5
183.01215	2.2
197.02794	5.2
220.66846	0.7
230.02545	0.7
247.35069	0.7
261.22168	0.9
263.23831	34.3
264.24249	3.0
279.23358	1.3
281.24869	18.6
282.25262	1.5
289.21780	1.1
307.22830	12.7
308.23114	1.4
325.18329	12.0
325.23871	100.0
326.24219	8.5
326.27792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01381	1.9
69.83221	2.6
79.95758	1.3
94.55480	0.5
101.02480	0.5
119.05016	1.2
138.09135	0.6
149.09731	60.8
150.10101	2.6
163.11301	66.8
164.11598	3.6
170.00412	0.8
183.01221	50.2
184.01949	7.3
197.02814	1.8
211.04436	0.5
216.00984	3.2
225.05904	0.6
325.18384	100.0
325.21805	60.1
325.26877	4.8
326.18701	10.6
326.22174	6.9
341.02460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32045	0.6
57.03453	1.1
59.01386	3.9
71.01395	1.4
71.05014	4.6
71.56425	1.1
72.79192	0.7
75.57582	0.7
79.66788	0.7
84.06264	0.7
95.01427	0.7
96.95995	1.5
126.42534	0.6
149.16467	0.6
183.01218	1.8
208.96083	0.7
219.17703	1.1
233.19110	3.2
235.20699	4.3
247.20679	0.8
263.23792	41.7
264.24026	3.3
265.14807	1.5
281.21307	2.0
281.24817	6.1
282.25195	0.8
297.24207	1.0
307.22797	11.1
314.60330	0.7
325.20334	3.7
325.23831	100.0
326.15042	0.7
326.24240	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01386	3.0
63.96235	1.8
69.03474	1.5
71.05042	1.1
78.70171	1.1
101.15239	1.0
153.19711	0.8
156.47267	0.8
177.09534	1.1
183.01204	1.3
209.19127	2.9
225.11656	0.9
228.99576	0.9
235.20683	1.4
237.22260	3.1
244.27629	0.8
249.39143	0.9
253.21774	2.5
263.20169	6.3
281.21246	96.5
281.24442	3.8
282.21506	8.3
307.19391	1.7
307.22781	3.7
325.20285	100.0
325.23871	11.6
326.20584	9.0
326.24042	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	325.2022
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03432	0.8
57.61350	0.4
59.01369	1.0
59.09307	0.4
59.12697	0.5
69.03454	0.6
69.30769	3.9
71.01403	0.4
79.74902	0.4
81.34198	0.5
90.97524	0.4
92.25246	0.4
98.20663	1.1
121.99222	0.4
207.17514	1.0
209.19099	2.0
210.19292	0.4
211.70973	0.5
221.19012	0.8
237.22270	3.0
245.42690	0.6
263.20145	3.1
281.21228	100.0
282.21600	7.7
306.43738	0.5
307.19232	5.1
307.22610	0.9
325.20215	82.3
326.20535	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	325.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10525	0.3
59.01375	0.5
70.78481	0.4
70.78793	0.4
73.63173	0.3
79.95361	0.3
79.95721	1.6
80.96577	0.3
84.44836	0.3
98.39833	0.3
105.73678	0.3
119.05029	1.6
132.90533	0.3
170.00447	2.2
183.01221	58.3
184.01753	3.2
197.02737	1.6
211.04425	0.4
216.00980	0.9
225.05931	0.8
234.88928	0.3
239.07571	1.0
253.09140	0.4
261.22159	0.4
281.24881	0.7
283.22739	0.5
297.24127	0.5
298.12881	0.3
325.18433	100.0
326.18759	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	325.1141
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
57.03456	39.7
58.92217	1.2
59.01386	59.9
71.01384	20.7
71.12321	1.8
72.99304	1.8
73.02956	6.4
75.00876	4.3
83.01385	1.5
85.02960	8.0
89.02460	15.6
98.63870	1.2
99.04533	35.1
101.02452	43.5
101.83145	0.9
102.02756	1.2
113.02468	7.7
119.03502	3.9
125.02483	7.9
131.03505	4.7
143.03490	3.3
145.05066	2.9
145.78363	1.1
161.04564	16.3
162.05003	1.2
163.06142	31.7
181.07198	100.0
182.07512	2.1
223.08231	15.2
246.26817	1.4
263.11340	1.1
274.52393	1.2
291.53372	1.0
325.07669	2.0
325.11392	29.7
326.11786	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25071	0.7
57.03442	3.3
59.01385	100.0
60.01698	1.0
61.01793	1.1
62.49572	0.8
71.01394	9.2
71.08662	1.4
71.09043	1.3
73.02950	2.4
74.35435	0.9
78.42140	0.7
85.02950	2.9
89.02454	4.2
95.01376	1.0
98.74144	0.8
99.04543	1.6
101.02471	4.7
113.02461	2.5
119.03465	1.0
119.05054	1.3
135.39114	0.8
161.04565	3.9
163.04002	1.3
163.06178	2.1
181.07172	5.6
221.04453	1.1
230.86903	0.8
265.12909	7.9
325.11389	1.5
325.14044	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	325.0931
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.47591	0.5
59.01380	1.1
59.78325	0.4
69.27227	1.3
69.27643	3.0
85.02976	0.5
88.98265	0.4
93.03463	0.6
119.05037	100.0
120.05390	3.8
133.02986	0.7
134.03732	0.5
135.04562	1.2
163.04022	79.7
164.04352	3.6
171.17470	0.4
176.04797	2.4
179.03548	0.9
191.07156	2.1
205.05046	0.8
235.06088	1.9
325.09088	0.8
338.54236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1141
Annotation	2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
Peak:m/z	Relative Intensity
55.01871	1.8
57.03451	39.1
59.01384	62.7
61.63318	1.0
70.58957	3.2
70.71196	1.0
71.01386	27.3
72.99317	1.2
73.02945	7.8
75.00867	4.3
79.66290	1.0
83.01393	2.5
85.02959	9.7
86.86802	1.0
87.00907	1.5
89.02449	20.1
95.15231	1.0
97.03002	1.2
98.19870	1.3
99.04530	36.7
101.02454	43.4
101.03116	2.4
103.04045	1.8
113.02457	7.7
115.04058	1.3
119.03537	5.3
125.02476	9.7
131.03496	3.7
143.03496	2.9
145.05070	2.5
161.04573	16.3
163.06154	35.0
179.05621	1.6
181.07198	100.0
182.07497	2.2
193.07133	2.1
223.08263	12.5
224.08632	1.1
263.11160	1.7
325.11395	40.5
326.11737	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2593
Annotation	15-HEDE
Peak:m/z	Relative Intensity
53.23858	1.3
54.21074	1.4
59.01371	5.4
69.48389	11.1
83.05024	5.7
85.06586	15.4
89.18130	1.3
91.01859	2.3
119.05049	13.2
132.05743	2.6
135.00876	3.3
187.11250	5.2
221.08138	3.3
241.21617	4.1
251.23987	1.8
279.26941	100.0
280.27261	9.2
305.24847	7.5
323.12958	10.1
323.25858	39.1
323.29584	9.2
324.26315	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81722	0.4
52.52434	0.5
59.01391	1.1
65.75956	0.4
69.46012	3.6
84.44468	0.4
88.71976	0.4
93.03487	1.2
98.20681	0.9
110.28727	0.4
119.05036	100.0
120.05387	4.8
122.27562	0.4
133.02989	0.6
135.04573	0.7
151.03993	0.5
161.02449	0.5
163.04022	77.7
164.04344	3.6
176.04866	2.1
179.03336	0.5
191.07191	1.8
197.96036	0.5
235.06079	1.3
325.09201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74966	0.9
52.17326	1.0
55.01883	4.6
57.03446	10.6
59.01380	6.7
65.57085	1.1
69.03465	4.3
69.82111	4.9
71.05030	49.0
71.99606	1.0
73.02959	1.0
77.03394	1.0
83.05041	1.3
83.83924	1.0
85.53745	1.0
91.01920	1.7
91.20750	1.0
96.96021	4.2
106.34467	1.1
119.05045	13.2
119.08700	2.2
132.05888	1.7
135.00902	2.2
153.01997	2.0
171.10301	3.6
173.26805	1.0
187.11299	3.7
195.17561	6.6
203.07178	2.0
207.17557	4.2
212.02490	1.1
223.20689	5.5
231.88921	1.2
235.20782	1.2
237.22321	3.0
261.22278	4.2
263.20197	1.2
264.64236	1.1
265.14752	6.6
279.23315	100.0
280.23587	7.7
291.19751	1.6
305.21268	31.4
306.21603	2.7
314.66190	1.2
323.13190	6.4
323.22333	87.7
323.25876	7.8
324.13596	1.5
324.22653	8.4
340.46402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66484	0.5
59.01328	1.4
70.95176	1.0
71.04967	0.5
91.01826	0.5
94.07823	0.5
96.95990	0.5
97.02914	0.7
99.00917	2.8
99.01419	0.7
106.04177	0.4
110.03752	3.7
119.05029	2.2
120.23488	0.5
123.04488	1.7
134.64429	0.5
135.00882	0.7
136.05257	1.3
142.02747	2.9
187.11301	1.0
192.00677	0.5
222.49820	0.4
223.20641	2.8
251.23840	0.7
261.22220	3.8
262.22556	0.5
279.23306	37.7
280.23688	3.0
295.22818	3.0
305.21237	66.9
306.21552	6.9
323.12891	1.7
323.22290	100.0
324.22610	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.53606	0.9
51.76937	0.8
58.64944	0.8
59.01152	1.0
59.01388	10.7
59.56637	0.8
71.05049	1.2
71.16260	1.5
71.16588	1.3
91.77921	0.9
95.05032	1.4
96.96005	1.0
97.06607	1.1
98.20020	1.0
99.35786	0.9
103.67851	0.9
109.02979	1.0
109.06635	0.9
110.43148	1.0
119.05040	9.0
123.04568	1.1
124.52218	0.9
132.05772	1.4
135.00891	1.7
151.07678	2.5
159.96506	1.0
165.12907	1.1
177.11383	0.9
187.11255	3.0
203.07124	1.6
221.08223	1.0
261.22177	7.7
274.89255	1.0
279.19998	0.9
279.23187	4.4
287.20041	1.0
305.21259	100.0
306.21606	9.2
309.29419	0.9
323.09576	1.1
323.12888	4.3
323.18506	2.3
323.22275	32.7
323.25696	2.0
324.22653	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03442	3.6
58.00580	4.3
59.01385	100.0
60.01710	1.0
71.01387	58.8
72.99305	3.1
73.02948	1.8
78.95895	2.1
83.01375	2.4
85.02969	18.3
87.00875	9.7
89.02454	55.7
95.01387	4.1
96.96973	1.4
101.01805	1.5
101.02454	29.9
113.02460	31.6
119.03516	25.3
131.03499	2.0
143.03479	2.0
149.04568	1.7
161.04565	3.3
179.05602	3.5
211.00136	1.7
261.19446	1.1
266.80804	1.2
290.65762	1.0
323.09888	8.4
323.13446	86.4
324.13812	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	323.1867
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.11816	1.5
57.03445	2.8
57.37460	1.8
59.01386	17.6
61.98828	16.8
69.93296	1.7
70.45876	1.6
71.01395	2.7
71.05015	8.7
80.02665	2.1
81.03467	2.9
83.05034	8.5
84.02164	1.6
85.02957	1.7
89.02468	1.8
95.05030	5.7
97.02956	3.6
97.06595	6.3
98.19916	3.2
101.02407	1.8
107.05027	14.2
109.02968	2.7
109.06583	4.9
113.02437	1.9
119.05009	7.5
121.02962	1.9
123.04543	3.4
123.08172	3.2
125.06084	6.6
125.09691	7.7
135.00848	2.6
135.08188	6.8
151.07683	3.4
153.09247	10.8
161.04475	2.7
163.11269	6.5
165.12831	2.3
169.72301	1.6
171.10263	6.1
176.08453	4.5
178.10046	2.1
179.10728	1.9
179.14337	1.7
185.11935	4.1
187.11337	3.2
189.12817	3.5
191.10785	3.9
197.11832	14.5
207.10269	5.8
209.11847	100.0
210.12143	3.2
225.11243	6.1
234.22169	2.1
235.16983	1.6
237.35927	1.9
243.17519	2.3
261.18564	6.8
263.16367	19.7
264.16519	2.3
277.18073	2.5
279.19601	7.9
287.16525	10.7
305.17554	86.5
305.21231	37.4
306.17920	7.9
306.21402	3.8
323.12756	5.7
323.18497	45.9
323.22278	16.1
324.18750	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54641	0.2
57.68189	0.2
59.01393	1.1
66.83183	0.2
68.34009	0.2
71.01368	0.4
74.70004	0.2
78.82931	0.2
79.95766	1.2
85.02959	0.2
87.00858	0.3
89.64282	0.2
96.96019	100.0
97.95959	0.3
101.02460	0.3
114.99046	0.2
139.11311	0.3
144.09929	0.2
163.04031	0.3
183.10243	0.3
199.13446	0.2
243.12244	1.0
323.08078	13.3
324.08389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80267	0.9
57.03434	0.9
58.00592	1.8
59.01383	42.3
59.52024	0.7
69.31358	6.9
71.01389	9.1
72.99316	2.2
73.33075	0.8
80.57408	0.8
85.02963	1.0
87.00894	1.5
89.02447	8.0
90.98601	2.8
98.19957	1.8
101.02435	10.0
113.02438	1.7
119.03551	1.1
119.05059	0.9
135.04491	1.7
136.39064	0.8
145.07637	1.4
151.90707	0.7
160.06433	16.2
161.07216	61.9
162.07538	2.6
168.74385	0.8
173.10081	1.4
175.08771	41.4
176.04126	1.1
176.09085	1.5
179.00146	1.4
187.08821	0.9
189.06703	100.0
190.06996	4.9
191.11145	1.6
201.10269	1.3
203.08275	36.5
204.08571	1.6
229.09743	1.5
253.70050	0.7
261.11581	1.2
279.12598	1.0
295.12955	1.5
305.11365	1.4
323.12457	30.2
324.12766	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81420	0.7
50.83515	0.7
59.01384	100.0
69.81665	4.0
71.01387	10.8
73.02948	1.1
75.78928	0.7
77.74947	0.8
85.02945	3.2
89.02452	10.5
95.01370	0.8
101.02444	6.7
101.06091	1.0
109.76214	0.7
113.02435	4.5
115.11989	0.9
119.03480	4.6
143.03485	1.5
161.04544	2.8
262.18515	0.8
263.11404	2.1
323.13446	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.3
59.01384	100.0
62.04072	1.0
69.48077	7.1
71.01387	45.3
72.99308	3.1
83.01389	2.6
84.00619	1.0
85.02963	9.9
87.00857	2.4
89.02455	52.5
89.53663	1.0
90.02782	1.1
95.01387	5.6
99.89941	1.1
101.02452	32.6
102.09534	1.1
106.69173	0.9
113.02461	21.6
119.03511	28.9
131.03493	1.3
143.03510	2.2
149.04562	1.2
161.04553	1.4
161.95918	1.0
168.21729	0.9
169.68376	1.2
179.05623	3.4
232.55458	1.0
248.03763	1.1
323.13492	88.1
324.13870	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	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34174	0.4
51.31949	0.4
59.01114	0.7
59.01385	10.3
60.99296	0.6
68.99822	1.0
69.59922	3.3
71.01388	6.5
72.30006	0.5
72.99306	6.0
84.99329	0.7
85.02959	2.0
86.00103	1.0
89.02448	5.8
100.98795	0.8
101.02438	3.1
105.03466	2.1
110.82403	0.4
112.49641	0.5
112.98820	40.1
113.02446	2.3
113.99598	31.3
114.00416	1.0
114.99886	0.5
119.03532	2.3
119.05014	0.6
121.02931	0.7
123.04534	0.7
128.98181	0.5
133.02956	1.6
135.04466	1.0
151.04030	7.5
156.03264	0.8
161.02449	31.3
162.02737	1.2
176.04791	21.3
177.01932	1.4
177.05202	0.6
179.03505	51.3
180.03891	1.7
189.01901	0.9
191.05492	1.0
191.07138	9.9
194.05844	56.5
195.06230	2.4
204.04243	1.5
209.08197	100.0
210.08508	6.0
215.03725	0.6
232.03798	1.9
247.06151	1.3
279.08646	3.0
323.07687	4.5
323.13452	9.3
324.14005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56314	0.2
56.82911	0.2
65.17085	0.2
65.75137	0.2
74.80712	0.2
78.36858	0.2
91.05480	0.3
95.92472	0.2
98.19872	0.5
115.34818	0.2
131.93712	0.2
145.78925	0.2
197.15459	0.4
204.04236	0.2
211.17133	0.2
214.12480	0.2
217.12170	0.3
225.18546	1.8
235.20662	0.4
237.14743	0.6
243.13622	0.4
245.15143	0.6
251.12556	0.3
251.20213	0.7
253.21727	21.3
254.22095	1.5
257.15363	0.3
259.16699	0.2
265.17914	0.7
269.15201	0.6
271.16824	3.2
272.17184	0.2
273.18381	5.9
274.18768	0.4
275.12714	0.4
277.14246	0.5
285.14651	0.3
287.16534	0.2
289.17728	0.4
291.19342	0.3
293.21021	2.4
294.21249	0.3
303.15741	1.4
303.19467	0.9
305.17377	7.7
306.17734	0.6
307.19052	1.2
309.16870	0.3
321.20477	100.0
322.20819	8.9
335.18393	0.4
337.19864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2438
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.57336	0.3
59.01378	1.2
64.79285	0.3
65.82027	0.3
70.02836	1.5
79.95753	1.4
80.66174	0.3
94.81971	0.3
97.06621	0.6
106.98087	0.5
259.20734	0.5
303.23422	0.5
321.24350	100.0
322.21381	0.4
322.24664	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	323.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70785	0.5
56.90229	0.5
59.01390	8.8
60.97636	0.5
60.99295	0.8
63.62465	0.5
64.92161	0.5
68.99822	1.2
69.35178	0.6
69.35464	4.5
70.97350	0.6
71.01127	0.4
71.01396	4.3
72.99313	7.5
74.22300	0.5
83.50346	0.6
84.99318	1.0
85.02956	2.2
86.00080	0.6
87.00922	0.9
89.02452	4.0
94.84850	0.5
101.02431	2.3
105.03473	2.2
107.05123	0.5
112.98824	37.1
113.02483	1.2
113.99606	29.2
115.00005	0.6
119.03518	1.6
121.02994	0.9
133.02945	2.8
135.04561	1.3
149.02417	0.6
151.04015	7.9
156.03239	1.4
161.02464	30.5
162.02795	1.8
175.04022	0.7
176.04802	21.7
177.01950	1.6
177.05179	1.1
179.03516	53.2
180.03828	2.0
189.01872	0.9
191.07144	7.8
194.05855	53.6
195.06197	2.1
204.04330	1.4
209.08208	100.0
210.08516	4.7
217.05086	0.7
219.06651	0.6
232.03748	2.4
247.06099	1.5
259.31870	0.6
279.08835	3.4
308.05249	0.7
323.07785	5.7
323.13443	6.5
335.86279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01716	1.1
69.26530	7.9
71.01386	3.5
73.58526	0.9
84.95405	0.7
89.02453	6.3
89.30040	0.8
101.02451	2.3
113.02434	2.2
119.03532	1.7
132.74089	0.9
136.07741	1.1
148.36446	0.9
247.13214	0.8
264.78131	0.9
266.15060	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	321.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01389	8.3
59.65118	1.0
69.03461	3.5
71.05048	1.2
71.55602	1.2
82.50508	1.0
82.89443	1.2
93.72528	1.0
96.96052	1.5
97.02968	1.4
98.72395	1.0
110.67982	1.1
116.77087	1.1
122.03777	1.1
135.81754	1.0
148.68503	1.1
152.21472	1.0
170.88420	1.0
179.14435	35.1
195.17581	11.1
209.19080	3.0
219.00311	1.2
221.15489	26.2
222.15822	2.7
239.16545	100.0
240.16850	5.8
261.14728	2.4
268.54153	1.2
275.16367	4.5
277.17889	9.0
278.18457	1.2
303.15863	7.6
308.97076	1.2
321.16919	51.8
321.20566	4.1
322.17322	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01877	2.1
57.03446	1.2
58.00587	1.2
59.01383	30.7
69.78522	0.6
71.01387	22.3
71.01785	1.1
72.99321	1.6
73.02946	3.9
83.01389	3.8
85.02952	7.1
87.00883	1.9
89.02450	11.0
95.01400	2.1
99.00906	0.9
99.16284	0.6
101.02453	15.7
104.62914	0.6
111.00937	0.7
113.02461	8.3
119.03498	4.4
138.14500	0.6
138.77135	0.6
139.07672	5.0
151.34242	0.6
157.08725	11.2
161.04649	1.1
173.04535	1.8
257.12918	0.9
301.12518	2.4
319.13989	100.0
320.14343	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	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03446	1.2
58.00587	1.2
59.01383	30.7
69.78522	0.6
71.01387	22.3
71.01785	1.1
72.99321	1.6
73.02946	3.9
83.01389	3.8
85.02952	7.1
87.00883	1.9
89.02450	11.0
95.01400	2.1
99.00906	0.9
99.16284	0.6
101.02453	15.7
104.62914	0.6
111.00937	0.7
113.02461	8.3
119.03498	4.4
138.14500	0.6
138.77135	0.6
139.07672	5.0
151.34242	0.6
157.08725	11.2
161.04649	1.1
173.04535	1.8
257.12918	0.9
301.12518	2.4
319.13989	100.0
320.14343	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	321.0827
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01878	1.4
57.03451	3.6
59.01385	17.1
62.27792	1.3
68.99812	1.4
69.03465	6.5
70.58115	4.4
71.01387	18.0
72.99313	1.5
73.02955	15.5
78.34803	1.4
78.95923	8.1
83.01412	3.3
85.02962	35.1
87.00885	100.0
89.02453	5.5
95.01395	4.1
96.96021	4.4
96.96957	6.4
97.02353	2.9
97.02966	49.6
97.78372	1.3
98.03320	1.6
99.00888	2.5
101.02473	6.3
103.04018	10.6
111.00868	3.0
113.02473	9.8
115.00394	11.1
115.04029	2.3
129.01929	2.5
141.01938	11.7
157.01440	7.1
159.03052	2.5
164.89572	24.1
175.02492	42.9
217.03531	17.8
217.21599	1.6
276.95596	1.4
303.07275	5.3
321.08264	25.0
322.08258	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	321.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36054	1.5
56.96255	1.2
59.01386	12.0
66.03486	1.2
71.01385	7.4
71.54542	1.5
73.02955	2.8
80.05058	4.3
81.03459	1.6
81.42613	1.2
82.03000	2.2
82.06651	6.5
84.04552	15.8
85.02970	4.1
85.05407	1.2
86.02482	3.9
89.02444	4.1
92.05071	30.3
94.02979	4.8
94.06595	1.2
95.01370	1.2
95.03774	4.1
95.05064	2.3
96.00901	2.6
96.04551	9.1
97.01686	10.1
98.87335	1.3
101.02448	4.6
107.03776	2.5
108.04575	4.6
110.06131	62.2
112.04057	4.4
113.02433	2.1
121.05361	2.5
122.06139	71.9
123.03264	3.5
123.06466	1.6
124.04066	8.1
124.07689	5.3
134.03757	2.3
136.04056	52.2
136.07687	15.9
137.04878	1.3
140.03586	1.3
140.07231	6.9
161.04518	2.2
168.03029	1.7
168.06688	9.0
180.06696	2.8
181.03848	9.6
193.05043	1.5
203.11903	30.1
215.11876	11.1
215.38545	1.3
229.06064	2.1
233.12956	1.7
247.10890	51.0
248.11304	2.9
259.10892	51.4
260.11240	3.4
277.11945	6.2
303.09995	2.9
321.10941	100.0
321.14694	5.6
321.22916	3.1
322.11230	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39005	4.7
80.05048	1.7
89.81661	0.6
92.05082	1.0
93.03455	0.6
94.06625	4.3
95.03774	0.8
96.08196	2.3
97.01708	1.2
98.19922	1.1
106.06645	0.8
108.02200	0.6
108.72586	0.6
109.01699	0.7
109.05334	1.4
120.04565	5.2
121.05347	1.6
122.06132	16.9
123.04547	1.1
124.04035	0.8
124.07695	18.3
125.07971	0.6
136.04082	3.2
136.07697	0.7
137.02441	2.1
138.05617	1.1
140.07184	1.3
143.08760	0.5
148.04059	25.9
150.05605	8.9
152.03563	0.8
161.02493	0.8
164.01163	1.0
165.01933	0.7
168.06706	1.8
179.03503	1.7
192.79196	0.5
194.04579	0.9
199.12381	0.8
213.06787	0.9
215.08206	0.7
215.11885	1.2
228.09038	1.8
243.11349	1.2
255.11320	1.1
273.12469	100.0
274.12766	7.5
285.07602	3.1
317.11432	17.2
318.11832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99579	75.5
69.48938	13.6
69.49348	3.7
78.95901	2.7
85.02973	2.4
96.96983	3.5
102.76955	1.9
112.98579	100.0
113.02357	2.3
160.69594	1.9
166.32925	1.9
198.90611	2.6
319.06586	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	317.101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.6
69.40851	12.0
71.01385	25.9
71.02622	27.6
74.33205	11.7
75.01940	11.8
78.95914	89.1
81.37733	13.4
86.01656	12.5
93.03468	19.2
99.04545	19.6
101.10415	13.3
108.02188	100.0
109.02958	36.5
124.04074	20.0
134.04791	20.1
137.02449	21.6
161.04575	20.0
168.42670	13.7
173.04546	14.9
198.90533	41.4
200.90347	15.1
216.91669	27.4
230.01393	13.2
256.87283	12.6
280.86954	57.6
298.87912	23.7
317.10492	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	317.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98257	0.7
57.03452	16.3
63.02395	3.0
65.00323	7.9
70.04680	0.8
78.92138	0.9
81.03467	1.0
82.33331	0.8
83.01392	8.5
95.01400	6.0
98.20754	2.1
107.01394	5.5
108.02194	1.3
109.02997	1.1
111.00880	3.5
121.02901	0.9
122.03680	1.9
123.00903	4.5
124.01689	13.0
125.02459	100.0
126.02810	2.6
136.01630	1.2
139.00380	1.3
146.03743	1.3
148.01672	1.5
149.02455	4.7
150.03256	2.2
151.00378	13.1
151.75070	0.8
151.99985	1.6
152.01173	26.0
152.02403	1.3
153.01848	1.5
163.03935	0.8
169.01358	1.3
175.04111	1.3
178.99878	10.0
184.16661	0.8
186.06870	1.5
187.04048	1.8
188.04741	2.8
192.04295	9.2
207.06636	6.0
213.05550	1.0
214.06384	2.6
215.03412	1.8
216.04297	2.4
229.08707	1.1
230.05875	3.7
231.06569	7.6
233.04572	1.5
249.07675	1.6
257.04462	1.0
258.05228	4.1
273.07715	10.7
274.04880	3.6
284.03381	1.2
289.07205	66.3
290.07416	4.6
294.68866	0.8
299.05701	1.7
317.06686	57.6
318.07016	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	315.2543
Annotation	12,18-dihydroxystearic acid
Peak:m/z	Relative Intensity
52.43598	0.5
58.00595	0.6
59.01383	11.9
70.39823	1.9
75.00879	9.8
83.05069	0.7
95.93764	0.5
122.44115	0.5
151.00394	0.5
153.96544	0.5
179.73628	0.5
220.60530	0.5
239.23792	3.2
255.19511	0.8
255.23274	0.6
257.21240	3.6
267.23248	0.6
269.24838	1.1
277.45032	0.5
279.23294	0.8
297.24362	8.3
298.24762	0.7
300.02679	1.2
313.23959	4.6
315.05032	1.8
315.25360	100.0
316.25732	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32958	0.5
53.85294	0.4
57.03453	15.2
58.50198	0.5
63.02399	3.9
65.00327	6.6
68.99825	0.6
71.33520	0.8
74.57829	0.5
81.03483	1.1
83.01395	9.8
95.01396	7.4
95.01938	0.7
96.02222	1.1
105.63408	0.5
107.01399	5.7
107.54574	0.5
108.02176	1.1
109.02984	1.7
111.00879	2.8
117.17538	0.4
118.48215	0.5
122.03795	2.7
123.00907	4.1
124.01675	17.4
125.02459	100.0
126.02776	3.2
137.02454	0.9
139.00398	1.4
140.01138	0.5
146.03755	1.4
147.11606	0.5
148.01701	1.3
149.02434	4.5
150.03220	2.4
151.00372	15.4
152.01164	30.0
153.01941	3.2
153.05640	0.6
163.04013	0.9
166.94373	0.5
169.01434	0.5
171.04457	0.7
172.05350	1.0
175.03989	0.8
178.99872	11.4
180.00603	0.9
186.06863	0.9
187.04056	1.9
188.04762	2.9
192.04312	10.0
201.05580	0.7
202.06439	0.6
207.06650	8.5
214.06352	2.1
215.03485	1.7
216.04327	2.9
218.02115	0.6
225.11514	0.5
229.05006	0.8
229.08714	1.5
230.05852	4.9
231.06627	7.3
232.06955	0.6
233.04555	1.3
245.08170	2.0
249.07619	1.7
256.03720	1.0
257.04681	0.6
258.05386	5.1
259.00986	0.5
273.07693	11.9
273.20615	0.7
274.04926	4.6
274.07748	0.9
275.05319	0.9
284.03320	1.3
289.07199	69.3
290.07526	5.5
299.05624	1.7
317.06665	58.8
318.07050	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26154	0.6
57.03436	2.3
58.55794	0.5
59.01390	2.8
65.03098	0.5
71.01351	0.7
71.02164	1.6
71.59969	0.5
83.05033	1.1
85.06530	0.8
85.44691	0.6
91.01928	0.6
94.57287	0.6
97.06623	0.7
105.84099	0.6
127.11251	0.7
167.14374	1.1
209.19191	0.8
225.22198	1.1
235.20685	32.0
236.21043	1.9
237.18690	0.8
253.17984	1.2
253.21735	2.0
255.19711	1.5
271.19101	2.0
271.22604	2.7
279.19662	16.1
280.20099	1.3
297.20721	17.3
298.21054	1.3
300.02780	0.7
315.05304	1.3
315.21765	100.0
316.22107	8.0
321.39581	0.8
339.93048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69453	0.9
57.03442	4.3
59.01377	5.3
70.54903	1.7
70.55246	1.6
71.01416	1.2
83.05042	1.6
95.05018	0.9
97.06606	11.5
111.08211	1.8
113.09731	6.9
123.08174	8.1
125.09734	71.1
126.10093	2.2
127.11349	1.6
139.81654	1.2
141.09225	1.8
155.10753	2.9
159.10275	83.5
160.10652	3.3
169.08722	2.0
173.11838	48.1
174.12206	1.2
187.09822	2.6
213.71631	1.1
223.62294	1.0
232.97571	1.2
253.21727	2.2
255.19717	4.4
269.21280	2.8
273.17050	1.3
285.20819	2.2
297.20682	3.1
300.02774	1.8
315.05307	2.5
315.21829	100.0
315.25415	13.2
316.22186	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	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
62.60966	0.9
68.53342	0.8
70.95924	2.1
70.96260	1.1
71.05029	1.5
83.05019	1.3
91.36594	1.0
131.49301	0.8
203.37820	0.9
220.89780	1.0
235.20677	27.0
236.21089	2.4
241.18117	1.2
253.21692	6.0
254.21944	1.2
271.22763	6.0
279.19675	11.2
297.20721	18.0
298.20999	1.8
300.02701	1.4
315.05347	2.2
315.08813	2.8
315.21753	100.0
316.22003	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.8
69.93416	2.2
69.93802	1.7
98.19913	1.5
222.03256	0.8
235.20659	5.9
237.18784	1.3
253.21742	34.1
254.22015	3.1
255.19664	85.9
256.19943	5.5
270.37943	0.9
279.19635	1.1
287.18704	1.7
297.20697	10.9
315.21759	100.0
316.22159	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32285	0.2
59.01372	0.6
70.38307	0.8
72.99319	0.3
74.97682	0.3
103.86514	0.3
130.56099	0.3
175.24091	0.3
177.38774	0.3
222.60461	0.3
223.20638	0.8
225.22232	0.9
235.20686	6.2
251.20116	1.9
253.21739	24.7
254.22141	1.8
269.21228	35.6
270.21524	2.2
279.19672	0.6
297.20654	3.3
298.20975	0.3
315.21762	100.0
316.22086	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	315.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.1
59.01374	1.4
59.33512	0.4
63.93872	0.4
67.37189	0.5
69.09801	0.4
71.05023	0.5
75.00893	1.2
83.05018	1.5
85.02946	0.7
97.06588	3.7
99.08147	0.6
106.69481	0.4
108.02101	0.4
111.08179	3.8
113.02419	0.5
113.09718	0.8
123.08146	1.5
124.09515	0.5
125.09736	23.1
126.10051	1.0
127.07597	0.6
127.11289	1.5
139.11273	0.5
141.12843	1.5
143.10860	0.6
145.08713	3.2
159.10211	1.5
164.01172	0.6
169.08810	0.6
173.08191	1.0
174.57629	0.4
187.09766	8.3
188.10133	0.8
212.41803	0.5
225.22209	1.3
235.20680	34.4
236.20985	1.9
239.16548	0.6
251.20210	2.9
253.18022	1.0
253.21742	6.1
254.22186	0.7
271.22775	2.0
279.19672	17.1
280.19888	1.5
297.17175	1.8
297.20688	20.0
298.21069	1.5
300.02634	1.0
315.05121	2.0
315.08752	2.6
315.18192	18.2
315.21713	100.0
315.68988	1.1
316.18481	1.4
316.22083	8.7
321.53214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1813
Annotation	oscr#15
Peak:m/z	Relative Intensity
57.03456	5.0
59.01398	0.8
69.24122	7.3
71.01381	1.2
71.05047	0.9
75.00887	1.9
83.05024	8.2
85.02938	1.1
97.06602	5.5
98.00112	1.3
98.20771	1.2
98.28873	0.8
99.08161	1.4
108.02124	0.8
108.38406	0.8
109.06596	1.9
111.08164	40.2
112.08450	0.9
113.09761	1.1
119.02338	0.8
123.08157	3.1
125.09732	31.9
126.10046	0.9
127.07677	1.3
127.11253	0.7
128.31918	0.8
129.09213	1.8
143.10722	0.8
144.99257	0.8
145.08727	4.9
152.47800	0.9
159.10281	11.4
167.50804	0.8
169.08575	0.8
173.08173	10.8
182.81616	0.7
187.08163	0.8
187.09781	12.8
209.19101	15.6
210.19350	1.4
225.18579	2.3
235.20674	28.3
236.21014	2.1
251.20074	0.9
253.18106	30.4
253.21658	2.1
254.18422	2.4
271.19159	9.3
279.19653	13.9
280.20059	1.4
297.17056	42.0
297.20694	13.2
298.17505	4.1
298.20596	1.2
315.18130	100.0
315.21759	80.3
315.69043	3.3
316.18433	7.1
316.22098	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	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.48601	0.3
59.01397	0.7
65.03974	0.7
69.74533	2.3
71.01392	0.7
72.60426	0.4
77.61365	0.4
81.71179	0.4
85.02976	0.6
93.03441	1.0
95.05053	0.7
108.02216	0.6
109.02964	19.3
110.03280	0.4
122.03771	0.6
123.04542	70.6
124.04868	2.1
135.00909	0.9
135.04573	0.8
152.01143	0.6
153.01994	12.8
153.05591	100.0
154.02307	0.7
154.05945	3.2
161.04578	0.6
315.07184	4.5
315.10925	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	315.1813
Annotation	tetranor-TXB1
Peak:m/z	Relative Intensity
52.33667	0.5
57.03448	1.8
59.01374	3.0
71.01385	2.4
71.54289	0.6
72.99315	14.8
75.00876	10.9
77.47741	0.6
83.01393	0.8
85.02961	6.6
87.00878	1.7
89.29594	0.6
95.01385	0.9
99.00871	0.8
113.02457	2.3
129.01904	0.9
138.50806	0.5
146.30862	0.7
149.06062	0.8
149.29733	0.6
181.15974	2.2
194.11089	0.6
209.19122	14.8
210.19463	0.8
211.17039	2.0
225.14952	1.8
235.17062	1.4
241.18056	1.3
243.16087	0.8
253.18117	59.2
254.18466	3.8
255.16046	0.7
271.19138	10.6
297.17081	30.7
298.17465	2.1
306.18375	1.5
315.18323	100.0
315.69101	14.2
316.18448	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	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72220	0.3
56.07947	0.3
57.03431	0.4
59.01372	0.7
63.02410	2.2
65.00325	3.3
71.01378	1.8
71.29294	0.3
75.00901	0.5
79.40093	0.3
80.02692	1.9
83.01394	2.7
83.05038	0.8
85.02959	1.1
95.01390	0.6
96.02161	0.3
98.20747	0.9
101.02447	0.3
102.73395	0.3
107.01393	8.4
108.02184	16.1
109.02504	0.4
111.00846	0.3
113.02466	0.4
119.05012	0.3
123.00884	1.4
124.01678	3.1
125.02534	0.7
133.02896	0.4
135.04530	1.1
136.01671	14.2
137.02023	0.5
147.04515	0.7
151.00375	4.9
152.01154	5.9
155.05037	0.4
156.50215	0.4
164.01166	31.2
165.01733	1.4
171.04456	0.4
175.04012	1.0
177.01950	0.9
185.06088	1.1
189.05533	1.1
196.00145	14.8
197.00465	0.9
198.76054	0.3
199.04036	3.0
201.05647	0.4
205.08766	0.5
213.05586	1.0
215.03471	1.5
217.05069	1.2
227.07072	0.6
229.05080	0.8
229.08681	0.4
231.06654	0.4
237.15085	0.4
241.05087	0.7
243.02972	0.8
253.17964	0.9
255.06599	0.7
257.04510	1.8
258.05234	0.8
271.06195	2.3
271.19153	0.5
272.06674	0.5
273.07681	2.9
281.04532	0.7
285.04034	5.7
286.04254	0.5
299.05615	4.3
300.03043	0.4
300.06412	6.9
300.09702	0.3
301.06778	0.5
315.08759	100.0
315.17990	2.3
315.67175	0.5
316.09055	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	315.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43404	0.5
59.01389	0.5
62.20469	0.5
65.03967	0.6
66.91647	0.6
70.17862	2.4
71.01380	1.8
75.62360	0.6
78.20421	0.5
78.95915	1.8
81.03460	1.2
85.02954	1.7
93.03421	0.7
95.01389	1.1
98.20035	0.6
101.02463	0.9
108.02182	100.0
109.02977	44.0
110.03300	1.3
113.02445	0.7
120.11993	0.5
121.02968	1.2
123.00850	0.7
123.04521	0.7
133.02974	0.9
135.00957	0.6
141.05568	0.9
151.04013	1.1
152.01161	67.2
152.87590	0.7
153.01955	34.6
154.02245	1.4
163.04039	1.0
165.01981	2.4
173.04619	0.7
198.90620	1.2
205.66573	0.6
225.04124	0.7
260.86145	2.1
278.87186	5.9
279.66058	0.6
286.21716	0.5
296.88199	2.2
315.07233	81.7
316.07529	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	315.0877
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
53.24521	0.3
59.83238	0.3
63.02407	2.8
65.00329	2.8
69.33199	2.9
75.00886	0.5
80.02686	2.8
83.01395	3.4
84.40844	0.3
85.02961	0.3
95.01402	0.7
98.55148	0.4
102.33386	0.4
107.01398	7.6
107.02067	0.6
108.02186	16.5
109.02527	0.4
119.55049	0.3
123.00888	1.0
124.01677	3.4
125.02474	0.9
133.02921	0.8
135.04530	1.0
136.01669	15.6
137.02034	0.5
147.04495	0.5
151.00366	4.3
152.01173	5.9
155.05051	0.4
161.06004	0.4
164.01164	34.1
165.01617	1.8
171.04498	0.6
175.03949	1.7
177.01961	1.3
185.06087	0.9
187.04016	0.7
189.05540	1.0
196.00128	13.4
197.00406	0.5
199.04019	3.5
200.04449	0.4
205.08743	0.9
213.05592	1.0
215.03458	1.7
217.05063	0.7
227.07004	0.8
229.05054	0.8
229.08597	0.4
241.04994	0.7
257.04541	2.4
258.05261	0.9
271.06104	2.7
271.19235	0.4
273.07642	3.0
281.04721	0.6
285.04056	5.8
286.04291	0.4
299.05563	4.3
300.02951	0.5
300.06390	7.5
301.06866	0.4
315.08755	100.0
315.69348	0.5
316.09070	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2751
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.87064	0.3
57.03456	11.7
59.01341	0.3
62.66040	0.3
67.13823	0.3
69.03460	3.8
69.49622	2.4
72.37128	0.3
74.99102	0.3
84.79796	0.3
91.02193	0.9
103.65055	0.3
192.37021	0.3
251.23875	1.5
267.26953	48.9
268.27365	3.9
295.26410	2.2
296.26819	0.4
311.25958	0.9
313.27518	100.0
314.27869	9.8
325.58362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.67752	0.5
56.28741	0.5
59.01376	0.9
69.76155	2.9
71.01383	1.9
73.02930	0.8
78.95874	0.6
81.03470	1.4
85.02964	2.0
93.03448	0.7
95.01391	1.0
101.02442	0.8
108.02184	100.0
109.02977	39.1
109.03570	0.4
110.03304	1.3
113.02450	0.8
121.02899	0.9
123.00901	0.8
123.04599	0.9
151.04030	1.3
152.01166	64.9
153.01956	31.0
154.02271	0.7
163.04022	1.4
165.01913	1.9
191.57172	0.5
207.02963	0.6
225.04007	0.7
278.87177	1.0
314.32620	0.7
315.07242	82.9
316.07513	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	315.0725
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
70.87891	1.5
71.01389	2.6
73.02945	0.5
81.03470	0.5
85.02963	1.5
95.01396	0.9
99.00902	0.6
101.02451	1.2
102.64115	0.5
107.05018	0.4
108.02184	100.0
109.02985	30.0
110.03294	0.6
113.02441	1.4
121.02961	0.9
123.04529	0.7
133.02960	0.6
151.04018	1.8
152.01169	68.4
153.01965	25.1
154.02364	0.7
163.04051	1.3
165.01929	2.2
174.30014	0.6
195.03047	0.7
220.14670	0.5
220.21724	0.5
221.69331	0.6
284.03964	0.5
315.07239	77.5
316.07568	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.48504	0.2
59.01369	0.6
71.01366	0.2
84.73415	0.2
91.16375	0.2
91.51887	0.2
97.06579	0.6
98.20702	0.3
99.00876	0.3
101.92876	0.2
102.26663	0.2
121.02966	0.3
123.08179	0.2
125.09709	1.7
127.11307	1.1
137.09642	0.2
139.11302	0.6
141.12822	0.2
155.10783	5.8
155.14493	0.2
156.11108	0.4
157.12318	0.6
171.10284	6.1
172.10620	0.2
213.14937	0.2
227.16415	0.2
249.22261	0.3
251.20171	2.9
252.20471	0.3
265.21561	0.2
267.19733	2.1
269.21106	0.5
277.18207	0.3
277.21695	1.1
295.19189	1.8
295.22736	11.7
296.23019	1.0
298.04727	0.6
311.22232	1.1
313.20334	8.7
313.23822	100.0
314.20569	1.0
314.24164	8.9
314.27905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2751
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
59.01123	0.7
59.01387	9.0
70.19257	0.7
71.56559	0.8
96.59264	0.8
109.22420	0.8
110.87627	0.7
121.02956	1.0
169.46028	0.8
182.55211	0.8
185.00653	1.1
223.20605	1.6
242.02280	1.0
253.21552	1.0
267.19666	1.8
267.26880	3.0
269.24896	2.2
271.22720	2.2
278.77136	0.8
283.02689	1.0
295.22861	1.0
295.26410	1.8
298.04913	1.3
313.03583	2.6
313.06998	1.5
313.17197	4.0
313.23901	10.8
313.27460	100.0
314.24402	1.4
314.27811	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	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
54.81706	0.2
57.03444	0.4
59.01378	0.7
61.04141	0.3
61.86417	0.3
71.01385	0.3
86.32451	0.2
97.06624	0.3
125.09752	0.6
127.11338	1.2
139.11256	0.6
141.12833	0.5
155.10768	3.2
157.12363	0.5
168.18388	0.3
171.10265	5.0
261.20181	0.2
265.21640	0.3
267.20377	0.2
267.23297	0.8
269.21207	1.1
277.21765	0.7
293.21036	0.3
295.19418	0.5
295.22794	7.2
296.22861	0.6
311.22272	1.1
313.23843	100.0
314.24179	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	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03441	0.7
59.01374	1.0
68.67218	0.3
71.01377	0.5
71.05020	0.6
83.05024	0.3
97.06583	1.1
99.00917	0.3
100.64236	0.3
123.97555	0.3
125.08926	0.4
125.09741	4.2
127.11314	0.7
136.01878	0.3
139.11295	0.7
141.12820	0.4
144.27792	0.3
155.10788	6.0
157.12334	0.5
171.10287	6.2
183.13945	0.3
233.18968	0.4
249.18492	0.4
249.22305	0.3
251.20155	6.1
252.20493	0.5
253.18138	0.4
267.19620	2.2
268.20001	0.3
269.21234	0.9
277.18088	0.5
277.21603	0.7
295.19095	3.9
295.22726	12.0
296.19556	0.4
296.23132	1.3
298.04785	0.5
311.22272	0.8
311.86322	0.3
313.20212	17.1
313.23788	100.0
314.20480	1.5
314.24142	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03449	0.5
59.01357	0.3
68.18509	0.2
69.08540	0.3
69.92184	0.3
70.97551	0.8
79.83811	0.3
80.92699	0.3
84.31312	0.3
84.99010	0.3
87.83498	0.3
96.60852	0.3
98.19782	0.3
123.19390	0.3
249.22256	1.0
251.23808	70.9
252.24155	6.0
269.24899	2.1
295.22794	26.9
296.23126	2.6
313.23859	100.0
314.24210	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	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01394	11.0
61.68074	2.1
67.89555	1.9
75.00861	3.0
78.78806	1.9
83.05063	2.7
98.19834	3.4
102.81007	2.0
104.62865	1.9
121.03013	2.3
184.78316	2.2
185.00784	3.7
216.40732	2.2
229.04329	2.2
237.22261	64.5
238.22614	4.8
251.23773	5.2
253.21716	3.7
269.24890	47.0
270.25311	4.2
281.21255	53.3
282.21509	4.3
283.02536	5.2
295.22980	3.5
298.04822	4.8
299.22293	2.6
313.03580	5.0
313.07111	4.1
313.16766	7.4
313.23840	100.0
313.27478	24.9
314.24149	6.9
314.27713	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00594	1.1
59.01382	1.3
60.45419	0.3
69.43398	1.7
69.43804	1.0
75.00904	0.9
77.52808	0.4
108.55094	0.4
121.03039	0.4
170.78937	0.4
235.65280	0.4
237.22253	1.7
239.23798	3.3
240.24316	0.4
251.23853	1.1
255.19731	0.6
265.21744	0.7
267.23340	4.8
268.23520	0.4
269.25021	0.5
283.22733	4.6
295.22763	2.3
298.04916	0.9
311.22278	2.1
313.17856	5.4
313.23862	100.0
314.18524	0.4
314.24213	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.17794	0.6
59.01387	100.0
60.01711	0.6
67.84946	0.6
70.78634	1.7
74.44180	0.7
74.99088	0.9
107.68336	0.7
126.92818	0.8
154.25989	0.8
173.37450	0.6
223.02861	6.8
224.02994	0.8
225.22247	1.2
253.21779	5.5
254.22209	0.7
271.22794	43.9
272.23172	3.2
273.94357	0.6
298.04752	1.3
313.03674	0.8
313.07593	0.8
313.20203	1.2
313.23874	21.4
314.24362	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05355	0.6
59.01382	1.5
69.19884	1.3
69.20288	4.9
81.03453	4.5
83.05032	15.0
87.57317	0.6
91.86929	0.6
99.08092	0.6
106.43850	0.6
121.02966	14.4
122.03373	0.7
123.08130	1.4
125.09748	2.6
157.08736	0.7
167.14429	15.3
171.10294	1.0
181.06587	1.1
211.13394	19.5
212.13771	1.1
223.20592	0.9
225.05492	0.8
227.03438	1.0
229.12292	1.2
229.14439	11.0
233.19173	2.1
239.16736	0.9
241.01370	0.8
242.02245	1.5
243.02888	1.3
249.18588	0.7
251.20171	14.2
253.18143	0.9
255.02936	0.8
257.04486	0.6
267.19650	9.4
269.21191	4.5
270.01819	1.3
271.02536	2.0
277.18039	4.3
283.02466	1.5
285.03998	0.7
285.20673	1.5
295.19153	19.0
295.22504	1.0
296.19531	1.8
298.04926	1.9
313.03610	2.5
313.07382	2.1
313.20251	100.0
313.23651	6.4
314.04367	1.5
314.20560	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29403	0.5
56.20085	0.5
59.01394	2.9
68.33479	0.5
71.05038	1.0
71.22298	1.2
71.91045	0.6
78.54440	0.5
81.17369	0.5
83.05012	0.7
120.28683	0.5
190.49423	0.5
207.17627	0.5
209.19127	3.2
223.20697	5.0
225.18700	0.6
233.19125	2.8
235.17026	0.7
239.20491	0.5
249.18625	0.5
251.20183	14.8
252.20546	1.3
253.18156	2.7
263.49362	0.6
267.19705	3.3
269.21228	15.7
270.21655	1.6
277.18103	18.2
278.18494	0.7
295.19165	35.2
296.19412	2.5
298.04858	0.7
302.47549	0.5
313.20245	100.0
313.23599	5.4
314.20557	7.1
314.23874	0.9
326.49930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99609	0.8
54.53991	0.6
62.14378	0.6
70.06388	3.5
71.05013	0.9
98.19972	0.8
99.00903	3.0
104.30309	0.6
110.03735	1.7
116.78166	0.7
142.02638	0.9
152.44334	0.7
195.17586	5.0
207.10100	1.0
217.97920	0.7
225.22305	1.0
233.19145	2.4
251.20178	15.3
252.20711	1.3
267.19742	2.3
269.21277	12.0
270.21640	1.2
277.18109	39.3
278.18448	3.5
295.19177	34.6
295.21957	1.2
296.19534	2.2
296.22827	0.8
309.65576	0.7
313.20288	100.0
313.23868	11.7
314.20584	6.9
314.23895	1.1
323.86121	0.7
332.47681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50805	0.5
57.03440	0.9
57.81188	0.5
59.01373	1.6
71.81928	0.5
75.00878	0.8
83.04998	0.5
87.89358	0.4
111.48231	0.5
138.83165	0.5
152.88463	0.4
168.62514	0.4
177.18103	0.5
178.91656	0.5
201.11394	1.1
209.19093	1.8
223.20639	1.0
225.22272	1.1
229.50581	0.6
239.20146	1.0
251.20160	2.7
255.19530	0.7
266.74185	0.5
267.23370	1.1
269.21240	100.0
270.21603	7.6
285.20703	3.3
295.22711	0.8
298.05054	0.7
313.20212	8.3
313.23825	11.0
314.20688	0.9
314.24222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0932
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01879	1.0
57.03460	0.7
59.01389	2.6
70.85303	0.6
70.85627	0.6
71.01392	16.4
73.02948	5.5
77.80379	0.4
79.69184	0.4
83.01406	1.3
85.02957	6.9
87.00896	0.5
89.02472	0.8
95.01405	1.5
99.00894	1.8
101.02454	8.1
107.05041	100.0
107.39580	0.4
108.05360	2.4
113.02462	6.8
128.91753	0.5
129.02029	0.5
143.03500	0.7
151.04012	6.4
159.03003	2.0
161.04573	8.2
174.98378	0.5
199.62744	0.4
208.92751	0.5
313.09418	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	313.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65398	0.4
57.03452	0.6
59.01386	4.2
69.03485	0.5
70.05566	2.1
71.01389	17.2
73.02956	5.3
75.00869	0.6
75.40538	0.4
83.01399	1.6
85.02958	6.7
87.00870	0.6
89.02457	1.2
95.01403	1.1
99.00895	1.9
101.02452	8.5
107.05038	100.0
108.05365	3.2
113.02472	6.9
119.03523	0.5
119.22720	0.4
143.03482	1.2
151.04012	8.5
159.03015	1.2
161.04584	8.9
169.45027	0.5
203.85533	0.4
242.92967	0.5
264.23831	0.5
268.15082	0.4
295.43796	0.4
313.09344	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	311.2595
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
50.80872	0.8
57.03459	6.2
59.01389	7.0
69.03457	3.2
69.79573	0.9
71.05031	5.7
75.00877	8.9
79.95773	1.1
83.05037	1.2
119.05053	1.2
122.57497	1.0
183.01237	28.2
184.01837	2.1
197.02776	1.7
216.00955	1.8
225.60487	1.1
234.51010	1.1
239.23859	1.9
251.23804	3.0
253.21698	2.7
265.25262	1.6
267.26990	15.9
268.27353	2.7
293.24893	3.6
296.03464	1.3
311.16919	57.3
311.25943	100.0
312.17316	7.5
312.26297	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	311.2594
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
51.41165	0.3
55.16215	0.3
57.03437	0.9
59.01381	2.4
67.14806	0.2
70.59589	0.7
79.95766	0.4
98.95626	0.4
119.05022	0.3
132.56090	0.3
135.08156	0.7
149.09763	0.4
170.00453	0.3
183.01215	11.5
184.01924	1.0
197.02721	0.5
213.18466	0.4
216.01009	0.5
251.11270	0.4
251.23830	1.2
267.23453	0.4
267.26904	1.1
296.03201	0.6
311.05591	0.6
311.16904	21.1
311.25925	100.0
312.17285	1.8
312.26263	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	311.2595
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
51.76613	0.6
54.10400	0.6
59.01378	4.5
59.26805	0.7
70.04382	2.4
71.01434	0.7
79.99146	0.6
80.04311	0.6
87.52525	0.6
113.65366	0.6
127.77569	0.6
156.53384	0.7
183.01210	19.5
184.01768	2.0
196.17471	0.7
197.02721	1.2
216.00995	1.0
249.22203	0.7
251.11470	1.0
265.25281	1.3
267.23337	1.1
267.27026	1.9
293.24957	2.0
296.03271	1.1
311.05771	1.3
311.16904	39.8
311.25928	100.0
312.17120	3.7
312.26236	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	313.0721
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.96923	0.3
54.01355	0.2
57.03441	0.3
59.01380	4.3
77.03990	0.3
87.58575	0.3
93.03470	0.5
98.20770	0.5
106.03309	0.3
111.08175	0.6
121.02969	100.0
122.03305	2.9
125.09732	1.1
157.08731	0.6
173.11888	0.5
180.05792	1.0
181.06604	4.8
225.05602	6.6
226.05771	0.5
241.18117	0.6
251.20232	0.9
253.45218	0.3
267.19742	0.4
277.18231	0.6
278.71271	0.3
283.02518	0.3
295.19156	0.8
298.04800	0.6
313.03879	0.6
313.07181	14.5
313.20203	7.0
313.23862	2.4
314.07538	0.9
314.20590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01384	6.6
60.87447	0.8
69.03493	1.2
69.54779	0.8
69.56420	2.4
69.56847	2.7
79.95765	2.1
98.95617	0.9
101.47587	0.7
118.75827	0.7
124.17837	0.9
161.04564	0.7
165.75151	0.7
170.00378	1.1
183.01215	50.4
184.01932	5.4
197.02800	2.2
197.54659	0.7
207.64908	0.8
216.01044	3.8
249.22290	1.5
251.11395	1.1
267.23325	47.2
268.23669	3.8
283.22849	1.2
293.21243	3.3
296.03281	1.4
311.16876	100.0
311.22290	50.0
311.25937	7.2
311.29025	1.2
312.17264	10.3
312.22668	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	311.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65361	1.2
57.03456	4.9
59.01387	9.0
63.18639	1.2
68.25781	1.2
69.03461	2.8
71.05027	5.0
71.55079	2.1
79.95742	1.6
118.72392	1.2
176.37651	1.2
183.01222	41.3
184.01874	3.2
197.02797	1.6
239.23831	2.0
246.30539	1.2
251.23811	1.8
265.25500	1.4
267.26981	15.4
268.27307	1.5
293.24872	4.6
311.05722	1.5
311.16904	77.8
311.25928	100.0
311.29266	4.0
312.17218	5.8
312.26266	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.95180	1.1
57.03444	1.8
59.01384	16.4
61.98824	1.2
69.03477	1.3
71.05009	1.9
73.02956	1.1
75.03980	0.9
75.88015	1.0
83.05014	1.3
97.02944	2.5
99.08177	1.9
104.11362	1.1
111.08131	1.2
113.09677	3.3
121.02993	1.3
121.10239	1.7
121.97398	0.9
129.09190	2.6
139.11340	5.4
141.87781	1.1
167.10887	1.2
167.95433	1.0
171.10254	15.9
181.12334	1.8
183.01222	2.4
185.11819	1.4
193.12352	8.3
197.11818	2.1
211.13460	8.6
223.20622	2.1
239.20190	2.7
249.22215	1.5
251.11349	1.8
264.20303	1.2
267.19699	2.3
267.23343	4.0
283.22842	1.7
293.21234	19.1
294.21674	1.9
296.03271	3.6
311.05554	1.9
311.18860	3.8
311.22269	100.0
312.22543	8.3
324.06784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03450	3.3
59.01381	5.1
71.01395	0.8
83.05030	1.9
96.90752	0.9
97.02948	1.2
97.06603	1.6
99.08168	1.6
105.02058	0.9
113.09749	5.0
121.10239	3.2
125.09766	2.0
127.11266	2.1
137.09764	1.6
139.11307	23.8
147.53352	0.8
153.09140	1.1
155.10732	1.8
165.09206	0.9
165.12776	0.9
167.10753	1.0
171.08801	2.0
171.10289	35.6
172.10634	1.1
185.11821	3.5
193.12215	1.6
201.11259	1.3
211.13393	4.2
229.69342	1.0
241.18080	1.3
253.18057	2.2
264.65842	1.0
275.20230	2.8
283.07925	1.1
293.21240	30.2
294.21603	1.8
311.22308	100.0
312.22696	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01381	5.7
61.32467	0.5
66.12541	0.5
69.03431	0.7
69.26069	4.5
71.01378	0.6
98.19867	1.0
128.94000	0.5
141.12860	1.1
149.89117	0.5
161.04553	0.6
177.56810	0.6
183.01271	3.1
197.02789	2.4
209.29376	0.5
249.22227	34.4
250.22586	3.2
251.11339	0.8
265.21735	1.5
267.23312	17.9
268.23611	1.2
269.04300	0.6
275.94574	0.6
283.22943	0.7
293.21252	16.6
294.21616	1.5
296.03189	1.9
311.05713	1.7
311.17123	9.7
311.22296	100.0
312.17346	1.3
312.22620	8.4
316.47296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01369	2.4
59.58643	0.7
70.11923	3.6
93.84028	0.8
98.20573	1.2
101.02544	0.7
129.32932	0.7
140.73538	0.8
183.01215	13.3
184.01784	0.7
197.02777	4.4
249.22240	29.5
250.22586	1.9
267.23312	100.0
268.23624	8.0
293.21140	5.2
311.16837	30.7
311.22263	61.2
311.25552	1.6
312.17151	3.0
312.22684	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03453	3.0
59.01386	2.6
69.51604	1.2
70.19664	1.1
70.83635	2.3
75.64805	1.1
90.28705	1.1
90.68034	1.2
99.08169	1.2
101.45824	1.0
112.71764	1.4
121.10272	2.2
125.09734	3.5
127.11322	5.0
137.09753	1.7
139.11293	15.0
155.10803	2.6
171.10283	82.7
172.10590	3.0
183.10323	7.4
185.11855	18.5
193.12337	1.9
201.11314	12.4
240.04938	1.2
275.20190	6.9
293.21271	28.4
294.21582	2.5
311.22287	100.0
312.22571	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.80740	1.2
57.03452	2.1
59.01394	10.0
69.34947	2.9
69.35364	7.2
69.80505	1.0
71.01369	1.3
88.88793	1.1
94.16460	1.0
97.06667	1.1
98.20641	2.4
99.52965	1.1
125.09705	3.2
127.11270	5.5
137.09737	1.6
139.11324	11.0
141.12842	1.8
155.10794	3.4
169.12256	1.3
171.10287	57.6
172.10632	3.4
183.10327	3.9
185.11865	8.2
197.11754	3.5
201.11337	10.1
211.13411	3.6
249.22284	3.8
251.11327	1.7
267.23193	2.6
275.20190	4.9
293.21271	24.8
294.21371	1.4
311.22290	100.0
312.22641	7.6
319.29465	1.1
332.23477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56334	0.9
58.00579	1.4
59.01384	100.0
62.86630	1.0
66.98024	0.9
70.02659	3.5
71.01385	13.8
73.02943	3.4
83.01368	1.6
85.02954	6.9
87.50095	0.9
89.02453	7.3
93.03455	6.9
95.01363	1.1
96.96025	1.3
98.20622	1.2
99.00861	1.8
101.02464	11.5
113.02445	4.5
119.03421	1.2
137.02449	12.4
142.16042	1.0
159.02960	1.5
161.04558	9.6
173.04517	9.7
191.05623	7.2
251.11392	18.5
266.80792	1.2
311.09753	5.5
311.12976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Methynolide
Peak:m/z	Relative Intensity
57.03369	1.1
58.00525	0.8
59.01308	1.2
59.12823	0.7
67.05686	0.7
69.03368	0.8
70.01466	2.9
70.24063	0.6
89.54634	0.7
97.21964	0.7
98.20536	0.9
183.13837	2.0
195.17447	2.3
201.11372	1.5
223.20708	2.8
249.18530	3.8
267.19672	100.0
268.20004	6.8
293.17633	5.1
293.21082	1.8
311.18741	72.3
311.22318	11.4
312.19159	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49598	0.5
53.77094	0.7
59.01321	1.8
62.36058	0.5
70.59312	0.6
70.59641	1.4
77.04482	0.5
86.02586	0.5
117.49271	0.6
127.43790	0.6
183.01195	2.4
192.04453	0.6
197.02771	1.0
207.11198	0.5
230.22635	0.6
249.22229	27.5
250.22531	2.3
259.16742	0.5
265.21741	0.9
267.23291	100.0
268.23615	7.8
275.19736	0.6
293.21179	2.6
311.17059	6.4
311.22318	48.2
311.25854	4.8
312.17508	0.6
312.22678	5.1
312.26184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01731	1.7
70.61528	2.6
71.01390	13.8
72.99350	0.9
73.02962	3.1
83.01428	1.5
85.02957	6.1
87.00880	1.0
89.02435	7.5
91.48324	0.8
93.03471	10.5
95.01417	1.4
96.96031	2.2
99.00916	1.3
101.02446	12.7
108.16367	1.0
113.02458	5.1
119.03533	2.7
127.62689	0.9
136.01746	0.9
137.02464	13.7
159.02917	1.2
160.36247	0.9
161.04573	9.9
173.04573	12.7
179.86902	1.0
186.53084	1.2
191.05640	10.4
225.88885	1.0
251.11368	21.3
311.09546	7.8
311.13120	5.5
311.29227	1.2
325.27484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03441	1.4
58.00586	1.5
59.01383	70.7
62.52001	0.9
69.03449	3.9
69.19141	6.1
69.19563	3.5
69.78523	1.0
71.01383	35.0
72.99304	1.9
73.02953	4.1
75.00867	2.7
83.01392	1.5
85.02958	7.8
87.00884	1.1
87.04519	1.5
89.02451	50.0
95.01383	2.3
101.02450	22.1
101.03106	1.4
107.06888	0.9
113.02457	14.8
119.03503	17.1
126.70985	1.4
131.03508	2.8
137.02426	1.4
143.03526	2.1
149.04572	3.0
161.04579	1.5
179.05542	2.7
293.08887	1.5
311.09848	100.0
312.10220	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	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
52.85171	11.0
59.01388	100.0
66.16077	12.0
70.44157	10.9
71.01404	73.6
89.02463	68.6
91.88312	12.5
95.26794	13.3
98.19857	22.4
101.02437	47.0
126.67068	12.9
131.03474	32.6
149.04520	32.7
166.23820	10.5
191.05603	17.8
199.08466	11.2
229.48743	15.8
239.38515	14.0
296.06406	21.7
311.05658	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.65281	10.5
59.01388	100.0
62.34126	10.1
65.44810	9.8
66.86205	10.3
67.16997	9.7
71.01380	69.2
71.56915	14.7
72.99298	11.0
76.45125	10.4
77.06025	9.5
81.46242	12.3
83.36086	10.0
85.02982	10.7
87.00906	13.0
89.02451	99.3
93.03472	14.2
96.96004	22.3
101.02436	62.9
113.02438	21.8
124.09555	12.2
131.03532	36.2
137.02463	15.9
149.04553	34.8
173.04568	31.0
191.05550	26.6
306.24399	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	311.0987
Annotation	Vicianose
Peak:m/z	Relative Intensity
58.00595	2.0
59.01386	73.0
63.94910	1.2
69.03452	5.7
69.68144	5.9
71.01389	35.3
71.01781	1.9
72.99317	2.2
73.02958	3.1
75.00867	3.2
77.92970	0.8
83.01373	2.7
85.02956	6.1
87.00883	1.6
87.04530	1.1
89.02452	51.6
95.01399	1.4
98.20634	1.6
101.02457	27.3
113.02472	14.2
119.03522	16.6
126.64363	1.1
131.03497	5.6
143.03537	1.7
149.04526	3.1
161.03229	1.1
161.04480	1.7
179.05618	2.4
311.09863	100.0
312.10168	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95283	0.5
59.01389	4.5
67.01898	1.6
71.01388	2.3
73.02950	0.5
75.77930	0.5
76.82155	0.6
81.35954	0.6
85.02975	0.8
87.00842	0.7
89.02454	1.9
92.82799	0.6
93.03470	55.0
94.03791	1.6
99.00890	1.0
101.02490	1.2
109.02988	0.7
111.04515	1.7
113.02455	0.8
117.03474	1.6
131.03549	1.1
133.02979	0.7
134.03766	17.9
135.02957	1.6
137.02461	100.0
138.02776	3.4
149.06100	2.2
155.03554	1.7
163.20866	0.6
173.04567	42.5
174.04936	1.7
178.63925	0.6
193.05077	15.6
196.84001	0.6
221.17300	0.6
243.38905	0.6
281.09399	0.8
293.09418	0.7
311.10678	1.8
311.15039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02022	0.5
50.70647	0.5
58.33088	0.5
59.01377	2.0
69.35619	0.8
69.36034	3.1
71.01385	1.6
83.07829	0.5
89.02472	0.5
93.03467	49.3
94.03806	0.7
98.17107	0.5
101.02442	0.6
111.04536	0.8
113.02481	0.6
119.05044	1.3
126.35184	0.6
135.04529	0.5
137.02458	100.0
138.02785	3.3
142.20308	0.6
155.03561	0.9
163.04016	2.0
165.04124	0.7
173.04558	7.7
173.69502	0.6
267.06729	1.5
288.82928	0.5
311.05344	0.8
311.11230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.00577	1.2
59.01384	30.4
67.01878	3.1
69.03456	2.2
71.01011	1.2
71.01389	19.5
71.55183	1.1
72.99324	1.1
73.02946	3.9
75.00838	0.8
83.01390	1.4
83.05025	1.0
85.02970	4.6
87.00867	1.8
89.01965	0.6
89.02448	21.5
93.03466	52.1
94.03773	1.4
101.02450	11.5
111.04517	3.8
113.02468	7.0
119.03516	8.2
123.36305	0.7
123.97272	0.7
131.03522	4.0
136.50453	0.7
137.02455	100.0
138.02811	3.3
149.04626	1.4
155.03516	2.5
173.04556	52.2
174.04919	1.2
179.05585	1.6
191.05623	16.6
288.51187	0.7
311.09946	46.9
312.10394	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29027	0.4
55.45811	0.4
59.01384	8.7
60.03427	0.4
62.78669	0.4
64.17360	0.4
66.80841	0.4
68.21974	0.6
68.47211	0.4
70.04857	2.0
71.01379	0.7
73.96877	0.4
78.45621	0.4
85.02991	0.9
93.03465	37.3
94.03799	1.3
103.71364	0.4
111.04509	2.2
137.02455	100.0
138.02809	3.0
155.03554	2.1
173.04573	10.3
191.05635	6.6
311.07718	2.5
326.22366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45633	0.4
59.01374	3.4
67.01901	0.5
71.01396	2.5
71.56108	0.6
73.02946	2.4
74.71964	0.4
85.02995	0.7
87.00884	1.8
89.02437	1.2
93.03452	2.3
99.00906	0.7
101.02470	1.1
103.03986	0.5
119.05038	56.9
120.05367	1.9
127.04082	0.4
135.04555	0.9
135.08095	0.4
137.02444	1.1
142.01736	0.5
149.02382	0.6
149.04529	0.8
163.04019	100.0
164.04381	4.1
165.04037	1.0
173.04558	2.0
229.54453	0.8
241.38028	0.5
249.05339	0.6
249.11223	0.5
251.11400	0.7
257.63156	0.4
266.51245	0.5
311.05124	0.7
311.08075	0.7
311.11194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.8
71.01379	3.5
71.54638	1.1
83.01389	1.1
85.02964	2.4
87.00887	1.2
89.02477	1.9
93.03469	55.3
94.03806	2.0
96.10630	0.7
96.95993	0.8
99.00890	2.4
101.02477	1.9
109.02955	4.5
109.03615	0.6
111.00887	1.2
111.04532	0.8
113.02361	0.6
119.05036	28.6
120.05366	1.1
121.02954	0.9
123.04539	1.3
134.03793	1.4
134.42917	0.7
135.04517	3.2
137.02457	100.0
138.02815	2.3
142.01654	1.3
142.30692	0.7
142.51854	1.4
147.03011	2.8
149.02417	1.6
149.04539	1.1
149.06125	1.4
150.09329	0.7
161.02429	0.7
161.04538	0.7
163.04025	50.4
164.04402	1.7
165.03996	2.2
165.05388	0.6
173.04559	7.6
177.05676	3.2
177.06946	0.7
191.05646	1.0
193.05054	0.9
208.74040	0.7
213.05725	0.8
221.04504	7.8
229.54535	3.3
230.04486	0.9
265.05167	0.9
267.06613	2.1
285.03900	1.1
286.04468	1.4
296.03085	0.7
309.04199	0.8
311.05154	1.4
311.07861	2.5
311.11008	1.7
311.29803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64818	1.2
70.10788	2.9
70.11182	2.8
70.67629	1.2
83.53208	1.3
99.00874	1.7
110.03759	3.4
119.53676	1.6
121.10229	4.0
125.09711	2.3
127.97704	1.5
142.02730	2.6
162.57256	1.3
171.10258	4.0
185.11812	3.0
209.19177	2.4
247.20682	6.4
265.21716	31.6
266.22000	2.2
273.18546	1.9
275.20090	2.5
281.21198	2.5
281.61679	1.4
291.19687	72.6
292.19962	6.2
309.20721	100.0
310.20990	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2438
Annotation	Litsenolide C1
Peak:m/z	Relative Intensity
52.04493	0.6
55.87725	0.7
57.03450	2.3
59.01389	2.3
64.04498	0.6
67.01900	0.8
69.03468	3.1
69.87863	1.5
69.88251	1.9
77.48406	0.6
79.95751	1.9
83.05037	12.6
85.06609	6.7
93.03469	1.1
94.73941	0.7
96.96020	14.3
98.19987	1.3
99.00932	0.9
104.75879	0.6
109.06606	3.1
137.09723	0.9
151.04044	1.9
151.07669	4.2
152.08444	2.6
166.03644	0.7
209.15483	4.8
223.20676	2.4
227.20155	4.7
249.22270	4.8
263.24014	0.9
265.25381	100.0
266.25720	7.9
291.16156	0.7
291.23401	2.1
309.17368	24.6
309.24371	42.8
310.17590	2.0
310.24716	3.3
311.33566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24753	1.5
59.01379	4.7
67.01900	2.9
69.03453	1.9
69.45925	5.0
69.46358	7.1
71.05009	3.3
80.02673	10.5
81.03459	4.6
83.04590	2.4
83.05039	34.3
84.02179	11.6
95.05042	2.9
96.96008	1.9
97.06578	5.0
99.08169	8.5
109.06582	4.3
115.07611	7.5
123.04494	4.1
123.08173	3.4
125.09711	7.5
127.11302	6.3
128.66084	1.9
137.09732	51.6
138.10048	2.2
139.11316	8.8
148.05298	9.7
151.03972	4.6
151.07608	6.0
151.11253	5.4
152.08391	5.1
153.09180	6.4
155.10791	57.6
156.11122	1.7
167.10776	5.6
169.12250	1.7
171.10292	52.9
180.04297	17.3
193.12334	25.2
195.13940	2.9
208.16501	1.8
209.11891	3.1
209.15475	9.8
210.03345	1.8
211.13361	5.1
247.20602	8.0
254.36839	1.8
263.20126	7.7
265.17792	1.8
265.21814	9.7
273.18484	3.2
291.19684	100.0
292.19952	9.7
309.17075	12.6
309.20679	86.2
309.24130	7.8
310.20959	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	3.0
58.84206	1.6
59.01384	3.6
59.66698	1.8
69.03461	4.3
70.18092	4.5
70.18489	3.8
71.01367	2.3
83.40540	2.0
94.04804	1.9
105.26615	1.9
107.08657	2.4
111.08134	1.7
119.08679	27.1
125.09725	10.5
127.11292	3.0
135.08151	3.7
137.09723	42.7
139.77924	1.9
151.03979	2.8
151.07634	4.4
152.08369	4.3
155.10744	5.6
157.42206	1.9
167.10768	6.9
171.10271	100.0
172.10643	4.4
183.10222	5.0
185.11853	29.7
195.10239	4.3
197.11778	4.4
201.11269	7.3
209.15323	5.0
213.11337	12.1
229.19574	4.0
230.38733	1.9
236.74718	1.8
273.18631	11.4
291.19653	40.5
292.19940	4.9
309.17038	12.9
309.20679	66.9
310.20923	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03449	2.0
58.00595	1.9
59.01376	2.8
63.50942	1.2
69.03458	4.8
83.05027	1.9
93.03448	1.9
107.08689	1.8
108.05830	2.2
110.89888	1.5
111.08181	2.0
119.08682	14.4
121.10245	1.5
125.09740	7.3
127.11274	2.6
135.08183	2.8
137.08771	2.3
137.09734	28.5
138.10062	1.1
139.11295	2.4
147.08061	1.1
149.09734	1.5
151.07639	1.5
151.11250	1.7
152.08408	2.0
153.09210	1.8
155.10780	3.3
167.10771	4.6
171.10289	100.0
172.10580	3.6
183.10255	6.9
185.11847	25.0
186.12320	1.4
195.10153	2.5
197.11836	4.1
201.11295	6.3
211.13379	2.8
213.11346	8.3
263.19925	1.5
265.18073	1.4
273.18695	8.4
291.19684	36.9
292.19974	2.4
309.17035	5.8
309.20667	37.3
310.21021	2.4
324.17169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03454	1.5
59.01372	3.6
62.06326	1.2
67.01878	2.4
71.00753	2.5
71.01077	1.4
74.96098	1.0
77.62592	1.1
86.43055	1.2
95.05038	1.3
96.97257	1.0
97.06615	1.5
107.03250	1.3
111.08159	1.5
112.03432	1.2
121.10257	9.5
125.09727	8.3
137.09732	3.7
167.14409	2.3
171.10258	6.5
185.11847	9.9
197.11812	1.7
209.11902	1.7
209.15486	1.8
211.13411	62.0
212.13721	3.4
249.18559	3.9
265.18085	2.3
273.18539	2.2
291.19690	100.0
292.19977	6.2
309.17065	3.4
309.20740	16.8
310.20963	2.5
315.32315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.02055	1.0
51.31355	1.0
59.01387	1.4
63.86463	1.0
69.03454	4.8
83.05054	3.8
85.02956	3.5
95.01386	2.1
97.02961	48.6
97.03590	2.5
98.03269	1.8
99.00893	8.1
111.08160	2.0
119.08649	3.7
125.09692	2.8
137.09738	20.3
141.14160	1.2
151.04025	24.2
151.06444	1.5
151.07654	29.7
152.08447	38.9
153.09064	2.6
155.10745	1.7
161.56076	1.0
167.10754	2.7
171.10281	35.6
175.07736	1.3
183.10269	1.2
184.07487	5.5
185.11809	4.7
190.09999	3.5
193.08702	3.9
193.12300	1.6
195.13892	2.7
197.11775	1.4
208.11028	4.9
209.15482	59.9
210.15775	5.2
211.13377	3.5
213.11356	1.5
221.11804	5.6
239.12897	5.1
247.17020	3.2
247.20616	1.1
252.10045	10.5
265.18088	12.0
273.18628	3.5
291.16077	4.5
291.19592	23.6
292.19949	2.3
309.17056	100.0
309.20721	78.1
310.17386	7.4
310.21063	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01870	1.5
57.03436	2.6
59.01381	5.8
71.05028	20.4
71.39299	0.9
83.05033	1.1
83.78455	1.0
86.45806	1.0
95.05004	2.2
97.06601	5.9
111.08170	1.0
118.55360	0.9
119.08727	1.4
121.10280	4.9
123.08182	2.1
125.09706	6.0
127.11252	1.4
135.08151	1.4
137.09731	18.9
138.10019	1.5
139.10254	1.1
157.08694	3.0
171.10281	61.2
172.10568	2.7
181.12425	1.4
183.13855	2.3
185.11821	10.3
197.11864	1.7
207.13857	2.2
209.11861	1.0
211.13403	1.3
219.13914	2.2
229.00922	1.9
233.15422	2.1
235.17061	2.3
237.14919	3.6
247.20781	1.5
251.16530	20.1
265.18091	3.6
266.90976	1.0
273.18600	1.6
291.19675	64.3
292.19925	5.5
309.04199	1.1
309.17300	5.6
309.20706	100.0
310.17691	1.6
310.20975	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.16101	1.6
53.20438	1.7
57.03448	2.8
59.01378	9.8
63.28363	1.6
65.81824	1.9
69.03451	2.0
71.01384	2.2
71.05028	33.7
71.55690	2.2
73.44304	1.7
96.95999	3.3
97.06609	7.2
101.02459	1.8
103.71341	1.7
111.08167	2.5
121.10220	6.7
122.03813	1.8
125.09735	8.4
137.09735	31.2
171.10281	81.6
172.10661	3.2
185.11803	12.2
197.11829	3.2
207.13852	3.3
209.15366	1.9
219.13855	4.0
226.75598	1.8
233.15439	4.0
235.17044	2.8
237.14964	6.3
247.20724	3.1
251.16560	30.4
252.77670	2.0
265.18018	4.3
273.18597	3.0
291.19684	92.8
292.19955	7.9
301.48447	2.0
309.17203	8.9
309.20697	100.0
310.21063	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.39654	1.4
57.03447	4.8
59.01381	3.4
64.85922	1.4
69.03461	8.0
69.80845	7.8
71.05026	2.5
83.05024	4.1
85.06581	1.9
87.04546	1.5
88.11567	1.4
95.05019	1.4
97.02967	27.2
97.06565	3.1
98.20058	2.4
109.06574	3.1
111.08154	3.2
119.08652	3.5
125.09708	3.7
128.40549	1.4
129.68141	1.4
137.09715	5.6
158.52208	1.5
163.11252	3.4
165.12894	7.1
171.01714	1.6
171.10262	16.7
179.14424	2.6
181.12396	2.5
183.13872	1.8
193.12350	5.5
193.15916	2.1
195.13919	11.9
197.11827	6.6
209.11826	3.5
211.13469	3.5
221.15472	9.9
223.13344	7.7
227.12923	5.9
239.16534	2.1
240.83115	1.5
247.20712	9.0
251.16539	2.5
263.19879	1.7
273.18555	5.5
291.19693	100.0
292.19864	8.3
309.20737	92.3
310.21106	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.69443	4.3
55.84486	5.0
57.03452	13.4
59.01371	13.4
59.31562	4.5
70.02995	4.6
71.47025	9.2
80.02680	7.9
88.03345	4.9
93.86811	4.1
99.00893	6.2
112.98506	4.7
123.08154	17.1
125.09717	18.6
127.11293	9.1
137.09726	16.0
139.11264	9.0
145.42384	4.8
151.03976	9.8
151.07652	22.2
152.08417	17.5
155.10794	60.7
157.03233	5.5
171.10297	95.9
185.11839	100.0
186.12154	7.1
209.11819	9.5
209.15433	42.0
247.20685	9.8
252.10007	5.6
254.17537	5.7
263.20142	11.4
265.21713	15.3
274.30405	5.6
281.21188	20.2
291.19666	50.1
309.17041	62.7
309.20718	57.0
309.24365	18.1
310.21115	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	309.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03440	1.3
58.00586	1.4
59.01385	53.4
68.05505	0.8
69.53161	0.7
71.01388	29.5
71.05018	4.2
71.25224	1.3
72.99313	1.9
73.02957	2.4
75.00864	1.2
83.01385	1.6
85.02954	7.2
87.00903	1.4
89.02454	25.6
95.01397	1.4
99.00901	1.2
99.04517	5.2
101.02455	20.2
113.02455	10.4
119.03512	10.7
122.55380	0.7
129.05592	12.7
138.20518	0.7
143.03516	1.2
147.06656	13.4
161.04564	3.0
179.05687	1.0
309.11932	100.0
310.12305	4.8
334.23029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.72336	0.7
55.01890	0.7
57.03448	1.5
58.00592	2.7
59.01384	68.2
60.81305	0.9
63.45954	0.7
68.27045	0.8
69.92736	1.5
69.93127	1.7
71.01385	35.2
71.05022	1.8
72.99287	2.0
73.02950	2.5
75.00864	2.2
78.89077	0.7
83.01372	1.6
85.02953	8.3
87.00871	1.7
89.02449	40.7
95.01407	2.2
98.20731	0.9
99.00840	0.8
99.04543	2.1
101.02451	25.0
101.06086	1.7
113.02464	12.5
119.03519	18.6
129.05576	6.4
131.03525	1.0
136.90215	0.7
143.03458	1.3
147.06635	9.4
161.04547	2.0
169.99445	0.7
179.05597	2.5
190.48790	0.7
237.06178	1.2
309.11920	100.0
310.12201	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
54.75010	0.9
55.01885	1.8
58.00595	3.6
59.01384	88.5
60.01720	1.0
70.04629	3.5
71.01388	38.5
72.99303	2.1
73.02935	1.3
75.00871	3.6
78.27995	1.0
83.01415	1.8
85.02961	8.1
87.00895	1.4
89.02454	48.7
89.98343	1.0
95.01375	2.5
101.02454	25.7
113.02470	16.2
119.03517	21.4
129.05510	2.1
143.03528	1.6
161.04578	2.1
179.05602	2.6
227.26376	1.0
237.06052	1.8
309.11920	100.0
310.12271	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	307.2284
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
64.60530	0.4
69.67821	0.5
83.15334	0.4
94.34435	0.4
98.20679	0.9
121.68107	0.4
135.04520	1.0
136.98541	0.5
177.97534	0.5
179.03532	1.2
307.22818	100.0
308.23163	9.9
308.26419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1871
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
58.02988	1.2
59.01381	0.4
64.50499	0.2
81.03496	0.4
95.05055	0.6
97.06590	0.4
109.06605	0.6
111.76204	0.2
114.09261	6.1
116.07191	100.0
117.07539	1.9
122.19932	0.2
124.93797	0.2
133.99931	0.3
150.10828	0.3
158.08226	0.6
165.12846	0.7
193.99860	0.3
229.59528	0.3
265.18222	0.2
307.67654	0.4
308.18701	30.2
309.19235	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	309.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.7
59.01384	74.1
69.84117	4.7
71.01386	38.5
71.05025	1.8
71.38993	1.0
72.99307	2.9
73.02931	2.3
75.00870	2.3
78.95882	1.0
83.01405	2.9
85.02958	8.8
87.00893	2.1
89.02452	36.3
89.60271	1.1
90.02784	1.0
95.01387	3.0
98.20548	1.3
99.04532	1.9
100.49726	1.1
101.02452	24.1
113.02469	14.7
119.03503	18.8
129.05609	3.7
131.03485	2.0
143.03560	1.3
147.06630	9.8
149.04562	1.3
161.04581	2.8
179.05569	2.8
211.00137	1.1
237.06172	0.9
264.59665	1.0
290.32327	1.1
309.11920	100.0
310.12296	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.5
59.01385	12.2
59.52518	2.2
66.68510	2.7
69.03456	3.5
69.35756	4.2
69.36144	17.6
71.01380	6.0
71.04999	3.8
79.95731	15.8
80.02686	4.0
80.96518	2.8
83.05019	4.1
93.07123	5.5
94.67401	2.5
95.05035	3.3
97.06575	8.4
99.00883	2.7
106.04255	4.8
107.08643	3.8
111.08175	5.6
120.27878	2.1
121.06612	31.5
123.08184	5.3
125.09747	26.3
127.11266	5.4
133.02953	2.6
135.04539	26.1
135.08176	18.9
136.04878	3.2
137.09720	6.2
141.12802	3.2
151.11317	6.8
153.09216	19.1
155.10727	8.6
161.02376	6.3
165.09166	2.8
165.12813	10.1
167.10806	4.8
171.10281	77.4
174.16721	2.9
174.18852	2.4
179.03514	29.7
181.12341	8.5
185.11839	100.0
186.12228	3.2
191.10742	2.8
191.14447	3.1
197.11964	2.7
209.11787	21.1
211.13429	2.8
211.46008	2.4
212.10504	10.0
239.20039	4.7
245.19090	20.9
261.18509	10.0
263.20163	19.1
279.19699	12.3
289.18103	30.6
290.18359	2.3
307.19080	92.3
307.22781	18.9
307.25970	3.5
308.19116	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.0
59.01387	12.0
68.28593	2.5
71.01377	5.6
71.05022	5.5
80.02702	7.0
80.76092	2.6
81.03468	3.8
83.05027	12.6
85.02974	3.6
93.03468	4.7
93.07150	4.1
95.05061	3.4
97.06600	7.4
99.04507	2.7
106.04244	15.4
107.08691	5.2
109.06641	6.6
109.46169	2.6
111.08190	5.5
121.02979	4.7
121.06603	23.8
123.04523	5.1
123.08195	8.3
125.09719	31.5
127.11306	3.8
135.04523	19.2
135.08176	66.5
137.09717	16.7
138.65201	2.6
139.11328	3.2
151.11342	2.7
153.09192	20.8
155.10808	4.6
167.10802	6.1
171.10281	100.0
179.03508	19.5
185.11841	64.4
186.12181	4.5
189.32776	2.8
191.14383	7.4
193.12366	10.4
199.13321	5.9
209.11916	4.0
211.13443	20.0
212.10547	4.2
245.19217	15.7
261.18726	7.2
263.16776	3.4
263.20288	12.3
264.20300	3.7
279.19742	8.4
289.18134	60.3
290.18692	3.5
307.15744	5.8
307.19247	88.3
307.22867	12.9
308.19632	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01381	8.6
71.01367	2.6
71.05020	4.4
71.24914	3.3
79.25422	1.3
81.03490	2.5
83.05052	2.7
85.02975	2.2
95.05008	1.4
96.96043	3.3
98.03780	1.9
102.88404	1.3
109.06596	14.8
111.04514	7.2
123.08173	1.6
127.07642	2.0
135.04530	11.2
143.10735	3.3
149.09679	1.9
150.06123	1.3
161.02481	1.8
161.04564	2.0
179.03481	9.1
195.13914	3.3
207.17552	1.8
245.19063	6.8
263.16458	2.6
289.18115	100.0
290.18411	9.3
307.07983	2.0
307.15900	2.1
307.19107	15.0
307.22586	3.1
308.19547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01879	4.5
57.03447	4.9
59.01372	5.8
65.03971	65.3
69.03458	1.5
71.01401	1.3
71.05028	40.0
71.05419	2.5
71.55043	1.8
71.57237	1.5
74.95129	1.5
83.05056	2.9
83.62865	1.5
97.06596	66.6
98.06955	1.9
119.08678	12.0
121.06606	100.0
122.06974	2.9
123.08173	3.4
125.09734	45.4
135.04509	11.4
135.08197	1.7
137.09705	4.7
141.12950	1.8
147.14008	1.6
161.02457	3.6
164.08630	1.5
179.03491	12.3
185.11838	84.5
186.12143	4.2
207.06625	1.4
209.11865	33.8
210.62321	1.3
211.13411	37.0
211.15424	2.2
212.13806	2.0
235.13403	92.0
236.13750	5.3
288.07535	1.6
289.18137	19.5
290.18472	1.5
307.15662	3.7
307.19125	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15712	1.7
55.01875	4.5
57.03447	4.2
58.05373	1.8
58.23096	1.5
59.01374	4.5
65.03967	66.0
69.03432	2.2
71.05027	41.4
83.05022	2.7
97.06596	76.3
98.06971	2.3
100.77627	1.7
109.06581	2.1
119.08666	11.3
121.06611	100.0
122.06929	2.9
123.08147	4.2
125.09738	44.4
135.04538	10.4
137.09706	4.5
157.94670	2.0
163.11243	2.4
179.03517	9.9
185.11842	79.3
186.12198	2.2
209.11829	36.0
211.13429	30.0
235.13406	96.1
236.13785	5.0
249.15013	2.2
289.18063	15.1
307.08197	2.6
307.19220	26.8
307.22595	2.7
308.19537	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96461	0.3
51.69486	0.3
56.80995	0.3
61.93553	0.3
65.40851	0.3
69.21249	2.7
75.56846	0.3
98.19863	0.6
135.04550	0.6
145.47897	0.4
175.35823	0.4
179.03450	0.4
211.16968	1.5
223.13171	0.3
231.13689	0.5
237.18556	0.7
239.20175	21.6
240.20511	1.4
241.12042	0.4
251.16254	0.7
255.13608	0.6
257.15210	3.1
259.16803	6.4
260.17157	0.4
263.12671	0.4
265.14276	0.5
273.14746	0.6
277.17844	0.6
279.19449	4.7
289.14215	1.1
289.17944	1.0
291.15817	6.4
293.17444	1.6
307.18924	100.0
308.19263	7.3
323.18381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59974	1.6
54.15080	1.8
57.03438	6.6
59.01375	7.3
69.03471	2.2
69.31251	14.7
71.01368	2.4
79.95765	1.9
80.02674	3.9
81.03457	5.6
83.01369	9.5
83.05031	4.9
95.01402	2.2
95.05047	4.4
97.02943	4.9
97.06579	7.7
100.53220	1.6
105.97015	1.5
107.78089	1.5
109.06562	2.9
121.06606	3.0
123.04524	10.4
123.08167	3.1
125.06113	1.6
125.09727	19.8
135.04536	10.0
135.08174	3.3
137.09749	13.2
141.12836	2.8
142.02754	2.5
149.06137	2.1
151.11359	2.4
161.02394	2.6
161.09750	2.2
163.07620	1.8
163.11307	17.6
165.09229	2.4
165.12822	3.1
167.10803	3.3
171.10271	3.7
177.12851	1.9
179.03494	11.1
179.10789	4.1
181.12357	3.8
185.11803	23.3
185.24005	1.6
191.10774	2.2
191.14427	17.7
202.44957	1.8
207.10281	8.9
209.11830	31.4
210.12256	2.0
211.13390	2.5
217.15909	3.6
225.11261	10.9
226.11792	1.9
245.19113	49.4
246.19542	3.9
263.20184	4.7
271.17093	4.5
289.18112	100.0
290.18408	7.7
307.19202	61.4
307.22690	4.4
308.19379	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
70.44613	0.8
71.01429	0.4
74.99075	6.7
75.96247	0.5
85.02947	0.3
86.87906	0.3
91.02210	2.6
93.00143	2.8
98.20609	0.3
110.52727	0.3
135.04536	2.3
149.00961	3.1
152.92583	0.2
159.07222	0.5
159.08490	7.3
159.09801	0.4
160.08679	0.3
161.02385	0.3
161.06371	1.7
179.03481	2.5
192.39349	0.3
192.98172	0.9
206.99741	1.6
209.01271	2.7
217.07211	0.6
223.02850	52.5
224.02864	4.2
241.03877	0.6
275.05957	0.4
289.07529	2.3
291.09119	100.0
292.09253	11.3
307.08792	0.5
307.12277	2.6
307.19180	0.9
307.22778	1.1
309.10147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
70.11182	0.8
70.11574	0.8
74.99077	6.6
81.03485	0.5
85.02973	0.5
91.02210	2.5
93.00125	2.3
94.14765	0.5
98.19988	0.5
110.03725	0.5
135.04558	3.1
149.00900	2.3
159.08492	6.6
161.04591	0.4
161.06398	1.4
179.03537	3.5
192.98131	0.7
206.99738	2.0
209.01280	2.4
217.07216	1.0
223.02849	50.6
224.02866	3.5
241.03970	0.5
263.20270	0.4
275.06104	0.6
289.07590	2.4
291.09125	100.0
292.09265	11.2
307.08557	0.8
307.12259	2.4
307.19086	1.4
307.22812	2.7
307.26257	0.8
309.10117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.63968	0.5
55.01882	1.8
57.03440	1.6
58.00595	1.6
59.01383	48.6
69.47009	3.8
69.94633	0.6
71.01387	28.0
72.99314	2.6
73.02962	3.7
83.01406	4.1
85.02957	9.8
86.00078	0.5
87.00883	2.2
89.02454	22.5
93.03482	0.8
95.01405	1.8
98.19861	1.0
99.00903	2.0
99.08168	21.9
100.08543	0.9
101.02450	21.2
111.00909	0.8
113.02457	11.4
113.09721	0.6
114.77090	0.6
119.03511	8.9
119.05006	0.9
127.07656	5.4
129.09230	2.0
131.03450	0.7
133.02943	1.0
133.05910	0.7
135.04541	12.8
138.05586	0.9
141.09221	2.7
142.84430	0.6
143.03500	0.7
145.08717	66.4
146.09053	1.7
149.04648	0.6
159.02974	0.9
161.02473	2.6
161.04546	3.0
161.61154	0.5
171.01547	0.6
179.03506	12.9
179.05348	1.1
179.05592	1.0
187.09813	2.0
205.46263	0.6
221.87305	0.6
232.33653	0.5
235.08435	1.2
258.88351	0.5
264.12546	0.9
284.77155	0.5
289.11978	1.2
307.08218	3.3
307.14011	100.0
308.14395	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	2.1
61.98836	100.0
62.98537	0.7
63.99258	1.6
121.02992	1.9
134.97099	1.1
136.94023	0.8
136.96780	2.9
161.98990	2.0
162.96628	1.4
162.99113	2.8
163.96054	0.5
163.98674	4.2
164.96391	48.2
165.01953	1.1
165.92467	0.5
165.96475	2.7
176.98222	0.6
178.95079	0.5
178.97876	0.7
205.00143	0.7
205.99879	0.9
206.97461	18.2
207.97591	0.5
306.97354	10.7
307.00339	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
70.69867	0.4
84.56019	0.3
85.02966	1.7
86.96941	0.3
98.20686	0.7
106.64059	0.3
107.05038	1.1
109.02953	0.6
119.04959	0.4
133.02963	3.2
134.03777	3.8
135.04538	100.0
136.04848	3.3
150.03230	0.3
161.02469	8.0
161.04517	0.5
179.03514	96.1
180.03882	3.3
210.78941	0.4
289.07220	2.2
307.08264	13.0
308.08737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40290	0.6
59.01382	2.8
59.01671	0.6
63.80416	0.7
68.23757	0.6
69.52662	4.5
71.01386	1.3
74.68458	0.6
81.03455	0.6
85.02955	11.6
87.00150	0.6
87.00892	1.7
89.02496	0.8
90.92508	0.6
97.35333	0.5
109.02977	0.7
113.02448	0.8
119.05007	1.4
127.04064	1.2
132.02188	1.6
133.02968	24.7
134.03815	3.0
135.04536	100.0
136.04861	3.7
137.02429	1.5
150.03258	3.1
161.02457	86.3
162.02776	3.0
163.04028	1.8
175.03973	1.7
177.05566	1.8
178.02716	1.9
179.03510	95.5
180.03819	3.8
183.29802	0.6
203.03525	4.6
217.54092	0.6
221.04732	0.7
245.08232	1.0
284.03964	0.6
289.07196	5.4
307.08252	49.5
307.14078	2.5
308.08521	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	306.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68460	1.1
52.01904	1.7
59.01379	2.3
60.22005	1.3
67.01876	6.4
69.88293	2.1
69.88689	3.5
70.02988	2.4
71.01388	1.2
82.02992	79.3
83.03285	1.4
84.04554	17.0
85.02949	2.6
93.03556	1.1
94.02982	14.6
98.02487	36.1
100.04065	7.7
110.02486	2.4
111.03275	34.3
118.06640	15.7
126.02004	6.0
131.05046	2.9
135.04543	8.2
141.07077	2.1
144.08151	2.7
147.04558	18.6
155.03520	1.3
156.08163	2.3
157.06569	1.7
159.08170	2.2
161.02434	3.0
175.83455	1.2
179.03532	8.6
184.07690	41.6
185.06189	1.2
185.07990	2.1
186.09290	13.6
202.08742	28.9
230.08217	19.8
246.07719	100.0
247.08005	6.0
274.07217	29.5
275.07602	1.8
300.54651	1.1
306.09863	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	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.35159	1.5
52.06559	1.1
55.53100	1.0
57.03446	1.6
58.71058	1.4
59.01380	5.6
71.01382	1.5
71.05030	28.0
71.55338	1.3
74.13437	1.2
81.03445	3.0
83.05025	1.7
93.03493	2.3
95.05034	14.5
97.06605	3.5
106.04240	3.3
107.05028	2.0
109.06625	12.0
111.04550	1.7
117.07150	1.7
120.05822	2.8
121.06606	5.0
123.08143	2.1
124.91532	1.2
125.09769	6.2
127.07726	1.3
135.04573	1.4
135.07227	2.7
135.08191	38.6
135.09241	2.3
136.08493	1.4
141.01775	1.2
147.04636	1.2
147.08186	2.3
149.06142	1.5
158.49577	1.4
161.06107	2.5
162.06783	1.5
165.09268	8.4
179.14488	1.7
185.11816	2.7
189.12875	12.4
191.63879	1.2
205.16000	8.3
206.16467	1.3
228.67906	1.3
231.13922	3.0
233.11885	5.5
243.17587	8.7
249.14995	14.1
261.18683	3.9
263.16296	1.7
269.15561	1.7
287.16562	63.1
288.16983	5.4
305.17633	100.0
305.21069	6.3
306.17960	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03442	2.1
59.01388	7.4
60.65622	1.5
61.98838	1.8
64.33379	1.6
69.03463	2.0
69.74786	4.5
69.75196	3.7
71.01378	2.5
71.05031	38.9
81.03461	4.5
83.05035	2.4
93.03459	2.6
95.05052	17.2
96.84868	1.4
98.19991	2.8
106.04264	3.0
106.30092	1.5
109.06612	15.9
111.04542	3.4
117.47057	1.7
121.06628	7.3
123.04555	1.7
123.22807	1.5
124.63651	1.5
127.07719	1.7
135.08163	2.1
139.07680	1.5
141.01668	2.2
147.08159	3.0
157.41454	1.5
161.06029	3.1
165.09216	10.7
189.12901	15.7
205.15994	9.5
231.13847	1.5
233.11880	5.1
243.17542	9.3
249.14983	13.9
254.50685	1.6
261.18646	4.5
277.24002	1.6
287.13376	3.4
287.16574	79.1
288.16888	6.0
305.17639	100.0
305.21121	9.0
305.24670	3.1
306.17902	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	305.1762
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03451	2.0
57.16747	0.6
59.01381	3.4
59.64316	0.6
61.98812	0.6
65.03967	2.5
68.59419	0.6
69.40632	4.4
71.01401	0.7
71.05021	6.8
79.05546	10.9
83.05058	1.1
83.15857	0.7
86.26830	0.7
93.03450	1.3
95.05047	1.9
97.06599	12.3
98.79269	0.7
106.04249	8.0
107.05059	3.5
109.06599	2.0
117.07111	1.5
120.05838	6.6
121.06588	3.0
123.08188	5.8
125.09734	18.2
126.10133	0.9
133.06604	1.8
135.08173	100.0
136.08473	4.0
137.09766	1.6
141.01730	1.0
151.11275	2.2
159.08215	0.9
162.06828	1.4
163.11328	1.8
164.28447	0.7
176.63483	0.7
177.12891	1.5
183.10268	0.9
185.11836	1.9
189.12813	2.1
205.15994	6.2
206.16318	0.9
207.10281	2.2
209.11745	0.9
211.13467	0.7
221.11867	2.1
231.13863	1.4
233.11896	1.4
235.13467	1.0
242.76366	0.7
247.13541	0.8
249.14967	48.5
250.15424	2.9
253.01050	0.9
263.16501	1.5
269.15518	1.9
287.16629	7.5
305.17603	81.9
306.17914	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93205	0.3
54.81902	0.3
58.02981	39.5
59.03332	0.4
69.36795	2.1
69.37196	0.6
69.92087	0.3
79.50520	0.3
151.11322	0.3
168.13948	100.0
169.14313	4.5
184.39493	0.3
212.12909	3.5
304.19321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1146
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.63424	0.2
54.32927	0.2
57.03457	0.3
59.01397	1.2
59.09497	0.2
65.99848	0.8
68.99818	0.3
69.03456	0.4
69.50845	1.5
71.01392	0.9
73.02992	0.2
74.45325	0.2
82.02992	4.4
82.34167	0.2
83.01376	0.2
85.02959	0.5
85.74197	0.2
86.75816	0.2
92.05080	0.3
93.03474	0.2
94.02993	2.0
95.05031	0.4
96.04560	4.0
97.02948	0.5
101.02462	0.8
107.03816	0.3
110.06137	0.5
113.02431	0.3
120.04556	1.5
122.03748	4.6
122.06126	3.6
124.04009	0.3
133.02951	0.5
135.04527	0.7
136.04041	1.4
138.05624	100.0
139.05974	3.1
146.12659	0.2
149.04808	0.4
150.05620	0.9
161.04755	0.6
165.07970	0.4
166.05153	0.3
174.05647	0.6
178.08708	0.3
188.07169	0.9
190.08719	1.1
191.08183	0.2
197.06964	0.8
202.08792	0.6
216.10284	0.7
217.06114	0.8
218.06947	2.3
218.11882	1.5
229.06253	0.3
233.09337	5.0
234.09531	0.2
244.09834	0.8
245.09328	0.8
261.12436	9.4
262.12830	0.8
275.14029	1.3
287.10431	1.7
287.14075	3.0
288.14212	0.3
305.11459	14.3
305.15140	0.6
306.11749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.4
61.09998	0.8
65.00332	2.0
71.01386	2.4
71.56665	1.8
75.00929	0.9
82.02984	1.8
83.01384	1.8
83.05008	0.9
85.02957	0.9
89.00370	1.0
92.27094	0.7
95.05000	0.9
97.02953	1.8
97.96358	0.9
101.02431	0.9
110.06127	2.9
113.02518	1.0
120.04599	1.5
121.05335	3.4
122.06136	14.2
124.01671	3.3
132.04594	0.9
136.07690	2.0
137.02402	2.6
138.05652	1.6
139.04018	4.0
140.19705	0.8
144.04568	1.7
145.05362	13.9
146.05325	0.7
146.06157	8.3
147.03264	2.4
148.01707	0.8
148.04022	1.3
149.04828	2.4
151.00374	1.2
152.01106	0.9
159.03215	1.6
162.05620	2.8
163.04076	0.8
163.06401	16.3
164.03596	1.5
164.07175	13.6
165.01927	10.9
166.05095	6.2
176.03503	1.6
177.04315	7.3
178.04985	1.2
194.04601	13.8
195.05367	18.5
196.06100	3.8
200.22693	0.8
207.71536	1.0
209.03307	3.5
229.06151	2.7
255.11417	3.3
256.03946	1.0
259.11020	4.9
267.11365	5.2
271.06033	0.9
273.12463	36.8
274.12906	2.4
285.12476	100.0
286.12784	8.8
288.06436	1.8
303.08838	15.6
303.13654	10.3
303.18079	1.3
304.09317	1.0
304.14059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56889	0.5
55.56756	0.5
59.01379	1.9
59.49464	0.5
68.99810	0.5
69.31050	1.1
69.31458	3.4
71.01385	0.7
72.15928	0.4
73.02956	0.9
85.02976	0.7
95.05029	1.8
97.06581	1.0
108.04572	0.9
110.06120	2.2
120.04528	1.0
121.05352	4.6
122.06128	15.6
123.06316	0.5
131.03671	0.5
132.04576	1.5
134.06155	1.8
135.96629	0.5
136.04019	0.8
136.07666	1.4
138.05576	1.0
143.07133	2.0
144.04564	2.1
145.05342	20.8
146.06126	12.7
147.03226	2.5
148.04016	2.0
149.04852	2.7
150.05623	1.2
159.03271	1.2
162.05600	2.8
163.06403	13.6
164.07167	20.4
165.04288	0.9
165.07491	0.9
166.05107	6.9
171.09311	2.6
176.03526	1.8
177.04324	9.4
181.03842	0.9
192.02980	0.7
194.04596	17.5
195.05376	16.6
196.06136	4.8
204.09015	0.9
208.06148	1.3
209.03328	3.5
215.15529	5.5
224.10672	0.7
226.11078	0.7
241.14441	0.7
242.11942	0.9
255.11401	5.1
259.14523	6.0
267.11398	5.8
273.12460	39.1
274.12814	2.4
280.64261	0.5
285.12454	100.0
286.12769	7.1
303.13632	10.7
304.14209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2387
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
55.95008	0.4
58.00588	0.5
59.01382	12.0
61.98830	0.7
62.43564	0.3
71.55656	0.6
106.52483	0.4
110.41965	0.3
123.00892	0.5
138.03291	0.4
151.00357	0.9
154.49847	0.4
173.02441	0.4
173.11848	0.6
181.42107	0.4
183.13870	0.4
219.97714	0.4
223.20743	0.6
225.22264	2.3
241.21738	0.6
249.76299	0.5
253.21648	1.0
255.23337	1.5
265.21799	1.0
283.19550	0.6
283.22769	9.0
284.23279	0.8
299.22253	4.4
300.99908	3.1
301.03616	1.2
301.07205	1.0
301.23846	100.0
302.24161	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2023
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.84865	0.4
57.03458	2.5
69.63944	0.8
69.64359	1.7
79.37238	0.4
83.05022	1.1
96.08001	0.4
97.06612	0.4
98.20575	0.5
98.24287	0.4
109.06584	0.4
111.08169	6.7
113.09744	1.0
114.27045	0.4
125.09727	0.8
127.11304	1.3
141.12831	0.7
145.08698	0.6
173.08194	2.1
187.65620	0.4
200.04785	1.0
200.52800	0.4
204.34625	0.4
211.20752	0.9
221.19121	31.0
222.19473	2.0
229.08768	2.6
237.18568	1.5
239.16599	0.4
239.20193	5.9
257.21210	1.5
265.18100	18.8
266.18481	1.2
283.19174	22.8
284.19543	2.2
301.20206	100.0
302.17358	0.7
302.20554	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	301.2024
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03440	2.0
59.01374	7.7
62.19463	2.0
64.39887	2.0
65.05276	2.0
70.34399	1.9
70.96114	2.9
72.25893	1.8
77.04428	2.0
78.95909	10.5
98.27231	2.2
99.00872	3.2
145.57530	2.0
151.00391	4.0
221.19084	17.2
239.20148	15.0
255.19795	5.4
257.21286	4.4
265.18164	10.7
283.19186	22.1
285.74771	2.3
301.00058	13.6
301.03406	5.0
301.07187	6.6
301.17072	4.0
301.20224	100.0
301.23624	5.6
302.00314	2.1
302.20822	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	301.2386
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
50.93885	1.2
59.01391	6.3
61.98826	2.7
87.61414	1.3
100.01053	1.0
107.01409	1.7
123.00942	1.2
141.74521	1.1
151.00378	3.4
183.13913	1.4
219.97697	1.3
225.22223	11.0
226.22586	1.5
229.56139	1.1
253.21758	6.5
254.22301	1.6
255.23303	21.2
256.23624	1.9
286.08395	1.2
301.00064	8.1
301.03427	2.4
301.06961	2.7
301.23853	100.0
302.24255	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	301.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65326	0.7
59.01385	40.8
64.53469	1.0
66.92303	0.9
94.74387	0.9
98.10193	1.1
98.19857	1.7
118.79890	0.8
220.14735	0.9
221.19099	7.8
239.20184	37.4
240.20490	2.5
241.18102	99.3
241.54457	0.9
242.18430	5.5
283.19165	16.4
301.20215	100.0
302.20505	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	301.2024
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.90088	0.2
58.31474	0.3
59.01374	0.7
76.85677	0.3
78.95896	0.3
115.58126	0.3
123.04429	0.3
140.57936	0.3
151.00409	0.3
209.19073	0.9
211.20671	1.1
221.19121	6.4
222.19514	0.5
229.15915	0.4
237.18544	1.5
239.20189	23.1
240.20557	1.8
255.19669	35.9
256.20087	2.7
256.82602	0.3
265.18008	0.8
283.19168	3.6
300.99738	1.1
301.20224	100.0
302.20578	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	301.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.2
59.01391	2.5
65.00346	0.4
71.01381	0.8
80.21497	0.4
81.03438	0.5
83.01406	0.6
83.05027	1.6
85.06591	0.8
88.13989	0.4
97.34867	0.3
98.19930	0.9
101.06051	0.4
107.01386	0.6
111.08199	0.7
113.09753	1.2
127.11228	0.7
129.40349	0.3
134.03745	1.3
139.11279	0.8
145.05077	0.6
151.00378	1.6
153.12854	1.2
158.20381	0.4
193.15962	0.8
193.65791	0.4
201.11334	1.2
211.20729	0.9
218.83078	0.4
221.19116	29.2
222.19446	2.0
223.17220	0.5
229.18150	1.3
237.18718	0.6
239.16519	0.7
239.20297	2.4
241.18105	0.9
255.16016	1.5
257.17664	0.6
257.21188	2.6
265.18100	22.2
266.18414	1.4
276.37296	0.5
283.16629	0.3
283.19147	17.6
284.19415	1.5
301.00052	2.6
301.07410	2.6
301.20209	100.0
302.20538	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	1.0
63.35376	0.7
69.82880	4.0
73.56052	0.7
78.17621	0.7
79.05539	1.2
118.32037	0.8
123.00925	0.9
159.06662	1.1
165.41507	0.8
176.54205	0.8
229.11226	0.7
301.12769	2.3
301.16547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.01369	0.2
60.97516	0.8
61.98827	0.2
69.74113	1.0
71.30310	0.2
73.35973	0.1
74.98742	0.2
74.99060	0.9
79.58582	0.2
93.45562	0.2
98.20621	0.3
107.67373	0.2
118.96262	1.0
120.97844	0.2
134.99411	5.9
136.97360	2.1
141.07431	0.5
143.05353	1.5
144.59416	0.2
150.98836	0.4
158.22905	0.2
159.08481	1.6
161.06410	5.9
187.04269	0.2
201.04121	0.6
203.05673	3.5
204.05881	0.2
205.03595	1.1
205.05215	0.2
215.05774	1.1
217.07225	86.4
218.07353	5.6
235.08195	0.3
261.06192	0.8
283.11975	0.7
283.22870	0.3
285.13495	36.7
286.13654	3.4
300.99893	0.6
301.16623	100.0
302.16858	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	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.7
69.03454	1.1
71.05049	0.8
83.05043	1.3
85.06584	0.8
95.05026	8.6
97.06602	33.9
98.06960	1.0
111.08138	3.5
113.06080	0.9
113.09721	2.1
115.07652	2.8
123.08168	2.4
125.09735	36.3
126.10088	1.5
131.07150	3.4
141.12988	0.8
151.00415	0.8
159.06676	6.6
159.10274	12.6
169.08694	1.4
173.08209	1.4
187.09766	29.5
195.17567	8.0
211.17004	1.3
221.19124	31.6
221.21274	1.8
222.19418	1.3
237.18698	1.4
237.87115	0.8
239.16519	20.4
239.20135	4.2
240.16977	0.9
257.17719	4.4
257.21231	1.7
265.18100	20.5
266.18414	1.0
283.15518	25.1
283.19135	20.0
284.15790	1.2
301.07208	2.4
301.16565	70.0
301.20212	100.0
302.16895	5.8
302.20572	6.5
307.14151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90584	0.7
59.01379	1.9
69.03485	0.7
81.03466	31.8
82.03783	0.6
83.05033	100.0
84.05363	1.8
98.20722	1.6
101.06091	10.4
107.01364	1.3
125.02443	0.6
127.04031	4.8
127.11314	2.3
134.03738	1.4
145.05066	12.3
149.06030	0.8
151.00389	1.9
173.11841	42.7
174.12141	1.7
198.12428	0.6
201.11349	0.9
213.05698	0.9
215.78601	0.6
221.19109	8.5
229.18040	3.0
239.16466	3.0
239.20164	2.1
241.18134	2.2
257.21121	0.9
265.18088	5.3
283.15555	4.2
283.18726	4.5
300.99945	3.6
301.07315	3.1
301.16586	66.8
301.20227	28.9
302.16907	4.9
302.20538	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	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
63.02403	8.3
63.77194	0.5
65.00330	14.8
69.43970	3.7
80.02677	2.2
83.01395	9.8
83.05072	0.5
107.01402	23.0
108.02192	14.7
121.02944	0.6
123.00920	0.8
123.04555	5.2
124.01681	0.9
125.02529	1.0
133.02986	0.7
134.03754	39.1
135.04633	1.1
136.01675	9.5
140.64384	0.5
149.06093	24.6
150.06461	0.9
151.00380	56.9
152.00702	1.1
164.01160	12.5
165.01863	2.2
169.01436	2.4
174.03220	1.5
177.01927	8.0
182.28081	0.5
196.00134	7.5
199.04074	1.4
201.01985	1.4
209.11790	1.7
215.03564	0.9
216.04112	0.8
227.03395	0.6
241.05032	0.7
242.05791	1.0
243.03154	0.5
257.08112	0.9
285.04169	1.3
286.04819	2.9
301.07199	100.0
302.07495	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	92.3
60.01686	0.6
62.86349	0.3
64.23109	0.3
69.89319	1.6
72.94505	0.3
74.99384	0.5
82.95433	0.5
114.98870	0.6
115.02522	11.7
116.02664	0.4
116.98627	0.6
117.00456	8.2
118.00536	0.5
141.00439	0.7
156.93108	2.0
156.99979	0.9
157.03572	2.4
158.92862	0.9
159.01505	100.0
160.01627	5.8
161.01869	0.3
201.02565	24.1
202.02679	1.3
211.39096	0.3
215.07776	0.3
217.00479	1.7
241.00505	0.7
259.01553	3.0
260.01703	0.6
269.19458	0.3
301.02682	48.8
302.02783	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	301.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03523	0.3
63.02404	8.8
65.00330	14.9
69.27267	0.4
69.27671	2.1
80.02691	1.5
80.28755	0.3
83.01392	8.9
107.01400	23.5
108.02193	12.9
108.99330	0.4
109.02412	0.3
123.00909	0.8
123.04529	4.3
124.01682	0.9
125.02434	1.0
133.02960	0.5
134.03751	38.4
135.04146	1.1
136.01666	8.6
149.06093	24.6
150.06407	1.1
151.00380	57.4
152.00656	1.6
164.01166	13.9
165.01941	3.6
169.01447	1.7
174.03238	1.4
175.04068	0.6
177.01942	8.2
188.04726	0.3
191.07083	0.4
196.00143	5.3
199.03969	1.2
200.04784	0.3
201.01923	1.4
215.03499	0.9
231.66335	0.3
240.04343	0.5
241.05081	0.5
242.05846	0.8
257.08148	0.4
258.05399	0.5
268.03757	0.5
279.02048	0.3
285.04092	1.6
286.04816	2.8
287.05145	0.4
301.07184	100.0
302.07529	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
100.48381	1.0
165.01968	1.0
172.05370	2.3
180.05788	1.2
182.03789	1.0
183.04491	1.9
184.05255	2.3
185.06013	2.1
195.04468	2.2
196.05312	7.4
197.06102	5.8
199.03998	4.1
211.03995	10.0
212.04810	12.5
213.05580	7.0
215.07101	1.1
223.04071	2.1
224.04796	10.2
225.05525	4.1
227.03482	1.8
230.53185	1.4
239.01250	1.4
239.03529	14.9
240.04300	67.2
241.05058	73.1
242.05771	12.0
243.06152	1.0
248.26973	1.0
252.04263	8.2
253.04924	2.3
257.08234	28.8
258.08694	2.2
267.02985	2.7
268.03799	31.2
269.04153	2.6
283.06140	100.0
284.06479	7.2
301.07202	75.7
301.10779	2.1
301.16855	1.6
301.20264	6.5
302.07709	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
60.01718	0.2
63.23679	0.2
68.01421	0.6
69.75836	0.5
69.76235	0.8
71.01388	1.4
74.60213	0.2
80.37976	0.3
86.33794	0.2
89.02450	1.7
90.02789	0.4
91.76430	0.3
93.03468	1.4
94.03812	0.8
95.05070	0.3
101.02460	0.6
113.02447	0.6
119.03532	0.4
119.05058	0.4
120.05381	0.5
123.03278	10.5
137.02484	1.8
137.04842	0.8
138.02817	2.0
138.05626	100.0
139.05957	3.3
149.97498	0.3
152.07190	0.7
165.04317	0.4
167.05902	0.4
180.06685	1.7
285.45453	0.3
300.10925	5.3
301.11340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00340	0.6
59.01384	2.7
68.01421	3.4
69.65797	1.5
71.01398	0.8
73.07666	0.3
82.98122	0.2
89.02459	0.3
96.04559	0.4
109.01682	0.2
110.06112	0.4
122.02500	1.0
123.03275	6.3
124.04015	0.4
124.07693	1.0
128.28171	0.2
130.08734	0.6
136.07698	0.7
137.04869	1.2
138.05623	100.0
139.05962	2.3
143.11925	0.5
150.05696	0.3
152.07207	1.3
166.08752	0.4
167.05887	2.4
168.06677	0.7
180.06670	5.2
181.06921	0.3
210.07727	0.8
214.15637	1.2
238.56783	0.2
240.08893	0.3
300.10904	13.8
300.15817	1.0
301.11230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86802	0.5
57.03429	0.7
67.00525	0.4
70.22305	1.4
78.13672	0.4
93.03774	0.4
98.19952	0.6
182.89861	0.5
193.90825	0.4
237.22247	62.6
238.22618	4.9
255.23265	2.0
281.21234	29.1
282.21616	1.8
299.22287	100.0
300.22644	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	299.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16119	0.8
59.01377	8.5
75.40706	0.8
96.39479	0.7
117.97205	0.7
125.09713	1.6
138.05574	1.6
141.12857	2.6
143.10768	0.9
157.12346	5.4
159.10239	1.6
174.99240	3.1
181.23314	0.7
198.22032	1.0
217.00336	8.8
225.22101	2.3
227.03517	1.0
230.46793	0.9
237.22266	4.5
253.21725	2.0
253.25220	1.8
271.02344	2.2
271.22806	48.8
272.23120	2.7
281.21136	2.1
281.24820	2.1
284.03363	4.5
285.03439	1.0
297.24463	1.6
299.01959	3.0
299.05527	2.3
299.20081	61.3
299.25830	100.0
300.20432	4.1
300.26196	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	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.72727	0.3
56.87466	0.2
59.01386	4.1
60.31066	0.3
71.10561	0.4
71.10907	0.3
116.96001	0.3
130.09064	0.2
138.05637	0.4
141.68338	0.3
142.47273	0.3
174.99181	0.9
175.76730	0.2
193.78795	0.2
217.00305	4.0
224.64766	0.3
225.88647	0.3
237.22180	1.3
251.23979	0.4
253.25363	3.7
254.25732	0.3
257.21182	0.4
271.02515	0.4
281.21420	0.4
281.24878	1.2
282.25421	0.4
284.03287	1.2
297.24390	1.0
299.01889	0.8
299.05551	0.8
299.25906	100.0
300.23123	0.3
300.26260	6.7
315.12134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
60.01706	0.2
60.80758	0.3
68.01418	0.7
69.52847	1.7
71.01379	0.9
71.41568	0.2
75.16821	0.2
89.02465	1.0
93.03468	2.3
94.03786	1.8
95.05052	0.4
98.19854	0.3
101.02464	0.6
113.02444	0.3
119.03524	0.4
120.05362	0.4
122.02492	0.4
123.03278	9.6
136.07733	0.3
137.02451	3.0
137.04805	1.2
138.02817	3.7
138.05618	100.0
139.03009	0.3
139.05957	2.7
152.07187	0.6
165.04309	0.4
167.05898	0.5
180.06636	1.8
227.63510	0.2
279.39371	0.3
300.10883	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	299.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80004	0.5
53.32752	0.4
57.03465	2.4
59.01380	7.6
60.10324	0.5
60.99308	0.5
69.36575	0.5
69.59686	3.4
71.05020	1.2
76.73707	0.5
78.63165	0.5
81.03462	5.7
83.05032	19.7
85.40652	0.5
97.06590	1.6
99.08145	1.0
111.08197	2.3
112.94514	0.5
113.08227	0.4
125.09748	2.8
137.02527	0.6
138.05656	1.4
151.11261	0.7
153.12866	23.6
154.13205	0.7
157.08691	0.6
159.10335	0.6
171.10335	0.9
174.99240	2.2
197.11848	21.2
197.15529	0.8
198.12170	0.8
211.17029	0.9
215.12878	11.9
217.00323	7.9
219.17532	0.9
237.18617	13.9
238.19215	0.7
239.16635	1.0
253.18080	5.4
255.19679	5.0
263.16550	4.7
271.02460	0.9
281.17593	21.9
282.17807	1.2
284.03189	2.9
299.02158	0.9
299.05582	1.9
299.18671	100.0
299.22043	3.8
299.25873	1.9
300.19043	6.7
317.75537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03456	4.8
59.01387	1.0
69.03446	0.6
71.05029	1.4
83.05029	4.9
95.05032	0.5
97.06599	7.5
100.45188	0.5
106.32589	0.5
109.06598	1.7
111.08172	28.0
112.08466	0.7
118.47709	0.5
123.08206	4.4
125.09734	59.2
126.10062	2.1
127.11314	0.7
137.02417	0.5
138.05656	1.0
169.08711	1.5
169.12407	0.8
173.02393	0.5
183.13853	1.3
216.26515	0.4
227.16513	0.4
237.18620	19.0
238.19043	0.9
255.19563	2.8
263.16397	0.8
281.17603	21.7
282.17944	1.0
284.03308	1.1
299.18665	100.0
300.19000	6.5
323.33890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26405	1.2
57.03445	5.4
59.01383	16.3
71.55035	1.0
72.23021	1.0
83.05025	1.1
85.02943	1.3
95.05067	1.6
97.06593	13.6
100.47883	1.1
123.08147	8.6
125.09734	100.0
126.10056	2.2
138.05634	1.7
142.62273	1.0
169.08713	3.2
173.50403	1.1
174.99249	4.2
175.97308	1.1
187.09674	2.0
203.81656	1.1
217.00301	15.0
233.67581	1.0
237.22227	4.7
255.23233	3.3
269.08862	1.2
271.02490	2.9
271.22794	3.2
281.21033	1.1
284.03192	7.1
299.02271	1.9
299.05530	5.6
299.22247	29.4
299.25861	23.0
300.22607	2.8
300.26007	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	299.223
Annotation	ROCCELLIC ACID
Peak:m/z	Relative Intensity
51.42220	0.3
55.32669	0.3
58.00593	1.2
58.00877	0.3
59.01377	3.8
71.53988	0.4
72.99315	0.5
81.58667	0.3
90.65853	0.3
101.56087	0.3
138.29120	0.4
151.29669	0.3
163.67073	0.3
174.99275	1.2
179.68781	0.3
200.85735	0.4
217.00316	4.8
223.20737	1.8
225.22235	4.1
226.22453	0.4
227.07249	0.5
237.22240	1.0
238.70097	0.3
240.60074	0.3
251.20128	0.6
253.21701	4.8
254.21992	0.4
259.71722	0.4
263.20023	0.5
269.21213	3.6
271.02451	0.5
281.21286	3.1
284.03299	1.1
297.20755	2.2
299.22284	100.0
300.22629	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	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03442	1.3
57.83242	1.2
58.00601	4.7
58.02972	4.5
59.01385	86.4
59.67596	0.8
60.01702	1.3
68.01418	2.7
71.01390	51.9
71.32691	1.9
72.99332	4.4
73.02953	1.7
77.96630	0.8
81.76801	0.8
83.01403	1.3
84.04556	1.0
85.02951	10.9
87.00875	2.1
87.05662	1.8
89.02454	71.8
93.03440	1.2
95.01407	3.1
97.04119	1.0
101.02457	28.1
101.07215	2.1
107.05035	1.6
110.02503	6.0
113.02467	19.5
119.03515	28.9
119.05003	12.8
123.03288	5.6
124.04140	1.1
127.05165	2.1
129.06728	1.7
130.08751	14.6
131.03522	1.9
136.07695	1.8
137.02451	2.3
137.04947	1.2
137.06107	4.7
138.05620	100.0
143.03517	3.4
143.11919	11.9
149.04579	1.7
161.04578	2.4
167.05894	1.8
169.06190	2.9
169.09888	1.5
179.05656	3.7
180.06667	4.2
214.15633	23.6
217.00270	2.7
230.05675	0.9
243.11891	1.2
255.11545	1.1
255.90222	1.0
256.16675	1.7
261.90482	0.9
272.73383	1.1
284.03333	1.9
284.06598	0.9
291.86365	1.1
299.05655	1.3
299.11398	9.8
299.14655	1.4
299.22440	1.2
300.10919	18.3
300.15659	30.1
316.70746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01388	19.7
69.98084	2.3
72.99297	0.9
75.00896	0.7
81.03470	1.0
83.05048	3.3
89.70766	0.5
90.97191	0.5
106.47894	0.5
110.68393	0.5
121.02962	1.7
138.05627	1.6
174.99242	5.8
195.17535	1.4
197.19061	0.6
208.30362	0.5
209.19098	1.4
211.20757	1.1
217.00316	18.2
218.00742	1.0
225.18605	0.7
237.18552	2.5
237.22141	0.5
241.18138	1.3
253.21783	1.8
255.19669	100.0
256.20020	5.6
265.84708	0.6
271.02594	0.7
271.19168	3.1
284.03299	4.0
284.07318	0.5
299.02060	1.3
299.05685	2.4
299.18683	9.3
299.22275	15.2
299.25583	1.0
300.22568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03444	0.9
58.00603	3.9
59.01382	77.5
60.06231	0.7
69.42416	6.1
71.01386	42.7
72.99298	3.0
73.02940	1.3
83.01385	2.3
85.02962	7.7
87.00885	1.3
89.02451	58.2
91.34679	0.7
93.03477	9.9
95.01415	3.5
96.96027	1.0
101.02452	25.3
113.02460	17.7
119.03525	23.3
119.05025	29.8
123.03280	9.7
124.26037	0.7
125.02421	0.9
131.03529	1.9
137.02449	15.9
137.06078	2.6
138.05621	100.0
143.03529	1.8
149.04587	1.7
161.04573	2.7
179.05649	3.2
180.06709	2.2
190.94441	0.7
299.11362	3.8
300.10876	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01865	0.8
57.03444	0.9
58.00603	3.9
59.01382	77.5
60.06231	0.7
69.42416	6.1
71.01386	42.7
72.99298	3.0
73.02940	1.3
83.01385	2.3
85.02962	7.7
87.00885	1.3
89.02451	58.2
91.34679	0.7
93.03477	9.9
95.01415	3.5
96.96027	1.0
101.02452	25.3
113.02460	17.7
119.03525	23.3
119.05025	29.8
123.03280	9.7
124.26037	0.7
125.02421	0.9
131.03529	1.9
137.02449	15.9
137.06078	2.6
138.05621	100.0
143.03529	1.8
149.04587	1.7
161.04573	2.7
179.05649	3.2
180.06709	2.2
190.94441	0.7
299.11362	3.8
300.10876	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
54.90381	0.6
59.01383	2.6
71.01401	1.4
71.23711	1.2
78.95913	0.9
79.29224	0.6
84.11830	0.6
93.03468	93.0
94.03802	2.0
96.96002	0.8
101.38712	0.6
113.02494	0.8
119.60437	0.6
135.04553	3.1
136.04860	1.2
137.02457	100.0
137.05064	2.1
138.02834	2.6
146.64642	0.6
150.23088	0.6
201.14673	0.5
217.00351	1.4
234.85561	0.5
253.56779	0.6
284.39325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64412	1.6
52.89056	1.8
57.73228	1.6
59.01375	3.6
66.50491	1.9
69.59962	7.6
69.60372	3.6
77.82481	1.7
78.95905	4.3
83.85622	1.7
89.02412	1.8
93.03464	86.2
94.03017	1.8
94.03793	2.5
96.96960	2.0
117.04929	1.6
135.04518	16.7
136.04861	10.2
137.02458	100.0
137.05019	6.8
138.02802	3.0
138.05568	2.2
177.04085	1.7
227.44025	2.6
284.03375	3.1
299.07816	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.61237	0.3
57.03458	0.5
61.33332	0.3
70.60762	0.5
75.72235	0.3
96.37599	0.3
151.28929	0.3
237.22214	0.9
253.21521	0.3
253.25406	1.0
269.95859	0.3
297.24359	100.0
298.24689	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	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03442	0.5
59.01390	2.7
59.84229	0.4
71.01392	0.7
89.02456	0.5
96.86758	0.3
96.96022	0.4
99.00900	0.4
101.02464	0.6
109.19041	0.4
109.37032	0.3
125.09708	0.7
127.11353	0.3
141.12874	0.5
149.00888	0.4
169.16040	0.4
171.10347	0.5
183.01208	4.0
184.01988	0.5
237.09660	0.6
239.03596	0.6
245.56403	0.4
251.23717	0.5
253.21919	0.4
253.25410	1.6
264.98395	0.4
267.02994	0.4
269.24939	0.3
270.10968	0.3
279.23288	0.8
282.05353	1.0
297.04587	1.7
297.07635	0.7
297.15353	7.5
297.24365	100.0
298.15631	0.6
298.24686	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	299.0775
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
53.61928	0.3
58.00589	0.9
59.01386	19.2
60.01728	0.4
65.03954	0.5
68.90332	0.3
70.30855	1.4
71.01392	13.3
72.99309	0.5
73.02972	0.8
83.01396	0.8
85.02967	3.2
87.00906	0.6
89.02453	14.8
93.03468	59.3
94.03797	1.3
95.01414	0.8
97.02968	0.3
99.00904	0.6
101.02455	8.2
105.28244	0.3
113.02460	5.2
119.03535	5.8
119.05035	8.4
123.03294	5.1
137.02460	100.0
138.02809	2.8
138.05626	49.2
143.03467	0.6
149.04518	0.5
152.07155	0.5
153.01952	0.4
161.04613	1.2
164.27441	0.3
174.99086	0.4
179.05634	0.7
180.06705	1.2
217.00258	0.6
270.53323	0.4
299.07770	1.3
299.11441	1.0
300.10947	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	297.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36466	0.6
59.01371	1.1
70.28355	2.1
119.31938	0.7
136.19234	0.6
183.01170	4.2
197.02791	1.1
235.20691	26.5
236.20949	1.5
251.20120	1.2
253.21738	100.0
254.22079	7.2
279.19696	2.6
297.15634	8.4
297.20740	52.0
297.24231	3.8
298.21014	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	297.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
59.01552	1.4
69.80866	1.7
69.81269	1.8
73.16581	0.7
94.97623	0.7
170.00490	0.8
170.40224	0.7
173.03476	0.7
183.01219	25.4
197.02696	1.4
225.05717	0.7
235.20679	32.7
236.20959	1.5
253.21744	100.0
254.22072	6.7
279.19739	3.6
282.05432	1.2
297.08102	1.0
297.15405	41.8
297.20718	58.7
297.24338	5.6
298.15686	3.5
298.20947	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.11628	0.2
50.50312	0.3
51.97378	0.2
57.03457	0.5
59.01366	0.8
62.45788	0.3
66.05591	0.3
70.95108	0.5
107.72341	0.2
183.01212	3.2
184.01962	0.8
251.23782	1.2
253.21475	0.3
269.21411	0.4
279.23306	1.1
295.22757	0.9
297.15363	6.8
297.24350	100.0
298.15573	0.7
298.24713	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	297.2072
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
57.03460	3.3
59.01388	9.4
61.98831	3.7
65.02039	0.6
69.99770	0.9
70.00169	1.5
71.01392	2.3
71.05019	0.6
81.17742	0.6
83.05047	0.6
89.02438	1.2
98.20622	0.9
101.02454	1.3
113.02428	1.0
127.11320	0.8
141.12898	1.0
160.09622	0.6
161.04593	0.8
168.14755	0.8
211.04039	0.7
214.89751	0.7
215.16586	0.6
235.20674	35.4
236.21048	1.8
237.09720	1.4
239.03471	1.2
251.20247	1.2
253.21773	10.2
254.22084	0.9
255.19778	0.9
267.03378	0.6
269.21219	1.0
279.19666	20.9
280.19904	1.8
282.05313	2.6
297.04474	1.0
297.07703	2.4
297.15289	3.3
297.20740	100.0
297.24197	7.4
298.21051	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69493	0.3
55.20732	0.4
55.94373	0.3
57.03442	1.2
58.44341	0.3
59.01376	2.1
71.01402	0.5
71.46484	0.5
71.46871	0.3
81.03461	0.3
83.05029	0.4
96.59434	0.3
101.02518	0.5
110.47064	0.4
127.11257	0.5
149.00969	2.5
161.04536	0.4
183.01192	0.8
197.02797	1.3
222.03633	0.4
230.02330	0.3
233.19110	0.4
235.20679	31.7
236.21045	1.9
251.20186	1.6
253.21742	19.4
253.24486	0.6
254.22121	1.2
261.18652	0.6
264.98505	1.3
269.21127	0.4
279.19678	14.2
280.20032	0.8
281.01654	0.7
282.05331	1.0
297.04785	3.5
297.15274	4.0
297.20728	100.0
298.04611	0.4
298.21060	6.8
299.02591	0.8
315.05692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72560	0.7
53.87938	0.6
59.01381	1.3
63.80417	0.5
65.38665	0.7
71.54793	1.1
79.95743	1.5
85.84906	0.6
94.61769	0.6
98.77020	0.6
112.40567	0.7
115.79151	0.6
119.05052	0.8
148.83861	0.6
153.57884	0.6
170.00458	1.9
183.01213	48.9
184.01944	4.5
197.02798	2.4
198.03508	0.7
200.12666	0.7
216.00957	2.5
230.02563	0.8
232.15883	0.6
233.18983	0.7
263.92136	0.6
297.15311	100.0
297.24329	2.7
298.15659	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	297.1709
Annotation	Tetranor-PGD1
Peak:m/z	Relative Intensity
57.03398	1.1
57.91874	0.4
59.01308	3.3
69.03423	0.8
71.01346	0.6
71.02663	1.0
71.04976	0.8
83.04998	0.5
89.02374	1.1
96.46666	0.4
101.02334	0.6
118.65320	0.5
135.04405	0.5
164.51172	0.4
169.00171	0.4
181.15929	1.8
193.15891	0.7
195.17433	0.5
207.17500	0.7
209.19125	2.2
217.15952	0.7
223.17015	0.7
225.18509	0.5
235.17018	3.8
237.09727	0.9
247.35719	0.5
253.18105	100.0
254.18471	6.4
279.16037	4.9
279.19717	1.2
280.16586	0.5
282.05380	1.1
287.42349	0.5
297.07907	1.3
297.17148	78.3
297.20712	12.1
297.24323	2.4
298.17459	5.1
298.20734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0981
Annotation	Picein
Peak:m/z	Relative Intensity
51.06519	0.1
58.54736	0.1
59.01381	1.6
62.25413	0.1
70.67078	0.3
71.01389	0.8
75.63110	0.1
78.57296	0.1
78.95918	0.2
81.93098	0.1
85.02952	0.2
89.02440	0.8
91.05506	0.1
93.03459	0.1
101.02452	0.5
107.05022	0.5
112.09153	0.1
113.02473	0.3
117.03490	0.1
119.03512	0.3
134.03758	1.8
135.04533	100.0
136.04860	3.6
136.05907	0.1
147.08209	0.1
161.04518	0.1
179.05688	0.1
191.05589	0.1
200.35960	0.1
205.12361	0.1
237.09863	0.1
278.87115	0.1
297.09579	1.4
297.24323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99883	2.0
59.01385	17.2
71.01388	7.2
71.56683	2.9
75.00857	3.3
85.70738	2.5
85.98765	2.7
89.02443	8.1
93.03488	3.4
96.96021	100.0
101.02441	6.6
109.02932	4.6
113.02443	3.8
121.06571	2.3
123.04482	3.0
135.04541	5.3
146.03722	3.3
147.04578	2.7
161.04593	2.2
171.10295	3.6
178.37485	2.6
209.05983	2.9
217.10797	7.8
282.05154	4.2
297.06522	23.9
297.13766	5.7
297.24329	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01884	1.5
55.28465	0.4
55.93820	0.4
57.03453	1.5
58.00600	2.2
58.61660	0.4
59.01383	100.0
59.97085	0.5
60.01720	1.6
69.90089	0.4
71.01385	34.9
71.24235	0.6
71.54633	0.7
72.01738	0.8
72.99306	2.5
73.02948	6.7
75.00885	1.8
82.80371	0.4
83.01379	3.0
85.02959	10.6
87.00900	2.0
89.02451	36.4
90.02787	0.6
95.01400	2.8
97.02960	0.6
99.00922	1.7
101.02451	26.0
102.02757	0.6
103.04036	0.8
113.02456	14.0
117.05611	1.1
119.03513	15.2
119.77393	0.5
122.03635	0.7
125.02467	0.8
131.03519	1.6
135.04559	1.6
135.06651	15.1
143.03505	2.7
149.04567	1.0
159.03011	1.2
161.04565	12.5
175.99063	0.5
178.75699	0.4
179.05617	8.2
193.03673	2.1
198.90755	0.6
233.68640	0.5
237.09813	13.3
297.11902	26.5
298.12186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01374	1.9
82.72511	0.4
83.05024	0.7
96.95998	1.3
97.06559	0.5
98.95597	6.9
98.96442	1.2
109.06554	0.5
111.27020	0.5
127.11301	0.9
128.45384	0.4
139.11308	0.6
141.12865	9.7
155.14426	3.5
218.45731	0.5
220.38469	0.5
249.22260	9.0
250.22572	0.5
277.21661	0.9
295.18085	4.2
295.22800	100.0
296.23132	7.5
299.80139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02456	0.2
58.15849	0.2
62.86728	0.2
69.43115	1.4
75.72662	0.2
79.95750	0.7
86.09691	0.2
96.96021	100.0
97.95970	0.4
141.77971	0.2
143.63722	0.2
155.10812	2.6
171.10283	3.0
199.09865	0.4
217.10818	8.9
297.06516	22.9
298.06876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0772
Annotation	Alfalone
Peak:m/z	Relative Intensity
59.01390	1.0
63.02407	0.3
65.00319	1.4
71.01390	0.2
81.03481	0.2
83.01388	0.7
89.02422	0.2
89.52642	0.1
93.03434	0.2
103.05546	1.5
105.03484	1.1
107.01398	2.5
119.05035	1.0
121.02980	0.3
123.04527	1.7
132.02188	0.1
135.04539	0.1
146.03819	0.2
147.04547	6.2
148.04854	0.3
149.02455	4.0
151.00383	9.6
152.00725	0.2
161.02444	0.3
161.04619	0.2
163.03973	0.2
190.02727	2.8
191.03519	100.0
192.03859	4.2
267.03122	0.2
282.05374	0.4
297.07709	7.7
297.17163	0.8
297.20508	0.3
297.24341	0.5
298.08069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03465	1.1
59.01378	4.8
59.70005	0.7
63.62574	0.9
69.38226	6.7
74.85651	0.7
78.28416	0.8
93.18458	0.9
98.19868	1.4
105.72882	0.8
125.09668	1.2
125.42817	0.8
155.14427	1.5
171.10297	30.9
183.10275	2.1
195.13974	2.0
213.18558	1.3
223.16296	1.0
235.20767	0.9
251.20142	1.1
251.23822	1.3
267.23306	0.9
277.21744	36.7
278.22168	2.1
278.28589	0.8
295.22803	100.0
296.23199	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73730	0.6
57.03450	0.6
59.01371	2.4
70.22661	1.4
77.33177	0.5
95.05027	0.5
97.06666	0.6
98.19921	0.6
100.60404	0.5
101.14878	0.5
125.09712	1.2
141.12799	0.7
171.10281	34.4
172.10591	1.5
195.13947	1.3
214.36305	0.6
277.21738	52.3
278.22229	4.0
295.22806	100.0
296.23135	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01390	2.0
59.37325	0.3
59.84189	0.4
62.18517	0.3
66.96680	0.3
70.19788	1.3
71.01379	0.5
80.51675	0.4
97.06593	0.5
113.09752	2.3
119.33530	0.3
120.93303	0.3
135.77888	0.3
171.10339	0.4
177.12880	0.6
179.14420	1.0
181.12299	0.7
195.13918	19.2
196.14227	0.9
215.82294	0.4
259.20761	0.4
277.21738	18.4
278.21933	1.7
292.87881	0.3
295.22791	100.0
296.23102	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92763	1.0
59.01385	100.0
69.70143	6.1
71.01376	2.5
95.06526	0.8
98.19916	1.9
101.02444	1.4
103.07462	0.8
111.64435	1.0
112.36775	0.9
124.13663	0.9
205.42006	0.9
235.11784	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	295.1917
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
52.53071	0.4
57.03424	0.4
58.30131	0.4
59.01363	1.5
62.49709	0.4
63.40730	0.4
83.53132	0.3
99.00916	2.1
106.04180	0.5
106.85177	0.3
110.03727	3.1
123.04520	2.0
136.05276	1.1
142.02722	5.2
195.17554	2.8
221.15387	0.4
233.19104	4.7
249.18608	0.5
251.20174	37.4
252.20551	2.3
252.22797	0.4
267.19708	3.4
277.18100	76.9
278.18396	5.5
295.19162	100.0
296.19504	8.8
296.22821	0.8
313.99057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89651	0.8
55.01881	1.3
57.03443	1.2
58.00589	3.0
59.01383	92.8
60.01704	0.9
69.93097	2.1
69.93476	1.6
70.10408	0.8
71.01387	44.6
71.42841	0.8
72.99303	2.8
80.72570	0.7
83.01373	2.3
85.02961	6.7
87.00880	2.0
89.02449	58.9
95.01386	3.0
101.02447	27.7
113.02454	17.8
115.04027	1.8
116.65378	0.8
119.03508	25.4
131.03531	1.2
133.05061	1.5
143.03548	1.2
149.04553	2.0
161.04559	2.0
167.89005	0.7
175.11295	1.0
179.05606	3.6
195.31429	0.8
288.89877	0.8
295.10342	100.0
296.10712	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47478	0.6
55.01871	0.8
55.49381	0.7
57.03438	1.4
58.00597	2.4
59.01384	64.7
69.24487	0.6
71.01387	33.4
71.05017	1.2
71.29147	0.9
72.99315	1.4
73.02950	1.7
75.00872	6.7
83.01400	2.0
85.02949	8.5
87.00882	1.6
87.04508	1.5
89.02450	41.5
89.34682	0.7
90.02779	0.7
95.01390	2.1
101.02444	21.0
111.27697	0.8
112.26015	0.7
113.02444	11.9
115.00370	0.7
115.04031	5.9
119.03509	17.5
131.03511	1.2
133.05070	9.2
143.03522	1.6
149.04581	1.7
161.04582	1.3
164.03696	0.7
179.05603	3.1
237.06177	3.6
242.75584	0.7
295.10349	100.0
296.10703	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88344	0.5
57.03447	0.8
59.01389	4.3
60.99296	0.6
62.18310	0.4
67.01897	5.2
69.03451	0.9
70.31522	1.6
71.01391	4.1
72.99321	0.5
81.03455	0.9
82.11459	0.4
83.05035	1.3
85.02942	0.9
87.00904	0.5
93.03470	26.1
94.03800	0.7
94.59486	0.4
96.96020	46.1
101.02469	0.6
109.02957	0.9
111.00876	1.1
111.04533	4.9
113.02523	0.5
114.93739	0.4
121.02968	24.2
122.03269	0.6
125.09706	1.4
137.02443	4.9
153.09279	0.8
155.03502	4.5
171.10339	0.5
173.04561	100.0
174.04877	2.6
215.09264	6.5
229.01378	0.4
246.25244	0.5
251.12984	0.5
272.87177	0.4
295.04968	10.9
295.08252	3.3
295.11877	1.1
295.15320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
57.03451	2.9
58.00590	2.0
59.01384	56.4
60.01709	0.7
62.59070	0.6
64.64374	0.4
69.03477	0.6
69.07585	0.4
71.01389	31.6
71.05011	0.6
71.31190	1.1
72.99304	2.9
73.02951	2.1
75.00877	9.9
78.95905	6.2
83.01402	2.2
85.02959	13.0
87.00883	2.0
87.04104	0.5
87.04530	5.4
89.02451	31.5
90.02776	0.6
95.01408	2.3
96.95978	0.7
96.96972	1.1
97.02979	1.1
99.00889	0.6
101.02454	18.3
113.02458	11.0
115.00367	3.8
115.04027	12.2
119.03515	12.3
131.03502	1.4
133.05078	24.2
134.05359	0.6
143.03482	1.1
149.04521	1.1
158.92567	0.6
161.04567	1.6
179.05634	1.2
186.00986	0.4
197.02197	3.5
237.06209	5.1
294.99765	1.7
295.10349	100.0
296.10690	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	293.2125
Annotation	3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
Peak:m/z	Relative Intensity
52.97832	0.4
53.13114	0.4
55.01886	0.9
64.92297	0.4
66.80756	0.4
69.03476	2.1
71.01387	0.9
71.05038	5.2
79.95727	2.9
80.02684	0.5
81.03470	1.1
83.05024	0.6
96.04928	0.4
96.96021	100.0
136.08943	0.8
177.09258	0.6
192.11588	1.1
193.16016	1.2
193.50494	0.5
205.12375	0.8
220.14674	5.6
221.15453	10.0
222.15939	0.5
229.36806	0.6
236.10574	7.7
237.11082	0.7
247.20808	1.1
249.22249	54.2
250.22598	3.1
275.20200	0.8
293.18030	73.8
293.21326	15.3
294.18369	4.0
294.21490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63228	0.5
57.03452	5.9
59.01382	3.7
61.98843	0.6
64.77160	0.4
65.76859	0.5
69.03445	0.7
69.69423	3.1
71.01391	3.0
76.29971	0.5
79.36622	0.4
85.06607	0.7
89.02453	0.9
95.05023	0.6
96.96037	0.9
97.06577	1.2
109.06564	0.7
113.09738	18.2
114.10021	0.6
121.10216	1.2
131.03487	0.5
135.11804	0.6
139.11247	2.0
144.82883	0.5
149.09744	0.9
152.91763	1.4
167.10844	2.6
171.10307	3.1
177.09166	2.0
177.12819	1.4
179.10715	2.6
185.11751	0.7
192.11589	2.4
194.92857	0.5
195.13840	2.8
205.12357	1.5
205.92635	0.5
218.09659	0.6
220.14696	10.7
221.15488	21.0
222.15807	0.8
235.13474	0.7
236.10548	15.5
237.11041	1.2
249.18541	1.4
249.22260	1.8
275.20114	3.0
293.14157	2.2
293.17679	5.5
293.21231	100.0
294.21503	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.61669	0.5
57.03436	0.9
59.01391	2.5
61.98840	0.9
69.03460	0.8
71.01379	2.7
71.56627	0.7
72.99287	0.6
73.94408	0.5
75.30217	0.6
80.68096	0.5
85.93824	0.6
89.02445	1.1
96.96004	2.0
100.70066	0.6
113.09737	0.7
121.10201	0.7
121.26398	0.6
122.29811	0.5
125.09735	0.7
136.08932	0.9
139.11288	2.8
153.12863	2.1
171.10359	1.0
177.09055	0.7
191.18042	2.5
192.11574	2.2
192.14586	0.5
193.16029	2.1
205.12375	1.4
211.17065	1.6
220.14688	9.4
221.15471	17.2
222.15738	0.8
236.10547	13.3
237.10912	0.8
247.20609	2.8
249.22179	1.1
275.20264	0.9
293.17938	6.0
293.21252	100.0
293.24783	6.7
294.21561	7.4
294.24811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45684	0.2
51.31770	0.2
51.38743	0.3
59.01352	0.3
71.01388	8.4
84.34498	0.3
92.10709	0.2
98.19872	0.8
127.07655	0.9
146.96396	0.2
148.05298	1.2
151.07607	0.5
164.08374	1.4
177.09216	5.6
178.09593	0.4
190.10086	0.3
191.10652	0.3
192.11574	7.3
193.12105	0.7
205.12354	7.7
206.12857	0.4
207.13799	1.3
217.08723	0.7
218.09486	2.2
220.14700	48.9
221.15474	100.0
222.15811	6.7
229.57909	0.3
235.13376	1.1
236.10551	69.0
237.10928	4.5
253.14354	0.3
293.17645	8.3
293.20673	0.4
294.17883	0.7
314.22681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.57525	1.3
59.01365	2.7
62.21055	1.4
67.58205	1.2
70.30521	4.5
89.15322	1.2
96.23335	1.3
98.20006	1.5
113.11330	1.4
121.10251	43.6
122.10555	1.5
123.08228	1.4
127.11328	1.4
171.10278	81.7
172.10587	2.5
185.11855	3.8
221.15639	2.1
231.21120	2.6
249.66486	1.3
275.20181	100.0
276.20633	6.6
293.21265	65.9
294.21564	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.36329	0.7
56.21531	0.6
59.01366	1.7
69.03463	0.9
70.60825	2.3
85.55425	0.7
98.20562	0.8
121.10296	0.9
130.61807	0.7
171.10403	1.5
179.14430	1.5
195.13925	14.2
196.14505	1.7
214.77689	0.7
223.13406	12.0
228.13637	2.0
256.13226	3.8
275.20175	11.1
276.20609	1.0
293.21259	100.0
294.21576	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49645	0.5
55.74085	0.5
57.03455	3.6
57.16264	0.5
59.01371	2.3
59.01657	0.5
70.21491	1.3
71.01380	0.7
74.31877	0.5
76.43977	0.5
109.06558	0.7
113.09736	12.8
121.10223	1.5
122.10589	0.6
125.09714	1.6
135.11865	0.6
138.94402	0.6
139.11284	1.8
149.09732	1.8
167.10776	1.4
171.10266	4.2
178.01180	0.5
179.10776	1.5
185.11838	4.3
195.13870	1.7
197.11835	1.5
197.86952	0.6
220.14751	1.1
221.15462	2.6
236.10555	1.7
249.22231	1.5
275.20117	5.6
293.21240	100.0
294.21649	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81858	0.4
57.03441	1.7
59.97400	0.4
70.99204	0.7
70.99537	0.7
71.63306	0.4
97.06591	0.7
107.19120	0.4
113.89584	0.4
123.08241	1.0
125.09712	4.6
141.12851	1.2
142.22116	0.4
149.09726	2.0
182.16435	0.5
185.11845	10.7
197.11781	2.9
201.92537	0.4
220.14635	0.7
221.15483	1.6
236.10643	1.2
249.22188	1.1
275.19971	0.6
293.21249	100.0
294.21555	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.00609	1.4
59.01385	39.0
69.35264	0.5
71.01009	1.2
71.01390	18.7
71.10903	1.1
71.11244	0.9
71.30311	0.5
72.99316	1.1
73.02949	1.6
83.01402	1.3
85.02957	4.7
85.06596	13.9
86.06913	0.7
87.00886	1.6
89.02454	21.5
95.01398	1.4
99.00850	0.7
101.02450	13.3
113.02455	7.3
113.06106	3.7
114.02832	0.5
115.07656	1.9
119.03516	8.3
122.66956	0.6
125.57758	0.5
127.07685	1.7
131.07150	61.8
132.07486	1.7
158.72061	0.6
161.04639	0.9
173.08191	1.8
184.38062	0.6
293.12448	100.0
294.12775	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	293.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
69.34771	2.5
71.01389	0.7
98.19921	0.5
111.80330	0.3
136.08955	3.9
152.27737	0.3
169.12296	0.4
177.09250	0.6
192.11577	3.2
193.15981	8.8
194.92740	0.4
197.15501	1.8
205.12306	0.4
220.14668	2.9
221.15474	5.6
222.15805	0.4
223.17078	0.7
225.18613	21.0
226.18990	0.5
231.10156	0.3
236.10493	3.5
237.14813	0.6
243.13684	2.4
245.15208	5.6
246.15698	0.4
249.18613	3.2
259.13113	0.6
261.14703	0.4
265.17883	4.4
275.12616	1.5
275.16336	1.0
277.14246	7.2
277.16837	0.3
279.15756	1.8
293.17374	100.0
294.17737	5.7
307.15390	0.4
309.16873	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	292.1922
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02974	1.7
59.01401	1.5
61.24136	0.6
66.96352	0.6
71.01385	1.2
76.19774	0.6
86.80180	0.5
91.34229	0.6
94.20181	0.6
97.02964	0.6
107.56454	0.6
120.58057	0.6
125.09712	0.9
145.89703	0.6
152.91768	0.8
156.13951	100.0
157.14262	3.0
185.11810	2.0
192.11598	0.8
194.92795	0.8
200.12979	4.4
220.14671	4.6
221.15477	7.8
236.10550	7.3
292.16504	1.0
292.20013	4.6
293.14545	0.9
293.17746	3.2
293.21188	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	293.107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81988	1.1
59.01365	4.2
60.97526	1.6
62.97950	1.0
69.82330	5.1
71.01379	3.6
72.00399	5.1
72.97530	4.6
73.01170	1.9
73.98308	1.6
85.02930	1.2
86.99081	1.0
87.00881	30.5
89.02443	1.5
90.98600	100.0
101.02447	1.5
110.38937	1.1
113.09711	2.2
114.65143	1.1
117.00175	2.6
121.03003	1.2
125.02477	2.5
134.03719	2.6
135.01228	6.6
135.04562	1.3
143.09006	97.4
144.09293	3.3
149.09917	1.0
151.04007	1.8
159.08508	5.7
160.99202	1.4
161.02477	1.1
161.10063	76.6
162.10278	1.4
179.00204	31.3
180.48766	1.1
187.07968	24.8
192.92183	1.2
205.09048	19.8
221.15375	1.1
231.08307	1.5
231.10585	27.8
231.33902	1.0
232.10876	1.6
249.11646	15.7
275.09537	7.4
293.10779	24.1
293.13861	3.8
293.17340	2.4
293.20886	1.3
294.10962	1.9
296.13904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01364	0.5
69.32777	3.2
73.02953	47.7
74.03297	0.5
76.66427	0.4
78.49973	0.4
88.45006	0.4
103.06155	0.4
111.64504	0.4
121.02988	1.2
130.47333	0.5
199.40715	0.4
209.04558	1.0
291.19684	100.0
292.20041	8.0
307.41647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01560	1.3
67.01876	3.4
69.56623	3.6
69.57040	5.7
70.03011	1.4
72.00908	5.9
72.04561	3.9
82.02995	76.3
83.01396	13.5
84.04548	8.7
88.44049	1.3
91.05553	5.0
94.02994	7.4
98.02494	23.9
99.00912	2.9
100.04065	11.7
103.05614	2.0
111.03268	18.5
118.06641	7.4
119.62499	1.4
120.05395	2.0
126.01965	3.6
127.00406	7.7
143.08618	1.6
144.08186	2.4
146.03281	1.8
147.04550	37.6
148.04805	1.4
156.08214	1.9
157.06638	1.4
159.08083	2.2
164.07175	43.2
184.07706	26.3
185.08031	1.9
186.09262	14.0
202.08757	22.4
230.08231	21.3
246.07718	100.0
247.08043	4.3
248.09242	4.5
274.07248	36.0
275.07639	1.7
292.08362	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
63.01225	0.5
69.91467	0.5
71.01414	0.8
84.34830	0.5
121.10294	0.7
122.60861	0.5
152.91743	1.0
156.13951	100.0
157.14337	2.9
177.09167	1.1
183.49763	0.6
192.11676	0.8
200.12912	5.1
220.14714	6.7
221.15497	10.9
229.03830	0.6
236.10593	8.8
292.19983	4.1
293.08948	0.7
293.17627	2.4
293.21249	3.5
299.65302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01382	0.5
61.21704	0.3
69.32947	2.5
71.01379	0.3
90.20315	0.3
95.05007	0.5
97.06567	0.7
98.20674	0.6
119.05034	0.7
125.06102	0.4
130.72607	0.3
148.08954	1.6
150.10516	1.3
151.11276	0.4
163.11275	0.8
165.12851	21.5
166.13194	1.0
175.11246	0.5
176.12123	0.5
179.14540	0.5
191.14424	0.8
209.04565	0.4
217.15962	0.6
223.13344	0.5
247.20676	11.4
248.20903	0.7
273.18625	6.4
291.19672	100.0
292.20004	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25226	0.4
57.03447	2.1
59.35688	0.4
70.29913	1.7
88.22113	0.5
93.07107	1.7
97.06602	2.0
98.19960	0.7
121.10247	15.3
123.08180	1.0
125.09736	7.8
141.12857	1.3
149.04153	0.5
156.73923	0.5
165.12891	0.6
179.66307	0.5
185.11853	16.2
186.12210	0.7
197.11856	3.2
209.11870	1.8
211.13388	1.9
223.13409	1.1
247.13487	0.7
247.20738	1.2
272.67188	0.5
273.18674	1.1
289.17776	0.5
291.19687	100.0
292.19989	7.1
302.18768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37386	0.5
57.03436	1.3
57.07721	0.5
59.01378	0.9
60.13248	0.6
70.55407	0.7
71.01385	0.7
71.05027	0.5
83.05038	0.6
93.07078	0.6
95.05026	0.8
97.06596	1.6
111.08175	3.9
119.05012	0.5
119.08585	0.4
121.02968	1.8
121.10248	10.6
123.08174	0.9
125.09726	5.8
139.11328	0.5
141.12875	0.9
147.08118	0.7
167.10756	0.5
167.14418	0.6
177.12822	0.7
179.10770	0.7
185.11850	10.7
195.13902	1.4
197.11879	2.5
209.04503	0.8
209.11833	1.1
211.13380	1.4
223.13347	0.5
247.13432	0.6
247.20720	1.5
254.85672	0.8
273.18634	1.7
291.19681	100.0
292.20053	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	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
50.63775	1.3
51.01346	1.4
53.21619	1.6
55.01886	2.3
57.03455	2.2
58.00595	3.2
59.01386	100.0
64.10413	1.5
68.66714	1.4
69.55683	1.5
71.01385	71.9
71.53603	1.7
72.99311	5.8
73.02956	6.8
79.23242	1.7
83.01405	4.1
85.02962	16.2
87.00881	5.5
89.02454	82.1
93.03485	5.4
95.01392	6.3
99.00900	3.4
101.02454	37.0
106.66359	1.6
111.04546	10.9
112.54356	1.5
113.02462	28.4
115.92089	2.1
117.05612	5.3
119.00079	1.9
119.03519	31.4
119.04974	3.8
129.05589	5.1
131.03500	1.9
137.55133	1.4
143.03542	4.5
145.02948	2.0
145.89400	1.5
161.04562	7.9
163.04002	2.9
173.04553	15.0
179.05637	6.3
194.16449	1.6
258.23569	1.7
291.10861	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.3
59.01374	0.8
59.05479	0.3
65.98550	0.3
69.03456	1.0
70.24055	0.3
70.77686	0.7
71.05035	0.3
78.68526	0.3
83.05019	0.5
93.07101	1.3
95.05010	0.3
96.05176	0.3
97.06595	2.0
119.08695	3.7
121.02953	0.6
121.10247	12.1
122.10598	0.3
123.08156	1.0
125.09728	7.5
139.11275	0.7
141.12859	1.1
147.08136	0.7
167.10770	0.3
171.10291	4.1
175.14920	0.5
185.11850	17.0
186.12166	0.7
197.11847	3.9
209.11844	1.4
211.13374	1.9
223.13385	1.3
229.19691	2.2
234.29961	0.3
247.13310	0.5
247.16991	0.6
247.20686	2.8
248.11807	0.4
273.18607	6.1
274.19046	0.4
289.18265	0.6
291.19678	100.0
292.19998	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	291.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64135	0.2
57.50120	0.2
59.01392	0.4
59.96703	0.3
60.97515	0.5
69.31875	0.7
69.32288	1.0
74.99084	1.6
93.00131	0.4
93.03481	0.3
121.02948	0.8
121.51542	0.2
143.05322	0.2
149.00984	2.4
150.98924	0.3
157.01138	0.2
161.06393	1.2
192.98184	1.3
206.99686	0.4
209.01299	4.2
209.04530	0.8
210.01353	0.4
217.07185	1.8
225.00729	0.7
235.02837	0.3
275.06033	0.8
289.07596	2.5
290.07684	0.3
291.09134	100.0
291.19699	2.3
292.09259	9.2
309.10281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1199
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
52.58860	0.6
53.52334	0.6
59.01379	1.5
59.99250	0.6
60.74501	0.6
69.79124	1.4
69.79527	2.7
71.01401	0.8
80.05063	2.1
83.01382	1.3
89.76497	0.8
92.05076	4.4
94.03011	1.3
94.06634	14.1
95.01379	1.5
96.04591	0.8
98.20707	0.7
100.04094	0.7
104.05067	4.2
105.03492	3.6
106.02980	1.7
106.06635	49.3
107.01373	1.4
107.03773	1.4
107.06944	0.9
108.04585	5.0
110.02448	1.1
111.00876	1.0
115.00410	1.1
120.04572	16.0
121.05384	4.9
122.02495	2.1
122.06138	43.3
123.00878	1.3
123.03274	8.4
123.06457	1.1
124.01695	3.7
124.07676	2.7
125.02436	2.1
131.03755	2.3
132.04575	9.9
135.03232	1.9
135.04495	0.9
135.72771	0.6
136.04073	3.5
137.69655	0.7
138.05624	78.6
139.05948	2.1
140.07162	3.5
144.08186	1.2
147.03288	0.9
148.04060	3.9
150.05609	26.4
151.00403	4.4
152.01172	12.2
152.07286	0.7
159.06918	2.6
161.55502	0.6
166.05127	6.9
172.07657	1.3
173.08440	2.2
174.12889	4.3
184.11288	3.2
187.04022	0.8
187.09891	2.5
188.07143	2.8
189.07990	8.6
189.11385	0.9
190.12411	0.8
197.07207	1.0
198.04419	0.9
198.07997	1.7
202.08667	2.5
202.12386	9.4
203.09514	3.8
203.12675	0.7
212.09576	1.7
213.06676	4.5
213.10193	0.9
214.07408	0.8
215.11896	9.8
217.05486	1.3
217.07442	15.4
218.07741	0.9
218.11823	1.2
225.10419	0.8
226.07446	2.2
227.08202	1.8
227.11913	3.5
228.08951	2.2
229.09860	3.6
230.05899	1.1
231.08975	7.1
231.11388	2.5
241.06177	1.4
241.09854	13.2
242.06995	1.5
242.10405	1.6
243.11392	12.9
245.12939	1.8
246.11363	9.5
247.11659	1.1
253.09901	1.0
256.08450	1.8
259.10889	7.6
271.10898	26.0
271.63690	0.7
272.11157	1.3
274.04843	2.2
289.07278	20.9
289.11957	100.0
290.07507	1.4
290.12286	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	289.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
70.13877	3.1
75.79700	0.8
78.95924	3.4
85.02957	8.7
87.00901	1.6
93.03478	2.9
95.30132	0.8
96.96983	3.6
98.20628	1.4
100.98901	0.8
105.72348	0.8
127.04027	1.7
135.59401	0.9
146.25406	0.9
173.04543	1.7
191.05630	100.0
192.06033	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	289.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96296	0.7
70.53017	1.7
71.01390	0.8
77.08453	0.7
78.95922	3.2
84.95401	0.7
85.02956	6.9
87.00868	1.8
93.03472	1.9
96.96980	5.2
99.37234	0.8
105.70140	0.8
111.04556	1.3
123.24482	0.7
127.04060	1.2
143.62628	0.7
158.89673	0.7
173.04465	0.7
191.05627	100.0
192.05991	3.4
217.05215	1.7
228.56383	0.7
274.54660	0.7
289.03589	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01384	0.7
60.51168	0.4
71.01391	0.6
71.55472	0.7
71.55851	0.4
74.51007	0.4
85.02966	0.4
101.94583	0.4
109.02962	0.6
109.06569	0.6
117.07126	0.8
125.02452	1.7
134.02505	0.8
136.04047	0.8
183.17587	0.5
183.36661	0.4
185.15504	0.6
211.18756	0.8
211.20682	11.0
212.21002	0.5
225.18703	0.5
229.14322	0.5
237.18710	0.5
239.20163	8.5
241.17905	0.9
241.21747	23.5
242.22067	1.3
243.17458	0.5
248.15744	0.5
250.25005	0.5
285.20816	0.7
287.22293	100.0
288.16077	2.8
288.22650	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.14735	0.2
65.03963	0.4
67.13504	0.2
71.55413	0.3
77.04041	0.2
81.03445	1.3
85.46111	0.2
92.05067	1.1
93.03471	1.8
94.02977	0.4
106.88335	0.2
107.03797	0.5
108.02188	0.7
108.04565	5.8
109.02956	6.0
121.02953	0.7
124.01642	0.3
127.79078	0.3
134.02493	36.0
135.03299	8.9
136.04056	39.2
137.02464	1.6
137.04391	0.9
148.04074	1.2
149.04832	1.1
176.03537	4.7
177.04132	0.5
181.03790	0.4
190.05104	0.6
204.06718	0.6
261.14853	0.3
269.69006	0.2
288.16071	100.0
289.16397	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.61279	0.3
56.83142	0.3
57.05980	0.3
58.00591	0.4
59.01383	14.8
63.76894	0.3
65.71155	0.3
68.57931	0.3
69.17335	0.3
70.14706	0.3
71.55424	0.5
72.07178	0.3
85.06601	0.5
85.11370	0.3
87.72025	0.3
91.24818	0.3
100.51237	0.3
106.76106	0.3
109.02947	0.4
131.07141	1.2
172.45865	0.3
209.19215	0.5
211.20697	3.0
223.20709	0.4
227.20074	0.6
239.20117	1.1
241.21747	1.3
251.20108	0.8
255.19753	0.5
269.21219	9.2
270.21667	0.3
285.20746	4.1
287.22272	100.0
288.22626	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.19108	0.2
57.03428	0.3
59.01383	0.5
59.73201	0.2
64.84414	0.2
83.05034	0.3
95.82200	0.2
99.00875	0.4
109.13547	0.2
111.08163	0.4
113.09747	1.6
123.08121	0.2
125.09718	0.8
127.11284	2.6
141.09203	0.4
141.12859	0.7
143.10814	1.1
151.04047	0.3
159.10321	0.6
169.38812	0.2
187.13390	0.4
207.17526	0.5
225.18710	0.4
227.16531	0.5
239.20154	0.8
241.18095	0.6
241.21693	1.8
257.17596	0.5
269.18066	0.3
269.21207	2.7
270.21555	0.2
285.20758	1.7
287.22287	100.0
288.19418	0.4
288.22641	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	287.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
72.02065	0.3
140.63615	0.3
177.62785	0.3
195.17599	0.6
197.19127	1.0
207.17516	6.0
208.17924	0.4
223.17055	1.9
225.18614	25.1
226.18958	1.1
241.18100	36.9
242.18484	1.9
251.16609	0.7
269.17590	3.4
287.18652	100.0
288.19012	6.0
288.21979	0.6
294.16565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15913	0.5
59.01383	44.8
64.88985	0.5
71.01347	0.5
183.17490	1.0
207.17545	7.3
208.17873	0.8
209.15468	1.3
210.30740	0.5
225.18613	36.6
226.18942	2.0
227.16539	98.3
228.16933	5.1
248.74307	0.6
251.16376	0.8
269.17615	14.0
270.17874	0.8
287.18677	100.0
287.21902	6.5
288.19040	5.5
294.04959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1866
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
57.03460	4.7
59.01371	0.4
69.03477	0.4
83.05025	1.2
95.05038	1.9
97.06608	6.8
98.20676	0.7
99.08180	2.4
102.83852	0.4
111.08161	5.8
113.09738	1.7
115.07676	0.7
116.87989	0.3
125.09712	1.6
127.11272	0.8
131.07202	0.5
135.04514	1.3
139.11263	0.7
145.08684	1.1
151.00348	1.0
159.06641	2.8
168.48802	0.4
173.08217	4.4
181.15965	3.1
191.54953	0.4
197.15565	0.6
197.19142	0.5
201.13847	0.3
205.16046	0.4
207.17554	33.1
208.17886	2.1
223.16911	0.5
225.14992	8.2
225.18501	2.8
226.15294	0.5
229.08856	0.5
243.15961	2.6
243.19598	1.3
251.16548	25.0
252.16833	1.5
269.13940	10.2
269.17538	21.0
270.14383	0.8
270.17981	0.9
287.15094	15.3
287.18619	100.0
288.15631	0.8
288.18982	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1504
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03462	1.3
59.01385	100.0
60.01717	0.7
60.99313	0.6
69.49561	3.2
71.27218	0.5
95.05019	0.5
97.06573	0.6
98.20692	1.0
99.04511	2.1
135.04532	0.6
165.12846	2.0
173.04462	0.5
179.29596	0.5
187.45221	0.4
197.47821	0.5
207.13893	3.7
209.11855	7.0
210.15215	0.4
225.14987	7.0
226.15184	0.5
227.12904	50.9
228.13275	2.4
251.12892	1.8
269.13947	15.8
270.14258	0.5
287.15021	88.1
288.15363	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	287.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.2
59.01378	0.8
61.92814	0.3
69.03455	0.6
71.05022	0.5
71.56895	0.4
72.74776	0.4
83.01426	0.4
83.05035	3.0
85.06570	0.4
95.05039	3.3
97.06601	13.3
98.00087	0.8
99.08156	3.0
109.06579	0.8
111.08173	14.9
113.06109	0.4
113.09764	1.5
115.07652	2.5
123.08173	0.4
125.02379	0.5
125.09716	1.3
127.07652	0.4
127.11305	0.8
129.09230	0.6
131.07115	1.0
135.04558	1.9
139.11328	0.4
141.05605	0.6
145.08728	2.3
151.00388	1.3
159.06667	5.9
161.54686	0.3
173.08200	12.1
174.08511	0.3
181.15988	5.8
197.15497	1.2
197.19073	0.8
207.17546	31.7
208.17896	1.0
223.17027	0.6
225.14987	14.1
225.18442	3.1
226.15324	0.8
243.16029	5.3
243.19617	1.7
244.16438	0.5
251.16547	27.8
252.16812	1.3
258.58759	0.3
269.13959	18.6
269.17566	23.2
270.14200	0.8
270.17834	1.3
287.15057	30.8
287.18643	100.0
288.15366	1.7
288.18982	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58650	2.7
57.01912	2.3
57.02625	2.3
58.73727	2.7
58.99592	5.2
59.01359	2.9
69.19876	20.9
69.20278	4.6
71.01363	3.9
74.02477	30.7
74.65802	2.5
78.95889	4.5
82.02988	4.6
83.01373	2.9
85.96137	2.4
93.03487	6.3
96.04514	3.2
97.04068	3.9
99.05638	4.5
100.00413	48.3
101.02456	2.6
101.60683	2.3
101.67509	3.1
107.29649	2.6
108.04565	57.2
109.02912	3.0
111.85490	2.4
114.00233	6.9
116.01775	17.3
120.99671	3.3
122.03760	12.6
122.06112	4.2
123.04050	6.5
124.04157	4.9
125.02450	17.1
128.03561	20.6
142.03339	2.8
143.04561	5.2
153.01970	2.7
165.03098	3.1
165.06708	22.2
179.04626	45.1
180.04875	4.1
189.63849	2.8
198.04567	3.4
209.05690	13.6
211.01906	4.0
215.27335	2.4
216.05623	25.2
223.03635	23.5
225.03430	23.2
243.04417	8.7
256.04584	3.0
269.02390	100.0
270.02698	5.6
287.03482	37.1
287.08853	5.2
288.04092	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	Aristogin E
Peak:m/z	Relative Intensity
51.77182	0.3
56.06012	0.2
59.01377	0.6
63.44046	0.2
65.03969	7.8
66.04298	0.3
68.23165	0.2
75.47504	0.3
75.74413	0.2
77.17707	0.2
83.05032	0.4
91.01910	1.4
93.03469	0.4
99.00893	0.4
107.05042	12.3
108.02188	2.6
109.02972	8.6
109.05872	0.3
110.03316	0.4
113.02464	0.3
121.02977	4.1
122.03758	4.3
123.04533	1.2
125.02486	0.5
133.02943	0.6
135.00900	2.5
135.04564	0.6
136.01680	0.4
148.30663	0.3
149.02405	0.5
150.03236	5.0
151.04021	100.0
152.04373	3.4
153.01949	1.0
163.04033	1.2
207.17548	0.7
225.18695	1.3
226.97672	0.3
241.18118	0.8
243.17532	0.3
251.16341	0.4
269.17532	0.8
272.10574	1.2
287.09296	19.7
287.12659	1.1
287.16174	0.5
287.18851	4.9
287.22314	0.9
288.06793	0.3
288.09540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03454	15.4
59.01381	6.8
63.02417	5.4
65.00331	8.7
65.03963	1.1
67.01890	2.1
71.57655	1.5
81.03468	5.1
83.01393	10.4
93.03453	3.8
94.79610	1.0
95.01401	1.6
97.02969	1.3
107.01392	6.6
108.02191	2.2
109.02963	12.8
111.00874	2.2
116.92883	1.8
117.03499	1.2
119.05006	0.9
121.02982	1.4
123.04499	3.3
124.01657	3.4
124.07694	2.0
125.02457	100.0
126.02763	1.7
130.04262	1.7
131.05051	2.6
133.02968	6.0
135.04518	3.3
137.02464	1.9
145.02950	1.5
145.06581	1.5
147.04387	1.3
151.00360	11.7
152.01166	8.9
153.01933	3.4
155.05124	1.0
156.05850	1.6
157.06592	3.8
158.03767	1.6
159.04469	2.7
161.02475	1.4
165.01942	2.0
169.06575	1.6
172.05286	1.7
173.06084	8.3
175.03978	1.6
176.01125	2.5
177.05569	14.1
178.99869	7.5
181.06636	1.5
195.04584	1.1
197.06094	3.2
199.03976	1.4
199.07646	3.0
201.05595	14.1
202.05928	1.2
203.03677	1.1
213.05589	2.8
214.06172	0.9
215.07164	7.2
219.06682	2.7
223.13557	1.1
225.05460	1.6
225.15019	1.7
227.03464	1.1
227.12939	2.1
241.05096	2.7
243.06628	53.0
243.16045	1.1
244.06859	2.7
259.06113	77.0
260.06412	3.3
269.04645	8.8
269.13910	1.3
287.05640	66.4
287.14935	9.5
287.18658	6.1
288.05927	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	287.0563
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
54.42055	0.2
56.85537	0.3
59.01372	0.5
59.76125	0.3
63.02401	2.6
65.00329	12.3
69.30500	1.2
69.30919	1.1
74.62784	0.3
81.03438	0.4
81.24903	0.3
83.01393	5.4
90.44160	0.3
98.19848	0.6
107.01398	16.3
107.05042	0.3
108.01752	0.4
108.99294	0.4
109.02975	2.2
125.02446	3.9
133.02991	0.4
134.03766	1.7
135.04536	100.0
136.04868	3.3
151.00378	87.9
152.00705	2.6
161.02299	0.6
165.02037	0.5
169.01456	1.1
177.01949	0.5
195.07344	0.3
225.15015	0.6
243.74838	0.3
269.04535	0.6
287.05637	12.5
287.14868	1.7
287.18622	0.8
287.21899	0.4
288.05991	0.5
308.79047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2438
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.60335	0.3
59.01373	0.7
72.15570	0.3
89.66140	0.3
95.69789	0.3
98.20668	0.7
148.96617	0.3
223.20688	0.5
239.23825	4.1
267.23367	1.4
283.22662	0.5
285.04111	0.8
285.24359	100.0
286.21741	0.2
286.24677	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	285.2439
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01391	1.3
63.26940	0.9
67.38081	0.7
71.55941	1.1
78.95930	1.0
80.51884	0.8
81.47148	0.7
99.32021	0.8
103.62076	0.9
108.75820	0.7
133.02956	1.3
211.27992	0.8
220.48705	0.9
223.20602	2.8
235.20665	1.4
237.22379	4.2
239.23822	58.0
240.24121	3.5
245.34460	0.7
267.19788	0.9
267.23465	0.9
285.04120	6.0
285.21005	5.7
285.24362	100.0
285.26941	4.3
286.24741	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.00604	0.5
55.54788	0.5
59.01382	1.3
59.50045	0.6
61.98828	0.7
65.14681	0.5
69.25292	3.7
70.02960	0.8
71.01391	0.6
74.06114	1.7
118.05116	1.2
127.48743	0.5
134.14314	0.5
145.08694	0.5
240.23358	3.5
241.32457	0.6
242.21272	1.7
256.22971	0.6
268.22794	1.2
286.04285	0.6
286.21307	3.9
286.23895	100.0
287.16266	0.7
287.24713	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	285.2074
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
51.70308	1.2
57.03453	10.2
59.01381	6.6
69.03437	1.2
69.35773	7.6
72.70152	1.0
73.86538	1.3
75.92947	1.1
78.95904	2.2
83.05032	1.6
85.06599	10.1
97.06590	16.3
98.19825	2.3
99.08170	1.5
99.88831	1.4
113.09686	1.7
123.08176	8.0
125.09734	100.0
126.10117	1.6
133.02924	1.4
141.09212	3.0
143.10791	49.7
144.11151	1.4
159.10284	12.0
169.08728	2.8
187.09727	2.8
197.19078	6.6
211.20613	2.2
223.20657	7.3
225.22221	13.1
239.20105	1.3
242.91284	1.3
243.19740	1.4
257.21249	35.1
258.21558	2.9
267.19611	4.5
267.23352	2.3
285.04196	10.1
285.06967	1.8
285.20752	46.4
285.24335	80.0
285.27118	6.9
286.21191	2.6
286.24692	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.9
59.01381	2.1
69.03452	1.2
71.05032	0.8
78.81055	0.5
80.02680	0.5
83.05054	1.7
94.42255	0.5
95.05035	7.4
97.06602	36.6
98.06964	0.7
111.08154	4.2
113.09706	1.0
113.27843	0.5
123.08165	4.9
125.09735	69.9
126.10064	2.5
169.08725	2.1
169.12369	1.2
179.58470	0.5
187.09840	0.9
205.15952	0.6
221.35741	0.5
223.17029	10.0
241.18089	2.5
249.14923	1.0
267.16046	18.1
268.16287	1.3
285.04025	1.9
285.17099	100.0
286.17468	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	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03445	0.7
58.00598	1.1
59.01381	3.0
67.76563	0.4
69.32543	2.9
78.95921	1.3
80.35426	0.4
87.01057	0.4
96.95998	0.6
107.01403	0.5
126.97311	0.5
152.91792	1.5
172.85716	0.4
209.19164	1.9
211.20700	3.6
223.20648	1.4
237.18625	0.8
239.20201	5.8
240.20370	0.4
241.18025	0.5
241.21806	1.2
255.19653	4.2
262.18253	0.5
267.19708	3.7
283.19177	1.5
285.04004	3.8
285.20718	100.0
285.27005	2.9
286.21008	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
71.05038	0.4
75.13712	0.4
75.71169	0.4
84.20547	0.4
98.20695	0.6
147.45808	0.4
206.72411	0.4
223.20686	58.7
224.21028	3.0
241.21700	1.3
267.19666	34.7
268.19940	2.2
285.20724	100.0
286.21066	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.90194	3.4
98.20681	7.4
98.76085	3.2
99.12946	3.4
139.75597	4.0
172.26233	3.5
197.03809	3.9
202.94952	3.1
229.49290	5.3
285.03943	7.2
285.13434	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52118	0.8
55.02206	0.7
57.03447	1.9
59.01382	7.5
59.45458	0.7
69.07999	0.8
69.63824	3.7
75.82990	0.7
78.95917	2.9
81.03486	1.2
83.05037	3.3
106.14562	0.8
130.75815	0.7
138.26587	0.9
163.99298	0.8
181.16055	2.4
183.17554	0.9
197.19122	1.2
211.17030	1.7
223.17046	3.0
227.16574	1.4
239.20135	2.7
241.18111	100.0
242.18480	5.5
257.17627	3.1
267.19662	3.7
285.04382	3.8
285.06821	1.0
285.17181	11.9
285.20734	61.2
285.26938	3.8
286.17737	1.1
286.21030	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89913	0.6
55.94020	0.6
57.03450	1.5
59.01393	1.0
63.65505	0.6
71.05025	1.6
73.02954	0.7
78.95912	2.8
81.03459	1.6
83.05042	3.4
87.00879	2.0
87.11435	0.7
97.06591	1.1
98.20691	2.6
99.00900	2.1
100.42751	0.8
110.03717	1.0
111.08126	1.1
117.38830	0.7
125.09753	1.3
127.11281	1.1
139.11299	0.7
142.02701	0.8
155.14420	1.3
167.14421	5.0
195.17557	0.8
205.15945	2.5
211.17209	0.8
221.15443	0.8
223.17061	14.7
239.16542	2.7
239.20177	1.9
241.18121	13.5
242.18317	0.8
249.14980	37.7
249.36143	0.7
250.15346	1.7
267.16028	40.2
267.19086	1.4
268.16290	2.1
282.62415	0.7
285.04156	3.3
285.17090	100.0
285.20694	67.2
285.27225	2.3
286.17438	6.4
286.21082	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	283.2281
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
52.77143	0.4
54.52889	0.4
56.11829	0.3
59.01387	1.1
158.14995	0.5
172.96449	0.4
189.64520	0.4
201.02602	0.6
229.03027	0.5
237.22330	0.5
239.23842	1.3
265.21793	1.5
283.22806	100.0
283.26376	19.3
284.23157	5.9
284.26718	1.2
295.03470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Norartocarpetin
Peak:m/z	Relative Intensity
57.03442	1.3
59.01382	1.0
60.96734	0.6
63.02398	4.4
65.00327	11.4
68.99828	0.8
69.03455	0.8
83.01402	5.7
83.05023	0.7
93.03543	0.8
95.01402	3.5
103.62656	0.6
107.01400	5.3
107.05044	4.6
108.02206	3.4
108.99287	0.7
109.03008	1.2
111.00883	1.4
114.67356	0.6
117.03436	0.9
119.05041	5.2
121.02985	2.4
123.00894	0.9
123.04561	1.4
125.02467	6.5
130.04247	0.8
131.05052	2.1
133.02968	8.0
135.04544	9.9
136.01669	1.9
141.07152	0.9
143.05034	5.2
145.02962	5.1
145.06549	1.3
146.03773	4.3
147.04535	13.3
148.04938	0.8
149.02483	1.2
151.00377	7.7
155.05040	9.2
156.05286	0.7
157.03001	1.0
157.06577	1.0
159.00891	1.1
159.04529	2.8
161.02446	2.2
161.06090	5.0
164.01152	1.5
167.05020	2.0
167.07855	0.7
169.01437	0.6
169.06602	2.3
171.04558	7.0
173.02434	2.0
173.06126	0.8
174.03244	3.1
175.04010	13.5
185.06075	6.3
187.04041	5.3
188.04768	0.8
189.05571	9.5
195.04567	2.3
196.00172	2.5
197.06105	2.8
198.03259	4.2
199.04031	37.0
200.04468	1.9
201.01930	2.5
211.04031	2.9
212.04767	0.8
213.05609	7.3
215.03543	4.7
217.05101	6.9
229.05069	2.7
239.03477	2.3
241.05115	4.4
243.03046	1.7
257.04593	26.3
258.05045	1.8
284.26819	3.9
285.04074	100.0
285.17068	4.4
285.20071	1.1
285.27164	1.9
286.04379	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	283.228
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
57.03430	0.4
59.01381	5.2
60.06527	0.3
69.30888	0.6
69.31293	2.1
71.01393	0.4
77.89766	0.3
85.87080	0.3
101.21191	0.3
109.06586	0.8
113.06094	0.5
117.98921	0.3
119.05014	1.2
127.07664	25.5
127.11257	0.4
128.07962	0.6
139.11275	1.0
141.09227	1.2
143.10544	0.3
155.10767	0.9
173.11844	13.0
174.12070	0.5
183.10249	0.5
185.15475	0.7
200.94510	0.4
201.02585	1.8
201.11418	0.3
211.20647	0.6
221.19086	0.5
223.08194	0.3
237.18491	0.7
239.20163	5.8
240.20464	0.3
241.18100	1.3
255.19656	7.7
256.19983	0.4
265.18262	0.4
265.21744	1.1
268.03857	0.8
281.21307	0.4
283.06119	1.1
283.19345	7.1
283.22772	100.0
283.26373	67.9
284.19952	0.5
284.23120	7.1
284.26730	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	283.2281
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
55.16590	0.1
57.03448	1.0
58.29944	0.1
59.01386	1.0
69.03453	0.2
70.27902	0.4
70.30047	0.1
83.23844	0.1
98.19959	0.1
103.58949	0.1
107.36010	0.2
119.04985	0.2
156.61993	0.2
201.02608	0.7
222.40088	0.1
223.20697	1.3
239.20158	0.2
239.23866	1.0
268.03696	0.2
283.22845	100.0
283.26379	16.6
284.23160	7.0
284.26685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1917
Annotation	Gallicynoic acid H
Peak:m/z	Relative Intensity
54.85409	0.4
59.01384	6.5
66.64577	0.4
66.98172	0.4
70.48028	0.4
71.01396	0.5
74.82314	0.4
82.65824	0.5
98.20655	1.1
101.02448	0.5
119.05045	2.1
131.96625	0.5
152.91742	0.6
183.01263	2.9
200.94469	0.9
201.02597	3.9
221.19106	18.8
222.19418	0.9
237.18626	0.5
239.20169	57.7
240.20515	3.3
260.86542	0.4
265.18127	2.3
265.20554	0.4
265.21884	0.4
268.03625	1.0
275.63391	0.4
283.06116	1.9
283.14273	4.1
283.19363	32.5
283.22833	11.7
283.26385	100.0
284.14063	0.5
284.19806	2.1
284.23270	0.8
284.26736	5.8
292.21155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55244	0.6
57.05568	0.6
59.01385	29.7
69.61552	3.7
71.05006	0.6
85.02933	1.0
91.71317	0.6
96.96020	100.0
98.28163	0.6
119.05038	1.1
157.12309	2.4
203.12831	4.4
204.15369	0.7
239.12897	1.0
253.99741	0.7
283.02383	0.9
283.06265	1.0
283.08591	22.2
283.11469	2.4
283.15442	1.7
283.26428	69.9
284.09021	0.7
284.26804	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	283.1554
Annotation	Hysterone D
Peak:m/z	Relative Intensity
55.83042	0.4
57.03448	1.0
59.01383	7.5
59.80338	0.5
67.67632	0.4
69.03428	0.5
71.01396	0.6
71.05032	0.8
77.79797	0.4
80.96194	0.5
119.05055	1.9
137.64809	0.4
165.12910	0.5
167.14444	0.8
179.14378	0.6
195.17566	1.5
201.02516	1.4
207.01738	0.5
209.15459	0.6
221.15488	2.6
239.16536	77.8
240.16876	3.7
258.35248	0.6
265.14456	4.1
265.18063	2.2
268.03790	1.0
283.06128	1.7
283.15521	53.1
283.19128	14.2
283.26428	100.0
284.15863	3.2
284.19247	1.1
284.26813	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	283.1917
Annotation	Asperic acid
Peak:m/z	Relative Intensity
50.14887	0.5
52.35063	0.4
54.06324	0.4
57.03448	1.9
59.01372	1.4
78.62930	0.6
79.87701	0.5
85.72464	0.4
98.20643	1.5
113.09774	0.7
119.05001	0.6
123.37465	0.5
204.88541	0.5
221.19106	31.5
222.19421	1.5
237.18687	1.1
239.20175	20.5
240.20404	1.7
247.16933	0.7
265.18063	17.2
266.18451	0.8
283.19162	100.0
283.26324	21.4
284.19510	7.3
284.26767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1918
Annotation	Gallicynoic acid H
Peak:m/z	Relative Intensity
51.10053	0.5
57.03423	0.7
59.01379	2.2
59.97750	0.6
69.89632	2.5
75.19642	0.6
90.36612	0.6
108.67445	0.6
117.13176	0.7
128.08855	0.6
201.02582	0.7
221.19116	30.0
221.33540	0.7
222.19463	2.3
237.18625	0.9
239.20180	100.0
240.20547	6.6
242.69435	0.6
265.18155	2.7
283.14084	1.2
283.19168	46.7
283.22787	8.9
283.26450	33.0
284.19424	3.1
284.26727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0859
Annotation	Psilocybin
Peak:m/z	Relative Intensity
54.87756	0.2
59.01385	2.1
62.39244	0.2
71.01376	0.3
72.94154	0.2
79.95759	0.6
89.02444	0.3
96.96022	100.0
102.98605	0.4
103.51186	0.2
127.11301	0.6
137.09772	0.3
157.12361	2.3
185.23567	0.2
195.02867	0.3
203.12897	5.4
221.15454	0.3
263.99799	0.2
265.44653	0.2
268.03717	0.3
283.08591	20.5
283.11166	0.8
283.15048	1.1
283.26440	14.2
284.08829	0.9
284.26904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03446	0.7
59.01358	2.1
69.32867	1.0
69.33277	3.8
71.05022	0.8
90.16934	0.6
92.85111	0.5
98.19780	0.5
99.00869	1.8
110.03746	3.9
123.04490	1.4
142.02745	4.6
181.15987	3.4
219.17564	4.9
237.18607	33.5
237.22394	1.3
238.18968	1.7
242.10576	0.5
253.18054	3.1
263.16528	74.6
264.16843	3.7
281.17596	100.0
281.24603	2.0
282.17987	6.3
286.25745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2125
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03456	0.5
59.01381	2.1
59.78152	0.5
70.04454	0.9
70.04840	1.1
86.32062	0.5
98.20657	0.5
199.17003	1.2
201.90659	0.4
235.20662	1.3
237.22179	2.7
245.19092	0.7
253.05130	0.6
253.21762	7.0
263.20190	4.8
281.21240	100.0
282.21567	6.0
282.24545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67501	1.3
55.01883	6.4
57.03445	5.3
58.00596	3.4
58.75912	1.4
58.90413	1.3
59.01385	100.0
65.00508	1.3
69.91243	6.8
71.01385	99.1
72.99322	5.3
73.02954	22.2
78.95909	8.2
83.01395	11.4
85.02962	34.2
87.00894	4.6
87.04522	4.1
89.02454	60.2
95.01374	5.5
96.19408	1.4
97.02978	2.3
99.00883	8.9
101.02450	90.9
112.77030	1.4
113.02462	39.3
119.03511	22.4
119.07140	11.6
129.01865	1.8
131.03557	1.8
133.01511	1.9
143.03505	6.4
150.04214	3.2
153.20786	1.6
159.02979	6.0
161.04564	41.2
176.98071	1.4
178.96014	3.8
179.05632	4.9
220.97102	6.6
225.38945	1.4
281.08945	3.4
281.12415	43.7
282.12784	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	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
51.21029	0.8
59.01385	3.9
61.50273	0.7
61.98852	0.8
65.52528	0.7
70.28084	1.2
70.28478	1.8
71.01382	9.9
71.05020	0.8
76.56501	0.8
98.20617	1.1
137.09755	1.2
149.09700	4.6
159.08162	1.3
161.09770	0.9
213.03899	0.8
217.15999	3.6
219.17542	40.5
220.17911	2.0
237.18602	93.5
238.18904	5.4
263.16553	1.7
281.17603	100.0
281.20947	5.6
281.24588	2.6
282.18018	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1969
Annotation	Juvenile hormone I acid
Peak:m/z	Relative Intensity
54.84912	0.7
55.01872	2.2
57.03448	1.4
58.42648	0.7
59.01384	1.2
63.01842	0.6
69.03474	5.4
70.04994	2.8
71.05029	9.7
80.41130	0.7
81.03445	1.0
83.05014	1.3
83.32755	0.6
96.96060	1.0
97.06601	1.6
99.78463	0.8
118.54739	0.8
119.05029	1.5
120.65399	0.7
213.89282	0.7
223.07866	0.7
233.19136	2.3
235.20691	100.0
236.21039	5.3
244.80283	0.8
261.18597	1.1
279.16782	1.3
279.19696	23.8
279.23267	8.0
280.20114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1968
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01379	2.8
70.00915	1.9
70.01305	1.2
70.22575	0.6
71.01375	1.8
71.05022	2.1
73.02943	0.9
79.95757	1.0
114.01711	0.5
139.07652	0.7
146.96069	0.7
151.24582	0.6
205.12263	0.8
207.13884	0.7
217.16075	1.3
219.03009	0.6
227.53580	0.7
235.16989	6.9
279.16238	6.7
279.19672	100.0
280.16272	1.1
280.20010	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	279.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41944	0.3
59.01363	0.5
60.21503	0.3
69.03439	0.4
71.01384	0.3
76.16363	0.3
98.19913	0.5
100.08073	0.3
101.02425	0.3
119.05042	0.4
126.53685	0.3
134.64561	0.2
139.07654	0.4
155.10817	0.7
183.13913	1.9
189.08748	0.3
195.10060	0.4
197.11702	0.6
198.44629	0.3
207.13847	0.4
209.15482	0.9
211.17038	23.9
212.17363	1.1
217.08473	0.3
217.12123	0.3
217.15829	0.3
219.10088	0.4
223.13129	0.8
229.12123	2.1
231.13631	4.1
235.17064	2.0
245.11575	1.1
247.13206	0.5
249.14806	0.4
251.16270	5.1
261.11163	2.3
261.14774	1.1
263.12656	5.5
264.13062	0.4
265.14212	2.2
266.14737	0.3
267.12061	0.5
279.15787	100.0
280.06049	0.3
280.16129	5.6
293.13754	0.8
295.15295	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90682	0.4
59.01375	1.2
71.01382	0.9
83.05004	0.3
91.90968	0.4
93.79409	0.4
95.75017	0.3
99.55148	0.4
119.05057	1.0
137.09729	2.3
139.07619	0.6
163.07607	0.5
177.09334	0.4
179.10803	3.6
190.94281	0.5
200.01176	0.7
205.12386	0.6
207.13910	100.0
208.14264	3.9
217.15964	0.4
235.17039	4.2
279.16037	79.5
280.16302	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	279.1452
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03802	1.5
55.01891	9.4
57.03439	6.4
59.01385	62.9
59.65068	1.5
71.01388	100.0
71.55270	3.0
72.99300	6.1
73.02957	35.3
73.90321	1.6
75.00871	4.8
76.65565	1.9
78.95941	2.5
80.72295	1.6
83.01395	20.6
85.02957	47.9
86.00109	2.5
87.00871	5.3
89.02454	18.8
89.99962	1.7
95.01382	5.8
95.12523	1.8
97.02962	4.7
99.00882	16.8
101.02452	87.6
102.02794	2.7
111.00889	6.8
113.01731	2.9
113.02467	37.9
114.02805	2.1
117.05592	2.2
117.09187	4.1
119.03482	5.9
119.05025	4.1
125.02405	2.8
129.01944	2.0
136.95831	1.7
139.07576	2.0
143.03459	3.3
159.02979	9.9
161.04561	35.8
205.03545	1.9
260.72131	2.0
279.11658	1.8
279.14606	29.7
279.23199	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	279.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92273	0.7
54.43840	0.6
55.01866	0.8
57.03439	0.6
57.31063	0.6
58.00593	2.1
59.01384	46.8
59.43116	0.6
62.26059	0.6
69.75235	3.0
69.75636	1.5
69.84526	0.6
71.01383	21.7
71.05019	5.5
72.99311	1.4
75.00882	0.6
85.02959	5.3
87.00892	0.7
89.02450	25.2
89.74029	0.5
95.01391	1.3
96.19913	0.7
99.03918	1.2
99.04535	21.2
99.05185	1.1
100.04842	0.8
101.02451	15.8
101.06133	0.8
113.02457	9.1
117.05589	34.2
118.54619	0.6
119.03510	10.6
127.67944	0.8
131.03508	0.9
139.56621	0.6
143.03517	1.3
143.67776	0.7
159.06639	1.5
161.04590	1.1
179.05632	2.2
183.02814	0.7
198.89706	0.7
279.10867	100.0
280.11160	4.6
298.32736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03453	13.5
58.45366	0.6
59.01377	1.4
69.03455	1.2
69.66523	4.1
71.01380	1.3
81.03510	1.1
83.05042	3.2
85.02958	0.8
87.00869	0.7
93.03430	1.1
94.04247	0.8
94.06078	0.7
95.05032	3.3
97.02951	8.1
97.06615	2.6
99.04538	1.2
103.63423	0.7
107.05019	1.6
108.02229	0.8
109.02958	5.8
109.06605	6.0
109.94511	0.7
111.04553	5.4
116.91341	0.6
119.05034	0.8
119.08665	3.1
121.06594	6.8
122.03750	18.6
123.04549	3.1
124.05313	20.7
125.06098	5.3
135.04523	1.8
135.08160	1.1
136.05339	1.2
137.06094	12.7
137.09656	1.2
139.07661	100.0
140.08041	3.1
145.10323	1.0
147.04587	1.2
147.08185	4.3
148.05270	0.8
151.07825	0.8
163.07617	2.1
163.11290	1.8
165.09343	0.9
168.07936	25.8
169.08772	3.2
171.08174	2.7
174.16341	0.7
175.04005	0.7
175.11284	1.7
177.12856	1.9
180.08047	1.5
185.09735	1.5
187.11307	21.8
189.09224	1.6
190.10007	5.6
193.42010	0.6
205.12347	39.5
206.12672	1.8
206.54713	0.6
217.12328	2.6
219.02968	4.4
231.10262	1.0
231.69095	0.8
234.05322	3.0
235.05748	0.7
235.13391	4.2
249.07744	1.8
249.11343	2.8
279.09207	1.1
279.12354	10.8
279.23248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.35323	0.2
55.02122	0.2
59.01385	7.6
69.80985	1.2
71.01377	0.9
74.10067	0.2
75.85638	0.3
78.95911	0.6
79.95736	0.5
83.05035	0.4
96.96017	0.3
121.02976	1.3
127.07658	0.5
152.91772	1.5
158.41560	0.3
172.50797	0.2
194.92776	2.2
194.95467	0.4
205.16017	1.6
233.19081	1.1
259.20660	0.7
275.20071	0.3
277.18201	14.6
277.21707	100.0
278.18408	1.0
278.22040	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01396	1.7
68.58144	0.7
88.94188	0.7
95.79356	0.7
182.59416	0.7
195.47511	0.8
233.22583	0.8
259.20685	0.8
277.21741	100.0
278.22086	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97523	1.4
69.42111	9.5
72.00407	2.9
72.97533	4.9
87.00890	24.8
89.97828	1.6
90.98605	100.0
96.89046	1.3
117.00184	2.3
129.07455	83.4
130.07791	1.7
135.01215	5.8
139.07646	1.4
145.06952	3.2
146.43602	1.5
147.08516	81.9
148.08827	3.7
160.99120	2.8
163.35143	1.2
163.99493	1.2
173.06444	18.7
179.00212	28.4
191.07497	20.8
204.29193	1.4
217.09058	28.2
235.10043	12.3
261.08005	10.1
279.06308	1.9
279.09109	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	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.74431	0.9
55.01855	1.3
57.03455	1.3
58.00591	3.5
59.01384	100.0
60.01724	1.9
69.95943	4.3
71.01388	50.5
71.05029	2.4
72.99303	3.6
73.02939	1.7
74.02676	0.9
83.01395	3.2
85.02961	9.1
87.00874	1.9
89.02451	65.2
95.01384	4.0
99.04540	10.7
101.02456	36.4
113.02460	20.1
117.05605	9.9
119.03508	27.1
131.03479	2.0
143.03482	1.7
149.04570	2.2
161.04611	1.9
179.05614	3.4
189.44910	0.9
256.57608	0.9
279.10858	99.0
280.11276	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	275.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24280	0.4
54.46011	0.4
59.01376	0.9
61.02360	0.3
71.01385	0.5
78.95913	1.0
81.03478	0.5
83.05017	0.5
85.02950	0.4
93.03455	1.6
98.19939	0.8
101.06088	100.0
102.06454	2.0
111.04514	1.3
116.92858	0.9
155.03510	1.6
173.04587	2.5
223.47171	0.4
244.72972	0.3
275.11380	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	276.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
70.24190	1.6
71.81696	0.4
73.31657	0.4
78.95909	45.6
92.96008	0.8
96.96013	11.4
96.96967	12.7
103.85974	0.4
121.02894	0.4
121.57893	0.4
134.96095	4.8
134.97047	28.7
135.97188	1.1
136.94019	100.0
137.94102	4.2
138.94507	0.5
151.92764	0.9
154.95094	0.6
158.92569	0.9
174.51755	0.4
176.98103	8.7
178.95058	23.0
179.01103	2.7
179.95134	0.9
192.96194	0.5
198.89467	0.6
198.90637	0.5
216.89804	66.5
217.89853	3.1
234.90646	17.0
234.97104	0.4
235.90970	0.4
258.87506	0.4
258.91672	4.1
276.88892	1.7
276.92053	1.4
276.98709	43.3
277.98376	2.0
278.94800	0.4
279.32397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.8
62.45411	0.7
62.81018	0.6
69.66396	4.0
76.81628	0.6
78.95914	45.5
85.52242	0.6
86.30770	0.8
87.89033	0.6
88.47143	0.7
88.50380	0.7
96.96973	100.0
128.03551	1.5
148.04018	1.0
167.25874	0.7
182.10611	0.7
186.57716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42152	0.4
67.37176	0.5
69.69175	2.0
75.35580	0.5
78.95911	42.4
88.58428	0.4
96.96970	100.0
101.21973	0.6
107.98371	0.4
131.30923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
55.73092	0.7
59.01384	6.2
65.03964	1.2
66.48559	0.6
87.69314	0.6
98.19839	1.5
101.02449	0.6
107.05048	1.5
115.01217	0.6
121.02957	1.5
125.80867	0.7
135.04552	7.2
152.91870	0.7
163.11256	4.2
175.11349	0.8
180.59833	0.6
189.12881	1.1
194.92744	0.8
205.12402	1.1
215.14404	4.5
231.13918	27.6
232.14262	1.6
233.15468	17.9
277.14462	100.0
277.21674	3.2
278.14874	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38310	0.4
59.24972	0.4
62.47451	0.4
84.34305	0.4
91.91045	0.4
181.15990	0.6
183.17583	0.9
193.16022	5.5
209.15469	1.4
211.17059	24.0
212.17381	1.2
227.16551	37.2
228.16920	1.6
229.11290	0.5
237.14923	0.8
255.16075	4.0
259.40115	0.4
273.17099	100.0
274.17456	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27864	0.4
54.68822	0.5
54.89811	0.4
55.91639	0.4
57.03453	3.5
57.47773	0.4
59.01386	1.8
71.01397	0.8
71.05025	1.0
81.03487	1.2
82.94743	0.4
83.05038	5.6
85.06592	2.9
95.05053	0.5
97.06577	1.0
99.08157	1.7
99.08778	0.4
101.06094	1.8
111.08163	1.8
115.03550	0.5
121.02939	0.5
125.09711	2.2
127.11222	0.6
145.05101	2.0
145.08705	1.3
158.40988	0.4
172.54707	0.6
173.08195	1.4
193.15988	24.9
194.16280	0.8
195.13885	0.5
201.14909	1.1
211.13379	0.5
211.17043	1.6
216.04248	0.5
227.16479	0.5
229.18164	2.5
237.14963	28.3
238.15256	1.3
246.26852	0.5
255.16031	26.6
256.16360	0.8
273.07599	2.1
273.17078	100.0
274.14401	0.8
274.17365	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	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44858	0.6
59.01384	34.3
60.84465	0.7
63.84198	0.6
134.49344	0.8
170.52266	0.7
176.01134	0.7
193.15984	7.7
195.13910	1.6
211.17050	36.4
212.17430	1.6
213.14977	100.0
214.15289	4.2
237.15021	0.8
255.16037	12.2
273.17120	80.7
273.20493	5.2
274.17523	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2073
Annotation	CHEBI:79282
Peak:m/z	Relative Intensity
51.80998	0.3
58.00592	0.4
59.01390	1.5
71.54278	0.6
77.01405	0.3
102.89033	0.3
123.72211	0.3
131.07091	0.4
168.63136	0.3
195.82822	0.3
197.19122	3.0
209.19171	0.5
225.18770	0.8
227.20256	1.5
237.18684	0.9
253.18132	0.6
255.19666	9.9
256.20001	0.5
271.19186	4.0
272.19687	0.4
273.20740	100.0
274.21036	5.1
293.64420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63375	0.4
57.03430	0.7
59.01387	2.1
67.01564	0.6
67.01895	5.9
69.03448	0.9
70.52271	0.4
71.01388	3.4
72.07378	0.4
81.03464	0.9
83.01376	0.4
83.05024	1.1
85.02963	0.6
87.00866	0.4
89.02437	0.4
93.03468	27.8
94.03780	0.6
97.51196	0.4
101.06091	38.9
102.06410	0.5
109.02938	0.8
111.00858	1.5
111.04527	5.2
116.01792	0.5
125.02449	1.3
137.02448	6.4
155.03490	4.9
173.04558	100.0
174.04895	3.3
239.02559	0.4
275.08310	0.6
275.11395	12.7
276.08807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1918
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03457	0.6
70.91648	0.2
72.65005	0.2
98.19872	0.5
120.86860	0.2
127.50554	0.2
143.66425	0.3
159.58841	0.2
177.36426	0.2
181.16008	0.3
207.17596	0.5
209.19125	60.0
210.19452	2.6
227.20219	1.8
252.69345	0.2
253.18112	46.9
254.18401	2.3
255.48141	0.2
271.19171	100.0
272.19510	5.5
272.22723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1917
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
58.00602	1.1
58.18116	0.6
59.01381	3.6
68.99586	1.5
71.08316	1.3
96.95564	0.5
108.02183	2.0
112.98595	1.5
125.02496	1.1
151.93692	0.6
176.98833	1.8
195.17542	1.8
197.19116	4.3
207.17302	0.8
209.15494	0.8
209.19130	1.2
225.18581	6.6
241.18124	4.2
243.02884	0.6
253.18176	4.2
269.17532	1.4
271.19168	100.0
272.19415	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	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
62.99820	0.2
66.97594	0.2
68.59932	0.2
73.21094	0.1
76.04021	0.2
98.19936	0.4
119.05089	0.2
141.85344	0.2
161.41731	0.2
164.76854	0.2
209.19101	0.4
223.20654	0.4
225.22258	4.7
253.21718	1.9
269.18542	0.2
269.21170	0.8
271.22794	100.0
272.23172	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03439	0.9
66.56326	0.2
69.03458	0.4
70.05960	0.6
70.06357	0.4
76.71304	0.2
81.98669	0.2
83.05000	0.3
108.02188	0.5
195.17531	0.8
209.19092	1.7
209.79500	0.3
211.20700	2.2
227.20174	0.3
231.56673	0.3
245.46001	0.3
253.18112	1.1
253.21648	1.4
255.19810	0.3
271.19525	4.1
271.22784	100.0
272.23145	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	273.0771
Annotation	fusarubinaldehyde
Peak:m/z	Relative Intensity
51.84084	0.5
55.01885	0.7
59.01414	0.5
69.27853	4.3
81.03450	0.8
89.03969	1.8
98.19928	0.9
99.00892	11.9
117.01950	1.0
118.04256	3.0
119.05019	1.0
120.07034	0.5
123.04553	0.8
130.04276	1.1
132.02211	0.7
134.03732	0.9
145.02841	0.9
146.03719	0.6
148.01695	3.1
160.01660	0.9
161.02461	9.6
162.03197	2.5
167.03442	1.9
173.02475	2.6
173.11842	14.7
174.03261	4.9
176.01170	10.9
187.04134	1.1
188.04770	0.9
189.01982	4.4
190.02739	16.2
191.03256	1.1
198.03197	0.8
201.01952	27.0
202.02725	11.4
205.01411	1.0
211.03999	1.2
215.03517	23.8
216.00774	4.3
216.04257	16.2
217.04951	0.7
218.02196	0.7
222.01729	1.7
229.05092	2.1
243.06718	0.6
245.08194	100.0
246.08562	6.0
273.07703	87.6
273.13562	2.7
273.17020	1.3
273.20450	0.8
274.07962	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14099	0.4
57.44632	0.4
59.01385	0.6
63.02405	11.5
65.00328	18.8
70.15462	0.4
71.46226	0.4
83.01393	12.6
93.03467	16.9
94.03807	0.4
107.01401	31.0
108.02219	0.8
109.02984	0.6
110.18092	0.5
117.03444	0.6
119.05038	84.8
120.05356	1.9
121.02967	1.0
125.02454	1.5
125.43082	0.4
133.02937	0.6
137.02461	0.5
143.05032	0.6
145.02968	1.9
149.02469	0.4
151.00381	77.2
152.00723	1.7
161.06111	1.4
165.01949	3.2
169.01416	1.8
177.01942	11.6
185.06107	1.3
187.04013	2.6
209.15424	0.9
211.13400	1.3
227.07103	1.0
253.04964	0.5
253.14363	0.7
271.06134	100.0
271.15549	2.3
272.06558	5.8
272.09381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
68.99819	0.2
69.03460	0.4
71.01389	8.1
72.99320	0.2
73.02946	2.7
78.09641	0.2
81.03467	0.3
83.01408	0.9
83.55605	0.2
85.02956	4.5
87.00869	0.3
89.02469	0.6
93.03461	0.4
95.01399	1.9
97.02995	0.3
99.00888	1.1
101.02452	4.2
107.05002	0.6
108.02185	100.0
109.03008	10.7
113.02454	3.8
119.05090	0.3
121.02966	1.0
122.03734	0.4
123.00911	1.1
123.04556	1.8
125.02430	0.5
133.02948	1.1
134.03783	0.5
135.04549	0.5
143.03479	0.4
151.04024	3.9
159.03021	0.8
161.04564	4.7
163.03973	1.7
165.43584	0.2
168.83868	0.3
230.51016	0.2
241.04941	0.5
256.07654	0.3
271.08322	0.8
271.22852	0.6
292.11105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79224	0.2
55.01878	0.4
59.01383	0.8
64.39220	0.2
70.14401	1.0
71.01011	0.5
71.01388	7.9
73.02955	2.1
83.01394	0.7
85.02960	3.2
89.02419	0.3
95.01391	1.2
96.96973	0.8
99.00877	0.7
101.02460	4.0
107.05051	0.6
108.02185	100.0
109.03011	10.4
113.02459	3.9
121.02969	0.8
123.00913	0.6
123.04534	1.5
133.03001	0.7
135.04556	0.3
151.04021	3.8
159.03014	0.9
161.04556	4.8
163.04044	1.2
237.97177	0.3
271.08261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.119
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
54.19094	0.5
58.33262	0.5
59.01382	1.0
71.01387	24.9
75.50236	0.5
83.05026	0.8
88.67223	0.5
93.48557	0.5
95.05038	0.4
96.63130	0.4
98.19905	0.8
108.02161	2.7
137.09732	24.6
138.09962	0.6
153.09264	2.9
155.10789	0.6
163.11301	22.9
164.11597	0.8
165.12871	14.5
166.13152	0.8
181.08713	77.7
182.08960	2.4
183.13913	16.4
184.14220	0.8
189.91306	0.5
209.11833	31.1
210.12068	0.9
227.12860	3.7
227.16469	1.2
241.05122	0.7
253.10826	31.5
254.11191	1.4
257.92279	0.5
271.11890	100.0
271.15259	4.3
271.22839	2.1
272.12259	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	271.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33611	0.5
57.03442	0.9
59.01372	2.4
65.48141	0.7
71.01379	0.8
71.05013	1.3
71.94565	0.5
72.62064	0.5
74.88580	0.5
81.03455	0.8
83.05016	2.4
83.05441	0.5
86.99782	0.6
88.09838	0.5
91.59969	0.5
97.06589	0.6
99.00898	3.6
99.08186	0.6
104.85742	0.6
108.02181	2.5
109.02964	0.6
111.08147	1.1
119.04980	0.6
125.09689	0.9
132.69057	0.5
141.12886	0.8
142.02742	1.1
153.12862	3.9
176.98814	0.8
181.15912	0.6
183.17592	0.5
191.14389	1.5
209.15477	15.2
210.15805	0.6
225.14938	1.5
225.18594	1.0
227.16551	14.5
227.20105	0.6
228.16754	0.7
229.04372	0.8
235.13406	39.6
236.13751	1.9
253.14467	48.9
254.14766	2.3
271.15482	100.0
271.19052	31.7
271.22400	2.0
272.15823	4.2
272.19485	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93896	0.4
65.00337	1.0
74.17269	0.4
78.19502	0.5
83.05061	0.7
93.03456	2.0
95.05073	0.9
97.06614	2.5
98.19874	1.4
100.23409	0.4
100.44462	0.5
103.35665	0.4
104.18119	0.5
108.02189	0.6
111.08180	3.6
117.03453	1.3
119.05029	1.3
119.06689	0.5
127.71349	0.5
133.02913	0.7
141.07106	1.5
143.03899	0.9
143.05031	15.9
145.02992	0.6
157.06583	3.1
159.08167	2.8
165.06981	0.6
167.05026	3.9
168.05753	0.5
169.06604	1.5
180.05826	3.8
181.06612	6.4
182.07291	2.1
183.04561	3.7
183.08171	5.3
183.80226	0.5
184.05231	1.2
185.06093	18.3
186.06441	1.1
197.06055	4.3
199.07724	0.4
208.05357	3.7
209.04155	1.0
209.06097	14.1
209.15477	1.3
210.03230	0.7
210.06355	0.7
211.04005	4.7
212.04787	2.9
224.04796	1.6
225.05606	12.5
227.07149	64.3
228.07524	3.1
235.04097	0.7
252.04337	2.2
253.05072	100.0
254.05376	5.1
271.06131	66.5
271.15552	8.0
272.06421	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	269.2488
Annotation	Margaric acid
Peak:m/z	Relative Intensity
67.40065	0.3
69.16891	0.3
69.30514	1.0
69.30934	1.3
76.77061	0.3
89.34570	0.3
98.19851	0.6
136.32809	0.3
141.25784	0.3
156.77000	0.3
184.74353	0.3
189.27818	0.3
239.79195	0.2
242.05409	0.3
245.05716	0.3
253.23755	0.3
269.24863	100.0
270.25171	5.6
279.85886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
50.27142	0.2
57.03447	0.6
58.51783	0.2
58.72878	0.2
60.18551	0.2
63.20807	0.2
69.41808	1.3
72.72007	0.2
73.06017	0.2
98.19930	0.4
99.08112	0.2
122.03909	0.2
144.92439	0.2
186.95648	0.6
209.19099	1.4
225.22241	1.2
269.21231	100.0
270.21603	5.4
272.19357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.87490	0.3
55.79662	0.3
68.74283	0.3
69.52930	1.6
69.53332	0.6
77.81754	0.3
79.36548	0.4
80.30581	0.3
81.72089	0.3
84.90549	0.3
99.80711	0.4
107.94041	0.3
111.95323	0.3
223.20651	0.8
225.22238	1.1
251.20213	1.9
269.21234	100.0
270.21533	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41851	0.3
57.03446	1.7
69.59542	1.0
69.59965	1.5
83.05041	2.9
83.77973	0.3
99.56065	0.4
109.06594	1.0
111.08170	14.7
112.08508	0.5
121.02991	0.5
132.98199	0.7
141.09225	1.7
181.15866	0.4
186.95645	2.2
197.19035	0.4
201.44263	0.4
223.16986	0.6
223.20726	1.4
225.18620	5.2
241.18105	10.5
249.10719	0.4
250.66985	0.4
251.20288	1.9
251.22490	0.4
267.19626	0.9
269.17880	4.0
269.21237	100.0
270.21582	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	269.1761
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
56.98706	0.5
57.03432	0.6
59.76329	0.6
62.93939	0.5
63.95336	0.5
69.98344	2.7
72.78860	0.6
127.51337	0.5
132.98212	0.7
181.16119	0.9
186.95584	3.1
207.17548	28.1
208.17870	1.4
223.17049	0.7
225.18617	100.0
226.18967	4.8
251.16499	2.8
269.04489	0.9
269.17615	52.0
269.21219	26.9
269.24750	2.8
270.17929	3.8
270.21432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2124
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01371	0.4
65.52647	0.3
65.54248	0.3
69.96447	0.9
71.01388	0.3
74.59102	0.4
90.00835	0.4
90.97139	0.7
93.03533	0.3
134.63689	0.3
178.10446	0.4
186.95605	3.5
197.19168	0.6
223.17029	0.5
223.20694	0.8
225.18611	4.0
227.16560	1.6
232.87486	0.4
241.18102	6.9
251.16626	0.9
251.20244	1.8
254.05844	0.6
267.19760	0.8
269.04520	0.6
269.21234	100.0
270.21588	5.5
290.04739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
57.03445	2.3
65.24983	0.5
70.13251	1.9
70.13612	0.6
99.08198	0.6
99.24542	0.5
120.04591	0.7
129.31546	0.5
135.15979	0.4
141.56239	0.5
186.95601	0.8
203.23473	0.5
203.25447	0.5
207.17557	33.6
208.17816	1.0
223.17058	1.1
225.18605	22.7
226.18942	0.7
231.11078	0.6
233.15547	0.6
241.13361	0.7
251.16539	17.2
252.16949	0.8
254.10698	0.5
269.13226	15.8
269.17587	100.0
269.20712	3.1
270.13443	0.6
270.17923	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	269.176
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
53.65013	0.5
57.03445	0.8
59.01358	0.5
61.60172	0.5
64.74796	0.7
68.80399	0.6
70.10894	2.5
70.84681	0.5
73.38827	0.6
86.62948	0.5
97.60410	0.5
109.09418	0.7
109.37817	0.5
127.64293	0.6
130.98552	0.6
132.98241	0.7
148.89398	0.5
161.69922	0.5
167.57733	0.6
186.95576	2.5
207.17546	30.8
208.17917	1.8
216.53078	0.6
225.18611	100.0
226.18959	6.0
251.16539	3.4
254.05913	0.6
269.04495	1.1
269.17593	44.2
269.21185	8.9
269.24832	2.7
270.17874	2.1
270.21420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96773	0.5
57.03447	1.1
59.01397	1.4
62.72106	0.6
67.07366	0.6
69.03458	1.2
71.05016	2.2
71.56161	1.0
78.59074	0.5
83.01377	0.7
83.05041	0.9
85.02956	0.6
85.33565	0.6
101.91604	0.6
131.65616	0.5
148.28384	0.5
153.12866	0.9
155.32298	0.5
165.12750	0.9
176.03917	0.6
179.14388	0.6
180.00172	0.6
181.15942	2.8
190.17145	0.7
207.13858	5.0
225.14977	100.0
226.15283	4.9
251.12894	5.6
251.16724	1.3
252.47516	0.6
254.05728	0.8
269.04578	3.5
269.13971	64.1
269.17517	6.4
269.21231	6.6
269.24875	3.3
270.14267	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	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03464	3.6
59.01385	2.4
62.86415	0.7
62.96415	35.6
67.73397	0.7
71.01389	0.9
71.05044	0.7
73.02971	0.7
99.08173	1.0
113.09743	0.9
169.05209	0.7
186.59850	0.7
186.95654	4.2
191.14368	0.9
205.15982	1.2
207.17555	31.1
208.17842	1.7
211.13330	1.3
221.38177	0.9
223.17123	1.0
225.15041	0.8
225.18608	11.0
227.16545	0.7
233.15378	1.1
241.18059	0.9
251.16525	26.5
252.16853	1.3
269.04669	1.5
269.13284	19.3
269.17596	100.0
269.21121	10.3
269.24887	5.1
270.17926	5.9
270.20978	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	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03450	1.3
59.01379	2.6
59.51384	1.0
71.01368	1.8
71.05030	14.9
71.56624	1.7
73.02972	1.3
83.05019	2.7
97.02972	1.0
98.95593	5.0
101.02499	1.2
119.03468	1.1
121.02960	2.4
127.79549	1.1
136.50050	1.1
157.59236	1.1
195.17610	2.3
201.07010	1.2
221.19138	3.1
223.20692	25.4
224.20975	1.4
249.18654	7.1
267.06750	1.7
267.15070	3.0
267.19678	100.0
268.20062	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	269.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97323	0.6
57.03450	2.0
59.01384	100.0
81.52379	0.6
83.05035	1.3
87.00869	1.4
95.05063	0.8
99.04538	4.4
99.05095	0.6
100.97243	0.7
104.58164	0.6
109.06592	1.7
120.10378	0.6
135.04648	0.7
163.11327	1.2
165.12856	12.0
189.12880	2.4
191.10934	1.4
207.13913	19.7
208.14348	0.9
209.11833	23.6
210.12090	0.9
225.14969	12.5
251.12883	7.7
269.13959	74.8
269.21387	1.6
269.24826	1.9
270.14420	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10862	0.3
57.03451	8.8
59.01374	1.2
69.03482	0.6
70.29887	1.0
72.03748	0.3
73.03004	0.3
98.20660	0.5
137.09734	6.1
141.40932	0.3
153.09236	0.7
153.12921	0.4
155.10789	42.1
156.11096	1.1
156.44162	0.3
163.11299	1.8
165.11411	0.6
165.12849	9.9
165.56805	0.3
166.13242	0.5
179.14424	0.4
181.08707	14.4
181.15971	5.5
181.17458	0.4
193.43790	0.3
199.09801	1.3
205.12373	0.8
207.13887	9.7
225.14972	17.3
226.15410	0.6
251.12926	4.2
253.10313	0.3
269.13943	100.0
270.14322	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.3
59.01384	94.7
65.49385	0.9
79.94605	0.8
83.05027	2.2
85.77926	1.1
93.03443	1.3
95.04980	1.1
97.06618	1.7
99.04530	17.6
109.06625	2.3
111.04500	1.1
163.11310	1.8
165.12856	11.9
189.12904	1.7
207.13901	20.8
209.11841	59.7
211.41879	1.1
225.14944	11.8
251.12866	14.4
261.31427	1.1
262.59174	1.0
269.00806	1.1
269.13953	100.0
269.21313	4.1
269.24918	4.3
270.14362	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.99417	0.9
57.03455	13.7
59.01384	100.0
59.47550	0.9
61.60339	1.0
66.29787	1.2
71.01359	2.2
71.05019	4.0
71.44349	1.8
73.02958	1.1
77.63966	1.0
79.95726	1.6
83.05064	2.0
85.02940	1.4
87.00883	1.6
93.22643	1.0
95.01324	0.9
95.05022	1.0
97.06554	1.2
101.02435	1.4
108.02217	1.2
109.06628	1.0
113.02475	1.2
139.07742	1.1
151.00342	1.3
152.01146	3.0
153.01993	1.2
153.09245	1.8
161.13344	3.2
163.11301	12.2
179.14426	8.7
197.08417	1.1
205.12308	9.6
205.16069	1.0
207.10248	3.6
223.13403	59.3
224.13658	2.9
236.09628	3.0
249.14911	1.2
252.04268	1.2
267.06927	2.0
267.12384	25.9
267.15982	17.1
267.23337	1.7
268.06921	2.1
268.12610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54408	1.0
59.01382	1.5
71.01391	2.6
71.53996	1.0
72.77287	0.7
83.05003	0.9
84.02169	0.8
91.87556	0.8
93.17125	0.8
100.34894	0.8
121.02938	1.7
156.61000	0.8
189.12854	2.6
203.14468	0.8
205.16003	19.4
221.15619	1.0
223.17055	100.0
224.17424	3.5
249.14827	0.9
252.04221	1.9
267.06604	1.5
267.16049	66.1
267.19489	4.7
268.16272	1.9
270.84045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00502	0.5
55.00259	0.5
59.01377	1.7
59.98636	0.5
70.06672	0.9
70.07063	1.5
71.01376	1.1
81.82133	0.5
98.49464	0.6
99.00910	1.7
101.02450	0.5
110.03735	2.8
111.04497	0.6
113.02425	0.6
121.02950	1.3
123.04552	1.1
136.05312	0.7
142.02725	3.7
143.03040	0.6
167.14441	1.7
195.17554	0.6
205.15991	5.0
223.17055	32.0
224.17413	1.0
234.69130	0.5
239.16521	2.4
249.14972	71.6
250.15303	3.5
252.04057	0.7
254.22244	0.6
267.16028	100.0
267.19196	3.6
268.16345	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	267.1967
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01880	1.9
59.01374	2.2
69.03469	4.4
70.39839	1.0
71.01386	1.9
71.05022	10.6
79.98406	0.9
80.02661	1.2
81.03445	1.2
89.21894	1.0
91.14912	0.9
97.06590	0.9
98.95590	1.5
98.96426	1.1
101.02428	1.5
112.85400	0.9
113.02393	0.9
117.78261	0.9
121.02980	1.6
160.01651	1.1
195.17473	1.1
217.15285	1.0
217.48854	0.9
221.19069	2.8
223.20688	100.0
224.21028	4.6
232.42470	1.1
249.18666	0.9
252.04250	1.1
267.19644	34.6
267.23187	6.6
276.56021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
59.01379	3.0
62.98373	1.1
69.24136	9.4
69.24544	3.0
98.20609	2.1
130.94351	1.6
134.01282	1.3
150.64716	1.3
163.04041	2.0
203.14427	2.1
211.24004	1.7
221.15482	100.0
222.15826	4.2
247.13522	1.8
265.14471	75.1
265.17850	4.5
266.14774	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	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00827	0.3
70.04742	0.9
74.06698	0.2
74.44414	0.2
77.67776	0.2
79.95731	1.8
80.02637	0.3
91.64404	0.3
91.72201	0.3
96.96021	100.0
97.95959	0.4
118.15063	0.2
221.87169	0.3
265.14798	79.8
266.15173	3.5
273.87537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
59.01384	2.0
95.05033	4.7
114.98147	1.0
117.27173	1.0
125.09758	1.8
148.85416	1.1
171.15390	1.1
221.15463	2.8
223.13396	8.9
226.78638	1.2
265.14606	9.7
265.18091	100.0
266.18488	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	265.181
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
50.38715	0.4
55.01873	1.6
57.03445	0.6
59.01382	1.4
60.10783	0.5
65.00341	0.5
69.03471	5.0
71.01380	0.6
71.04645	0.8
71.05029	11.6
71.56779	0.6
79.95745	0.8
81.03476	1.0
83.05038	0.9
85.02962	0.5
95.05045	0.8
96.96023	32.2
97.06580	0.4
116.71170	0.5
119.00542	0.4
135.04492	0.4
139.79805	0.4
163.04021	0.5
193.16005	0.5
197.47191	0.4
219.17432	2.2
221.19121	100.0
222.19487	5.2
265.14804	25.4
265.18097	23.9
265.20914	0.7
266.15372	0.8
266.18460	1.4
283.59537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01870	1.5
57.03448	5.0
59.01385	28.3
70.53092	2.8
71.01385	35.6
71.01788	1.9
72.99316	4.6
75.00880	16.3
83.01394	1.7
85.02960	32.7
87.00883	16.1
89.02444	12.9
91.04028	0.9
93.14888	0.9
95.01377	4.7
99.00891	10.7
101.02462	1.4
102.29871	0.9
103.00375	3.6
105.01921	1.5
105.07616	0.9
108.42255	0.9
113.02461	43.3
115.00361	1.1
117.01934	2.7
129.01953	2.5
131.03519	1.0
149.04620	1.1
165.67207	0.9
166.47157	0.9
175.02490	2.2
205.07278	1.2
207.05113	2.4
249.06157	5.0
267.07224	100.0
268.07574	3.6
278.01691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
57.03447	3.6
58.00564	0.6
59.01382	24.6
69.92242	3.2
69.92517	0.7
71.01388	32.4
71.35957	0.7
72.98962	0.8
72.99310	3.8
73.02950	1.0
75.00880	14.2
83.01395	1.4
84.31213	0.6
85.02957	27.5
87.00883	15.1
89.02451	10.7
91.04004	1.5
95.01386	4.7
98.19996	1.2
99.00889	8.3
101.02458	2.8
103.00374	1.9
105.01943	2.3
111.00880	0.8
112.01712	0.8
113.02464	36.8
115.00397	1.0
117.01942	2.5
119.03518	1.5
121.54412	0.6
129.01924	2.3
131.03490	0.7
157.01540	0.8
175.02484	2.5
205.07233	0.8
207.05110	1.3
231.15176	0.7
248.70209	0.6
249.06197	4.8
267.07227	100.0
268.07565	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.6
57.03460	6.0
58.00591	3.9
59.01384	71.3
71.01389	100.0
71.54979	1.2
71.55320	1.8
72.01737	1.1
72.99306	5.0
73.02955	31.3
75.00879	3.4
83.01392	13.2
85.02958	53.8
87.00875	5.1
89.02459	22.0
93.03458	9.1
95.01399	8.9
97.02959	1.4
99.00893	11.9
101.02448	80.9
101.06036	1.5
102.02752	1.1
103.04037	1.3
111.00868	1.7
113.02458	38.7
119.03519	7.3
125.02481	2.2
128.40654	1.0
132.57353	1.1
137.02473	11.9
143.03496	4.6
150.92462	1.2
159.03003	8.6
161.04575	37.1
162.04863	1.1
163.03932	1.2
177.77521	1.2
185.70038	1.1
191.05592	1.5
265.07147	7.0
265.12921	27.3
287.53870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84487	1.1
55.01883	7.4
57.03452	8.4
57.67779	1.1
58.00590	1.8
59.01386	69.8
64.16913	1.3
68.99793	1.6
69.48107	9.3
71.01388	100.0
72.99320	6.0
73.02956	35.3
73.12854	1.2
75.00893	3.2
81.03494	1.6
83.01398	17.8
85.02959	54.6
85.43185	1.3
87.00895	6.5
89.02450	26.8
93.03464	9.5
95.01380	8.2
97.02952	2.6
98.20535	1.9
99.00881	12.0
101.02454	96.1
101.06142	2.7
111.00893	2.5
112.04048	1.5
113.02466	42.8
114.02831	1.4
119.03519	10.2
125.02472	2.6
127.04134	1.4
135.04541	1.3
137.02487	12.7
143.03506	4.0
158.75273	1.3
159.02972	8.8
161.03259	2.7
161.04565	43.4
163.03995	2.8
172.40616	1.5
177.05701	1.6
178.69046	1.7
179.03290	2.0
191.05623	1.6
205.05045	2.5
265.07043	10.5
265.12891	32.3
266.13458	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	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
58.00586	4.2
59.01385	100.0
59.62803	0.9
64.86698	0.9
69.83051	1.0
71.01386	57.1
72.01692	1.0
72.62518	0.9
72.99310	4.2
78.95887	1.4
83.01372	3.0
85.02962	12.5
87.00852	3.1
89.02451	60.0
90.02815	1.0
95.01384	3.1
96.96041	1.2
101.02444	35.1
103.04022	3.2
113.02456	24.2
119.03516	30.4
126.35896	0.9
131.03531	2.8
143.03506	4.4
149.04570	2.6
156.24780	1.1
161.04546	2.2
178.94144	1.2
179.05609	2.7
193.76845	1.0
202.29491	1.2
202.55797	0.9
265.09286	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.093
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
57.03445	3.3
58.00597	1.4
59.01384	41.0
71.01391	21.4
71.23425	0.9
71.23750	0.7
72.99313	1.1
73.02948	0.9
83.01388	1.4
85.02955	22.9
87.00900	0.9
89.02452	22.3
90.52749	0.5
91.07550	0.6
95.01357	1.3
101.02444	14.5
103.04020	35.3
104.04389	0.6
113.02462	7.2
119.03520	7.9
131.03424	0.8
139.39320	0.6
145.05098	0.8
174.11551	0.6
179.05638	2.1
186.96002	0.6
259.45706	0.6
265.09296	100.0
266.09573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Luisol B
Peak:m/z	Relative Intensity
57.03434	0.9
59.01380	6.6
69.69618	5.1
71.01386	1.9
81.03478	1.3
83.01389	0.9
83.05003	1.0
85.02958	64.7
87.00878	8.5
93.03466	70.4
94.03809	0.9
95.01395	1.7
96.36082	0.8
99.04531	1.6
101.02451	2.0
108.02149	1.8
109.02958	1.8
113.02480	1.1
121.02963	2.0
127.04025	7.0
134.03831	0.9
134.90215	0.8
135.04536	5.4
136.01675	2.1
137.02457	74.9
138.02774	2.1
139.61407	0.8
142.41183	0.8
148.05258	0.8
149.02443	2.3
150.78117	0.8
151.03993	3.0
161.02388	1.5
161.06049	0.9
162.44640	0.8
163.04033	2.1
175.00400	1.0
175.03893	1.1
177.02043	0.9
177.05595	1.5
178.99359	0.9
179.03546	7.0
188.04861	1.1
190.02748	2.0
191.03540	1.0
191.05608	2.1
203.07222	1.1
205.05067	2.0
219.06776	1.0
221.08115	1.0
265.07178	100.0
266.07486	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.59072	1.5
55.01880	3.1
57.03456	4.6
59.01383	5.1
63.77383	1.8
70.09186	6.9
70.09592	2.3
71.01393	7.8
72.92113	1.6
76.48161	1.7
79.05559	1.7
80.02647	1.6
81.03408	1.4
81.52525	1.3
83.05045	4.8
95.05055	2.9
97.02963	11.8
98.20662	2.0
105.07074	2.4
107.05061	3.9
108.05828	7.6
109.02942	10.3
109.06598	3.0
110.43568	1.6
111.04537	16.6
113.06105	9.7
119.08687	7.1
121.06618	3.7
122.03732	16.8
123.08186	7.1
124.05282	1.8
125.06099	19.7
135.08186	3.3
136.05318	19.4
137.06105	9.7
138.06886	23.0
139.07664	41.8
147.08121	1.6
148.05269	11.6
149.06061	5.9
151.07663	78.1
151.93227	1.4
152.04834	10.5
152.08458	45.1
153.09232	15.4
159.11784	4.3
161.06181	1.9
161.09737	9.1
163.07671	15.0
163.11287	1.7
167.07129	5.1
177.13051	1.6
183.67561	1.6
185.09784	2.9
186.10527	2.7
188.08487	3.7
189.09300	7.4
201.12869	42.7
202.13219	2.3
203.10779	30.7
204.11565	73.2
205.11882	3.4
219.13916	100.0
220.14241	2.7
245.11682	1.9
248.10623	3.1
263.09143	2.5
263.12891	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	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01884	7.9
57.03440	5.2
58.00596	1.2
59.01383	42.4
68.14283	1.0
69.03466	1.4
71.01388	100.0
71.05024	22.2
71.53947	1.6
72.01703	1.4
72.99311	3.8
73.02953	31.6
73.06580	3.4
75.00880	3.4
78.95914	2.4
81.03482	1.1
83.01393	13.4
83.05034	14.7
85.02960	47.3
86.03295	1.2
87.00891	3.5
89.02458	18.4
90.65470	1.1
93.03456	1.0
95.01389	7.0
96.96024	1.1
97.02937	1.2
99.00893	13.5
99.04556	1.4
101.02448	58.5
101.06088	46.6
113.02461	40.5
119.03497	4.1
125.02463	2.7
129.01944	1.6
143.03485	2.1
144.44873	1.0
159.02974	6.4
161.04562	23.8
263.02075	2.0
263.05463	1.5
263.11389	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	261.0075
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
59.01371	0.8
70.85912	1.8
71.26658	0.6
72.99316	14.9
75.00877	2.1
78.95925	2.3
79.95754	6.2
80.96555	1.1
81.03469	2.4
85.02964	0.6
93.03465	24.1
96.96006	2.3
96.97002	1.4
107.05038	1.9
110.24905	0.6
119.05035	41.6
126.15160	0.7
134.03766	0.7
134.15541	0.6
135.04538	29.0
136.04851	1.0
137.06145	1.1
163.04022	35.3
164.04366	0.9
173.04617	0.8
181.05080	81.4
182.05405	3.2
191.05630	1.3
199.00706	16.4
215.00253	7.3
236.08530	0.7
261.00748	100.0
262.01093	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	262.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00646	1.8
57.03443	5.5
59.01381	4.2
62.22522	1.7
67.01875	1.5
68.51915	1.5
69.03462	4.6
69.22072	14.0
70.02995	11.5
71.01387	6.1
72.00906	2.0
72.99287	2.3
73.02954	3.1
75.00904	1.8
78.95908	4.9
82.03030	1.6
84.04561	1.6
85.02957	66.7
86.02477	2.4
87.04531	6.1
87.92533	6.1
89.02481	2.1
93.03468	3.5
93.41917	1.7
94.03025	2.1
96.00935	3.4
96.04561	100.0
96.96967	3.3
97.02958	10.4
97.04862	1.8
98.02493	5.1
99.00898	5.1
103.92040	6.4
109.02954	1.7
110.02571	1.8
111.00896	2.2
111.04513	3.2
112.04045	4.3
113.02436	2.5
115.04006	3.8
128.03557	7.2
129.01961	20.8
138.05658	2.7
140.03528	5.3
141.01942	4.1
142.01466	42.1
144.03055	2.5
145.96745	5.3
158.04599	20.3
159.03033	2.5
164.04405	1.7
172.02579	10.4
182.05450	3.4
183.79257	1.8
190.04002	1.8
191.03705	3.3
192.06050	3.5
199.94099	4.5
202.03560	8.2
205.38005	2.0
219.05074	2.4
261.94168	3.9
262.01126	5.9
262.05670	11.9
262.97339	2.6
263.02237	4.4
263.05658	1.9
280.24539	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
60.22329	0.4
60.44283	0.4
63.67231	0.4
65.01775	0.4
70.02855	0.8
70.03268	1.1
71.01373	0.6
78.95908	78.2
79.05325	0.4
80.96531	0.5
82.02975	0.7
85.90488	0.4
96.04552	0.5
96.96966	100.0
98.02453	0.7
101.02450	0.8
117.83495	0.4
136.07753	0.4
138.97028	0.6
138.98027	5.2
152.07178	1.2
153.07558	2.2
160.88951	0.4
168.99078	3.2
176.73521	0.4
185.60689	0.4
199.00191	2.5
213.05162	0.6
218.60098	0.4
223.00163	0.6
241.01234	1.4
241.05113	0.6
242.07031	0.5
258.92697	0.4
259.02264	13.7
260.07849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1551
Annotation	2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-2H-pyridin-3-yl]ethanol
Peak:m/z	Relative Intensity
52.92131	0.6
57.56986	0.7
59.01384	32.5
64.85709	0.6
71.56782	0.9
72.99312	1.4
75.00887	1.0
79.82522	0.8
81.54418	0.6
87.21741	0.7
101.45108	0.7
140.96341	0.7
179.14427	5.7
197.15488	36.3
198.15791	1.4
199.13409	100.0
200.13730	4.3
213.14859	0.8
241.14485	12.7
257.17346	0.7
259.06204	1.6
259.15512	76.1
259.18979	5.7
260.15796	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	259.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93471	0.3
59.01385	0.7
60.28419	0.4
61.46579	0.4
65.37019	0.4
71.01380	0.7
72.04542	0.4
74.02493	0.9
78.95911	66.9
82.02983	1.7
87.05621	0.5
96.04548	0.9
96.96971	100.0
97.04873	0.5
98.02496	1.1
98.19873	1.0
100.04049	0.9
101.02453	1.1
112.04049	0.9
113.64626	0.4
119.47359	0.4
132.06705	0.6
138.97041	0.8
138.98035	5.5
147.87206	0.4
150.98091	0.6
152.07211	1.6
153.07567	5.1
154.64221	0.4
168.99110	2.6
197.06480	0.9
198.07903	0.5
199.00191	2.2
213.05176	1.2
240.91640	0.6
241.01198	1.5
241.05347	1.3
242.06659	0.9
259.02264	11.9
259.05487	0.7
259.06201	0.7
260.07797	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	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
59.01374	0.3
62.96402	0.2
69.74164	0.3
71.01046	0.1
71.01372	0.5
73.02929	0.1
78.95909	72.8
81.24075	0.1
83.01424	0.1
89.02425	0.1
95.26685	0.1
96.96968	100.0
101.02443	0.9
136.94989	0.1
138.93791	0.2
138.98038	5.8
150.98030	0.3
161.04617	0.1
168.99095	3.0
178.96109	0.5
196.92693	0.2
198.90628	0.6
198.92097	0.2
199.00148	3.3
199.01999	0.2
214.93658	0.5
216.90627	3.2
217.90765	0.2
223.00134	0.6
234.91702	0.2
240.91565	0.8
241.01250	0.7
258.84723	1.9
258.92059	1.6
259.02240	11.7
259.91684	0.1
260.02585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87946	0.3
54.30495	0.3
55.01878	1.0
57.03435	0.3
60.85927	0.3
61.70621	0.3
67.79913	0.3
69.03471	1.7
71.01404	0.4
71.05019	0.9
71.54052	0.3
71.54466	0.5
72.04558	3.0
74.02477	0.6
78.95911	11.6
81.19619	0.3
82.02991	8.3
83.01395	1.0
83.05029	0.4
84.04549	1.9
86.06145	1.7
94.02991	11.2
95.03866	0.3
96.04561	16.2
96.32745	0.3
96.96982	5.8
97.38966	0.3
97.98676	0.3
98.02476	4.6
99.00893	1.1
100.04044	1.1
107.05033	0.4
108.04560	1.1
109.06604	0.6
110.06111	0.6
112.04047	3.0
116.98555	0.3
119.11771	0.3
122.02474	0.3
122.06114	0.6
123.03240	0.7
124.03996	0.3
124.07704	1.3
130.05095	2.7
134.06152	1.5
135.04535	0.4
136.19974	0.3
138.98001	0.5
140.03577	0.3
141.58035	0.3
142.08727	0.5
150.05623	2.8
152.07182	100.0
153.07553	2.7
169.11166	0.3
178.05124	4.4
194.04651	0.7
196.06161	12.1
213.05077	0.7
222.04051	1.0
222.96164	0.3
240.05151	17.0
241.05193	1.1
258.01733	1.0
258.06198	13.2
259.02228	0.8
259.06323	0.5
264.42236	0.4
275.74033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2123
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
59.19441	0.2
72.97703	0.2
86.00460	0.2
98.20657	0.6
106.53511	0.2
184.17569	0.2
211.20682	4.3
221.84256	0.7
239.20192	1.7
255.19766	0.6
257.21234	100.0
258.21558	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	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
71.71665	0.3
74.02485	1.0
75.25307	0.3
97.06562	0.4
113.09733	2.3
113.85374	0.3
125.09718	1.4
127.11297	2.3
141.12886	0.5
171.04147	0.3
195.17484	0.5
211.20691	2.9
219.84464	1.7
220.84532	0.4
221.84245	4.2
239.16551	0.5
239.20161	1.7
255.19641	1.2
257.21246	100.0
258.21555	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	257.2126
Annotation	15-Hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
57.03444	0.7
59.01385	100.0
60.01704	0.8
69.11821	0.5
69.84451	2.3
78.10886	0.5
81.25993	0.4
83.05083	0.6
87.11007	0.6
103.44727	0.5
112.74843	0.5
151.04997	0.5
195.17485	0.8
202.87025	0.5
211.20668	1.4
219.84590	1.5
221.19102	0.6
221.84279	2.1
257.04401	0.6
257.21249	61.5
257.23755	3.2
257.93970	3.3
258.21545	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	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
51.27186	1.7
59.01384	100.0
71.55106	1.6
71.55486	2.9
72.99317	2.0
93.60052	1.5
138.58971	1.6
159.86070	1.6
178.81422	1.7
206.13089	1.9
211.20677	25.7
219.84563	2.7
221.84322	5.0
229.67296	1.9
257.21283	92.7
257.23944	10.5
257.93869	8.5
258.21622	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	258.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
58.09932	0.6
69.03454	1.5
71.05018	1.0
71.54413	0.8
72.04548	2.9
78.95907	21.8
82.02995	7.6
83.01402	0.9
83.05024	0.7
84.04561	2.2
86.06122	2.3
94.02993	9.8
96.04557	16.9
96.96971	28.4
96.97605	1.4
98.02477	3.7
99.00893	1.2
101.02467	0.7
108.04581	0.9
110.02517	0.7
112.04060	2.4
122.06100	0.9
124.07682	1.4
129.79710	0.6
130.05109	3.7
134.06128	1.5
135.04535	0.8
138.98041	2.3
150.05595	2.9
152.07181	100.0
153.07558	3.3
168.99065	0.7
176.71716	0.6
177.03436	0.7
178.05080	4.3
178.68448	0.6
194.04633	0.7
196.06134	12.0
197.06456	0.9
240.02919	0.7
240.05139	16.9
241.05478	0.7
242.00780	0.6
258.06204	12.6
259.02213	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	255.1968
Annotation	SCHEMBL16293729
Peak:m/z	Relative Intensity
51.56195	0.3
57.03453	0.9
59.01377	3.1
69.30197	3.4
71.05026	0.9
71.92440	0.4
72.99294	0.5
96.95988	0.4
112.98595	0.4
113.05593	0.3
152.91762	1.4
170.43187	0.4
183.17554	1.5
194.92809	1.3
195.17451	0.4
207.17537	1.6
209.19121	42.0
210.19446	2.3
211.20677	1.0
219.84512	1.2
237.18559	2.3
255.19675	83.6
255.23288	100.0
256.20001	4.9
256.23663	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	255.2332
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
64.30603	0.3
69.50092	2.4
98.20658	0.7
142.32918	0.4
190.59747	0.4
255.23326	100.0
256.23669	6.9
276.95251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03440	0.3
57.83939	0.3
62.29942	0.3
70.30439	1.1
77.86311	0.3
83.05956	0.3
94.69449	0.3
103.92406	0.3
137.92577	0.3
193.16054	0.8
195.17551	54.1
196.17949	2.5
203.64799	0.3
213.18565	1.6
239.16534	60.4
240.16869	2.7
257.17593	100.0
258.17923	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	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03452	0.5
58.68780	0.3
59.01371	0.5
60.99320	2.5
71.01392	0.4
73.12083	0.3
82.72913	0.4
83.05038	2.2
83.83934	0.3
95.05000	0.4
99.04527	1.0
101.02490	0.5
109.06575	1.0
109.62223	0.3
111.08163	1.6
125.09704	0.5
139.11313	1.1
151.11273	1.2
207.17502	1.1
216.74615	0.3
217.42424	0.3
233.15489	0.5
251.16539	100.0
252.16910	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	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01388	4.0
70.29302	5.8
71.01390	2.9
76.23869	1.4
85.03002	1.8
92.14055	1.4
92.33670	1.7
101.02422	3.2
116.48009	1.8
128.87143	1.4
133.33459	1.7
156.47409	1.6
207.13907	1.9
251.16548	100.0
252.16869	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	255.1969
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
57.03448	0.8
63.20769	0.3
69.97005	1.4
79.04263	0.3
91.00129	0.3
95.62400	0.3
122.72593	0.3
152.91766	1.1
194.92834	1.6
195.17462	1.6
211.20662	0.7
219.84546	2.7
255.19666	100.0
255.23268	34.0
256.20047	4.5
256.23502	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	255.1967
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
52.86230	0.3
57.42726	0.4
59.01386	0.4
69.89369	1.9
89.83067	0.3
123.60601	0.4
152.91808	0.6
184.00206	0.8
194.92857	0.8
209.19165	0.8
211.20688	1.2
219.84579	1.5
237.18645	1.5
255.19688	100.0
255.23294	35.2
256.20029	6.0
256.23621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
69.71439	0.5
71.05019	1.2
71.27130	1.1
71.27568	0.4
74.30961	0.4
75.43395	0.4
81.39964	0.5
94.04270	1.5
121.06552	1.0
133.06616	1.7
135.08179	1.8
137.09740	11.1
138.69868	0.5
164.62126	0.5
177.12843	4.0
189.12862	24.2
190.13213	1.4
203.14465	3.7
204.04332	1.7
205.15988	100.0
206.16321	4.7
219.06613	1.1
219.13951	2.7
249.14986	91.4
250.15231	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	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24411	1.2
51.55987	1.2
55.01889	12.2
57.03459	7.7
58.00589	2.8
59.01383	78.2
70.28518	4.9
71.01388	100.0
72.99310	3.4
73.02954	31.9
75.00875	2.3
80.56575	1.3
83.01401	16.8
83.77227	1.2
84.02148	1.3
85.02960	45.3
87.00871	4.6
89.02454	18.8
95.01392	8.8
97.02945	2.6
99.00888	12.6
101.02451	88.6
102.02781	1.3
106.30621	1.2
107.84301	1.3
112.06913	1.5
113.02461	40.9
114.02718	1.7
119.03496	4.8
125.02472	1.5
129.01927	2.0
143.03500	3.1
159.02979	11.1
161.04568	39.6
202.54102	1.5
251.11374	15.0
253.89214	1.6
274.73053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62651	0.4
53.61748	0.4
57.03448	1.8
59.01367	0.6
70.74362	0.5
71.01391	0.5
71.05038	0.6
71.05862	0.6
71.14183	1.1
72.99316	3.4
73.03003	0.4
75.00880	100.0
76.01219	1.0
83.05039	0.6
88.04273	0.4
97.06589	5.1
123.08162	2.1
125.09737	46.6
126.10098	1.1
139.11299	1.7
143.10847	0.8
155.10854	0.8
169.08681	1.2
183.10297	0.9
186.35828	0.5
187.09770	75.0
188.10127	1.9
201.11345	1.2
227.09247	0.8
227.12971	1.1
230.05800	0.9
245.04604	0.9
245.10309	22.9
245.13902	2.8
246.10690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0175
Annotation	Pyridoxal-5'-phosphate hydrate 
Peak:m/z	Relative Intensity
53.40220	0.3
54.19697	0.3
62.74646	0.4
62.96413	1.2
71.55420	0.6
78.95910	83.3
89.02460	0.3
92.05083	0.4
95.66063	0.4
96.96969	100.0
97.55723	0.4
128.03575	0.3
138.05598	0.4
148.04054	0.5
166.05074	0.7
200.05585	0.4
218.02267	0.5
228.00688	2.1
246.01717	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	247.1704
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.33023	0.1
59.01395	0.2
62.37693	0.1
64.96458	0.2
66.54623	0.1
69.45986	1.1
98.20690	0.3
107.07111	0.2
121.02949	0.2
132.98177	0.2
141.80542	0.1
147.00816	0.1
165.01918	0.2
184.00159	1.1
186.95613	0.3
189.30435	0.2
205.15952	0.2
220.17076	0.8
231.13864	0.5
247.17032	100.0
248.07965	1.2
248.17375	4.9
248.58147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88917	0.5
59.01397	0.6
76.04763	0.6
97.02987	0.6
97.06578	0.8
99.08158	2.8
111.00883	0.9
113.09735	0.9
125.09745	2.9
127.11272	1.9
141.12920	0.5
150.05640	0.5
166.83965	0.6
181.16051	1.2
197.19072	2.8
200.71181	0.5
215.16530	1.3
225.11308	0.7
225.14999	1.3
225.18591	2.3
241.18106	1.0
243.06642	0.9
243.16193	2.9
243.19666	100.0
244.20012	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	243.1968
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
54.59927	0.7
56.85526	0.6
67.01893	0.8
70.65784	0.5
71.01546	1.3
74.96903	0.7
76.89604	0.7
83.05069	0.8
90.38581	0.7
99.00886	0.9
163.84155	0.6
169.16023	1.1
193.16084	0.8
195.17459	3.5
197.19119	65.9
198.19504	3.0
225.18607	1.8
241.18295	0.8
243.19664	100.0
244.20015	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.24102	0.5
67.16573	0.5
69.47543	0.5
69.71645	3.0
72.99335	0.8
77.62331	0.5
78.95910	100.0
85.53960	0.5
89.50286	0.5
96.96969	8.6
98.20567	0.7
125.73282	0.6
135.55066	0.5
150.98019	0.9
152.99596	74.4
153.99969	0.7
171.00655	31.1
245.04330	78.8
246.04759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
52.36316	0.2
59.01374	0.5
64.75509	0.2
66.93408	0.2
67.31609	0.2
98.20683	0.4
112.45045	0.2
114.26364	0.2
117.34666	0.2
174.29221	0.2
184.14824	0.2
197.19090	4.8
197.20911	0.4
198.19395	0.3
225.15103	0.3
225.18596	1.7
226.18884	0.3
237.41589	0.2
241.18089	1.3
243.19655	100.0
244.19986	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	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03448	0.4
62.17553	0.3
69.94097	0.5
69.94438	1.5
97.54208	0.3
113.66936	0.3
114.60620	0.3
118.06302	0.3
125.26000	0.3
135.67526	0.4
179.14404	1.0
181.15999	47.5
182.16319	1.6
199.17099	1.6
225.14984	68.2
226.15308	3.3
243.16029	100.0
244.16360	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	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03455	1.7
59.01375	5.7
59.01683	1.1
67.01896	1.6
69.03452	1.7
71.05019	2.9
71.56879	1.7
72.38663	1.3
72.99308	1.3
75.00877	1.7
75.18530	1.3
83.05047	1.9
83.07217	1.3
91.01923	2.0
93.03465	1.8
97.02956	5.2
97.06600	3.2
99.00901	19.8
108.02176	3.4
109.02957	4.8
109.06592	1.7
110.02466	1.4
111.00851	1.7
113.02493	1.5
123.00898	1.9
125.09719	7.0
125.51492	1.3
135.00902	1.5
137.09698	2.6
141.09216	2.2
142.02736	2.6
153.12909	2.1
163.11279	9.7
171.10320	2.1
181.12340	24.4
182.12630	1.2
183.10233	4.5
187.81348	1.2
193.41093	1.6
199.07745	1.6
199.13400	20.8
201.05606	2.4
207.10281	40.5
208.10468	1.3
213.06639	1.5
225.11340	82.0
226.11688	3.6
240.97311	1.2
243.03084	5.9
243.06699	19.8
243.12378	100.0
243.16116	4.9
244.06944	1.7
244.12711	2.9
261.38113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.99801	1.2
78.01960	1.1
85.22301	1.1
122.54790	1.1
125.02512	1.3
153.02026	1.4
162.83916	1.3
163.00433	1.4
169.15971	2.1
178.02745	1.0
184.00168	8.3
184.50441	1.9
193.05234	1.2
195.17580	2.2
197.15509	1.7
197.19069	1.6
211.06088	1.2
213.82132	1.2
222.91743	0.9
241.07182	6.6
241.14336	2.6
241.18124	63.2
241.21611	5.1
241.57416	2.1
242.18187	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2175
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
55.97919	0.3
69.44793	0.5
69.45197	1.7
71.91582	0.3
98.20685	0.5
101.84022	0.3
118.52181	0.3
139.65417	0.3
155.15810	0.3
160.49704	0.3
199.01834	0.3
241.21742	100.0
242.22090	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	242.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.7
61.25014	0.9
63.50689	1.1
70.61555	2.2
70.61900	1.0
72.04556	29.6
73.02940	1.5
78.94824	0.9
78.95933	1.5
82.02989	100.0
83.01385	3.2
83.03326	1.4
84.76815	0.9
87.00872	1.2
92.38029	0.9
94.68773	1.1
96.04582	2.8
96.32674	1.2
98.02480	16.2
98.20602	1.0
99.00891	4.2
100.04056	41.4
101.02460	7.4
101.04405	1.1
106.64387	0.9
109.38449	1.1
112.98826	3.7
114.05614	12.2
126.09248	2.1
134.06099	1.2
136.07704	11.6
142.99875	1.4
154.08716	3.8
168.06709	1.8
173.00951	2.3
180.06770	0.9
183.01421	1.7
194.56091	1.0
196.06134	17.6
198.07742	9.6
214.07236	1.7
225.30270	1.1
232.13179	0.9
242.06721	69.9
243.06934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1812
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
50.30084	0.2
51.19223	0.2
52.09513	0.2
53.18892	0.2
57.03440	0.6
58.50119	0.2
59.01371	0.5
70.95248	0.4
70.95583	0.4
71.05011	0.3
73.02954	0.2
101.02455	0.2
104.72484	0.2
107.51530	0.2
109.54504	0.2
162.83908	0.2
181.15988	1.5
184.00142	0.5
197.19089	0.8
211.05888	0.2
241.07176	0.9
241.18094	100.0
241.79379	0.2
242.18430	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	241.1812
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
51.11426	0.3
57.98849	0.3
59.01379	0.4
62.33430	0.3
65.67022	0.3
70.28800	1.2
71.76382	0.3
75.31544	0.3
80.55044	0.3
86.49999	0.3
184.00247	1.7
184.50395	0.6
195.17543	1.1
197.19180	1.1
203.50687	0.3
223.13611	0.4
223.17122	2.2
230.52632	0.3
241.07243	1.4
241.18102	100.0
241.57300	0.4
242.18414	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	241.181
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
52.18062	0.8
57.03450	1.4
59.01381	5.7
69.22199	0.6
71.01397	1.0
71.55409	0.8
160.84151	0.9
169.16003	1.7
184.00212	1.1
193.15987	1.4
195.17551	54.2
196.17868	1.8
197.15417	0.8
197.19095	1.2
211.06131	1.4
222.98555	0.8
223.16968	1.8
241.07207	2.0
241.18098	100.0
241.21533	3.5
242.18407	4.1
246.97345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1448
Annotation	A Factor
Peak:m/z	Relative Intensity
57.03447	2.4
59.01378	1.7
69.03471	0.8
70.00641	2.1
71.01402	0.6
71.05031	0.9
83.05045	0.9
83.46925	0.6
85.06588	0.9
97.06559	0.9
97.27864	0.6
98.20625	1.2
105.72523	0.6
106.05801	0.5
106.22827	0.7
125.09772	0.7
135.00998	0.7
137.09718	0.7
139.11302	1.5
146.86891	1.1
178.02728	0.7
179.14435	27.0
180.14687	0.9
195.13979	1.7
195.17404	0.7
197.15485	25.9
198.15878	0.8
199.13425	0.9
211.06194	0.9
213.14877	1.5
223.13414	20.6
224.13657	1.0
241.14470	100.0
241.18001	10.0
241.21729	2.7
242.14787	3.7
242.17737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1448
Annotation	A Factor
Peak:m/z	Relative Intensity
57.03454	1.8
59.01363	2.2
66.29661	1.4
70.20708	1.4
71.08588	3.0
73.20274	1.1
116.70175	1.2
121.50766	1.1
130.30841	1.4
136.70000	1.2
146.86888	3.9
147.33618	1.7
153.12857	4.9
163.00345	1.6
176.99409	2.0
179.14410	23.2
184.00082	1.7
197.15486	100.0
198.15727	3.3
199.13419	6.5
222.44835	1.5
223.13373	4.9
225.02574	2.7
228.42360	1.3
241.05096	1.4
241.07260	3.5
241.10854	2.2
241.14418	49.2
241.18071	52.8
241.21669	8.9
242.14641	2.6
242.18555	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
50.49925	0.3
50.78841	0.3
52.42830	0.3
57.03445	0.4
59.01374	0.7
59.97392	0.3
79.75060	0.3
83.98206	0.3
97.06617	0.7
105.61723	0.3
125.09744	0.4
127.11301	2.0
141.12869	0.8
146.86824	0.4
169.12344	0.8
171.10335	0.7
173.88936	0.3
178.02815	0.5
182.46289	0.3
185.11829	1.1
197.15439	1.0
199.13428	3.4
204.09761	0.3
213.14983	0.5
223.17033	1.3
239.16484	1.5
241.07188	0.8
241.18100	100.0
242.18472	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	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.14549	1.0
55.06423	0.9
57.03447	1.9
59.01372	3.0
59.51978	0.9
64.56817	1.0
65.16780	0.8
69.03460	3.4
69.62791	6.0
71.01399	0.9
71.05023	6.0
73.02966	1.6
80.36222	1.1
81.03473	4.3
83.05034	20.7
93.03481	1.0
95.05014	1.5
98.20690	1.1
101.02426	1.7
123.08247	1.2
125.09768	2.5
137.09752	1.2
143.04990	1.0
151.11237	1.2
153.12839	3.6
163.00444	1.2
177.09232	1.1
178.02692	1.2
179.10779	7.8
195.15115	2.4
197.11852	100.0
198.12181	3.3
211.06197	1.9
213.05614	1.9
213.16141	4.6
214.10977	0.9
223.09792	2.8
241.01230	1.3
241.05159	4.1
241.10838	73.2
241.14355	10.1
241.17952	1.9
241.21730	4.4
242.11206	2.3
247.98721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62384	0.8
56.60430	0.7
59.01385	1.9
69.32037	7.3
69.69672	0.7
91.01913	1.4
95.01370	1.7
97.02935	1.1
107.01420	0.9
111.00864	1.3
122.03733	1.2
123.00895	8.9
124.92769	0.8
125.02416	1.5
135.00894	4.7
138.03233	3.5
139.00356	2.6
139.04005	4.9
149.02411	1.3
150.03192	3.5
151.00388	1.5
153.01936	21.6
153.05568	3.2
163.00383	65.8
164.00671	1.8
166.02710	1.0
178.02721	85.3
179.03229	2.6
181.01433	36.1
182.01855	1.3
183.06633	23.2
193.05060	56.7
194.05382	1.6
195.02959	1.5
196.03746	10.3
209.04521	1.4
211.02596	4.4
211.06119	100.0
212.06445	3.5
226.04848	14.6
241.07176	48.4
242.07491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35471	0.7
56.62152	0.9
57.31052	1.0
59.01366	1.6
69.03488	0.9
69.46664	5.9
95.01378	2.4
109.02975	1.2
111.00895	1.2
121.02971	1.6
123.00905	8.3
124.01656	0.9
125.02459	1.5
125.04306	1.2
134.82100	0.8
135.00946	4.7
138.03212	3.7
139.00418	2.1
139.04013	4.6
149.02487	1.4
150.03201	3.1
151.00386	1.6
152.55962	0.9
153.01939	18.3
153.05577	3.1
153.73055	0.9
163.00383	63.1
168.17363	0.8
169.56749	1.1
178.02727	78.0
179.03220	2.3
181.01440	37.1
182.01979	1.0
183.06635	24.7
189.64056	0.9
193.05063	48.8
194.05547	2.0
195.03172	1.2
195.16356	0.9
196.03770	9.3
208.03876	0.8
209.04654	1.1
211.02603	4.7
211.06125	100.0
212.06453	3.6
226.04831	13.2
241.07182	50.1
241.10995	2.1
241.14433	1.1
241.18114	1.0
241.21806	3.0
242.07533	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
59.01385	28.7
60.38792	0.6
61.98871	0.6
66.98349	0.6
71.55618	0.7
74.58391	0.5
85.02966	1.4
87.00883	1.2
88.81709	0.6
90.11266	0.6
95.01396	0.7
96.96040	1.2
97.19992	0.6
109.06567	0.7
113.77839	0.5
123.00829	0.7
128.48270	0.6
132.36444	0.8
139.04016	1.0
139.11337	0.7
154.06375	2.3
157.12355	100.0
158.12686	3.5
161.04657	1.5
167.14394	1.3
179.05620	6.5
179.14439	2.5
193.16032	1.3
195.13947	8.9
195.17567	3.1
211.17006	4.0
221.15482	4.8
223.02840	1.6
239.12955	9.8
239.16541	73.0
240.16882	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	239.1654
Annotation	Chokol F
Peak:m/z	Relative Intensity
55.01882	1.9
59.01384	18.0
69.03452	3.1
71.05032	10.5
71.56544	1.6
74.47528	1.4
75.86617	1.7
83.05057	1.8
85.02955	1.3
87.00870	3.2
96.96029	2.3
97.02953	1.3
101.05981	1.5
101.10927	1.5
111.08260	1.4
123.00903	2.5
123.04562	1.5
154.06375	1.9
161.04593	2.4
179.05669	11.8
179.14400	4.4
193.15901	2.1
195.13850	5.3
195.17557	100.0
196.17870	4.7
207.04149	4.9
221.15483	2.6
223.00587	1.4
223.02838	5.2
239.06900	17.4
239.09248	2.6
239.12898	3.3
239.16554	26.8
239.20143	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	239.2019
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
59.01371	0.4
69.63231	2.0
78.70055	0.3
81.79402	0.3
117.93228	0.3
165.73320	0.3
167.75922	0.3
168.43076	0.3
179.05716	0.4
195.13928	0.5
195.75931	0.3
207.03931	0.5
223.02861	1.2
239.06657	0.8
239.12096	1.1
239.20174	100.0
240.20526	4.3
245.69774	0.3
254.06180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
50.63064	0.3
59.01389	4.7
69.03467	3.5
71.05038	0.4
74.68961	0.3
98.20745	0.9
116.83817	0.3
163.11250	1.0
175.60785	0.4
177.12843	1.1
179.05588	0.5
179.14426	52.7
180.14728	2.7
193.15860	0.5
195.17546	18.4
196.17963	0.8
204.75710	0.3
221.15475	41.1
222.15887	2.0
223.02887	0.5
239.16527	100.0
240.16887	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	239.1292
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01885	1.9
57.03453	9.0
59.01381	6.1
63.47027	0.6
67.01906	1.9
69.03461	1.8
71.01405	1.6
71.05006	2.0
74.33895	0.6
80.02692	1.2
81.03468	3.3
83.01391	2.8
83.05037	19.6
84.02160	6.0
85.02956	75.0
86.03301	0.7
87.00898	1.1
89.97688	0.6
90.75883	0.7
92.63859	0.6
95.05047	1.0
97.02959	5.5
97.06573	1.3
98.20699	1.5
100.75275	0.6
109.06617	2.8
110.03739	2.3
112.98584	0.7
120.11031	0.6
123.04498	1.1
125.09698	0.9
136.05302	0.8
137.09729	1.3
142.02742	2.5
144.87184	1.0
149.09731	0.9
151.11310	1.6
153.09143	0.7
155.10783	4.1
161.04607	1.1
171.10283	4.5
175.11351	1.1
177.12846	5.5
179.05605	4.9
179.10777	0.8
193.12355	6.0
193.30623	0.6
195.10312	1.2
195.13925	10.5
211.13399	0.8
221.11839	52.9
222.12236	1.6
223.02841	0.7
229.21132	0.6
239.12904	100.0
239.16463	19.2
240.13354	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01885	2.1
57.03451	11.4
59.01387	6.8
67.01892	2.0
69.03449	0.9
71.01407	1.3
71.05038	1.5
73.02950	1.3
74.06716	0.8
80.02670	1.0
81.03466	3.1
83.01395	3.2
83.05038	18.8
84.02168	7.3
85.02959	85.1
87.00864	0.9
95.05040	1.4
97.02960	6.9
97.06541	1.1
107.92173	0.8
109.06611	3.0
110.03729	2.6
112.98608	0.8
123.04527	1.7
123.08148	1.0
125.09756	1.5
139.11311	0.9
142.02708	3.2
144.87177	1.1
151.11324	1.7
155.10796	4.6
161.04561	1.6
167.14471	1.0
171.10269	5.7
177.12865	5.2
179.05612	5.0
193.12314	7.2
195.13910	10.4
211.13428	2.0
221.11847	52.7
222.12201	1.5
223.02824	1.7
239.12903	100.0
239.16457	18.5
240.13264	3.8
240.16849	1.0
247.11784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87813	1.0
57.03446	1.0
59.01385	31.2
68.99564	1.4
71.54015	1.2
83.05006	1.1
85.02966	2.1
87.00864	1.7
96.96026	2.4
103.99764	0.9
108.28979	0.8
108.67151	0.8
111.08173	1.0
112.18508	0.8
112.98561	1.4
123.00905	1.0
139.11316	1.0
144.87157	3.7
154.06383	3.0
157.12347	100.0
158.12701	2.3
167.14374	1.0
179.05638	6.3
179.14452	2.1
189.46982	0.8
193.15961	1.0
195.13893	10.1
195.17538	4.1
211.17032	2.3
214.99120	1.0
221.15424	3.1
223.02831	3.7
239.07004	1.6
239.09123	1.2
239.12880	12.9
239.16522	58.6
239.20193	1.7
240.16788	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72962	3.5
59.01384	100.0
71.01378	10.0
77.42847	3.2
78.95918	6.6
85.02966	11.4
87.00876	21.9
94.02966	3.5
99.00859	6.0
101.73027	3.6
152.07175	9.1
159.02728	4.1
159.74933	3.6
161.04558	16.2
172.14313	3.8
179.05612	96.6
221.06737	17.9
239.07697	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72962	3.5
59.01384	100.0
71.01378	10.0
77.42847	3.2
78.95918	6.6
85.02966	11.4
87.00876	21.9
94.02966	3.5
99.00859	6.0
101.73027	3.6
152.07175	9.1
159.02728	4.1
159.74933	3.6
161.04558	16.2
172.14313	3.8
179.05612	96.6
221.06737	17.9
239.07697	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	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.27914	0.5
59.01380	3.1
64.79379	0.5
69.03462	3.8
69.27116	0.5
71.01378	1.6
71.08343	1.3
71.17187	0.5
75.36559	0.5
78.75606	0.5
79.89479	0.7
84.46807	0.5
85.02956	0.9
97.02966	0.5
99.93671	0.6
101.02455	1.9
116.92881	1.0
117.01927	0.6
145.03049	0.7
161.04588	0.6
167.10773	3.8
177.12851	16.0
177.14308	1.2
193.16014	4.7
219.13902	7.6
237.14975	100.0
238.15395	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	235.1704
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
54.69247	0.3
59.01392	2.1
62.87554	0.2
65.76875	0.3
69.73229	1.3
71.01377	0.4
85.02966	0.3
86.92479	0.2
92.92795	0.3
94.02984	0.3
98.19985	0.4
98.60404	0.3
103.65671	0.3
113.02470	0.4
143.37013	0.2
151.07675	0.3
190.99718	0.3
212.38348	0.3
214.22043	0.3
235.06152	0.6
235.17046	100.0
236.10562	0.6
236.17378	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	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
69.27983	0.5
69.28384	1.5
78.95924	0.2
84.55447	0.2
95.16499	0.3
134.03758	0.8
135.04489	0.4
136.05305	0.4
147.04463	0.3
148.05324	9.1
149.06052	0.4
149.09740	1.0
162.06865	0.6
171.73012	0.2
175.07706	0.3
176.08438	0.8
177.09221	44.7
178.09531	1.6
190.10020	1.8
191.10791	0.8
192.11571	31.9
193.11952	1.2
201.09207	0.5
203.07132	1.0
217.08722	3.5
218.09485	8.9
219.09863	0.5
231.53694	0.3
236.10545	100.0
237.10893	4.5
237.14890	0.5
240.72125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.01877	2.0
57.03451	3.3
59.01382	10.6
61.39036	0.6
61.60528	0.6
61.63633	0.6
63.26859	0.6
71.01381	9.9
72.99310	2.0
73.02949	2.7
74.99118	0.9
75.00877	28.0
78.95898	0.7
79.26929	0.8
83.01398	4.9
85.02956	14.8
87.00882	100.0
87.02734	2.2
89.02438	3.8
90.98601	2.9
91.46465	0.8
97.02935	0.9
99.00880	1.2
101.02455	7.7
105.03808	3.1
111.00896	3.0
113.02457	2.0
115.00356	0.6
117.01971	0.8
119.03487	0.8
120.99701	1.0
129.01947	15.6
143.03490	1.0
149.02771	2.3
150.06902	0.7
161.04533	1.7
205.03539	2.1
219.05167	1.0
237.04236	1.3
237.06161	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34567	0.9
54.00601	0.7
55.01884	12.2
57.03450	10.9
58.00586	3.2
59.01384	65.2
60.09272	0.7
68.99816	1.0
69.96724	4.0
71.01389	79.2
72.01743	1.1
72.99306	5.8
73.02953	30.5
73.03365	1.8
74.99088	0.8
75.00879	11.2
75.04528	0.8
78.95916	6.3
80.96530	0.9
83.01396	26.4
84.02173	2.7
85.02957	100.0
86.03305	1.9
87.00879	10.5
89.02451	12.4
95.01393	6.6
96.96034	1.1
96.96928	1.0
97.02957	1.9
99.00889	14.6
101.02453	81.2
102.02790	1.2
111.00895	9.4
113.02460	30.6
115.04067	0.9
119.03516	2.4
125.02457	2.5
129.01967	6.3
141.01949	0.8
143.03494	5.2
146.99448	0.8
150.36522	0.8
159.02963	7.2
161.03265	1.8
161.04576	29.6
205.03590	6.2
221.35355	0.8
237.04239	0.7
237.06238	6.8
237.09802	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	233.082
Annotation	7-Acetyl-3,6-dihydroxy-8-methyl-alpha-tetralone
Peak:m/z	Relative Intensity
54.17501	0.8
59.01382	18.1
75.00887	0.9
78.09091	0.8
85.02994	0.9
93.03471	2.8
98.19888	2.5
109.02943	0.9
128.57573	0.8
130.91039	0.8
140.20679	0.9
147.04517	3.8
149.06088	2.8
159.04526	10.8
161.02451	35.4
161.06107	1.3
162.02991	0.8
169.06575	2.6
171.04485	4.8
172.05299	33.8
173.04602	1.9
173.06024	4.6
174.03154	4.4
175.04013	74.6
176.04776	8.8
177.05560	2.5
185.06110	4.5
186.03197	1.6
186.06880	1.9
187.04054	1.1
187.07651	34.3
188.98584	1.3
189.05576	11.2
189.09210	1.8
197.06116	1.9
199.03958	0.8
200.04794	10.7
201.05544	1.1
203.03525	3.5
204.04263	6.9
204.07933	1.9
205.08681	13.9
208.03767	3.4
215.07138	86.6
216.07458	3.5
229.27541	1.2
231.06642	2.6
232.03757	2.5
233.08200	100.0
233.15469	43.4
234.08557	4.2
234.15854	1.3
246.14946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45350	0.3
59.01385	3.6
59.96729	0.5
60.97528	0.8
64.66239	0.3
74.99078	8.1
75.00898	0.4
75.86501	0.3
91.02232	1.0
93.00140	2.2
93.03490	0.6
96.96030	0.4
118.96286	1.3
134.99419	7.8
135.99347	0.3
136.97351	2.5
143.05362	1.0
148.02553	0.3
149.00972	71.8
150.00981	2.3
150.98897	1.1
159.08469	2.1
161.06400	3.7
201.04211	0.4
215.05690	1.5
217.07222	99.2
218.07367	4.7
231.14146	0.3
233.10356	100.0
234.10506	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	233.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01385	78.2
59.79195	0.6
60.01731	0.8
60.35193	0.7
66.21792	0.7
67.01893	5.6
69.03452	1.4
70.59147	0.9
70.59485	1.6
71.01398	5.2
76.06792	0.7
81.03462	2.2
83.05026	1.7
83.77422	0.8
85.02967	1.5
87.00875	0.8
93.03468	30.7
95.50349	0.7
96.96012	1.2
96.96970	0.8
99.00883	1.3
109.02958	1.9
111.00858	1.4
111.04537	6.6
127.04026	1.4
137.02470	5.3
155.03505	5.7
168.75409	0.7
173.04559	100.0
174.04906	1.3
191.05626	1.2
233.06696	17.0
233.15529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1809
Annotation	O-11
Peak:m/z	Relative Intensity
54.95638	0.4
59.01378	0.7
60.47345	0.3
65.27959	0.3
72.99321	0.8
79.73779	0.3
98.19862	0.9
121.87336	0.3
140.71173	0.3
141.06741	0.4
145.53709	0.3
167.14406	3.1
170.88391	1.1
181.95377	0.4
183.17542	4.6
185.15541	0.7
211.13455	3.4
211.16971	1.9
227.16525	0.9
229.01361	0.4
229.18086	100.0
230.18422	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	230.013
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01369	1.9
62.34234	1.1
71.55808	1.4
72.99314	1.2
73.01167	6.2
78.95904	2.1
80.05079	2.0
82.03012	6.4
96.04563	30.6
98.99133	4.5
107.05054	2.7
108.04570	32.9
114.00205	89.3
130.08734	3.3
142.03339	100.0
143.03612	2.3
151.04010	9.6
165.36751	1.2
171.06633	1.8
183.68228	1.0
186.02316	36.0
187.10938	2.5
187.18993	1.1
230.01283	79.5
230.15536	1.3
230.99657	4.2
231.01663	2.5
231.13458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.5
59.86118	0.5
59.86415	0.5
70.70187	1.6
72.99325	2.0
73.02966	0.7
75.14834	0.4
76.54668	0.5
78.95926	1.9
79.95734	3.5
80.96523	2.0
81.03464	1.7
85.02938	0.6
87.92556	0.5
93.03478	2.6
95.95229	3.9
96.96025	1.3
106.04266	2.0
107.05042	43.5
108.02166	1.2
108.05366	0.8
109.06652	0.5
116.94099	0.5
121.02972	1.6
123.04540	2.7
138.03320	0.7
138.17787	0.5
151.04022	100.0
152.04361	2.5
169.08743	1.2
170.88220	2.8
170.89636	0.7
171.06598	2.7
174.99203	0.6
187.00694	2.8
187.07619	0.5
187.09669	0.8
216.29881	0.5
230.99702	55.2
231.08728	2.7
231.17769	0.8
231.99936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0667
Annotation	(R)-(Homo)3-citrate
Peak:m/z	Relative Intensity
59.01385	100.0
60.99320	1.4
67.01894	4.6
69.03468	1.3
69.87510	3.3
71.01386	4.0
78.95908	4.6
81.03473	1.9
83.05035	1.2
85.02968	0.8
87.00909	2.2
93.03471	23.7
96.96027	2.4
96.96962	8.2
99.00912	1.1
108.74966	0.6
111.00905	1.4
111.04513	5.8
113.02486	0.7
121.65405	0.6
129.01982	1.0
135.04562	0.8
137.02478	3.1
155.03528	4.9
160.99005	0.6
161.02698	1.0
173.04559	63.7
174.04939	1.5
191.05672	2.7
220.49057	0.7
233.01221	1.0
233.06679	21.0
233.15532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0516
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
51.02658	0.9
52.01274	1.0
52.04163	0.9
59.01371	2.1
64.45341	1.0
71.01392	1.4
71.55299	1.4
78.95919	2.1
80.02662	1.1
80.05087	2.8
80.79726	0.8
82.03001	1.6
83.01400	1.0
85.06593	2.3
90.40274	0.8
90.60836	0.8
92.05058	6.6
94.06636	21.3
96.04575	4.6
96.96976	0.9
98.02483	1.7
99.92581	1.2
107.03779	4.3
108.04581	3.6
110.06140	3.6
112.07692	4.8
112.98827	1.9
113.99133	1.6
116.92857	1.5
120.04540	4.5
122.06140	100.0
123.04540	1.0
124.04016	1.4
138.05621	4.2
140.07201	15.2
166.05106	59.2
167.05519	2.1
184.06165	23.8
208.72403	1.0
210.04128	5.1
228.05164	49.3
228.08742	2.0
229.05301	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.08055	0.4
57.03466	0.7
89.30112	0.4
106.53914	0.4
130.73108	0.4
165.12834	1.3
167.14426	38.7
168.14740	1.0
185.15427	1.3
192.58551	0.4
195.99850	0.5
211.13409	57.5
211.80151	0.5
212.13809	2.4
229.14455	100.0
230.14748	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	227.1654
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
53.13424	1.5
53.52022	1.4
59.01387	2.5
64.08308	1.1
67.62169	1.2
69.21511	13.3
71.01383	4.3
71.05023	22.2
83.05030	5.3
87.00851	1.3
95.01373	1.6
97.02984	1.4
98.18170	1.2
98.19843	2.8
99.92599	1.8
127.11279	5.9
134.45514	1.2
139.11273	2.4
153.12891	1.8
155.14444	3.3
165.12831	4.7
178.22884	1.3
180.83032	2.4
181.15979	5.0
183.13947	19.7
183.17542	50.4
184.14305	1.5
209.11821	4.0
209.15459	19.2
227.13179	13.7
227.16544	100.0
227.19942	16.7
228.16774	3.6
246.14079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1655
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.31973	0.7
57.03453	11.1
57.75733	0.7
59.01380	1.5
61.14214	0.6
69.03470	0.9
71.05028	28.2
71.07105	1.5
73.06593	1.7
77.72536	0.8
79.91830	0.6
81.03478	0.9
83.05032	1.0
85.06587	1.2
95.05028	2.6
97.02959	2.6
97.06607	1.7
98.03738	1.4
108.05818	0.8
109.06607	3.0
111.04501	2.1
121.06511	0.9
122.03785	1.2
123.08170	5.9
126.06862	1.4
135.08156	1.5
137.06050	0.8
137.09749	1.3
138.06876	32.5
141.09142	1.0
146.68845	0.8
149.09727	2.3
151.07695	0.9
152.08456	1.6
153.09225	76.6
154.09639	2.0
163.11299	1.7
165.12845	18.1
183.13890	11.1
184.92523	0.7
191.14418	2.3
193.25192	0.6
209.11903	5.4
209.15492	7.1
225.15002	6.4
227.12863	3.8
227.16537	100.0
227.20229	2.5
228.16801	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	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03445	1.0
69.03487	0.5
71.09303	0.6
83.05063	0.3
86.38184	0.4
95.01400	0.3
127.07448	0.3
137.02451	0.3
139.11270	0.7
153.09262	0.3
159.48897	0.4
165.12840	1.2
167.14444	1.8
183.08116	0.4
183.13921	6.0
183.17526	1.1
184.00128	0.3
209.11879	1.6
227.12866	2.5
227.16537	100.0
227.20213	3.5
228.16856	3.4
238.84657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1655
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
55.94656	0.3
57.03440	0.3
59.01367	0.4
70.06514	0.3
71.05035	0.3
77.40852	0.3
80.17686	0.3
95.01405	0.3
95.62148	0.3
97.06583	0.7
102.01815	0.3
125.02388	0.3
125.09720	0.3
139.11319	0.6
163.11325	0.4
165.12845	0.8
181.16016	1.2
183.13904	3.9
183.17569	1.1
198.31223	0.3
209.11928	1.6
209.15453	2.7
227.16539	100.0
227.20209	3.3
228.16878	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	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
51.62940	0.7
57.03455	5.6
65.24167	0.8
67.87749	0.9
68.15517	0.8
69.03474	1.2
70.62840	0.7
71.55288	1.0
71.55680	0.8
74.97260	0.7
81.03445	1.1
83.05049	1.2
83.51965	0.8
92.69080	0.8
95.01392	0.9
97.29564	0.8
99.83533	0.9
108.04835	1.0
165.12878	2.6
167.14449	4.9
183.13936	15.6
183.17555	15.3
209.11884	3.6
227.13257	8.4
227.16548	100.0
227.19833	8.4
228.16852	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.17516	0.8
59.01369	0.7
59.29438	0.6
65.67948	0.6
70.23405	0.6
73.93266	0.5
111.08176	0.6
137.02464	0.7
161.00668	0.6
165.12865	2.1
181.74753	0.7
183.13914	100.0
184.14267	2.7
209.11890	3.8
227.12906	74.0
227.16586	3.5
227.20172	3.4
228.13222	2.5
229.84018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03441	1.5
64.32172	0.6
71.05023	0.7
74.23689	0.5
83.05024	1.0
84.58951	0.6
85.02945	0.6
98.19901	2.1
99.04524	0.7
99.23002	0.5
104.36180	0.6
111.08169	2.0
113.09718	1.0
125.09740	0.7
127.11308	0.8
139.11328	0.6
143.01564	0.6
155.14439	0.9
165.12840	2.0
171.10257	1.6
173.08170	0.8
181.15926	0.8
183.13924	12.8
185.11888	1.2
199.13429	1.4
209.11824	4.9
209.15436	1.8
221.86182	0.7
225.14987	1.2
227.02139	0.9
227.12866	7.2
227.16533	100.0
227.20193	5.7
228.16943	2.6
229.63173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
52.32631	0.4
55.75811	0.4
57.03454	0.5
59.01400	0.4
65.57304	0.4
69.73520	2.5
71.01404	0.5
72.99315	100.0
73.99673	0.8
75.00874	2.6
97.02999	0.7
107.59315	0.4
111.00882	0.5
113.06122	0.8
122.03756	0.9
123.08201	0.6
137.02458	0.6
137.06094	0.9
138.06874	1.7
139.07663	2.8
149.06126	0.6
151.07672	4.0
152.04843	0.7
152.08432	4.0
153.09209	1.7
165.09229	4.8
165.12834	0.5
183.13927	2.1
199.95308	0.4
209.08194	2.8
209.11732	0.7
227.09271	34.9
227.16628	0.9
227.20152	2.9
228.09657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03447	0.5
59.01379	0.3
61.70760	0.2
69.03458	0.4
69.22776	1.9
69.23198	0.8
71.05024	8.0
80.02669	2.1
81.03448	1.9
83.01369	0.7
83.05032	8.2
84.02172	3.3
85.06599	0.3
92.34707	0.3
95.05043	0.7
97.06581	0.5
98.19860	0.5
109.06601	0.5
111.08093	0.4
125.06084	0.7
125.09749	0.6
135.08151	1.1
138.91670	0.3
139.11299	0.4
153.12820	0.4
155.14420	0.7
163.11281	5.3
165.12842	4.5
181.12299	1.2
183.13907	7.2
191.10722	1.3
209.11829	100.0
210.12170	3.0
227.12895	6.9
227.20158	0.8
243.41339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.29546	0.9
57.99140	0.8
59.01381	8.9
69.03448	2.6
80.02692	2.0
81.03459	4.5
83.05024	3.6
84.02168	2.5
93.03448	1.5
97.02956	11.4
99.00894	1.7
99.04526	0.9
107.05050	1.2
109.06603	37.9
110.03735	5.4
121.06593	3.0
123.04481	1.0
125.09746	1.0
135.08174	5.2
136.05241	2.2
142.02727	5.9
145.10222	1.1
151.07579	0.9
161.09718	2.5
163.11288	27.6
165.02002	1.8
179.10750	1.6
181.12343	18.3
189.09261	2.0
195.02872	1.4
195.06613	1.1
207.10268	92.9
208.10583	2.5
217.49194	1.1
217.86314	0.9
225.11328	100.0
225.14977	4.3
226.11653	3.4
229.53119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1863
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
51.49433	0.3
59.01380	1.4
60.16417	0.3
61.98823	1.0
65.00328	1.2
75.20015	0.3
81.74762	0.4
83.05029	0.4
85.09710	0.4
89.75697	0.4
92.99805	0.4
93.03477	2.4
96.01517	0.3
109.02933	0.5
126.90549	0.8
136.98819	1.2
137.02440	1.0
165.01985	0.9
178.83363	0.6
195.02983	0.7
206.99307	0.4
207.10513	0.4
209.52882	0.4
210.05350	0.5
224.80312	0.5
224.90489	0.5
225.00417	1.1
225.04039	0.4
225.11385	1.7
225.18617	100.0
226.18950	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	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.7
62.78477	0.9
65.26125	0.9
69.65815	4.4
93.03458	2.9
94.91927	1.1
96.05920	1.0
96.96069	1.1
109.02971	5.6
121.06686	1.0
123.76131	1.0
137.01462	1.9
137.02452	24.5
148.80391	1.0
153.05592	1.8
165.01945	89.7
166.02336	2.2
179.03580	1.9
180.04297	100.0
181.04721	1.6
184.36667	1.0
195.03009	34.0
195.06633	90.3
196.06995	1.5
198.84415	1.2
210.05345	46.0
211.05809	1.3
225.07693	43.8
225.11301	2.7
226.08107	2.4
241.11481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	16.9
59.01363	7.9
71.54709	1.7
73.14933	1.6
78.95898	4.8
80.06819	1.7
82.02991	14.7
93.03434	8.0
96.96016	2.2
109.02944	8.7
115.73800	2.1
121.02924	5.5
123.00839	3.0
123.04516	4.6
126.90365	1.7
137.01479	2.6
137.02448	31.4
138.09224	2.1
149.02386	12.1
151.03946	5.7
152.04788	9.0
153.05545	2.8
163.00316	2.5
163.11310	2.4
165.01959	15.6
167.02434	2.0
167.03500	21.2
167.07124	3.3
177.01877	2.6
178.02684	3.4
180.04218	6.2
181.09900	14.3
181.12402	1.9
182.08203	2.4
184.03714	2.7
189.38280	1.7
192.04233	2.0
193.04950	4.5
195.03003	100.0
195.06621	10.9
196.03246	3.0
207.10208	3.5
210.05353	88.1
225.04121	2.7
225.07607	60.6
225.10832	8.8
226.07741	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03453	1.2
59.01385	8.7
66.03493	0.8
69.03464	8.3
70.86385	1.9
71.01385	2.2
71.05003	1.5
75.25784	0.7
83.05022	0.9
85.02943	1.1
85.06581	1.5
95.05038	1.0
97.06609	1.2
101.02486	1.8
109.02939	1.3
109.06609	2.2
121.02987	1.4
125.09673	1.5
135.11856	0.8
135.24956	0.9
141.09204	1.1
141.32811	0.7
149.09677	1.8
151.04012	1.2
165.01964	1.5
166.06398	2.0
167.10791	10.1
177.12898	1.8
179.10838	5.0
179.14401	10.1
193.01428	3.2
195.13914	28.5
196.14148	1.1
205.12352	20.5
206.12749	1.1
208.03769	4.8
223.02759	6.3
223.06157	3.1
223.13406	100.0
224.13756	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	223.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	60.1
59.01388	7.8
69.03448	4.9
69.20800	14.1
71.01388	9.9
71.05023	1.9
71.74035	1.3
73.02951	13.4
81.03455	3.6
82.43594	1.3
83.05030	6.3
85.02961	5.8
85.06597	3.0
87.00886	1.6
90.54968	1.3
93.03465	11.6
95.01359	1.4
95.05038	1.9
97.06590	1.6
99.04543	3.2
107.05042	1.4
109.02946	6.3
109.06574	2.5
111.04501	4.7
113.02413	1.4
113.06102	35.3
121.02951	5.0
121.06580	3.0
123.08182	6.6
125.06093	5.0
125.09666	2.0
125.31622	1.4
128.16687	1.5
135.04543	2.6
135.08133	8.0
137.06082	6.8
137.09747	29.4
139.07664	5.6
141.09227	1.8
145.10315	1.3
147.08186	4.4
149.02541	1.7
149.06049	2.4
149.09737	3.0
151.07669	7.6
151.11353	7.9
153.09225	48.7
161.09715	4.3
163.11313	16.9
164.04730	1.7
165.01883	2.2
165.09218	33.6
172.05348	2.1
173.04568	3.7
173.05981	2.3
175.07660	9.7
175.11227	1.8
177.12907	2.5
178.10107	1.9
179.03529	2.3
179.07018	1.5
179.10783	3.9
181.12454	1.5
185.09729	1.4
187.07693	16.8
187.11290	24.0
189.09239	1.8
190.09991	2.8
193.01408	6.7
193.12306	8.8
195.13950	2.9
201.05621	2.9
202.06328	2.9
205.12343	47.5
208.03828	8.2
208.11107	13.4
221.02898	1.6
223.02538	1.9
223.06154	4.1
223.13403	100.0
224.13843	1.5
231.10356	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58183	0.3
59.01382	1.8
63.62963	0.3
65.00317	0.5
69.03467	0.4
71.01367	0.6
71.55572	0.3
73.02985	0.5
81.03426	0.5
85.02944	1.7
87.00873	0.7
91.01889	1.8
93.03465	9.6
94.03741	0.3
95.01366	0.5
101.02441	0.9
105.03450	0.4
107.01401	0.6
108.02142	1.8
108.95804	0.4
109.02957	100.0
110.03265	1.8
111.00899	0.7
121.02960	10.1
122.77900	0.4
123.00862	0.3
123.04543	0.4
125.02438	0.4
126.50092	0.3
135.00935	0.4
135.04536	21.1
135.08127	0.4
136.01642	0.6
136.04872	0.5
137.02469	2.1
147.04607	0.4
149.02452	26.1
150.02802	0.4
151.00430	0.4
151.03986	1.3
152.01158	7.4
153.01955	2.5
163.04021	7.0
164.04799	14.3
165.01927	5.6
167.03539	1.6
169.05074	3.6
179.03510	35.5
179.07080	7.0
180.03983	0.8
193.01419	30.2
194.01775	0.9
195.02942	0.8
205.03543	0.5
208.03775	45.1
209.04135	1.1
223.02676	6.0
223.06119	24.8
223.09695	0.9
223.13275	0.9
224.06343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.8
57.03454	20.3
58.00603	1.4
59.01389	11.4
69.29136	10.8
69.29465	2.7
71.01390	15.2
72.99312	5.1
73.02940	2.3
75.00873	5.1
78.71709	1.2
82.68899	1.3
83.01394	11.2
84.02168	3.0
85.02959	100.0
87.00877	3.6
87.83783	1.1
98.20672	2.6
101.02460	14.3
103.00395	1.9
103.03982	1.3
111.00892	48.4
129.01955	26.2
135.52408	1.2
147.02962	5.9
161.04599	3.1
187.02473	2.3
205.01643	2.5
205.03552	43.8
223.04590	36.1
239.60661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53915	0.6
52.14873	0.6
59.01384	3.1
65.00345	1.3
67.01897	1.3
69.84260	3.2
71.01383	1.1
75.02484	0.6
85.02943	1.4
87.00861	0.7
91.01900	2.5
93.03465	13.7
107.01440	0.7
108.02173	1.7
109.02960	100.0
110.03310	1.6
119.05013	0.7
121.02963	19.4
134.03687	0.8
135.00977	0.6
135.04536	25.5
135.08133	1.0
137.02460	5.4
147.04414	0.8
148.01695	1.3
149.02448	44.4
151.04008	2.6
151.99989	1.0
152.01169	16.4
153.01926	2.9
163.04028	16.4
164.04799	26.3
165.01935	11.8
165.05045	1.0
167.03497	2.1
169.05080	6.0
179.03523	33.2
179.07080	10.7
180.04065	2.0
193.01433	58.6
193.05063	2.4
194.01804	1.8
195.02983	0.8
205.03587	0.8
207.02982	0.7
208.03780	75.4
209.04109	2.4
223.02831	6.1
223.06134	42.8
223.09714	1.6
224.06451	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31584	1.0
55.01869	4.2
57.03199	1.6
57.03451	18.1
59.01385	10.9
68.99813	2.1
69.64690	3.3
69.65121	2.9
71.01392	12.7
72.99316	5.5
73.02950	2.8
75.00876	4.2
83.01400	11.3
84.02164	3.0
85.02957	100.0
87.00865	3.9
88.01644	1.2
95.28468	1.1
101.02448	11.5
103.04015	1.9
111.00887	46.3
125.02412	1.0
129.01955	29.8
143.03479	1.3
147.02968	6.0
157.55115	0.9
161.04541	2.5
183.49097	1.0
187.02527	2.8
205.03534	40.6
214.79007	1.1
223.04599	38.4
224.04892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1392
Annotation	Glutinosone
Peak:m/z	Relative Intensity
52.61285	0.4
54.68600	0.4
57.03445	1.0
59.01379	1.5
61.01809	0.5
61.98842	1.6
71.01451	0.4
71.04395	1.1
83.05035	1.2
84.67529	0.4
86.93721	0.4
93.03471	0.7
93.07113	0.6
101.06099	1.4
102.06417	0.5
108.02221	0.5
109.02987	0.9
111.04540	4.8
119.08637	0.5
121.06602	0.9
125.06100	2.2
135.04555	0.9
135.08157	1.0
137.02539	0.5
137.09747	0.8
147.08174	0.7
148.05309	2.2
149.06111	0.9
157.06468	0.4
161.02478	0.8
161.09729	3.6
163.07684	3.6
166.06317	0.6
170.05838	0.7
173.04550	0.6
173.05959	0.6
173.20213	0.4
175.04031	1.0
175.07713	1.4
175.11333	0.8
176.01161	0.5
177.01965	0.5
177.12888	1.1
185.09685	0.6
186.10571	1.1
188.08427	1.1
189.09259	4.7
189.12909	2.1
201.12891	11.1
202.99933	0.5
203.10791	11.1
204.00650	0.4
204.04306	0.7
204.07936	1.3
204.11583	31.8
205.11983	1.0
219.03102	4.3
219.06686	1.7
219.13936	100.0
219.17285	17.8
220.14221	3.7
220.17902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
51.06806	0.2
59.01385	0.9
63.69498	0.2
77.58063	0.2
81.31161	0.2
88.67074	0.2
98.20647	0.3
103.15888	0.2
103.65540	0.1
127.07659	0.8
139.97476	0.2
148.05348	0.4
149.06053	0.6
151.07657	0.3
164.08435	2.0
165.09253	0.3
205.12331	1.5
206.12862	0.9
207.13847	1.0
220.14706	4.2
221.15472	100.0
222.15851	3.6
235.13350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
70.88795	0.6
70.89139	0.4
87.00860	0.5
91.01900	1.8
93.03468	2.6
108.02185	1.8
109.02962	100.0
110.03291	1.6
112.18170	0.2
121.02999	0.7
135.04538	16.4
136.04883	0.4
137.02475	0.8
149.02507	1.3
152.01141	0.5
153.01976	2.6
162.03935	0.3
163.04037	0.4
164.04776	0.8
165.01955	0.8
168.34030	0.3
179.03510	31.3
180.03827	0.8
193.01385	2.1
208.03780	2.1
223.02512	4.6
223.05991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
55.66026	1.6
57.03452	19.0
57.48238	1.8
59.01378	7.1
61.76944	1.5
70.05413	3.9
70.05810	4.5
71.01376	14.2
72.99306	4.3
73.02952	3.4
75.00873	6.2
77.66878	1.5
78.95903	3.5
83.01395	12.1
85.02957	100.0
87.00882	4.6
101.02452	11.3
111.00888	45.8
112.01178	1.7
112.66584	1.5
124.72748	1.9
129.00992	1.8
129.01952	32.2
140.96059	1.7
147.03021	6.7
161.04596	2.9
163.74785	1.7
173.50661	1.9
187.02567	2.6
205.03539	39.8
223.04588	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.11422	0.5
53.19865	0.5
59.01384	3.7
60.01720	0.9
71.01388	11.3
71.05025	17.1
71.10150	0.9
72.00886	0.5
88.04048	100.0
90.33171	0.5
98.06133	0.5
99.04526	5.7
116.03519	0.6
116.07172	2.6
120.32875	0.4
124.42179	0.5
127.09924	0.4
129.05632	1.1
146.08241	49.9
147.08548	0.8
166.63136	0.4
218.00757	0.7
218.10347	24.4
219.17548	1.0
221.67230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59324	1.1
55.01881	1.5
57.03455	15.4
57.22580	1.2
59.01382	10.4
65.03990	1.1
67.01891	1.2
69.03459	4.1
69.85460	4.5
69.85878	2.4
71.01400	6.0
72.99327	1.8
73.02953	1.5
75.00900	1.5
78.95911	1.6
80.96306	1.4
81.03464	4.1
83.01397	3.6
83.05046	1.5
85.02961	30.3
87.00883	18.6
87.02735	1.4
87.04527	12.3
89.07211	1.2
93.03455	3.4
95.05033	1.1
97.02970	8.1
98.20563	1.8
98.95628	1.6
99.00885	1.9
99.04520	2.2
101.02434	2.6
109.02934	1.8
111.00887	1.7
113.02454	2.9
115.04045	1.4
125.02455	4.8
129.01953	100.0
129.05617	1.5
130.02271	1.9
131.03528	8.5
139.04018	8.3
141.01953	3.4
148.90088	1.3
159.03004	3.6
173.04553	2.0
187.02408	1.3
191.05592	1.5
201.03928	1.6
219.03137	1.5
219.05084	31.1
219.17561	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	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60370	1.1
57.03458	17.5
57.58782	1.1
59.01390	11.0
69.03454	4.1
69.62836	7.0
70.84117	1.1
71.01389	8.2
71.05043	1.2
72.99338	1.3
73.02945	1.5
75.36314	1.1
78.95907	2.6
81.03465	1.4
83.01411	3.0
83.05051	3.6
85.02961	35.9
87.00885	12.4
87.04527	8.4
93.03470	3.5
96.96024	1.4
97.02962	4.3
98.02516	1.2
98.95618	1.7
101.02456	2.7
109.02956	2.2
111.00863	2.1
111.04562	2.4
113.02434	1.7
115.03980	2.3
119.32136	1.0
123.75325	1.1
125.02463	3.0
129.01964	100.0
130.02252	2.3
131.03526	6.1
134.93394	1.1
139.04031	5.3
139.41345	1.2
141.01968	3.0
148.90085	2.6
151.27866	1.1
157.05177	1.2
159.02995	2.2
166.91457	1.2
167.32648	1.2
173.04588	3.5
187.02383	1.9
191.05722	2.0
201.04128	1.4
219.03111	1.8
219.05121	20.0
219.06990	2.3
219.17593	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	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03442	1.3
57.20621	0.5
64.83578	0.5
66.45018	0.4
66.70651	0.4
69.03452	0.5
69.20239	3.2
69.20652	1.4
69.55781	0.5
71.01376	0.5
74.01740	0.5
82.24072	0.4
119.62817	0.5
125.09715	1.1
144.00967	2.7
151.11278	1.2
153.12866	51.5
154.13197	1.4
171.13928	1.1
172.05302	0.6
197.11844	61.9
198.12207	1.8
200.04843	4.1
213.98297	0.4
215.01024	17.7
215.03368	1.0
215.07176	14.0
215.12888	100.0
216.01385	0.6
216.13283	3.2
232.03746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1289
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.41340	0.6
59.01387	1.1
63.45683	0.7
69.03455	1.2
69.88754	2.9
71.01374	1.9
75.33473	0.7
83.05047	0.9
88.65706	0.8
89.02475	1.4
90.34984	0.8
97.02931	0.9
98.00092	1.4
101.02464	0.9
120.60853	0.7
144.00932	9.5
153.12859	3.6
171.02031	1.0
171.13924	100.0
172.00439	1.0
172.14268	2.3
197.11848	9.0
215.01004	66.0
215.07172	2.6
215.12881	59.0
215.16322	1.5
216.01332	1.7
216.13228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1654
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
55.52908	0.3
69.18604	3.7
71.01374	0.5
73.02950	0.6
73.43719	0.3
80.02591	0.4
98.20682	0.8
118.34832	0.4
125.09677	0.7
144.00970	2.4
169.15977	4.6
177.47787	0.4
197.15414	2.3
213.14957	0.8
215.01009	14.2
215.07172	0.9
215.16527	100.0
216.01265	0.5
216.16801	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	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
59.01373	2.9
60.99306	0.8
67.01897	4.0
69.03445	1.3
69.93768	1.9
71.01384	6.3
72.99296	1.0
73.02972	0.8
74.50239	0.7
78.95899	0.8
81.03461	3.0
83.01393	1.0
83.05025	3.7
85.02959	1.2
87.00342	1.1
87.00879	17.4
88.01229	0.6
93.03468	33.1
94.03827	0.8
99.00899	2.9
99.04562	0.6
101.02454	1.0
106.37160	0.6
109.02987	1.7
111.00888	2.6
111.04525	11.9
111.05240	1.0
115.04014	0.7
127.04006	3.6
129.01971	1.1
129.05595	1.2
137.02402	1.2
145.05038	0.6
146.06482	0.6
147.48062	0.6
155.03503	6.8
171.46797	0.6
173.04558	100.0
174.04930	2.4
181.75894	0.6
199.02602	1.2
217.03537	27.2
218.03969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
57.40621	0.5
59.01385	6.1
60.39996	0.5
60.99311	0.9
67.01900	5.4
69.03462	1.7
69.88555	1.2
69.88967	1.9
71.01391	8.5
71.05014	0.7
72.99310	0.8
73.02971	0.6
81.03448	3.3
83.01396	1.9
83.05032	4.1
85.02950	2.4
87.00885	28.5
93.03468	36.5
94.03807	0.8
96.96025	1.1
96.97001	0.6
97.02957	1.4
98.02487	1.6
98.06147	0.6
99.00893	4.1
99.04552	0.7
101.02457	0.7
101.07198	0.5
108.40816	0.5
109.02966	2.1
111.00912	1.4
111.04536	12.5
113.02509	0.8
114.05673	0.5
125.14268	0.5
127.04013	2.8
129.01968	1.3
129.05579	1.3
130.05103	0.9
137.02437	1.1
141.63147	0.5
142.94463	0.5
155.03522	8.0
173.04565	100.0
174.04906	2.1
174.07759	1.1
174.99303	0.6
187.10858	0.7
199.02533	0.6
216.90674	0.8
217.03545	34.0
218.06688	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	211.1342
Annotation	(-)-Dihydrojasmonic acid
Peak:m/z	Relative Intensity
55.01878	2.5
65.99847	0.4
69.03462	2.9
69.94774	1.3
71.05028	12.9
71.64641	0.3
72.05344	0.4
76.25344	0.4
77.00834	0.5
80.02712	0.7
80.23760	0.3
81.03481	0.7
83.05032	1.3
92.98358	0.4
95.05087	0.5
97.06620	0.9
109.06587	0.4
111.08177	0.4
137.09683	0.4
139.11307	0.6
164.65567	0.3
165.12862	3.5
167.14424	100.0
168.14812	2.9
211.13423	8.2
218.29524	0.4
234.32060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1705
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
59.01374	0.8
61.82859	0.3
61.98827	0.7
65.06623	0.3
69.13998	0.3
72.76743	0.3
95.01394	0.9
109.06555	0.3
121.02967	0.4
123.00874	0.6
125.02459	0.3
125.04373	0.4
129.01958	0.4
129.86382	0.3
154.06404	0.5
159.70328	0.3
166.91043	0.7
167.14467	0.8
174.91371	0.3
193.15953	0.4
211.02219	0.4
211.17049	100.0
212.17401	2.5
225.61205	0.4
229.42603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	NFX-4
Peak:m/z	Relative Intensity
55.01890	0.5
57.03456	0.6
59.01385	0.8
61.98848	0.5
63.53152	0.5
71.05029	31.9
71.39440	0.7
72.05318	0.5
74.21989	0.5
81.03487	0.9
83.05044	5.7
97.02953	0.9
139.11314	0.6
141.12885	5.7
154.90678	0.5
167.14427	6.6
168.91101	0.8
169.15991	69.1
170.16394	1.3
177.90268	1.0
195.13921	19.9
197.99165	2.5
213.01572	0.9
213.14975	100.0
214.15366	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03453	1.1
59.01370	0.4
61.64706	0.3
63.63846	0.3
69.03458	0.6
73.76234	0.3
97.02969	0.3
99.00910	0.3
106.05401	0.2
116.91142	0.3
153.12874	1.2
169.12360	1.1
169.15982	1.2
177.90343	0.3
181.12199	0.3
195.13956	0.3
197.99252	0.7
203.49661	0.3
206.98520	0.3
213.14981	100.0
213.83730	0.3
214.15312	3.1
229.08508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Danielone
Peak:m/z	Relative Intensity
59.01397	5.0
59.01630	1.0
61.58222	1.0
61.98848	1.0
69.38514	8.7
78.95905	8.6
95.01393	2.8
100.61855	1.0
103.92032	3.6
104.05064	1.3
105.05437	2.4
107.05057	2.8
108.02178	7.2
109.02960	15.8
120.02180	12.0
121.02960	1.4
121.09788	1.1
123.00893	2.4
123.04525	5.6
134.03661	1.5
135.04555	2.6
136.01688	5.0
136.90039	1.4
138.03185	2.6
148.01675	84.0
149.02086	1.9
149.04402	5.0
151.03961	2.0
153.05591	81.0
154.05887	1.1
163.04027	87.2
164.04390	1.6
165.01929	3.9
166.02740	9.1
166.91060	14.9
167.05409	8.3
167.10724	1.1
179.03455	3.0
181.05080	100.0
182.05344	2.8
193.05019	1.3
196.03842	9.5
210.89975	1.8
211.04482	1.9
211.06140	31.5
211.09395	1.3
211.13412	4.1
211.26332	1.2
212.06473	1.6
228.93507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
55.61102	0.2
59.01380	0.4
63.02405	3.8
65.00331	20.1
71.51530	0.3
71.56886	0.5
83.01396	9.5
83.01898	0.5
95.01378	0.3
97.02965	0.3
99.00896	0.4
107.01402	26.7
108.01717	0.5
108.99281	0.4
123.00881	0.3
123.04515	0.4
124.01744	0.3
139.04076	0.4
148.01622	0.4
149.02409	0.4
151.00383	100.0
152.00713	2.0
153.05609	0.4
163.04025	0.4
163.58575	0.3
164.98369	0.3
167.06117	0.5
169.01404	1.7
178.99873	5.2
181.01476	0.8
181.05099	0.4
183.03000	0.7
196.03990	0.5
199.72075	0.2
211.02501	17.4
211.04893	0.9
211.07915	0.4
211.09824	0.7
211.13457	1.5
211.15141	0.3
212.02875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54115	0.5
55.01881	4.0
57.03454	31.4
58.00596	2.1
59.01386	23.9
67.01884	0.8
67.39999	0.6
68.99815	1.8
69.03445	1.4
69.68463	3.9
71.01385	12.4
72.99307	1.9
73.02942	3.9
83.01389	6.6
84.02172	7.9
85.02959	87.9
86.00111	1.2
86.03288	0.9
87.00885	32.0
87.04517	1.8
89.02446	5.5
89.45101	0.7
97.02961	2.7
98.20651	0.8
99.00882	6.1
101.02457	2.9
111.00903	7.6
115.04025	1.4
129.01962	53.2
141.01974	6.2
159.03008	13.9
209.06680	100.0
210.07040	3.6
228.02402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
50.24240	1.2
53.00318	1.3
55.01880	3.3
57.03453	24.5
59.01386	21.9
67.34661	1.2
69.03458	1.9
69.80492	5.8
69.80859	2.2
70.86797	1.2
71.01382	10.0
72.99335	1.9
73.02956	3.9
83.01406	6.7
84.02190	6.8
85.02957	72.8
87.00886	26.0
87.04517	1.3
89.02438	5.5
97.02943	2.9
98.20552	2.2
99.00903	6.6
101.02467	2.9
111.00851	8.0
115.04012	1.2
129.01961	44.7
141.01982	4.0
157.97353	1.2
159.02992	14.9
209.06699	100.0
210.07129	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	209.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59327	1.4
54.26862	1.3
55.01888	3.8
57.03452	30.0
58.00596	1.8
59.01385	23.1
68.99808	1.7
69.80623	7.8
71.01392	11.9
72.99309	1.6
73.02950	3.6
73.40507	1.5
76.97615	1.4
83.01399	5.8
84.02180	7.4
85.02961	88.0
87.00884	33.8
87.04520	2.4
89.02444	6.3
95.34423	1.5
97.02960	4.3
99.00895	5.1
101.02454	4.0
106.64996	1.6
109.80915	1.4
111.00898	7.8
129.01959	53.0
141.01982	5.1
159.02991	12.7
209.06685	100.0
210.07040	1.8
213.39677	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	207.0511
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01880	0.5
57.03457	0.9
59.01387	2.5
69.03434	0.5
70.20371	0.9
71.01388	3.1
72.99312	4.0
73.02948	1.8
81.03470	2.1
83.05039	1.0
85.02956	11.7
87.00882	2.8
95.01414	0.5
97.02955	1.0
99.00893	5.9
99.04516	1.8
101.02444	4.6
108.02171	1.5
109.02962	8.3
117.01947	2.4
122.97573	0.4
125.02449	0.6
125.52836	0.5
127.04018	4.8
129.01949	9.1
132.43303	0.4
143.03471	0.7
147.02977	1.4
174.33778	0.4
181.02426	0.4
189.04063	0.9
207.05106	100.0
208.05280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03457	0.9
59.01387	2.5
69.03434	0.5
70.20371	0.9
71.01388	3.1
72.99312	4.0
73.02948	1.8
81.03470	2.1
83.05039	1.0
85.02956	11.7
87.00882	2.8
95.01414	0.5
97.02955	1.0
99.00893	5.9
99.04516	1.8
101.02444	4.6
108.02171	1.5
109.02962	8.3
117.01947	2.4
122.97573	0.4
125.02449	0.6
125.52836	0.5
127.04018	4.8
129.01949	9.1
132.43303	0.4
143.03471	0.7
147.02977	1.4
174.33778	0.4
181.02426	0.4
189.04063	0.9
207.05106	100.0
208.05280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0512
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01873	0.5
57.03457	0.5
57.81091	0.3
59.01395	2.4
65.31738	0.3
67.01878	0.3
69.03465	0.4
71.01389	3.1
71.51657	0.4
72.99316	4.1
73.02965	2.5
81.03465	1.7
83.01392	0.6
83.05033	1.4
85.02957	11.8
87.00881	3.6
88.96313	0.3
95.01392	0.8
97.02979	0.8
99.00888	5.3
99.04510	1.8
101.02456	5.1
107.55693	0.3
108.02188	1.0
109.02967	8.7
117.01950	1.9
123.00935	0.3
125.02436	1.6
127.04028	4.8
128.41382	0.2
129.01958	11.3
135.04504	0.9
136.23619	0.3
143.03531	0.7
145.05112	0.3
147.03000	1.3
149.02437	0.5
163.04001	0.4
170.88293	0.4
177.01944	2.8
184.80185	0.3
189.04030	1.0
192.00760	0.4
192.04265	2.9
201.80603	0.3
207.05110	100.0
208.05450	2.4
219.92322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	0.4
59.01386	19.6
60.01720	8.8
61.01812	2.0
61.98836	100.0
62.02151	0.3
65.60088	0.2
69.23984	1.1
71.66602	0.1
82.76315	0.1
83.05054	0.3
83.41213	0.2
85.01859	0.2
94.44611	0.2
96.51932	0.2
98.19915	0.3
126.09264	1.3
129.00648	0.2
141.56107	0.2
143.86534	1.2
159.03322	0.3
160.03691	0.7
161.01216	0.3
161.87608	0.4
161.89383	0.2
161.98953	0.2
162.01729	0.4
188.59398	0.2
203.99998	0.7
204.02696	3.4
204.12401	1.6
205.05170	0.2
205.15988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34363	1.2
52.17262	1.2
58.02982	84.8
59.01372	1.4
69.46559	8.8
69.46886	1.8
70.02995	11.9
72.00903	4.7
81.53016	1.1
82.99070	1.3
91.05538	11.2
92.73073	1.4
95.72894	1.1
98.19945	2.2
103.05542	1.7
130.32845	1.1
147.04538	34.0
164.07184	100.0
165.07553	2.6
168.78278	1.1
177.01950	3.3
192.04286	2.3
206.08243	48.6
206.12575	3.6
207.05113	3.2
228.49545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.25307	0.6
58.02980	32.7
69.43743	5.6
70.02984	12.7
72.00916	5.2
91.05545	11.1
98.20696	1.6
99.04816	0.7
103.05534	1.1
107.57204	0.6
120.04996	0.7
135.04594	1.0
144.64853	0.7
147.04539	36.5
148.04874	0.8
159.22278	0.7
162.09267	1.4
164.07178	100.0
165.07529	2.2
202.79340	0.7
206.08234	35.8
207.04997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87799	0.6
57.03448	0.8
59.01374	0.9
69.03461	6.1
69.62579	4.3
69.62969	1.0
70.02977	1.2
71.01387	5.7
72.04539	1.3
72.99311	1.0
74.02478	54.0
79.01900	1.8
81.02207	2.5
82.02986	8.4
83.01383	2.2
84.00914	6.3
84.04578	2.3
85.02973	2.2
86.06122	8.7
87.00898	1.1
94.03017	1.0
96.00951	0.8
96.04559	24.9
97.02948	8.0
97.08952	0.7
98.02479	13.0
98.20708	0.8
99.00909	0.9
108.04581	0.9
108.27057	0.7
110.02486	7.5
112.04053	14.0
112.07713	1.1
114.05618	1.8
115.00408	0.8
126.05586	2.1
128.07199	1.7
140.03554	19.3
140.07137	0.7
141.01924	1.4
143.16866	0.7
156.03052	100.0
156.06604	3.7
157.03374	2.3
158.04565	2.3
158.08215	4.4
184.00871	1.7
184.02527	31.3
195.48814	0.8
202.03569	7.1
202.05183	0.9
202.07201	5.4
203.02019	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	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02377	1.5
54.97107	1.0
55.01894	1.4
57.03442	6.3
59.01385	6.9
60.99304	1.8
67.01868	1.0
69.03462	73.2
69.67529	6.4
71.01387	52.6
72.99306	9.9
73.02958	1.9
74.02481	1.9
75.00875	5.2
79.01894	21.1
83.01399	3.4
83.72789	1.1
85.02957	12.3
87.00891	13.9
90.14496	1.0
95.01395	8.0
97.02958	100.0
97.06586	2.6
98.20604	2.2
99.00903	2.2
101.02451	1.3
103.92007	1.8
104.97804	1.0
111.00895	3.8
113.02441	5.5
115.00379	10.4
117.15823	1.1
123.00937	4.9
125.02424	1.0
129.01936	8.5
141.01961	24.4
141.03691	1.2
141.05591	6.0
143.03575	1.5
157.03337	5.7
159.02997	2.2
159.06674	2.5
160.89336	2.3
185.02734	1.6
185.04539	2.3
203.01993	99.8
203.05589	4.5
204.02261	1.8
220.21956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.5
55.01880	2.3
57.03445	3.3
59.01384	1.8
59.10017	0.6
60.99298	1.5
67.01896	1.7
68.99809	0.8
69.03461	75.9
69.60372	1.4
69.60785	3.1
70.03828	0.8
71.01386	53.6
71.05034	0.6
72.99316	7.8
73.02936	0.8
74.02482	2.5
75.00872	5.0
75.02795	0.6
79.01898	23.1
82.02968	0.8
83.01384	2.3
83.61555	0.6
85.02956	9.1
87.00887	13.4
93.31222	0.6
95.01395	7.0
95.70124	0.6
97.02958	100.0
97.06593	0.7
98.03300	1.4
99.00889	2.6
111.00891	4.8
113.02499	3.2
115.00390	9.0
115.04034	0.9
123.00905	4.9
129.01952	5.6
141.01950	25.1
141.05574	0.9
157.03387	4.2
159.03040	2.4
185.01025	1.5
185.02831	1.6
203.01985	95.6
204.02310	2.4
205.56929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.73480	0.4
59.01382	5.3
61.75196	0.4
71.01405	0.4
71.31858	0.7
74.74475	0.4
96.42348	0.4
98.00098	1.4
139.11304	3.3
149.63625	0.4
151.52095	0.4
157.12347	100.0
158.12680	2.1
159.01544	0.5
173.06097	0.7
183.10269	9.3
196.43221	0.4
201.05585	0.9
201.11331	43.1
202.11719	0.9
222.14929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.54501	1.1
55.01871	5.0
57.03205	1.9
57.03457	23.9
58.00593	2.8
59.01387	16.4
62.32630	1.1
68.73670	1.0
69.03453	7.3
69.76254	2.5
69.76654	4.5
71.01375	3.5
71.04642	2.3
71.05029	40.8
73.02942	2.6
83.05057	1.4
85.02959	12.4
87.04527	47.3
88.04856	1.2
93.18123	1.2
101.02448	3.9
111.08134	2.2
113.02459	14.9
113.23484	1.3
121.10243	10.9
125.09755	2.5
127.11326	2.4
131.03516	15.1
137.09686	1.8
139.07645	1.9
139.11311	38.9
140.11694	1.5
155.10820	1.9
165.09212	12.6
173.06027	1.7
183.10277	100.0
184.10635	2.6
199.09830	1.7
201.02121	1.8
201.05618	1.8
201.11334	61.6
201.58217	1.3
202.11678	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.82891	0.3
57.03455	7.0
59.01385	5.5
64.08248	0.3
69.03462	0.8
69.41298	2.3
71.01363	0.3
71.05018	0.7
83.05040	0.7
97.06623	0.5
98.20679	0.6
99.92664	0.3
111.08165	5.0
123.08086	0.4
123.34712	0.4
137.09756	2.4
139.11304	100.0
140.11655	2.2
157.12375	2.0
167.99422	0.3
183.10277	45.5
184.10577	1.0
201.11336	89.2
202.11714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
58.14376	0.4
59.01383	14.4
69.03455	0.9
69.42613	3.2
69.42950	0.8
87.04527	0.6
97.10332	0.4
121.52518	0.4
125.09747	1.1
139.11298	1.2
145.06570	0.5
155.14429	6.4
157.03587	1.0
157.05057	0.5
157.06438	0.4
158.89291	0.7
159.07971	0.4
173.06110	0.7
183.13913	2.4
199.13394	1.2
201.02458	1.2
201.05653	0.9
201.11287	4.2
201.14989	100.0
202.15388	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64698	1.0
52.64795	0.9
57.03439	1.9
59.01379	2.2
61.52751	1.0
61.98829	3.6
62.66288	1.0
65.44968	0.9
67.01889	1.9
68.20959	1.0
69.03465	1.4
71.05023	38.6
71.26361	1.2
83.01395	1.4
83.05045	5.9
92.99815	2.0
93.78613	1.2
97.02956	2.6
99.00885	3.8
99.04456	1.0
99.08151	2.0
104.07088	1.1
111.00883	3.1
125.09695	2.3
127.00378	2.5
127.04076	1.5
127.11308	5.2
137.09760	1.3
153.12822	7.1
155.10797	4.1
155.14432	77.2
156.14769	1.8
156.89539	2.8
174.78551	1.0
181.12343	24.4
198.90817	2.1
199.04129	1.7
199.06120	2.1
199.13402	100.0
199.17020	8.7
200.13712	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01734	0.8
70.58344	0.9
78.54821	0.3
142.56108	0.3
157.03583	5.3
158.03845	0.4
159.01535	1.7
201.02562	12.8
202.02608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03442	1.2
59.01377	0.7
62.04573	0.4
69.03458	0.6
69.26563	3.8
92.98598	0.4
99.00897	0.9
99.08183	0.7
101.56784	0.4
111.00885	0.5
111.08136	0.6
137.06120	0.5
139.11307	2.0
153.12814	0.7
155.10759	1.0
155.14505	1.9
162.83929	5.9
163.83934	1.0
164.83614	5.4
199.13403	100.0
199.80487	4.2
200.13727	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.94505	0.5
59.01373	1.5
61.98807	0.7
69.03455	2.1
69.47851	1.6
69.48274	1.9
71.01380	1.6
75.52644	0.5
79.03748	0.5
83.05061	1.2
87.38788	0.5
95.01383	1.3
97.02953	0.9
97.06609	0.5
98.19908	1.1
99.85919	0.5
103.97662	0.6
109.03004	0.9
116.92883	1.1
121.03011	0.5
123.00902	3.6
123.04516	0.5
123.99267	0.5
125.02471	0.7
125.09737	0.9
126.90543	1.0
138.03229	1.0
141.09218	1.3
151.11227	0.9
153.05602	0.9
153.09225	1.4
153.12903	5.5
160.84227	4.7
161.84305	0.7
162.83928	11.9
166.99884	3.0
169.12347	17.6
179.10762	1.6
182.02217	4.3
197.04567	1.7
197.11841	100.0
197.80788	6.0
198.12137	2.2
207.65260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03460	9.3
59.01376	2.0
61.98829	4.7
67.01891	2.0
69.03466	2.8
71.05024	11.8
83.01386	1.9
83.05029	4.1
85.02952	1.2
95.57789	1.0
97.02965	1.5
98.03336	1.2
99.00874	2.1
111.00906	3.4
111.04585	1.0
111.08193	1.5
113.02441	2.1
113.09782	1.2
127.00384	1.8
127.11315	7.5
137.09703	1.7
139.11325	2.3
153.12859	18.1
155.10799	3.7
155.14424	28.6
156.14725	1.2
156.89488	3.1
181.12363	12.4
199.06168	1.8
199.13417	100.0
199.16959	6.2
200.13750	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.37835	0.4
55.01881	2.3
57.03450	0.6
59.01387	0.7
67.32338	0.5
69.03467	4.2
70.00285	1.6
71.01406	0.5
71.05027	16.7
77.32192	0.4
80.02676	0.5
81.03470	1.5
83.05053	1.5
95.05051	0.5
97.02969	0.6
97.06583	0.5
108.83036	0.5
109.02942	0.5
116.92876	1.5
120.09872	0.4
121.02958	1.3
123.00917	3.4
123.08147	0.6
125.02489	0.6
125.09733	1.1
126.90469	0.7
138.03226	0.5
144.11154	0.4
151.11281	3.7
153.12860	100.0
154.13203	2.2
160.84200	0.7
160.91045	0.5
162.83974	1.1
166.99873	1.6
179.29100	0.4
182.02251	3.3
197.04582	1.2
197.08215	1.1
197.11824	7.1
197.15511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72948	1.5
76.07090	0.3
108.02187	1.7
122.03758	8.0
122.04653	0.5
123.04535	1.7
129.13716	0.3
137.02496	0.5
150.03242	100.0
151.03571	2.0
152.91808	1.2
153.01917	0.5
160.84219	1.5
165.01889	0.9
165.05588	55.1
166.05875	1.5
180.04295	17.6
181.04645	0.3
194.92796	0.4
195.04852	0.7
195.06630	12.7
195.81129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01099	0.4
59.01383	3.3
67.01880	1.2
69.03455	0.7
69.59849	1.6
69.60254	0.6
71.01381	1.9
72.99303	0.3
73.02959	0.8
73.31052	0.3
76.54609	0.3
79.76604	0.3
81.03455	0.8
83.05029	1.0
85.02960	24.1
86.03294	0.4
87.00885	8.4
93.03471	6.3
99.04521	1.0
106.83864	0.3
109.02983	1.8
111.00174	0.5
111.00893	7.5
111.04531	1.7
127.04025	5.1
129.01979	0.7
171.03046	1.2
173.04555	1.8
187.97954	0.3
189.54172	0.3
191.05626	100.0
192.05930	2.4
204.08510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
58.74457	0.3
59.01379	0.7
65.03951	0.4
67.01881	2.0
69.49303	2.5
71.01366	0.4
75.00879	1.6
78.95912	10.2
79.01939	0.3
80.96521	0.6
96.96053	0.7
96.96966	8.3
105.01975	0.6
107.05035	1.4
108.04517	0.4
108.73460	0.3
109.02950	3.7
121.02973	0.9
123.04466	0.5
125.02473	0.5
129.01999	0.5
136.01599	0.5
137.02455	36.3
138.02785	0.5
150.03233	1.5
151.04016	1.4
152.07188	0.5
152.91762	4.5
157.78734	0.4
158.92632	0.4
160.84233	1.2
163.05110	0.4
165.01939	100.0
166.02238	2.2
167.90468	1.3
176.93578	0.4
177.01913	2.4
179.03477	0.8
180.04292	40.4
181.04678	1.0
194.92624	2.0
195.03017	0.9
195.05037	0.8
195.06624	7.2
195.81017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.15614	0.2
57.03449	0.5
59.01372	2.7
62.35620	0.2
67.01892	0.7
69.03460	0.6
71.01395	1.9
73.02958	0.8
81.03454	0.9
83.05037	0.8
85.02958	21.4
87.00889	4.1
93.03467	6.9
95.01394	0.3
97.02948	0.3
97.08025	0.3
98.20676	0.6
99.04503	0.8
101.02470	0.3
109.02941	1.4
111.00887	0.9
111.04538	2.2
127.04024	4.4
127.69936	0.2
137.02406	0.3
142.35652	0.3
155.03519	0.3
171.02982	1.3
173.04565	1.6
191.05624	100.0
192.05972	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01388	3.8
66.09967	0.4
67.01890	1.6
69.03461	0.9
71.01394	2.0
71.53190	0.6
73.02950	1.1
78.91661	0.4
81.03464	1.4
83.05026	1.1
85.02956	29.1
87.00883	14.2
88.01217	0.4
91.29352	0.4
93.03459	7.3
99.04535	1.2
101.02428	0.4
101.36962	0.5
103.48241	0.3
109.02964	1.6
111.00889	20.6
111.04497	1.9
127.04025	4.8
129.01979	0.9
136.92043	0.4
153.56091	0.4
155.03412	0.4
160.11913	0.4
171.03061	0.8
173.00938	0.4
173.04536	2.1
191.02122	3.0
191.05620	100.0
192.05942	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	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
57.03444	0.5
58.00612	0.1
59.01383	3.6
60.99326	0.2
63.33694	0.1
65.03974	0.2
67.01888	1.1
69.03461	0.7
71.01384	2.1
71.24226	0.2
72.99317	0.2
73.02938	1.3
75.72298	0.1
80.00648	0.1
81.03458	1.4
83.01398	0.2
83.05046	1.1
85.02957	26.6
86.03291	0.2
87.00342	0.2
87.00884	4.9
93.03464	8.2
94.03791	0.2
95.01440	0.2
99.00869	0.2
99.04523	1.0
101.02437	0.2
108.02176	0.2
109.02960	2.2
111.00893	0.3
111.04543	2.3
113.01089	0.2
113.02432	0.4
115.04041	0.2
115.97742	0.2
122.83032	0.1
125.02489	0.3
127.04023	4.8
137.02464	0.5
153.01881	0.2
155.03508	0.3
171.03011	1.3
173.04570	2.2
176.19672	0.1
186.96396	0.2
191.05620	100.0
192.05975	3.0
200.40170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.38397	0.4
57.03452	2.9
59.01379	3.3
67.01900	2.5
69.68939	1.3
69.69353	0.9
71.01381	1.6
73.02950	1.1
73.10079	0.4
76.64178	0.3
81.03458	0.7
83.01365	0.4
83.05032	1.0
85.02956	31.5
86.03249	0.4
87.00883	23.7
93.03465	6.1
99.04538	0.6
101.02471	0.5
103.04012	0.5
109.02938	1.8
111.00890	44.2
111.04528	2.1
112.01225	0.7
127.04019	3.9
129.01955	2.9
153.02016	0.6
171.03023	1.3
173.00920	0.9
173.04526	2.2
191.02075	6.5
191.05620	100.0
192.05991	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	191.0352
Annotation	5,7-DIHYDROXY-4-METHYLCOUMARIN
Peak:m/z	Relative Intensity
57.03439	0.9
59.01380	1.7
63.02088	0.4
63.02393	4.0
65.00328	3.1
65.96163	0.2
66.51731	0.2
67.01887	0.6
69.03475	0.3
69.57186	0.8
69.57596	0.8
71.01379	1.1
73.02956	0.4
78.26287	0.2
79.05540	0.5
81.03460	4.3
83.01400	1.3
83.05028	0.3
85.02953	12.8
86.03265	0.4
87.00883	5.7
91.05553	0.5
93.03468	3.4
99.04522	0.6
101.02463	0.3
103.05549	0.9
105.03465	3.2
107.01395	2.3
109.02950	0.7
111.00882	9.8
111.04509	1.0
113.02431	0.5
117.82639	0.3
119.05038	1.6
121.02946	0.6
123.04532	1.7
127.04018	2.0
129.01933	0.9
132.02182	0.4
145.03038	0.3
147.04520	5.9
148.01688	0.7
148.04895	0.3
149.02446	5.2
163.04050	0.6
171.03006	0.6
173.04533	1.1
176.01137	2.0
191.03499	100.0
191.05571	41.5
192.03822	2.2
192.05814	0.5
210.55986	0.3
213.63913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55408	0.4
57.03447	3.1
59.01382	2.3
66.83139	0.4
67.01891	1.4
70.52404	1.0
70.52767	0.6
71.01385	1.5
72.99301	0.4
73.02952	0.9
81.03475	0.6
83.05025	0.7
85.02956	31.0
86.03255	0.4
87.00884	24.2
93.03465	4.8
99.04507	0.5
109.02959	1.0
111.00892	53.0
111.04518	1.6
112.01245	0.9
113.02473	0.6
126.23932	0.4
127.04007	3.7
129.01949	3.6
154.99869	0.4
155.03534	0.6
171.02994	1.3
173.00911	2.0
173.04486	1.8
187.46706	0.4
191.02037	9.7
191.05623	100.0
192.05998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
55.59479	0.4
57.03459	1.4
59.01384	2.4
66.31154	0.3
67.01908	1.4
69.03477	0.4
69.28253	0.6
69.28658	2.5
71.01401	1.2
72.99311	0.5
73.02966	1.3
77.03996	0.4
81.03467	0.8
83.05032	0.4
84.00645	0.4
85.02959	17.9
87.00887	8.5
91.01934	0.4
93.03471	4.8
97.03067	0.4
97.65732	0.3
99.04546	0.8
101.02497	0.6
109.02950	0.9
109.18359	0.4
111.00893	15.9
111.04532	1.3
117.01978	0.4
119.05035	1.6
121.02969	100.0
122.03307	1.6
127.04035	2.4
129.01941	0.9
132.15024	0.3
137.02467	0.6
147.00957	0.4
147.04539	6.8
147.08220	0.4
147.71724	0.4
155.03297	0.4
163.04008	0.8
173.00970	0.4
173.04457	1.0
176.01137	1.3
191.03558	9.5
191.05608	54.6
192.05933	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98291	0.3
57.03456	6.5
59.01384	2.1
67.01906	3.8
69.03458	0.4
71.11411	0.6
72.99316	0.5
73.02953	0.6
78.46018	0.3
85.02956	37.8
86.03291	0.8
87.00882	47.8
88.01228	0.5
93.03475	2.6
101.02435	0.7
109.02927	0.5
111.00887	100.0
112.01228	1.6
117.01937	0.4
127.04015	1.4
129.01959	5.2
130.99872	1.2
147.02995	0.6
154.99898	0.6
165.13615	0.3
171.03004	0.5
173.00848	1.6
173.04562	1.0
174.13527	0.3
176.65050	0.3
191.02002	10.2
191.05620	40.1
192.05998	1.0
193.46681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.8
59.01386	2.5
67.01897	3.4
69.03460	0.4
69.60037	1.6
71.01379	1.2
72.99306	0.5
73.02946	1.1
81.03470	0.4
81.95419	0.3
83.05017	0.6
83.82623	0.3
84.56245	0.3
85.02959	43.3
86.03257	0.5
87.00883	50.6
88.01226	0.4
93.03471	4.3
98.19873	0.3
99.00819	0.3
99.04525	0.5
101.02446	0.9
103.03993	0.6
109.02952	1.0
111.00890	100.0
111.04543	1.4
112.01222	1.7
117.01936	0.4
127.04025	2.3
129.01947	5.6
130.99861	0.9
147.03035	0.4
154.99863	1.1
155.03448	0.3
171.03012	1.1
173.00900	2.1
173.04530	1.3
184.68478	0.3
191.02023	10.9
191.05620	58.0
192.05975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99785	1.2
55.01873	1.2
57.03444	3.5
58.02959	1.3
59.01386	2.8
60.55913	1.1
70.21545	2.2
70.21933	2.4
71.05029	3.5
72.00906	2.4
72.04539	5.4
72.99284	1.1
73.02953	1.6
82.02998	3.4
83.01394	12.0
83.05029	2.2
84.00919	1.7
85.02937	2.1
86.02470	3.3
86.06135	7.9
96.04572	9.0
97.02950	3.5
98.02485	93.9
98.06129	3.8
99.02794	2.1
99.04527	1.4
102.05611	4.1
108.04542	3.0
112.04066	6.9
114.05619	92.6
116.07190	17.0
122.93348	1.2
124.04050	12.9
126.02823	2.7
126.05612	14.0
127.04041	1.5
128.03511	2.6
142.05109	100.0
143.05441	1.4
144.05521	2.2
144.06673	46.6
144.10297	3.4
166.47601	1.1
170.04590	1.9
171.02982	1.9
188.05652	50.3
189.04076	2.3
193.14713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
58.19564	0.2
59.01366	0.4
61.98837	2.0
69.60610	0.8
69.61020	0.4
71.86546	0.2
73.29549	0.2
76.81405	0.2
78.95924	0.3
87.92543	0.4
102.03501	0.6
103.92081	0.2
116.05079	0.5
126.10065	0.3
127.07670	0.5
129.05611	0.7
141.85887	0.2
141.86823	9.8
144.04562	100.0
145.02948	0.3
145.04924	2.2
159.03294	0.9
159.87874	2.9
160.04015	0.3
170.53659	0.2
170.89021	0.3
187.86063	0.6
188.03479	3.6
188.10040	0.3
188.85364	0.4
189.07710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0566
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
57.03443	4.5
59.01381	2.7
69.03458	1.0
70.45243	3.0
71.05030	2.5
72.00918	2.3
72.04546	6.3
73.02948	2.3
82.02993	2.9
83.01392	13.0
83.05018	1.0
84.00919	2.0
85.02951	1.8
86.02486	2.1
86.06122	8.0
94.02987	1.1
96.04559	10.0
97.02958	2.3
98.02483	97.2
98.06107	3.4
98.77396	0.9
99.00891	1.2
99.02795	2.0
99.04527	1.6
100.04877	2.7
102.05617	4.0
108.04565	3.6
112.04059	6.7
114.05618	92.7
115.05935	1.8
116.07185	17.5
117.03909	1.1
124.04053	13.2
126.02774	8.6
126.05618	15.7
127.04045	2.2
128.03583	3.1
128.35294	1.0
129.01930	1.0
142.05109	100.0
144.02960	1.0
144.06680	45.7
145.03371	2.1
170.04584	1.9
171.03020	1.7
188.05655	57.2
189.04042	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	187.134
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
57.03453	0.7
59.01385	100.0
65.76253	0.8
70.56185	1.1
70.56525	1.3
70.75938	0.7
71.01427	1.0
72.48098	0.7
97.06629	2.7
101.65379	0.8
104.60693	0.8
123.08186	0.9
125.06132	0.8
125.09739	19.5
125.10633	1.2
141.12840	1.4
149.60486	0.9
159.04558	1.3
168.89032	1.1
187.04045	1.3
187.06256	1.2
187.07858	1.8
187.09831	9.3
187.13393	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	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.41284	0.4
57.03461	0.5
59.37075	0.3
71.01356	0.4
72.99335	0.4
79.61977	0.4
79.62986	0.3
97.06628	0.5
109.38345	0.4
113.09730	0.5
125.09744	3.7
137.29266	0.4
139.11302	4.0
141.12869	100.0
142.13220	2.0
168.88892	0.4
169.12379	2.7
185.11829	1.6
187.10022	1.8
187.13408	73.2
188.13771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03445	0.9
59.01387	0.7
61.98820	1.1
65.31125	0.3
69.24218	0.3
71.01382	0.8
72.99299	0.4
90.97137	0.9
96.99322	0.5
97.06620	1.8
104.80674	0.3
109.07970	0.4
123.08162	1.4
125.09737	13.8
127.45468	0.4
141.12869	6.8
141.86826	4.0
142.89412	0.6
143.04881	0.3
143.10835	0.9
159.04568	0.8
159.87866	1.4
168.88908	1.1
169.08784	0.4
169.12357	2.0
180.29106	0.4
185.11797	0.8
186.95604	0.6
187.03957	0.9
187.07738	1.5
187.09796	7.0
187.13409	100.0
187.86055	0.5
188.13737	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	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03460	3.7
59.01362	0.2
60.13674	0.3
62.64729	0.2
67.26286	0.2
67.76893	0.2
69.03477	0.6
70.30116	0.3
70.30465	0.8
71.05054	0.4
73.04733	0.2
83.05061	0.5
95.05050	0.7
97.06599	12.4
101.84711	0.2
123.08177	6.3
125.09738	100.0
126.10075	2.3
141.86818	0.2
143.10805	2.1
169.08672	2.1
187.09775	43.6
188.10190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	NONIC ACID
Peak:m/z	Relative Intensity
59.01385	0.3
61.98825	0.8
70.43870	0.2
71.01386	0.4
71.03593	0.5
71.03910	0.3
71.05051	0.3
81.50928	0.3
90.97182	0.3
91.83714	0.2
95.31801	0.3
97.06576	0.6
98.00111	1.1
123.08197	0.6
125.09734	5.6
125.46321	0.3
133.52097	0.3
141.86850	2.8
142.89380	0.6
143.10791	100.0
144.11150	1.7
159.87895	0.5
169.08713	9.1
187.09773	32.9
187.13373	0.8
188.10071	0.7
196.48380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0773
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.01888	0.5
57.03451	3.1
58.02958	0.7
59.01378	0.8
69.03460	1.1
71.01405	0.8
71.05019	1.3
71.54538	0.8
72.04553	52.0
78.95913	1.8
82.02988	2.4
83.01382	2.1
84.66279	0.5
95.24755	0.5
96.96976	0.9
97.06620	1.3
98.02460	1.1
98.06109	4.2
99.00888	0.6
99.04561	1.3
100.04057	1.6
102.05617	1.4
102.82248	0.7
112.07698	2.5
113.00671	1.1
114.09258	100.0
115.08790	0.7
115.09569	1.9
116.03578	0.8
124.04002	0.8
125.02428	1.8
125.09737	2.8
140.07198	17.3
141.07568	0.8
142.08748	37.0
143.07101	0.9
144.06627	1.0
152.14825	0.7
169.05058	1.1
186.06131	1.3
186.07727	19.9
187.06154	1.1
187.09720	0.8
188.52824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.01469	0.3
53.14687	0.3
55.67700	0.3
56.88973	0.3
57.03455	2.6
59.01373	0.7
69.03457	1.3
69.69356	1.8
70.06453	0.3
123.08158	0.5
125.09750	2.0
139.11279	0.7
140.89696	0.5
141.09201	1.0
141.12857	4.7
142.59152	0.3
143.08391	0.3
167.10791	0.5
185.11836	100.0
186.12175	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	185.1548
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
59.01394	0.5
64.07949	0.2
69.03461	0.3
70.74989	0.2
71.56203	0.3
85.02941	0.2
97.06577	0.4
123.08111	0.4
123.42120	0.2
125.87347	0.3
140.89709	1.3
141.05556	0.2
141.09206	0.8
142.96616	0.2
157.86354	0.2
168.53430	0.2
185.12134	2.0
185.15475	100.0
186.15794	2.6
192.68350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1548
Annotation	7-Methoxy-3,7-dimethyl-octanal
Peak:m/z	Relative Intensity
57.03454	34.0
59.01380	13.7
61.98831	5.5
69.03450	5.6
71.01375	5.6
71.05006	3.6
72.02146	6.0
73.02942	3.0
82.65816	2.7
83.05007	2.7
94.42079	2.4
96.71597	2.6
97.02926	3.5
97.06578	4.9
98.61794	2.6
112.98814	2.8
113.09779	3.1
123.08147	5.6
125.87334	6.4
127.11349	3.8
128.11626	2.4
139.11281	10.6
139.87300	5.0
140.89684	31.3
141.09222	20.9
141.12865	100.0
155.14456	30.5
157.12239	3.2
157.86276	5.5
167.10745	4.7
183.13756	4.0
184.88612	8.6
185.04570	4.4
185.08177	6.2
185.11864	51.6
185.15482	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03451	3.1
58.02958	0.7
59.01378	0.8
69.03460	1.1
71.01405	0.8
71.05019	1.3
71.54538	0.8
72.04553	52.0
78.95913	1.8
82.02988	2.4
83.01382	2.1
84.66279	0.5
95.24755	0.5
96.96976	0.9
97.06620	1.3
98.02460	1.1
98.06109	4.2
99.00888	0.6
99.04561	1.3
100.04057	1.6
102.05617	1.4
102.82248	0.7
112.07698	2.5
113.00671	1.1
114.09258	100.0
115.08790	0.7
115.09569	1.9
116.03578	0.8
124.04002	0.8
125.02428	1.8
125.09737	2.8
140.07198	17.3
141.07568	0.8
142.08748	37.0
143.07101	0.9
144.06627	1.0
152.14825	0.7
169.05058	1.1
186.06131	1.3
186.07727	19.9
187.06154	1.1
187.09720	0.8
188.52824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
55.01884	1.1
57.03456	100.0
59.01386	2.9
69.03458	3.6
69.83204	0.9
71.05035	1.5
71.26653	1.1
71.26970	1.2
83.05058	1.3
85.06634	1.2
94.27065	0.9
94.82288	1.0
95.05024	1.0
97.06625	1.2
113.09731	5.7
115.03997	1.0
118.13266	1.0
123.08186	3.5
125.09731	5.9
127.11315	5.0
139.11308	8.1
140.89691	4.5
141.09230	4.2
141.12871	73.1
142.13167	1.2
155.14395	3.0
157.12352	3.2
183.22710	1.0
185.03534	1.1
185.06088	1.1
185.11844	64.6
185.15327	5.0
187.71812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1185
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
54.19847	0.8
55.01870	1.3
57.03442	1.4
59.01380	5.4
69.03451	1.7
71.05026	46.2
81.03470	1.0
83.05029	4.8
85.06567	1.5
87.00890	3.4
97.02970	4.9
110.03733	1.0
111.08168	1.2
113.06125	0.9
113.09754	8.5
114.68513	0.8
123.01004	0.8
123.08195	1.3
124.35590	0.9
125.09708	1.0
125.87383	2.0
128.93033	1.0
139.11298	14.6
139.87276	2.0
140.89696	9.5
141.09299	5.3
141.12871	100.0
142.13208	1.6
157.86295	1.7
157.88309	1.2
167.10785	65.1
168.11134	1.0
184.88647	3.0
185.04628	1.1
185.08316	2.5
185.11841	96.9
186.12267	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	184.9858
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
54.57893	0.2
59.01379	0.3
69.03465	6.2
69.28398	1.4
71.01395	0.2
78.89904	0.2
78.95911	100.0
82.02975	0.3
83.03328	0.3
83.05052	0.2
87.00868	0.5
95.05042	0.2
96.04556	0.4
96.96970	90.0
97.02955	0.3
97.04894	0.5
97.06594	0.3
98.02502	0.3
99.02834	0.2
105.01928	0.4
110.98539	5.8
111.06548	0.2
113.02440	0.4
115.92109	0.5
117.09753	0.2
123.04515	0.2
125.02435	0.3
140.03560	0.2
141.03880	0.6
141.05702	0.9
141.06664	0.4
141.09256	0.3
142.05116	0.3
142.08772	0.4
152.99548	0.3
156.03052	0.2
157.03355	0.7
166.97488	1.6
170.05388	0.2
184.98581	7.9
185.02141	1.4
185.04436	0.2
186.07675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
55.01883	3.6
63.58495	0.4
69.03461	3.5
70.79902	0.9
71.05029	16.2
80.02675	0.7
80.80503	0.4
81.03458	1.3
83.05039	2.4
97.06589	0.4
98.00101	0.5
109.06589	0.6
111.08147	1.3
130.42934	0.4
137.09740	4.3
139.11304	100.0
140.11673	2.0
146.05600	0.4
159.17628	0.4
165.09294	0.5
176.17422	0.4
183.10255	3.6
183.13927	1.1
187.93303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
54.47879	1.6
55.01871	1.8
57.03447	4.3
57.71186	1.4
58.00588	2.0
59.01385	54.0
62.61667	1.3
69.03461	4.8
69.70483	7.9
69.70880	2.7
71.00368	1.6
71.01386	46.6
71.05020	2.1
72.99302	7.4
73.02950	14.6
75.00880	50.2
78.95916	6.2
80.96316	2.5
81.03454	6.2
83.01395	5.3
85.02959	28.0
87.00884	100.0
88.01208	2.1
89.02452	19.7
90.98627	1.6
93.89359	1.5
95.01418	5.0
97.02950	10.9
99.00890	29.0
99.04525	2.1
101.02454	13.6
107.05017	1.5
111.00961	2.6
113.02435	6.6
117.01942	18.2
125.02489	13.4
129.01959	3.4
130.11002	1.7
131.03516	4.7
134.03732	4.6
135.04544	27.0
136.04880	1.7
141.01895	8.0
143.03482	7.4
159.03009	5.0
161.04567	58.8
161.05910	3.2
177.04071	1.6
179.03609	4.0
179.05626	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.11263	0.2
54.02796	0.3
59.01382	0.6
70.08208	0.4
70.08574	1.0
71.01389	0.3
82.02975	0.3
89.02470	0.3
92.05070	4.8
94.02979	1.3
94.23926	0.3
96.00937	0.3
102.02804	0.3
108.04569	55.8
109.04895	1.2
110.02438	0.4
110.06124	1.1
111.04578	0.2
120.04569	5.7
122.02490	1.4
123.03304	1.0
136.04048	1.2
138.05630	100.0
139.05965	2.4
148.77159	0.2
152.03552	1.4
164.03587	0.4
166.99957	0.3
171.88739	0.3
182.04599	21.9
183.04936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01387	3.7
63.02391	0.6
67.34290	0.3
69.03450	0.7
69.78133	0.3
71.01389	3.9
71.57096	0.5
72.22377	0.3
73.02953	1.3
79.05543	0.3
81.03498	0.4
83.01404	1.0
85.02966	2.6
87.00883	9.4
87.57249	0.3
87.98711	0.3
89.02434	1.5
89.03963	0.6
91.05539	0.6
93.03461	0.4
95.01406	0.4
97.02953	1.2
99.00893	2.6
101.02448	1.0
106.04234	0.6
107.01407	0.8
107.05052	2.9
109.02967	0.6
113.02441	0.4
117.01958	2.0
117.03500	1.4
117.90115	0.3
121.02984	0.5
123.04519	0.3
125.02462	1.5
134.03761	11.0
135.04543	100.0
136.04851	2.2
137.02480	0.6
141.01942	0.8
146.03792	0.5
149.02415	0.8
150.03253	0.4
151.00359	1.0
151.04021	0.8
159.03058	0.5
161.04588	4.9
164.01186	1.2
164.04797	1.1
178.99931	1.0
179.03526	14.3
179.05634	6.8
179.07115	0.9
179.10770	0.4
180.03920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
54.61405	1.3
55.01873	4.0
55.61055	1.4
56.93679	1.2
57.03445	3.4
58.00599	3.0
59.01384	44.5
69.03458	5.0
70.20654	5.1
71.01386	51.5
72.99323	4.0
73.02965	8.7
75.00892	10.8
78.95910	24.1
78.96378	1.3
79.01886	2.0
81.03482	1.3
83.01383	7.3
85.02963	25.0
87.00887	100.0
89.02454	16.6
95.01395	2.9
96.96013	4.2
96.96988	11.2
97.02968	10.1
99.00893	26.4
101.02439	13.3
107.01448	2.0
107.05038	2.2
109.02957	3.0
113.02465	5.4
113.18951	1.3
117.01945	20.6
119.03564	1.7
119.47816	1.4
123.00832	1.7
125.02464	16.7
129.01929	2.5
131.03494	1.6
133.27457	1.5
134.03763	4.2
134.96101	1.5
135.04538	57.1
136.04892	1.8
136.52855	1.4
136.94019	4.4
136.94981	2.1
137.02451	1.7
141.01930	8.3
143.03485	2.0
151.00378	2.1
159.02988	4.9
161.04578	60.9
162.04926	2.1
164.01266	2.9
177.04109	2.7
178.94930	2.6
178.96234	1.8
178.99928	1.6
179.03561	9.2
179.05632	69.7
179.06964	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	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.79551	0.2
52.66056	0.2
59.01390	1.9
63.02408	0.8
64.83693	0.2
65.00299	0.3
69.03450	0.3
69.20405	0.6
69.20820	2.0
71.01383	1.4
73.02960	0.6
79.05549	0.3
80.81515	0.2
83.01385	0.4
85.02979	0.9
87.00893	4.3
89.02451	0.5
89.03982	0.7
91.05542	1.0
93.03481	0.4
95.05066	0.3
97.70472	0.2
99.00889	1.3
105.76758	0.2
106.04269	0.6
107.01408	0.7
107.05052	2.9
107.95512	0.3
108.02178	0.4
109.02977	0.3
113.02476	0.5
117.01959	0.9
117.03477	1.3
123.04513	0.3
125.02431	0.5
134.03767	12.7
135.04543	100.0
136.04865	1.9
139.87851	0.3
141.01883	0.4
143.42024	0.2
146.03796	0.4
151.00407	1.2
161.04562	2.3
164.01187	0.4
164.04828	0.6
169.01491	0.3
178.99966	0.9
179.03522	16.7
179.05652	2.5
179.07057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	trans-2,3-Dihydroxycinnamate
Peak:m/z	Relative Intensity
57.03453	1.2
59.01387	2.7
59.44017	0.2
63.02386	0.7
65.00310	0.3
68.63743	0.2
69.03444	0.2
69.52537	1.3
71.01384	2.6
71.92829	0.2
72.99295	0.2
73.00316	0.2
73.02950	0.4
75.00879	0.3
76.16557	0.2
78.95918	0.6
79.01900	0.3
81.03456	0.4
82.26249	0.2
83.01390	0.8
83.47202	0.2
85.02962	1.4
87.00887	5.8
89.02448	0.8
91.01915	1.3
91.05538	0.8
93.03452	0.4
93.13415	0.2
94.02952	0.2
96.96027	1.1
96.96951	0.3
97.02038	0.2
97.02956	0.7
98.20667	0.3
99.00877	1.7
101.02461	0.9
107.01410	1.3
107.05058	0.6
108.02186	1.8
109.02965	100.0
110.03328	1.4
113.02457	0.3
117.01978	1.0
121.02962	2.0
125.02452	1.0
134.03766	0.5
135.00963	0.4
135.04547	26.0
136.01703	0.3
136.04900	0.4
136.07687	0.4
136.94041	0.4
137.02493	0.8
141.01927	0.6
145.02902	0.2
146.03764	2.5
149.02478	0.3
151.00392	1.6
151.04050	0.7
152.85854	0.2
159.03035	0.4
161.04594	3.7
161.06090	0.9
164.01187	1.2
164.04817	2.2
164.61549	0.2
165.01897	0.6
177.04083	0.3
179.00031	1.4
179.03535	17.7
179.05618	4.3
179.07155	1.6
179.10762	0.4
180.03893	0.5
180.07991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01863	0.3
59.01388	1.6
61.54151	0.2
63.02406	0.9
65.00335	0.4
68.57648	0.2
71.01390	1.1
73.02945	0.5
83.01418	0.7
85.02953	0.5
85.49192	0.2
87.00882	2.9
89.03970	0.5
91.05547	0.4
96.96879	0.3
97.02969	0.6
98.19883	0.9
99.00895	0.8
101.02464	0.5
106.04225	0.4
107.01415	1.1
107.05022	2.1
108.02147	0.4
109.02962	5.7
117.01965	0.7
117.03500	0.6
121.02985	0.3
125.02420	0.5
134.03752	7.2
135.04533	100.0
136.04880	2.0
137.02449	0.5
149.02553	0.3
151.00360	1.8
151.04048	0.4
161.04552	1.8
164.01170	0.7
164.04755	0.4
178.99884	0.9
179.03506	18.2
179.05623	1.9
179.07050	0.5
180.03893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0347
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.22480	0.4
55.21246	0.4
59.01377	2.7
60.27636	0.4
65.19759	0.5
69.58421	1.8
69.58825	0.9
71.01394	3.6
73.02948	1.2
75.00876	0.6
78.95911	1.7
83.01428	0.6
85.02966	1.8
87.00884	8.9
89.02452	1.0
89.03979	0.9
90.45480	0.4
91.05564	0.7
96.96021	1.4
96.96970	1.5
97.02953	0.8
99.00883	2.2
101.02415	0.9
106.04279	0.4
107.01366	0.5
107.05042	3.0
108.02181	0.5
109.02946	1.4
117.01955	2.0
117.03477	1.7
121.02951	0.9
125.02450	1.0
127.30214	0.4
134.03766	12.7
135.04539	100.0
136.04854	2.4
136.07681	0.4
136.94048	0.5
141.01927	0.8
149.02469	1.2
151.04025	0.6
159.02975	0.5
161.04567	5.0
164.01144	1.4
164.04820	1.7
177.04163	0.5
178.99979	0.7
179.02371	0.6
179.03517	15.5
179.05617	6.2
179.07091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56289	0.2
55.07767	0.2
61.81430	0.2
68.83156	0.2
68.99803	0.2
69.84681	0.9
77.03969	0.7
81.03451	1.9
81.33434	0.2
85.47330	0.2
89.03976	9.4
90.04280	0.4
93.03461	1.8
95.05023	0.9
102.98142	0.2
105.03466	14.1
107.01398	1.0
108.93581	0.2
109.02934	0.4
121.02965	1.4
122.03270	0.2
123.04539	0.4
133.02965	26.4
134.03267	0.7
136.04802	0.3
139.04047	0.4
149.02452	4.5
162.03267	1.7
177.01936	100.0
178.02277	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72936	0.3
69.73173	0.4
69.73589	1.0
73.17361	0.2
79.95763	0.3
87.00893	0.4
119.93765	0.9
120.76810	0.2
134.96104	49.8
135.96165	1.8
136.94025	100.0
137.94090	3.6
138.94432	0.3
144.04495	0.3
151.92735	17.3
152.92845	0.7
167.53755	0.3
178.95079	65.1
179.95206	2.1
191.45111	0.2
196.96169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03447	0.9
59.01384	7.1
70.83739	1.0
78.95921	0.5
85.06600	43.7
87.04540	2.3
88.52828	0.4
93.03506	0.6
107.58018	0.4
110.41845	0.5
113.06103	38.0
114.06438	0.9
115.04027	100.0
116.04379	1.5
129.05612	1.3
131.07164	8.7
132.98225	0.5
133.23174	0.4
135.04628	0.6
147.04582	0.5
157.05070	9.1
157.06262	0.7
174.88953	1.2
175.06134	47.6
176.06480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0191
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
50.85542	0.5
56.72160	0.5
59.01377	2.8
67.01905	0.6
67.05527	0.6
68.02236	0.7
68.99802	0.6
69.40096	4.1
71.01067	0.5
71.01387	3.4
75.00883	1.5
77.03967	4.9
78.95916	0.9
81.03462	2.2
85.02956	1.3
85.61409	0.5
87.00901	1.0
88.67842	0.6
89.02467	1.0
89.03976	9.1
93.03467	5.9
94.03815	1.8
95.05048	7.4
98.19846	0.9
99.00917	0.9
105.03474	31.0
106.03793	0.8
107.01398	1.0
121.02966	4.3
123.04552	2.8
129.01970	1.5
132.02197	0.7
133.02972	72.7
133.06583	1.2
134.03651	1.7
135.04556	6.6
136.04868	5.9
148.04111	0.8
149.02461	5.9
149.06055	1.2
162.03242	20.2
177.01945	100.0
177.09222	1.2
178.02336	2.4
178.05072	1.4
179.03488	3.2
180.03847	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	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
59.72100	0.3
67.01884	0.8
69.40556	1.2
69.40975	1.4
78.68662	0.3
93.03465	4.2
95.23396	0.3
98.19943	0.5
98.26855	0.3
103.14500	0.3
111.04536	0.3
115.09298	0.3
125.09801	0.4
127.11308	12.0
155.10831	2.1
171.10263	1.3
173.04547	1.0
173.11841	100.0
174.12187	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
60.68493	0.3
69.03459	0.7
71.01389	0.9
72.99329	0.4
85.02971	0.4
87.00884	0.9
92.05070	0.4
98.19850	0.5
102.03529	0.3
115.00375	0.7
115.04011	0.3
118.03009	1.1
119.03340	3.1
132.02203	1.0
132.98169	0.4
146.01324	0.3
146.02493	6.2
147.03313	7.6
158.02528	0.8
160.01665	2.2
174.88956	1.5
175.02756	100.0
176.03145	2.4
179.02245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93033	0.3
55.02986	0.4
59.01392	2.4
61.11069	0.3
68.99793	0.4
71.01389	1.1
71.56135	0.5
72.99320	0.4
73.02951	0.4
79.32780	0.3
79.63161	0.3
84.55503	0.3
85.02959	0.8
85.06587	0.4
87.00878	0.9
94.51196	0.3
98.00238	0.3
103.76989	0.3
115.00391	0.6
115.04014	0.8
118.03014	1.0
119.03333	2.9
122.83257	0.3
131.05052	0.8
132.02200	0.8
132.98247	0.5
146.02496	6.9
147.03304	7.2
147.04509	0.7
158.02539	0.5
160.01660	2.0
174.88962	1.4
175.02760	100.0
176.03186	2.9
179.02280	1.1
182.56161	0.4
184.42310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
54.41718	0.3
57.03442	0.4
59.01378	2.4
67.71025	0.3
71.01376	0.5
71.55068	0.7
78.95924	1.0
85.06596	23.1
87.00885	100.0
87.04521	5.9
88.01220	0.8
93.03489	1.0
93.98990	0.3
101.02451	4.2
113.06100	17.0
115.00390	0.3
129.05589	1.5
131.07117	1.4
134.03636	0.4
134.44579	0.3
135.04547	2.0
135.66614	0.3
157.05098	2.0
174.88968	0.7
175.06128	28.5
176.06471	0.7
179.03503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
56.72596	0.5
57.03455	3.4
58.29556	0.6
59.01381	4.9
60.99309	1.8
67.01897	23.8
68.24404	0.6
69.03453	4.8
69.56921	2.5
69.57327	1.2
71.01384	10.5
72.99316	1.0
73.02968	1.3
74.51822	0.6
81.03473	2.5
83.01386	0.7
83.05033	3.5
85.02953	2.1
93.03467	100.0
94.03808	2.0
95.01401	0.6
97.03002	0.6
99.00887	2.2
99.04536	1.0
106.20655	0.6
109.02949	2.0
111.00877	4.2
111.04532	13.5
111.05199	0.5
111.08160	5.4
113.02470	0.9
127.04089	0.6
127.11287	0.7
129.05640	0.7
129.09230	5.7
137.02458	2.1
145.02969	0.9
154.99786	0.7
155.03529	3.3
172.83035	0.7
173.04559	80.2
173.08115	4.3
173.11876	3.9
174.04889	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	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03453	5.3
59.01377	0.8
67.01888	3.1
69.03460	1.0
70.30201	0.5
70.30589	0.4
71.01377	1.2
71.40942	0.2
72.99335	0.3
73.02940	0.5
78.67125	0.2
81.03460	1.1
83.05032	12.2
85.02979	0.3
93.03464	10.7
97.03023	0.2
98.20552	0.3
99.00899	0.6
109.06594	3.2
111.00896	0.8
111.04556	1.8
111.08167	100.0
112.08496	1.9
113.02482	0.3
127.11246	0.4
129.08321	0.5
129.09225	5.8
137.02451	0.3
155.07185	1.1
166.87625	0.2
173.04614	3.8
173.08200	38.1
174.08519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1184
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
51.82054	0.4
58.55404	0.4
59.01387	0.6
60.85681	0.4
67.01891	2.6
69.03452	0.5
71.01393	0.6
72.99289	0.4
73.02964	0.4
93.03469	10.8
98.19865	0.9
99.00832	0.4
111.00885	0.8
111.04539	1.7
111.08204	1.1
125.09753	3.4
127.11304	100.0
128.11662	1.5
138.74033	0.4
155.10793	2.0
171.10405	0.8
173.04602	0.8
173.11839	65.7
174.12167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1184
Annotation	2-(Pentyloxy)ethyl acetate
Peak:m/z	Relative Intensity
57.03463	2.3
59.01387	100.0
60.55334	0.7
60.99308	3.8
65.58300	0.5
65.66354	0.5
67.01900	21.9
68.99829	1.0
69.03462	6.2
70.20076	2.0
71.01395	5.5
72.99319	1.5
73.02957	2.2
78.28960	0.5
81.03466	1.4
83.01423	0.6
83.05019	2.9
85.02969	1.9
85.06599	0.8
93.03468	86.1
94.03795	2.4
95.01436	0.9
95.02065	0.6
99.00887	2.8
109.02985	1.2
111.00890	2.8
111.04529	11.7
111.08164	8.1
115.04009	0.7
127.11332	2.9
129.01953	1.1
129.05603	0.9
129.09230	2.2
137.32236	0.6
145.02954	1.6
155.03555	1.1
172.83049	2.5
173.02411	1.2
173.04581	9.8
173.06007	1.3
173.08206	3.9
173.11845	17.2
174.05594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
53.00311	2.6
55.01883	4.1
57.03451	12.3
59.01383	12.7
60.99304	4.3
65.52695	1.1
67.01897	36.0
68.99815	2.4
69.03461	9.5
70.07167	3.7
70.63580	0.9
71.01388	64.7
71.05025	2.9
72.99319	6.9
73.02949	11.5
75.00857	1.8
81.03457	3.8
83.01411	8.5
83.05028	8.6
84.20870	1.0
85.02959	28.0
85.06595	74.7
87.00884	6.8
93.03468	100.0
94.03788	1.9
96.99318	3.0
97.02978	1.1
98.20594	1.3
99.00895	20.8
99.04539	3.4
101.02442	3.2
101.06094	3.7
109.02971	1.9
111.00893	75.7
111.04529	52.5
111.08166	3.7
112.04106	1.5
112.98814	20.8
113.02467	2.5
113.04391	1.4
115.00361	3.1
115.42683	1.1
116.90646	1.1
117.01959	1.9
124.98829	19.5
127.04041	3.2
129.01976	6.6
129.05580	12.2
130.08693	1.1
131.08305	1.5
137.02437	2.6
140.98248	1.9
142.99876	56.6
144.00244	1.4
145.02921	1.3
154.99925	5.6
155.03510	24.4
173.01170	6.8
173.04558	97.0
173.08163	3.4
173.11789	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	173.0456
Annotation	Shikimate
Peak:m/z	Relative Intensity
57.03454	3.7
58.00585	0.6
59.01382	5.7
60.99307	2.1
65.03939	0.8
67.01896	20.9
69.03465	4.2
70.06241	2.4
71.01391	11.7
71.05010	0.8
72.99309	1.3
73.02943	0.6
76.47328	0.6
81.03470	3.5
83.01433	0.7
83.05030	2.8
85.02952	2.0
87.00895	1.0
93.03467	100.0
94.03790	1.0
97.02959	0.6
99.00895	1.5
99.04511	1.2
109.02979	3.3
111.00895	1.5
111.04530	12.3
111.08167	1.5
113.02471	1.0
122.87701	0.5
127.04002	1.1
137.02431	1.9
155.03491	3.2
173.04558	99.8
173.11864	0.9
174.04942	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
50.41852	0.6
52.53175	0.6
53.00320	0.9
53.00985	0.6
53.01271	0.5
54.20378	0.7
55.01874	2.3
57.03454	5.3
59.01378	3.4
60.99321	0.6
65.03960	0.9
67.01897	18.1
68.10991	0.6
68.99821	1.4
69.03461	1.6
70.59383	0.9
70.59709	1.2
71.01387	36.9
72.99305	2.9
73.02951	2.9
77.28013	0.7
80.99841	1.0
81.03456	2.6
83.01402	5.5
83.05036	2.7
85.02956	30.2
85.06572	0.9
87.00889	2.7
87.36600	0.6
93.03466	54.5
94.03836	0.9
96.80210	0.7
96.99326	1.5
98.07349	0.7
99.00884	14.0
101.02457	3.3
109.02945	1.4
111.00892	100.0
111.04528	12.0
112.01260	1.7
112.98817	2.7
115.00391	1.0
124.98811	11.3
124.99648	1.2
127.04041	1.9
129.01958	5.9
129.05635	0.7
137.02467	1.9
142.99873	27.0
154.99890	6.9
155.03479	4.0
173.01006	7.8
173.04568	57.2
174.04848	0.9
179.44174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00302	4.4
55.01877	7.6
57.03450	5.8
59.01378	4.5
66.05781	1.0
67.01889	10.7
67.46786	1.0
68.99825	2.3
69.03490	1.4
70.73270	2.9
71.01388	97.7
72.99319	3.8
73.02952	4.2
80.99812	2.7
82.85638	1.0
83.01395	9.1
85.02960	14.3
85.06602	3.7
87.00893	7.1
93.03466	14.1
96.99312	6.4
99.00884	33.0
101.02469	1.7
111.00889	81.0
111.04536	5.2
112.01229	1.8
112.98823	8.6
115.00411	2.6
124.98814	39.6
129.01949	4.1
129.05542	1.3
140.98329	3.5
142.99872	100.0
144.00273	1.6
154.99870	4.9
155.03474	2.3
173.00914	14.0
173.04553	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	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03457	0.4
58.02982	1.9
59.01390	0.5
67.01892	2.7
67.02172	0.2
69.03481	0.8
71.01411	1.1
71.56055	0.2
72.99351	0.2
74.39246	0.3
76.00381	0.2
81.03491	0.5
83.05049	0.4
85.02996	0.5
89.26440	0.2
93.03465	11.7
105.33678	0.3
109.02916	0.3
111.00896	0.6
111.04544	1.5
111.08192	0.5
115.92096	0.3
116.05087	0.7
127.07709	0.4
128.08020	0.5
128.10834	6.1
130.08749	100.0
131.09081	1.4
134.86546	0.4
136.86229	0.3
144.04572	3.1
156.49532	0.2
172.04005	2.0
172.09787	16.0
173.03128	0.5
173.04565	6.5
173.10086	0.4
189.19019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00299	3.3
55.01876	9.8
57.03458	5.5
59.01379	9.1
59.87019	1.0
60.99270	0.9
67.01900	9.2
68.99807	2.4
69.03458	2.4
70.74047	2.7
71.01386	100.0
71.05039	1.2
72.99315	3.4
73.02955	4.9
80.12098	1.1
80.99826	3.1
81.03465	1.1
82.59232	1.1
83.01385	7.5
83.05045	2.3
85.02953	15.1
85.06597	3.2
87.00884	6.6
93.03461	33.7
94.03766	1.4
96.99310	6.0
99.00891	36.4
109.02990	1.5
111.00889	20.8
111.04521	8.8
112.98819	29.9
115.00385	5.0
124.98815	38.9
127.04016	1.2
127.07618	2.0
129.01993	4.5
129.05582	2.0
129.62453	0.9
140.98340	2.7
142.99875	93.4
144.00218	2.2
154.99901	1.3
155.03482	3.7
168.20244	1.0
173.00938	15.4
173.04555	32.2
173.08089	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
53.26796	0.8
53.29872	0.7
55.01870	1.3
57.03453	100.0
58.00590	1.0
59.01398	1.2
69.03461	3.1
71.01381	0.9
71.05020	1.5
71.55949	0.9
83.05018	2.0
89.02390	0.8
99.00876	2.4
99.08164	7.1
109.06616	2.4
111.08162	4.5
111.10544	1.1
113.09753	4.5
116.93161	0.7
123.08179	1.1
125.09729	6.3
127.07674	7.4
127.11304	61.0
128.11615	1.3
130.40268	0.9
143.10802	3.1
153.09303	1.1
170.88461	1.1
171.01999	6.0
171.10277	68.7
171.13841	5.2
172.10658	1.7
176.59903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
57.03452	4.6
59.01394	0.6
69.03462	2.5
71.05027	1.2
81.03478	0.3
83.05046	1.1
98.20697	0.6
99.00876	0.5
99.08147	0.8
109.06602	0.8
111.08167	5.7
125.09718	1.7
127.07658	1.4
127.11290	11.6
153.09215	2.1
170.83292	0.4
171.00771	0.4
171.02043	1.5
171.10280	100.0
172.10649	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	171.1029
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.68157	0.5
53.79918	0.5
57.03451	1.4
59.01385	100.0
60.01728	0.8
60.96308	0.5
67.16476	0.5
68.15416	0.4
69.05413	0.4
70.93813	1.0
71.05048	1.0
79.33106	0.6
83.05006	0.5
85.33308	0.4
90.21579	0.5
97.54320	0.5
99.00900	1.0
99.08158	1.0
99.21011	0.5
109.06631	0.5
110.85960	0.5
111.00902	0.5
111.08164	1.1
125.09753	1.4
127.07650	3.6
127.11305	3.5
144.04575	0.5
153.09215	2.4
170.83305	0.7
171.01994	3.9
171.06677	0.8
171.10294	23.3
171.13834	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	169.1235
Annotation	2-exo-Hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
57.03452	1.1
59.01358	0.9
61.98826	2.4
65.00328	1.0
67.01881	1.6
67.67326	1.0
68.99815	2.2
69.03471	5.3
70.66973	3.2
81.03453	2.0
84.95118	2.1
85.02959	1.2
87.00852	1.7
97.02947	7.6
97.06589	2.0
103.64356	1.0
107.01367	1.6
107.05008	1.4
123.00928	1.1
123.04492	1.3
125.02452	92.9
125.06050	1.6
125.09726	6.4
125.99597	1.8
126.02800	2.0
126.90366	13.6
132.86790	2.8
134.86557	8.3
139.00377	1.6
140.03542	0.9
151.00349	1.7
153.99106	4.3
168.83566	3.0
168.91461	3.6
169.01427	29.6
169.03769	1.2
169.05136	2.9
169.12344	100.0
169.83394	1.3
170.01767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01887	5.3
69.03462	2.9
69.37286	0.9
69.37688	2.2
71.05027	26.1
72.18370	0.4
74.78088	0.4
81.03450	0.8
82.21252	0.4
83.05042	5.8
95.05057	1.0
97.02979	0.7
97.06608	1.3
98.00093	0.6
98.19906	0.9
123.08183	4.2
125.02452	4.8
125.09739	100.0
126.10088	2.4
153.03975	0.5
169.01453	1.5
169.08701	3.0
169.12386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54404	0.5
54.71520	0.5
55.01891	7.4
57.03446	1.0
62.62185	0.5
65.00329	0.7
68.99819	0.7
69.03463	8.5
71.01395	0.5
71.05030	39.2
71.13483	0.8
79.01891	0.8
80.02673	1.3
81.03465	2.9
83.01409	0.7
83.05035	8.7
83.26976	0.5
84.02177	1.1
95.05035	1.9
96.99334	0.7
97.02983	2.7
97.06601	2.1
98.52217	0.5
107.04995	0.7
109.06622	0.9
123.08180	9.0
124.01653	0.6
125.02463	31.8
125.06077	1.4
125.09739	100.0
125.99681	0.6
126.02802	0.7
126.10079	2.3
126.90362	0.6
127.03993	0.6
132.86810	0.7
134.86588	1.8
139.00392	1.6
141.05618	0.6
141.09274	1.0
150.13858	0.5
153.99091	1.4
168.83655	1.1
168.98982	1.8
169.01451	12.6
169.05118	1.2
169.08710	10.3
169.12350	2.2
170.04620	0.5
175.97780	0.5
179.33461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
56.19485	1.4
61.98838	2.1
62.26367	1.4
67.01878	2.1
68.99826	3.3
69.03466	9.3
71.05006	1.6
79.01900	1.6
81.03458	1.5
84.95120	3.0
95.01424	3.4
95.04948	1.4
96.99342	2.2
97.02968	8.4
123.00906	1.5
124.01650	3.0
125.02455	100.0
125.06051	2.6
125.09736	4.1
125.99644	1.7
126.02814	4.0
126.90373	9.4
132.86819	2.3
134.86551	7.6
153.99100	4.9
168.83649	2.3
168.91402	3.4
168.99089	7.7
169.01431	33.8
169.05128	2.2
169.08678	3.6
169.12347	90.5
182.82143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1443
Annotation	2-Methylisoborneol
Peak:m/z	Relative Intensity
55.01881	5.3
57.03457	1.0
60.96236	0.6
61.98825	2.4
67.01891	0.8
69.03459	3.3
69.29597	6.5
71.05027	39.2
75.70242	0.6
80.02682	2.1
81.03447	3.0
82.02990	1.8
82.95427	3.0
83.05019	3.4
95.01402	2.5
95.02013	0.6
95.05048	1.3
97.06628	1.5
108.02180	12.1
109.06593	1.0
111.08161	1.3
113.76204	0.8
114.58312	0.9
123.00905	1.7
123.04543	8.3
124.01627	1.1
124.04070	1.1
125.02486	1.5
132.86794	2.5
137.02534	1.1
137.09755	1.7
139.11308	2.2
149.13431	0.9
152.01164	20.3
165.12843	9.6
166.83365	7.2
166.99840	0.8
167.03493	8.1
167.14424	100.0
168.14729	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55064	0.4
58.02982	100.0
59.03308	0.4
59.04190	0.4
66.03485	0.5
71.17536	0.4
82.03012	1.7
82.95438	0.9
98.20673	1.1
100.42547	0.4
125.02453	4.3
126.90382	0.8
132.86873	0.9
152.88422	0.5
168.06581	0.5
168.13945	9.4
169.01479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
53.57976	1.4
59.98530	11.4
67.01884	1.5
70.86272	3.2
75.15319	1.3
79.07861	1.3
82.02979	3.8
85.02936	2.8
91.01862	1.8
95.01399	5.2
95.05048	1.9
97.02988	1.4
99.04522	10.1
108.02176	24.3
109.03062	1.7
116.14078	1.3
121.02966	1.7
123.00897	4.5
123.04544	16.5
123.08149	1.6
124.04021	1.7
137.02457	2.0
138.03087	1.5
139.04036	2.4
152.01167	45.0
166.83405	2.3
167.03502	16.8
167.07242	3.1
167.10786	100.0
168.11070	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	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
57.03456	1.2
59.01374	4.4
70.30927	2.4
71.01382	3.2
74.18897	0.6
75.09902	0.6
85.02953	4.7
91.01916	1.3
92.01450	1.5
93.03447	1.7
97.02989	0.6
101.02439	6.2
113.02468	0.8
116.92113	1.7
117.03513	0.7
119.05037	100.0
120.05368	2.4
131.03532	1.2
135.00905	1.5
147.08189	1.2
162.83945	6.2
162.89281	1.9
163.00365	3.4
163.04054	7.2
163.06154	9.9
163.11298	58.2
164.11630	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	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
57.40749	0.5
58.16452	0.5
60.99725	0.5
69.56712	2.0
69.57143	1.8
72.00914	39.9
72.99284	0.6
75.57143	0.5
86.63811	0.5
87.00879	3.7
89.02428	0.5
91.05540	2.2
93.03471	1.0
99.00878	0.7
103.05546	5.2
105.01934	3.5
119.05025	2.4
120.04599	0.8
120.05378	2.9
121.02956	6.1
137.02499	0.6
147.04530	100.0
148.04880	2.7
150.03235	2.0
164.07176	50.8
165.01968	1.1
165.04071	2.6
165.07565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01371	0.7
67.07168	0.3
68.29783	0.3
69.64114	1.9
71.01414	0.3
72.12503	0.3
72.99306	0.9
75.00902	0.4
77.03966	0.9
79.38976	0.4
79.65219	0.4
87.00873	2.6
88.79341	0.3
93.03460	3.4
95.05039	2.7
99.00891	0.4
102.97353	0.3
103.08515	0.3
105.01938	2.3
106.04256	22.2
107.37263	0.3
108.02190	5.3
109.02961	0.7
119.05038	1.9
121.02967	17.4
121.05731	0.5
121.06606	8.6
122.03267	0.4
123.04551	2.3
135.04570	0.6
137.02438	1.3
138.03221	1.7
147.04565	1.6
147.08151	0.4
149.01031	0.3
150.03250	2.0
164.82423	0.3
164.83598	1.6
164.89706	0.5
165.01947	2.4
165.04088	1.5
165.09222	100.0
166.09538	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	167.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36434	0.3
65.00327	1.3
67.01919	0.5
69.96648	1.4
80.02686	1.5
81.03445	0.4
91.01906	7.9
95.01399	1.5
107.01385	0.5
108.02187	53.6
109.02525	1.0
111.00919	1.5
121.02921	0.8
123.00896	1.2
123.04537	26.6
123.08147	0.7
124.01675	1.3
124.04845	0.4
125.02515	0.4
137.02498	0.4
152.01166	100.0
153.01500	2.4
160.27515	0.3
166.83415	0.5
167.03511	22.8
167.07216	0.6
168.03938	0.8
168.10510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03465	0.7
59.01383	2.1
61.55034	0.3
64.53695	0.3
71.01378	1.9
71.81512	0.3
73.02961	1.3
77.03987	1.0
81.03464	0.3
83.01382	0.4
85.02958	2.7
86.90848	0.3
87.00874	0.5
89.02454	0.5
89.03965	0.7
95.05031	0.4
95.92973	0.3
97.02986	0.4
101.02480	0.5
104.02682	1.0
105.03463	2.2
113.02492	0.5
115.01866	1.5
117.03461	0.3
127.31578	0.3
131.03528	1.2
132.02187	11.9
132.03206	0.6
133.02969	100.0
134.03343	2.7
160.01656	0.6
160.84285	0.3
161.02458	65.0
161.04613	2.3
162.02834	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	161.0246
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01883	1.0
55.82378	0.2
57.03458	1.9
58.00589	0.5
59.01386	9.8
68.14993	0.2
69.03464	0.7
71.01389	9.0
71.05006	0.2
72.99317	1.2
73.02953	6.8
75.00867	1.1
77.03989	1.1
81.03476	1.5
83.01399	2.6
85.02958	10.4
87.00890	2.7
89.02444	2.3
89.03977	1.3
95.01401	0.6
95.05064	0.5
97.02973	0.8
99.00894	0.7
99.04530	1.0
101.02472	1.6
104.02684	0.7
105.03469	2.7
113.02465	2.1
115.01910	1.3
117.03508	0.8
118.02999	0.4
123.04543	0.5
125.02444	0.7
129.01971	0.3
131.03523	4.3
132.02187	12.1
133.02972	100.0
134.03293	3.2
139.36082	0.2
143.03499	0.3
160.01671	0.3
160.84219	3.0
160.89293	0.8
161.02463	62.5
161.04456	9.0
162.02954	1.5
177.63618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	2-Dehydro-3-deoxy-L-fuconate
Peak:m/z	Relative Intensity
55.01879	1.7
57.03456	6.0
58.00583	1.1
59.01383	16.2
67.72069	0.6
68.95612	0.5
69.03458	1.0
70.96001	1.3
71.01391	16.6
71.05025	25.9
72.99319	2.9
73.02953	19.0
74.03358	0.6
75.00883	1.2
78.19044	0.5
81.03467	2.9
83.01382	4.5
85.02955	18.3
87.00883	100.0
88.01222	1.1
89.02445	3.2
97.02962	1.6
99.00906	1.4
99.04527	31.3
101.02438	4.3
113.02435	2.7
115.04030	5.5
117.05579	2.8
131.03513	6.4
133.02959	3.3
143.03529	3.9
161.02426	2.2
161.04568	46.6
162.04883	1.1
180.39844	0.8
180.56313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
59.01375	1.2
62.24251	0.4
69.34001	2.5
71.01380	1.0
73.02927	0.4
80.62066	0.3
85.02966	1.3
91.01898	1.2
93.03468	3.7
101.02457	1.3
107.05025	0.3
117.03474	0.8
119.05042	100.0
120.05379	2.6
130.84918	0.3
135.00883	0.7
135.04553	0.6
150.75087	0.3
155.27339	0.4
162.83936	0.7
162.89340	1.2
163.00415	2.0
163.04031	12.5
163.06104	2.9
163.07347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1029
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
59.01397	0.9
65.35619	0.4
66.81627	0.4
69.26504	3.7
69.87186	0.4
71.01385	0.7
73.02962	1.5
75.25171	0.4
76.56941	0.3
87.00899	0.9
96.96000	0.3
97.06594	0.7
111.00921	0.6
111.08190	0.8
113.09743	24.7
129.01970	1.2
141.09213	2.6
157.08701	1.3
159.03003	1.1
159.10286	100.0
160.10603	3.3
168.37640	0.4
176.16786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36250	0.3
55.01875	1.4
57.03462	3.1
58.00597	0.8
59.01384	11.9
69.03455	1.3
70.87354	0.7
71.01389	11.7
71.01782	0.6
72.99309	2.9
73.02950	9.1
75.00885	1.8
77.03961	1.3
81.03464	1.6
83.01402	3.6
85.02960	15.1
87.00893	3.3
89.02470	3.2
89.03976	1.0
95.01397	0.5
95.05030	0.5
97.02955	1.3
99.00900	1.1
99.04518	1.3
101.02446	2.9
104.02666	0.6
105.03464	2.5
113.02463	2.1
115.01858	1.6
115.04044	0.4
116.92858	0.5
117.03497	0.9
117.05493	0.6
118.68634	0.3
123.04552	0.7
125.02460	0.9
126.63023	0.3
129.01959	0.4
131.03525	5.2
131.56113	0.3
132.02180	10.9
133.02968	100.0
134.03308	2.8
146.03784	0.5
160.89279	1.6
161.02458	63.7
161.04483	12.8
161.08212	1.4
161.89404	0.7
162.01895	1.0
162.02878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0871
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
53.45878	0.7
57.03455	11.7
59.01110	0.7
59.01379	4.7
63.16008	0.6
65.21921	0.6
68.99822	1.4
69.03471	6.3
71.01382	1.9
74.85950	0.7
75.00874	0.8
83.05045	0.8
84.99311	6.6
85.02951	1.3
85.06583	1.7
95.05013	4.9
97.06594	29.1
98.06926	0.8
99.00898	2.2
99.31429	0.7
108.66244	0.7
111.00919	0.7
111.08173	5.8
112.71550	0.7
112.92278	1.0
113.06103	2.1
113.09737	20.4
115.00365	0.9
117.89547	0.7
126.99620	1.0
127.00407	10.1
130.32518	0.7
139.00427	0.8
139.07663	22.9
140.08096	0.8
153.36552	0.9
156.89508	3.2
156.96973	1.0
157.01421	2.4
157.08710	100.0
157.12303	8.2
158.09206	1.3
179.77032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1235
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
59.01386	1.7
68.99810	0.4
69.42572	0.8
69.42995	1.2
84.99309	1.7
87.18510	0.2
96.96032	1.4
114.93459	0.3
127.00379	1.4
139.11252	0.4
156.86607	0.7
156.89470	0.8
157.12344	100.0
157.86288	0.6
158.12695	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	159.0664
Annotation	3-Methyladipic acid
Peak:m/z	Relative Intensity
57.03446	0.9
58.53711	0.3
59.01381	1.5
63.80137	0.3
68.99817	0.5
69.03470	2.0
69.89059	1.5
71.01386	2.0
73.02962	3.7
75.12613	0.3
81.03487	0.7
83.01379	0.8
83.05036	1.2
85.02952	1.4
87.00880	1.4
87.17458	0.3
93.03452	0.4
95.05041	21.4
96.05387	0.6
97.02978	0.8
97.06601	100.0
98.06933	2.2
98.19879	0.4
99.00880	1.3
99.92590	1.6
101.02464	1.5
111.00894	2.3
113.02468	0.9
114.94939	0.7
115.07664	30.5
116.05078	0.4
116.07979	0.3
116.92873	4.2
129.01961	1.8
141.01984	0.4
141.05585	2.8
158.84669	0.7
158.89317	1.1
159.03053	3.2
159.04477	0.9
159.06644	27.3
159.10287	0.9
159.89377	1.0
160.03984	0.4
160.07022	0.6
164.29863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	4-Hydroxynonenal
Peak:m/z	Relative Intensity
55.01883	8.9
57.03440	0.8
57.48290	0.8
67.01897	1.9
71.01379	1.6
71.05028	3.4
71.57127	1.2
71.57515	1.1
73.02954	33.1
81.03455	1.5
83.01379	6.7
83.05032	2.7
84.00957	1.3
84.04523	1.5
85.02978	1.3
93.03495	1.5
95.01395	0.9
95.05049	1.2
96.96026	2.0
97.06593	15.3
99.04514	1.6
99.08171	4.0
109.02960	1.0
111.00878	3.9
111.04553	5.9
111.08170	3.6
112.05317	28.4
113.05564	0.9
114.05624	3.7
115.07655	18.5
123.00928	0.9
127.00404	4.2
127.11304	21.7
137.02434	2.7
140.01146	6.8
140.36436	0.8
154.99875	2.9
155.03595	3.8
155.07132	2.4
155.10789	100.0
155.86592	1.1
156.06709	1.7
156.11099	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.56413	0.4
55.15536	0.3
57.03449	0.9
59.01381	2.4
68.99816	0.9
69.03460	0.6
71.01398	1.3
71.05022	0.8
75.00856	0.5
77.60378	0.3
83.01395	0.6
84.99329	2.3
85.02950	0.9
85.06596	0.4
87.00876	1.3
95.05038	0.6
95.68612	0.4
96.96022	0.5
98.20652	1.3
99.00900	1.6
100.32449	0.4
111.00903	0.6
111.08169	1.4
112.92209	0.5
113.06102	100.0
113.09753	1.1
114.06406	2.2
115.00387	0.7
127.00394	6.8
128.97310	0.4
139.00377	0.5
139.07648	0.8
146.02524	0.4
156.89490	2.9
156.96982	0.4
157.01459	1.5
157.05083	9.5
157.08704	8.2
157.12347	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	157.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51817	0.4
55.41025	0.4
57.03453	0.9
59.01383	2.0
62.96827	0.4
65.25430	0.4
68.99820	0.6
69.03458	0.7
71.01388	1.5
71.05035	2.3
74.74292	0.4
75.00860	0.5
83.01452	0.4
84.99310	2.5
85.02959	0.8
85.06594	0.5
87.00880	0.9
95.05044	0.4
97.02951	0.5
97.93174	0.5
99.00882	1.2
111.00900	0.8
111.08175	1.4
112.92196	0.5
113.06098	100.0
113.09727	1.2
114.06440	2.0
114.93401	0.8
115.00313	0.6
127.00386	6.4
139.00352	0.8
139.07661	1.1
142.35301	0.4
156.89510	3.1
157.01497	0.9
157.05089	9.3
157.08691	5.6
157.12366	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	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
50.45186	2.1
55.01872	8.0
55.51801	1.6
59.01381	2.8
67.01901	4.1
68.99802	2.0
70.56330	4.3
70.56727	3.6
71.01394	2.3
73.02956	1.9
76.66355	1.9
78.95929	3.7
83.01389	17.7
83.05022	3.9
84.02208	1.9
84.04565	4.2
85.02938	2.6
93.03461	1.8
95.01379	5.0
96.96014	58.6
96.96984	5.0
104.57902	1.9
107.06168	1.8
109.02953	2.4
111.00897	6.9
111.04514	14.0
111.08191	4.4
112.00370	2.2
112.92294	2.6
113.02439	2.3
114.05621	8.7
125.04446	1.9
127.00391	7.9
137.02460	8.6
140.01143	11.6
140.04399	3.5
154.86862	10.7
154.90643	7.4
154.99904	8.4
155.02522	3.3
155.03534	6.5
155.07124	2.4
155.10791	100.0
155.14403	4.9
155.86577	59.7
156.06641	4.0
156.11098	3.6
156.13878	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	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
57.30368	1.4
59.01384	17.4
69.03455	1.8
69.69130	8.9
71.01392	30.9
72.99303	3.0
73.02955	28.7
75.00883	12.0
85.02953	3.1
87.00885	12.4
89.02454	100.0
90.02805	2.8
101.02478	1.6
103.04017	9.8
121.02979	1.8
131.03517	10.8
139.09259	1.3
149.04572	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.02408	0.2
55.01855	0.1
59.01393	0.5
60.04960	0.2
64.90021	0.1
66.03490	2.0
66.63949	0.1
69.03480	0.2
69.55545	0.9
69.55922	0.3
71.01400	0.5
73.02982	0.2
79.01917	0.2
86.64204	0.1
89.02448	0.3
92.02715	0.2
95.01382	1.3
97.02956	0.2
98.20625	0.3
101.02465	0.2
107.05051	0.3
108.02185	5.8
109.03004	0.3
123.00935	0.2
123.04540	0.5
131.88103	0.2
136.01674	100.0
137.02002	2.9
146.96878	0.2
151.04021	8.6
152.04454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01891	5.9
61.98820	1.9
65.03981	1.5
66.03499	11.5
67.03830	4.1
69.03448	2.9
70.09975	4.3
71.05030	22.4
72.99304	1.0
80.02710	1.2
81.03452	6.7
81.18148	1.1
82.02995	2.0
83.01397	2.0
83.05031	3.9
91.12746	1.0
92.05077	3.0
97.02929	1.7
97.06589	1.0
98.19967	1.6
108.02195	9.9
109.02965	100.0
109.06611	2.3
110.00107	11.4
110.02543	1.6
110.03314	4.5
116.97127	1.0
123.00837	1.5
123.04579	8.7
123.08173	1.2
124.04064	5.1
125.02463	7.0
125.09769	1.4
135.04539	4.7
136.04022	3.1
137.99617	14.2
138.03310	1.5
151.00395	1.8
151.11327	5.7
152.91766	1.9
153.01965	31.2
153.03149	1.7
153.03899	1.3
153.05588	4.8
153.09238	1.9
153.12874	47.4
153.86885	2.2
154.01456	2.8
154.05130	2.9
154.13234	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	147.0301
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
52.01408	3.9
57.03451	17.2
57.54429	4.0
59.01401	18.8
64.09361	4.3
69.66177	14.2
69.66589	7.7
69.67807	3.7
71.01389	100.0
72.01745	4.5
75.00878	6.3
78.98676	3.5
85.02951	41.7
87.00880	65.8
90.70235	3.7
90.85352	3.3
98.20602	6.3
99.00847	5.3
101.02423	5.7
101.90874	3.8
103.04027	16.4
115.00388	76.0
121.32672	3.8
129.01970	17.5
147.03006	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	148.077
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
51.21299	3.9
53.03405	3.2
55.78221	3.1
58.44706	3.7
59.01373	3.8
61.27267	3.5
63.34842	4.0
66.50205	3.5
70.73057	3.3
70.95687	5.0
70.96001	5.4
71.01379	10.3
72.52921	3.5
72.99322	4.3
73.02962	3.8
83.93067	4.2
89.02447	27.0
92.05093	6.0
93.03461	9.5
94.99305	10.3
104.05070	6.0
104.97752	6.8
106.04082	3.4
120.04508	3.6
121.02969	67.4
130.06628	4.7
132.04541	9.4
134.03783	5.0
148.04053	9.7
148.07695	100.0
149.02415	28.6
149.04512	8.6
149.06097	7.3
149.08119	4.6
150.13878	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48034	1.1
55.72768	1.0
59.01384	11.8
63.60791	1.0
69.03465	3.9
71.01390	35.8
71.54242	1.3
72.99319	3.2
73.02955	27.8
75.00880	10.3
87.00885	12.6
89.02454	100.0
90.02794	1.5
101.02465	2.5
103.04026	9.9
121.03046	1.3
131.03564	5.6
149.03377	2.1
149.04562	37.6
149.90082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
51.34390	1.1
55.01871	1.7
59.01388	16.0
69.03459	2.4
70.70470	4.5
71.01388	31.5
72.61071	1.2
72.99324	3.3
73.02956	28.3
75.00877	14.3
83.01443	1.6
85.02974	3.9
87.00886	11.3
87.78224	1.6
89.02453	100.0
101.02415	2.2
103.04022	8.4
131.03502	10.1
149.04584	48.4
149.20085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01408	3.9
57.03451	17.2
57.54429	4.0
59.01401	18.8
64.09361	4.3
69.66177	14.2
69.66589	7.7
69.67807	3.7
71.01389	100.0
72.01745	4.5
75.00878	6.3
78.98676	3.5
85.02951	41.7
87.00880	65.8
90.70235	3.7
90.85352	3.3
98.20602	6.3
99.00847	5.3
101.02423	5.7
101.90874	3.8
103.04027	16.4
115.00388	76.0
121.32672	3.8
129.01970	17.5
147.03006	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	145.0144
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
50.84684	12.8
57.03450	33.2
58.96158	15.3
63.06065	15.4
70.02664	31.5
70.03052	29.7
73.02943	25.6
101.02428	100.0
102.05631	31.0
117.77318	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	145.0144
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03453	34.3
69.49582	39.6
69.49973	10.7
71.01398	10.1
73.02948	30.4
73.21953	7.4
75.06950	6.3
79.67418	6.6
83.01389	8.4
101.02451	100.0
115.00414	8.3
144.96480	99.0
145.01431	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	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
64.50778	1.5
71.56533	1.5
83.05034	2.0
97.06635	2.2
99.08171	95.4
100.08495	2.7
109.06593	2.2
117.03458	3.6
118.03051	1.5
127.00356	1.6
127.07654	2.0
130.04242	1.2
133.32616	1.3
133.33711	1.3
143.07170	3.2
145.02998	2.6
145.05060	2.6
145.08723	100.0
146.02473	4.4
146.09059	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.71611	0.4
57.03444	0.6
69.58997	3.3
71.05043	0.5
72.99336	0.5
83.05040	0.6
96.87400	0.5
97.06605	1.5
98.20657	0.6
99.08168	100.0
99.45911	0.4
100.08490	3.2
101.06110	1.0
127.07639	2.7
127.46856	0.5
143.07083	1.1
144.96507	0.5
145.04994	0.6
145.08716	33.9
146.02498	2.8
146.09058	1.5
159.29099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
58.23291	0.6
59.01383	1.4
64.31178	0.6
70.34502	1.8
71.01387	4.6
74.02481	0.8
82.03008	1.1
84.04564	0.7
85.02963	2.0
99.00900	3.5
101.02426	1.0
102.05617	100.0
103.05947	2.1
115.55156	0.6
117.93943	0.6
118.83595	0.6
128.03554	38.6
129.03903	1.3
140.90979	0.6
146.04605	15.2
153.70706	0.7
159.96959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.38354	0.4
62.74481	0.3
67.01904	0.4
83.01371	0.4
89.34342	0.3
94.03788	0.5
95.01412	0.3
108.02185	74.9
109.02518	3.2
111.00895	1.2
138.01984	100.0
139.00476	0.7
139.02321	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	139.1131
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
55.01878	24.0
55.86601	5.8
62.12931	6.6
62.80819	6.7
66.93610	6.2
67.01912	8.9
69.03448	10.3
70.59440	7.5
70.59766	14.7
71.05033	81.2
71.83654	6.7
78.49900	6.4
78.90196	7.6
111.00905	49.4
137.09753	13.8
138.86020	10.7
139.00397	25.5
139.04018	10.2
139.11299	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	23.3
55.01876	8.9
58.21653	3.5
59.01375	14.5
68.99829	7.1
69.03463	4.6
70.02177	9.2
70.02567	7.2
71.01389	62.7
78.49569	4.1
80.99831	5.6
85.02985	8.6
87.00888	16.4
96.99316	24.3
97.02955	6.1
99.00928	3.9
99.04545	6.2
107.53185	3.7
112.98842	29.6
115.00413	5.5
124.98808	68.7
125.02402	5.2
140.98322	9.3
142.99876	100.0
143.03508	5.5
144.06706	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	21.8
59.01379	5.1
68.99811	6.6
69.15661	3.2
70.11289	8.9
71.01389	47.8
72.99307	3.1
80.99828	3.8
87.00878	10.1
96.99325	25.3
112.98822	33.4
115.00391	4.5
124.98814	57.8
128.03273	3.0
140.98344	11.5
142.99879	100.0
158.99588	2.6
164.86026	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	142.9987
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00312	19.0
53.82735	4.6
55.01871	6.2
59.01384	10.1
59.78296	5.2
68.99821	9.0
70.48929	13.5
71.01389	59.3
75.77052	4.0
76.14905	4.3
87.00860	10.3
94.28873	5.1
96.99307	30.8
112.98801	30.8
115.00411	8.2
124.98820	63.9
140.98257	10.3
142.99872	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	143.1079
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
53.10091	3.0
68.57377	2.5
69.97035	12.6
71.01381	5.7
92.58341	2.5
97.02945	3.4
102.42734	2.9
102.77651	2.6
137.45015	2.9
143.10788	100.0
144.11156	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	135.0454
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
57.17483	0.7
59.01408	0.7
66.36532	0.6
71.01380	1.3
79.05514	0.8
81.02207	1.4
85.02958	2.7
89.03957	0.9
91.05564	2.1
93.03470	2.4
99.92599	2.3
102.01685	0.7
106.04247	2.4
107.05035	8.4
108.02182	1.9
117.03460	1.2
123.04520	0.7
134.03751	16.9
134.86580	6.7
134.89484	38.5
135.04536	100.0
135.89465	3.5
136.04037	1.1
136.04887	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	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
51.39180	2.4
51.56754	2.5
68.99809	2.1
69.03497	2.4
69.86697	2.1
81.02206	7.2
85.46340	2.0
89.30300	2.8
92.02708	3.5
92.05076	4.3
93.03467	45.9
94.03794	5.4
95.01388	16.5
99.23591	2.3
99.92593	3.0
108.02184	100.0
109.03049	2.8
109.30907	2.3
110.21717	2.1
123.00876	2.5
135.89517	10.6
136.01677	88.8
136.04863	24.6
136.86273	20.5
136.89203	23.6
137.02466	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	137.0246
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.66732	0.5
55.38706	0.4
65.03960	1.3
71.10927	0.9
72.79095	0.3
73.22702	0.3
73.53728	0.4
80.60825	0.3
81.03471	4.1
86.43953	0.4
90.77285	0.4
91.01898	1.3
93.03466	26.6
94.03810	1.3
107.89098	0.3
108.02184	6.7
109.02987	4.0
118.51474	0.4
119.01390	1.7
123.35726	0.4
131.11391	0.4
135.24834	0.5
136.01680	13.1
136.89189	1.4
137.02458	100.0
138.01936	0.5
138.02808	4.8
152.24698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
53.35245	0.3
65.03978	0.5
71.12749	0.5
71.80418	0.3
85.72762	0.2
89.58264	0.3
92.02605	0.3
93.03465	100.0
94.03795	3.7
95.65683	0.2
111.11387	0.2
120.75182	0.2
136.86322	0.3
136.89169	0.4
137.02455	15.8
138.02794	0.9
153.78278	0.3
155.13437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01383	11.0
59.25274	0.7
69.64661	1.4
69.65067	2.4
71.01383	5.9
72.99313	16.6
73.02945	1.4
75.00877	100.0
76.01212	2.0
87.00887	19.9
89.02450	7.9
107.05011	0.7
109.35329	0.6
117.01934	3.3
134.91602	2.5
135.03012	30.7
135.04536	4.7
135.18835	0.6
136.03308	0.9
149.14676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
59.25274	0.7
69.64661	1.4
69.65067	2.4
71.01383	5.9
72.99313	16.6
73.02945	1.4
75.00877	100.0
76.01212	2.0
87.00887	19.9
89.02450	7.9
107.05011	0.7
109.35329	0.6
117.01934	3.3
134.91602	2.5
135.03012	30.7
135.04536	4.7
135.18835	0.6
136.03308	0.9
149.14676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20433	1.2
59.01387	1.7
70.66016	2.2
71.01385	76.5
72.01725	1.5
72.99313	19.9
87.00896	1.6
89.02460	8.8
115.00381	100.0
116.00723	2.9
133.01436	24.1
153.23894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01400	1.3
71.01387	72.9
71.20567	0.9
71.20901	1.3
72.01736	1.8
72.99311	19.8
73.74732	0.8
87.00876	1.8
89.02451	7.7
115.00387	100.0
116.00729	1.9
133.01453	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.03465	1.6
59.01386	2.1
65.00324	2.1
71.01009	3.1
71.01390	47.1
71.04436	2.9
72.99312	11.6
77.03979	12.7
87.00886	10.2
87.04550	2.5
89.02439	5.5
89.03970	2.8
93.03437	3.9
95.05027	17.8
104.02693	2.1
105.03472	38.7
106.03750	1.4
107.03636	2.9
111.52474	1.5
115.00388	55.6
115.01804	2.9
117.70048	1.5
121.02950	3.4
123.04532	3.2
127.97042	1.4
132.02190	17.7
132.86786	12.7
132.90012	10.3
133.01500	11.5
133.02969	100.0
133.05070	13.1
134.02457	3.2
134.03386	4.8
134.04709	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	135.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27237	0.5
54.95760	0.6
59.01371	0.5
61.97878	0.5
62.44033	0.4
65.00327	9.2
67.01900	0.9
69.40609	2.4
69.41035	1.9
69.55940	0.6
71.01377	0.8
73.02910	0.6
75.00864	0.8
79.01910	0.6
80.02567	0.6
81.02211	0.8
85.02960	2.1
91.01904	98.4
92.02241	3.3
92.10720	0.6
93.03466	1.2
98.19878	1.0
99.92591	7.0
100.92617	0.6
106.04253	0.7
106.70939	0.6
107.01396	1.6
107.05062	1.7
110.68954	0.6
117.03487	1.2
123.15105	0.5
134.03760	8.4
134.86574	22.4
134.89487	100.0
135.00905	9.4
135.04541	40.9
135.89490	8.7
136.04877	2.0
153.01897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01367	0.9
65.03957	0.8
69.23627	7.6
71.01385	0.8
80.30480	0.8
93.03475	5.2
101.92419	3.1
101.93035	0.9
104.02744	0.8
105.50958	0.8
117.03452	1.2
118.92641	6.8
118.93465	1.2
118.94125	1.0
119.05040	100.0
119.54927	0.7
120.05367	6.3
130.45178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.88820	0.2
69.57320	1.7
71.73181	0.3
72.62772	0.3
90.17237	0.2
91.01943	1.1
92.02708	0.4
93.03456	2.7
94.03004	0.7
95.01431	0.8
108.02188	3.2
121.02965	100.0
122.02493	0.4
122.03295	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.38699	0.8
66.03503	1.8
69.31624	7.6
88.96935	0.8
89.38824	0.8
91.47760	0.8
93.03469	6.2
94.02988	7.6
108.02204	2.6
121.02967	100.0
122.02468	4.9
122.03328	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Mesaconate
Peak:m/z	Relative Intensity
51.57102	2.8
52.00931	2.4
55.01879	3.3
57.03446	10.2
67.01894	15.0
70.19798	4.6
70.20177	5.1
71.01376	3.7
72.99316	2.7
74.21385	2.6
79.58178	2.4
85.02963	100.0
85.03477	5.8
88.04056	25.1
98.20631	3.0
101.02441	5.1
103.17012	2.6
111.00874	3.4
126.19394	2.4
129.01962	16.2
129.60461	2.3
133.15862	2.3
142.84254	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80635	1.6
55.01881	3.7
57.03457	9.2
58.29390	1.6
60.54087	1.5
65.00447	1.6
67.01899	22.0
68.99848	1.9
69.60307	11.7
71.01387	3.0
72.99291	1.8
83.01405	2.0
85.02959	100.0
86.03297	3.4
88.04058	18.6
90.29001	1.7
98.20695	3.2
101.02451	6.8
128.90175	9.4
129.01953	15.0
129.03922	2.7
130.05119	2.2
130.08737	7.6
148.76509	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	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
59.01360	1.1
69.86218	2.6
69.86620	4.1
71.01381	3.3
71.72427	1.2
72.30594	1.1
73.02933	3.7
84.08173	1.4
85.02951	6.3
87.04518	9.4
88.04055	5.3
90.07101	1.3
125.48446	1.3
126.01125	1.2
130.08752	100.0
131.03476	3.2
131.09085	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
53.77927	0.4
55.01877	1.3
60.43605	0.4
68.18604	0.4
69.46088	3.2
71.01386	1.0
73.02953	100.0
73.68990	0.3
74.03290	2.6
75.88763	0.4
89.04559	0.4
99.00893	8.3
99.92593	2.1
100.92640	0.4
109.67825	0.4
113.74270	0.3
116.92873	6.4
117.01952	12.8
117.92832	0.4
125.24764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.7781
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01445	0.1
83.05048	0.1
85.02966	0.2
87.00901	0.1
97.02975	0.3
99.00883	0.1
101.02454	0.4
109.06603	1.4
111.00908	0.1
113.02468	0.3
120.72128	0.1
135.08131	0.1
142.02724	0.1
145.05054	0.2
155.08073	0.1
161.04575	0.3
163.11298	1.1
181.12329	0.1
189.09267	0.6
207.10277	8.3
208.10600	0.3
209.11865	0.3
225.11334	2.3
227.29237	0.1
235.08235	1.3
243.12395	0.1
253.09319	1.9
254.09601	0.1
255.23294	0.2
256.23755	0.1
263.13007	0.1
277.21744	16.6
278.22079	0.8
383.29434	0.1
393.31659	0.3
411.32663	0.3
425.17972	0.1
441.33850	0.2
442.33658	0.1
443.19180	1.0
455.35345	100.0
456.35690	8.8
458.21405	0.1
461.20251	0.8
467.31659	0.1
513.30719	1.2
703.40869	1.1
721.41742	11.7
722.41937	1.2
850.83575	0.1
1060.30713	0.1
1122.21313	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	1187.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19769	0.4
112.00420	0.2
112.98579	100.0
113.02470	2.2
113.98917	0.6
169.67877	0.2
170.90906	0.2
230.48093	0.2
348.36469	0.2
428.58316	0.2
471.34677	0.2
749.44629	0.5
911.49908	2.3
912.50854	1.0
913.51605	0.2
1174.42639	0.3
1187.53699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
86.85117	0.2
91.37381	0.1
108.12187	0.2
112.00412	0.2
112.98580	100.0
113.02412	1.5
113.98904	0.7
129.71217	0.2
134.75854	0.2
180.47804	0.2
191.05484	0.2
257.68674	0.2
305.22906	0.2
471.34769	0.2
749.44800	0.6
750.45551	0.2
911.50031	2.2
911.99316	0.2
912.50452	1.0
913.50616	0.3
1187.54895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5495
Annotation	Unknow
Peak:m/z	Relative Intensity
84.95128	0.2
85.02969	0.2
87.00886	6.6
88.00407	3.5
88.00958	0.2
88.01231	0.6
88.98813	100.0
89.02448	9.6
89.99143	0.6
95.11201	0.2
96.74856	0.2
101.02444	0.5
113.02437	0.3
128.80945	0.2
182.13670	0.2
183.20856	0.2
191.05765	0.3
191.50105	0.2
253.96500	0.2
262.67386	0.2
289.35086	0.2
453.33392	0.2
471.34988	0.7
585.37292	0.2
603.39484	0.2
749.44885	2.0
750.45789	0.5
911.50134	15.3
912.50391	5.3
913.50720	2.4
1163.58191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01392	1.8
85.02962	6.9
86.00109	0.3
87.00875	0.8
87.04524	0.2
89.02454	7.1
95.01393	1.3
96.96023	0.4
97.02972	0.5
99.00886	0.9
99.92612	0.1
101.02455	10.9
102.02801	0.2
103.04021	0.6
109.02949	0.2
111.00905	0.2
112.01698	0.3
113.02457	5.8
114.02737	0.1
116.92867	0.7
118.94276	0.1
119.03511	2.7
124.81892	0.1
125.02431	0.1
127.04053	0.1
131.03522	4.5
132.03842	0.1
135.52296	0.1
137.02550	0.1
143.03510	0.5
145.05116	0.2
147.21623	0.1
150.03250	0.1
159.02922	0.3
161.04524	0.9
163.06186	0.1
165.01897	0.1
173.99361	0.1
178.35860	0.1
179.05595	0.6
191.05598	0.3
306.96729	0.1
340.45230	0.1
391.26468	0.5
391.31482	0.1
395.25955	0.5
397.27481	0.5
403.30020	0.5
419.29611	0.2
421.31152	27.0
422.31461	2.4
439.31964	0.2
475.32126	0.5
493.33319	0.1
499.29416	0.1
517.33270	0.7
518.33240	0.2
527.30634	0.2
529.32288	0.1
535.34314	2.1
536.34753	0.2
553.35376	10.8
554.35828	1.1
571.36060	0.1
597.34607	0.2
673.36383	0.2
699.41156	9.7
700.41443	1.1
715.40723	0.8
716.40857	0.2
717.41980	0.4
761.41302	0.4
861.46423	12.6
862.46808	1.5
879.47345	1.1
880.47253	0.2
897.49744	0.1
923.46637	2.4
923.64417	0.2
924.46851	0.4
941.47662	4.5
942.48871	0.7
957.46594	0.9
958.45978	0.1
1023.51807	6.1
1024.51807	0.9
1041.52856	5.6
1041.75049	0.2
1042.52710	0.7
1059.54810	0.3
1103.52856	100.0
1104.53076	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	1161.7457
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05029	1.1
95.05011	0.4
101.02483	0.4
101.84918	0.3
123.08159	0.5
141.37683	0.4
149.09714	0.4
163.11269	1.0
165.12971	0.3
189.12871	0.8
191.14424	10.4
196.14786	0.3
205.12277	0.5
209.11838	25.0
210.12189	0.5
212.50116	0.4
227.12891	4.2
235.08180	2.0
253.09258	2.9
255.17572	1.2
273.18600	3.0
277.21729	33.3
278.22037	1.5
303.21198	0.4
313.21823	0.5
315.76428	0.4
339.23346	0.4
343.20520	0.6
357.22165	1.4
359.23804	3.6
360.90454	0.3
361.25421	1.2
373.25293	0.8
375.26871	1.8
377.28537	0.6
389.28491	1.5
391.30090	43.1
392.30362	3.5
393.31860	0.6
407.29401	1.3
419.65051	0.5
423.29147	2.0
425.30643	100.0
426.30966	7.4
435.29181	0.6
443.31705	3.3
445.20847	1.2
451.28937	0.4
467.28220	0.5
469.29614	19.7
470.30240	2.2
487.30704	1.4
500.48196	0.4
513.30597	1.3
577.43158	0.4
615.11688	0.3
723.45215	0.5
880.85205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95425	6.3
83.01398	1.3
84.00892	0.5
84.95127	10.9
85.02962	3.4
87.00887	0.5
89.02454	1.6
95.01387	0.6
97.02970	0.5
97.77061	0.2
98.07259	0.2
99.00888	0.3
101.01807	0.3
101.02454	4.9
103.04009	0.4
112.01647	0.3
113.02457	2.8
119.03494	0.6
125.02389	0.2
131.03502	1.9
143.03560	0.2
161.04547	0.3
191.05612	0.3
220.53760	0.2
223.25478	0.2
245.59158	0.2
259.07959	0.2
306.35419	0.2
394.26212	0.2
411.32562	0.3
427.35669	0.3
453.33817	2.4
454.34451	0.3
471.34833	6.9
472.35074	0.8
485.36493	0.3
543.37457	0.2
549.35718	0.3
567.36609	0.7
585.37946	2.4
586.38275	0.3
603.39075	4.7
604.39728	0.4
731.43591	1.4
747.45172	0.2
749.44824	25.6
750.45258	3.6
765.44202	1.6
791.45984	0.6
865.50354	0.3
893.49121	12.1
894.49072	1.6
911.50134	100.0
912.50482	16.6
913.50336	0.3
918.98291	0.2
953.51233	11.1
954.51294	1.5
957.45081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	12.9
81.95304	0.1
85.02971	0.1
93.03463	0.2
94.98106	0.2
95.97611	0.1
96.96023	100.0
96.96907	4.7
97.95972	0.2
98.95625	0.1
118.82097	0.1
133.80206	0.1
173.04640	0.1
191.05705	0.4
293.61353	0.1
351.12448	0.1
479.30505	0.1
529.20374	0.1
893.49969	0.3
894.49469	0.1
961.42731	0.2
1125.09851	0.1
1153.50061	1.3
1154.51208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95743	12.7
94.98080	0.2
95.97607	0.1
96.96019	100.0
96.96894	2.8
97.95963	0.2
163.26608	0.1
191.05701	0.1
236.16759	0.1
240.70432	0.1
241.41385	0.1
330.44492	0.1
449.28256	0.1
784.38513	0.1
785.57019	0.1
793.44348	0.1
794.44208	0.1
895.50531	0.1
896.51227	0.1
1155.52905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.6699
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02976	0.8
97.91288	0.3
101.02444	0.8
113.02429	0.5
120.04626	0.3
131.03554	0.4
179.14415	0.7
181.15997	25.7
182.16348	0.9
210.90208	0.4
225.14983	36.3
226.15341	1.0
243.16023	100.0
244.16367	3.1
321.00003	0.3
471.34744	1.4
585.38074	0.5
603.38782	1.0
643.78687	0.3
651.70807	0.4
703.99957	0.4
731.42859	0.4
749.45105	5.7
750.45190	0.7
765.43475	0.4
911.50098	15.2
912.50159	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	1159.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.1
82.95419	0.1
83.01006	0.1
83.01405	1.0
83.05027	0.1
84.95118	0.1
85.02961	3.6
85.62453	0.1
86.00114	0.5
87.00905	0.5
89.02456	1.9
92.02253	0.1
93.03463	0.2
95.01409	0.8
96.95977	0.3
97.02942	0.4
99.00856	0.4
99.04505	0.1
101.02457	4.3
103.03992	0.4
110.70054	0.1
112.01670	0.6
113.01757	0.2
113.02464	2.3
119.03496	0.6
125.02458	0.2
127.03992	0.2
131.03513	2.1
135.04529	0.1
143.03500	0.1
159.02898	0.1
161.04515	0.4
163.06114	0.1
173.04507	0.1
191.05580	0.3
202.52208	0.1
259.08334	0.1
406.01749	0.1
411.32706	0.5
425.33951	0.1
427.35767	0.2
453.33762	1.4
454.34052	0.1
469.33139	0.1
471.34830	9.1
472.35193	1.2
525.35583	0.4
527.11414	0.1
543.36713	0.3
549.36078	0.2
559.40051	0.1
567.36682	0.4
585.37994	3.4
586.38599	0.4
603.39093	5.7
604.39508	0.8
649.39233	0.8
650.39600	0.3
651.39795	0.2
689.42902	0.2
731.43890	1.5
732.44244	0.3
747.43207	0.2
749.44824	27.1
750.45178	3.9
765.44409	2.0
766.44873	0.2
791.45575	0.3
807.45660	0.1
893.49084	12.3
894.49664	2.2
911.50146	100.0
911.99402	4.5
912.50464	16.2
913.50708	0.2
932.50824	0.8
933.01215	0.8
935.51392	0.1
953.51172	9.2
954.51733	1.7
995.51129	0.1
1055.54309	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	1149.5712
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95763	0.1
83.01406	0.7
85.02959	3.0
87.00890	0.6
88.98827	0.2
89.02451	3.3
93.03462	0.6
95.01413	0.7
96.96015	1.0
97.02929	0.1
99.00911	0.4
99.92635	0.1
101.02455	3.1
103.91305	0.1
112.01655	0.1
113.02467	3.1
115.53496	0.1
116.92847	0.2
119.03511	0.6
130.63519	0.1
131.03496	1.2
135.04570	0.2
143.03497	0.3
148.40593	0.1
149.04547	0.4
159.03027	0.1
161.02498	0.1
161.04581	0.3
173.04568	0.3
179.03517	0.2
179.05603	0.2
191.05634	0.7
205.07159	0.2
223.72993	0.1
282.49750	0.1
393.31778	0.2
405.31506	0.2
411.32666	0.4
416.14777	0.1
421.30966	0.3
427.32129	0.2
435.29037	0.1
437.30511	0.6
439.32190	1.3
440.32608	0.2
443.35489	0.2
449.14819	0.3
453.29919	0.1
455.31641	0.6
469.33658	1.3
471.34793	0.5
481.17160	0.2
485.32880	0.5
487.34415	7.4
488.34998	0.7
531.33008	0.2
541.35443	0.4
555.02399	0.2
583.36633	1.0
584.37146	0.2
601.37476	3.6
602.37823	0.4
619.38568	6.2
620.39368	0.9
747.43317	1.9
748.44189	0.3
765.44366	17.8
766.44702	2.4
781.43921	3.5
782.44446	0.5
911.50415	2.7
912.50061	0.4
927.49634	100.0
928.49957	14.8
1089.58423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
60.69175	2.1
71.01391	100.0
71.28923	4.8
83.82187	1.9
104.26246	2.0
115.00375	8.3
127.80456	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01377	3.3
61.71015	3.1
69.69720	11.8
69.70117	5.6
71.01390	100.0
78.22149	2.1
90.25469	2.2
95.10007	2.4
98.19951	4.8
103.63539	2.4
114.93414	3.4
115.00388	7.8
115.92107	5.5
123.51102	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	1149.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01407	1.9
85.02955	8.4
86.00103	0.3
87.00898	0.6
89.02454	8.2
93.03474	0.6
95.01392	1.8
96.96021	1.4
97.02965	0.4
97.06624	0.3
99.00892	1.1
99.92599	1.1
101.02452	14.5
103.04024	1.1
112.01692	0.7
113.02468	7.0
116.92873	3.6
117.92865	0.6
119.03503	3.2
122.65713	0.4
131.03506	7.5
134.03746	0.6
135.04485	0.3
161.04535	1.4
173.04498	0.9
178.36165	0.4
179.05655	0.7
191.05620	1.3
193.05045	0.9
236.87245	0.3
315.97787	0.3
367.10324	0.8
369.28046	2.0
375.24286	0.4
405.02750	0.4
417.25040	1.1
425.34229	1.4
469.33319	1.3
501.32684	0.7
557.38495	0.9
601.37598	0.8
631.38269	0.4
647.37964	0.9
666.68414	0.4
679.36676	0.7
686.40765	0.4
687.35803	0.4
703.44232	2.9
747.43372	4.6
865.49512	5.5
866.50128	0.9
909.48578	33.8
910.49158	4.6
925.48126	0.5
927.49518	9.2
928.50085	0.6
1089.54944	100.0
1090.55286	16.2
1140.40063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	1.0
85.02953	4.1
86.00103	0.1
87.00886	0.5
89.02451	3.2
93.03468	0.3
95.01399	0.9
96.96030	0.4
97.02959	0.2
99.00887	0.4
101.02451	5.3
102.02792	0.1
112.01659	0.3
113.02459	3.5
116.92873	0.3
119.03488	0.9
127.04042	0.1
129.01961	0.1
131.03513	3.3
135.04532	0.1
137.02412	0.2
142.20128	0.1
143.03561	0.2
149.04549	0.3
159.03174	0.1
161.04559	0.4
163.06172	0.2
163.07597	0.2
171.66202	0.1
179.05582	0.2
187.89432	0.1
191.05664	0.4
205.06938	0.1
220.47871	0.1
336.91235	0.1
405.32104	0.2
409.31671	0.2
411.32703	0.3
421.31314	0.2
423.32864	0.2
435.29330	0.1
437.30798	0.5
439.32294	0.8
441.33575	0.2
443.35275	0.4
455.31659	0.4
469.33444	1.6
485.32846	0.6
487.34384	6.3
488.34882	0.7
541.35028	0.2
557.38354	0.4
575.39709	0.2
583.36737	0.7
601.37421	3.3
602.37854	0.4
619.38531	4.7
620.38715	0.7
703.44360	2.5
704.45538	0.2
719.43945	0.3
747.42896	1.3
765.44287	11.8
766.44751	1.6
781.43842	2.2
782.44061	0.3
865.49640	11.4
866.49829	1.8
883.50671	0.5
909.47809	0.2
927.49622	100.0
928.50012	14.3
969.50397	1.0
1073.56299	0.3
1089.54919	0.2
1150.06348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	1.2
85.02456	0.2
85.02956	3.6
85.03470	0.2
85.16503	0.1
86.00093	0.3
87.00881	0.3
89.02450	1.9
90.49580	0.1
93.03484	0.2
95.01412	0.6
96.96009	0.1
97.02950	0.4
97.84845	0.1
98.19913	0.2
99.00867	0.4
100.54562	0.1
101.01801	0.2
101.02451	4.5
102.02785	0.1
112.01663	0.4
113.02457	2.4
116.92873	0.1
119.00437	0.1
119.03547	0.7
131.02554	0.2
131.03510	3.3
135.04567	0.1
136.18304	0.1
159.03020	0.2
161.04556	0.4
173.04526	0.2
173.66275	0.1
179.05606	0.1
181.05043	0.1
184.09123	0.1
191.05597	0.2
193.05005	0.2
295.31262	0.1
353.28375	0.1
367.09393	0.1
369.28024	0.3
371.29651	0.2
373.27444	0.3
403.29938	0.2
405.31531	0.4
409.31039	0.2
415.28537	1.8
416.28979	0.2
417.15540	0.1
425.34235	0.3
437.30774	0.1
439.32269	0.2
443.35294	0.1
469.33401	1.0
487.34369	1.5
501.32306	0.2
503.34521	0.3
529.13477	0.2
529.31641	0.7
539.37280	0.5
547.32819	1.2
548.32654	0.2
557.38525	0.2
583.35773	0.1
601.37762	0.9
619.38739	0.9
647.38110	0.2
649.39862	0.2
675.37537	0.4
677.50012	0.4
678.51483	0.1
685.42889	0.7
693.38574	5.2
694.38330	0.6
703.44458	0.4
709.38000	0.8
710.38458	0.1
747.43384	1.5
765.44275	5.4
766.44775	0.8
781.43884	0.8
847.49091	0.1
848.49567	0.1
855.43927	2.1
909.48480	3.2
910.49072	0.5
927.49597	100.0
928.49915	14.1
969.50562	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	1149.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.7
85.02956	4.5
86.00111	0.3
87.00860	0.4
89.02451	2.5
93.03461	0.1
95.01390	0.7
96.96001	0.6
97.02969	0.2
98.20666	0.3
99.00864	0.4
101.02448	7.1
109.82209	0.1
112.01678	0.2
113.02454	2.8
116.70637	0.1
116.92850	0.3
119.03497	0.9
125.02428	0.1
126.94443	0.1
127.04021	0.2
129.00040	0.1
129.89995	0.1
131.03511	5.1
133.03123	0.1
143.03540	0.3
161.04564	0.5
162.91287	0.1
169.89284	0.1
170.44679	0.1
173.04512	0.3
176.30566	0.2
191.05615	0.4
369.27853	0.3
371.29572	0.5
415.28540	4.0
416.28955	0.3
423.32837	1.2
425.34726	0.3
469.33157	0.6
503.33777	0.4
511.30533	0.2
529.31744	1.6
547.32874	2.4
548.33337	0.2
555.36578	0.3
557.38306	0.7
601.37616	0.2
603.84222	0.2
619.69934	0.1
640.43158	0.2
649.39539	0.2
675.37720	0.8
693.38519	5.5
694.38611	0.7
701.42773	0.2
703.44299	1.6
709.38251	1.5
747.43250	0.6
748.43329	0.2
765.44434	2.4
766.44360	0.3
781.42871	0.2
855.43884	5.1
856.43622	0.6
865.49579	5.6
866.49994	0.7
883.50653	0.2
909.48260	1.5
910.48938	0.3
911.50873	0.3
927.49609	100.0
928.49927	13.6
969.51239	0.7
1073.55066	0.3
1089.55737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01351	0.3
85.02960	1.4
86.42422	0.3
88.98787	0.4
89.02489	0.6
101.02444	1.6
101.60552	0.3
101.92713	0.3
106.61974	0.3
113.02448	0.9
119.03527	0.4
121.56342	0.3
131.03499	0.9
173.09750	0.3
453.33511	0.6
471.34811	4.8
472.35211	0.5
585.38068	1.3
603.39148	3.1
604.39642	0.7
703.44165	0.7
716.14746	0.3
731.44067	1.0
749.44794	17.4
750.45361	2.3
765.44482	2.0
911.50183	100.0
912.50519	15.7
913.51257	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	1149.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
79.82271	0.2
83.01402	1.4
85.02956	4.2
86.00095	0.3
89.02457	2.3
93.03466	0.2
95.01382	0.6
97.02966	0.5
99.00863	0.4
101.02451	6.2
102.02773	0.2
104.05235	0.2
109.02922	0.2
112.01706	0.3
113.02454	2.9
116.92852	0.3
118.55150	0.2
119.03497	1.1
127.04066	0.3
131.03513	4.4
135.04524	0.5
145.05035	0.2
158.86908	0.2
161.04529	0.4
173.04562	0.5
179.03560	0.3
191.05579	0.8
292.48541	0.2
292.52386	0.2
353.08856	0.3
377.28375	0.4
403.03195	0.2
425.00037	0.2
453.54883	0.2
457.33328	0.9
464.06876	0.2
469.33325	2.7
471.31055	0.2
487.34174	0.6
489.98932	0.2
505.31866	0.7
509.36801	0.2
511.33530	0.2
515.12280	0.3
521.36243	0.2
543.37018	0.3
545.38977	0.2
557.38837	0.3
571.36285	0.5
575.39886	0.3
583.36658	0.8
589.37213	0.5
601.37225	2.0
619.38763	0.3
691.44110	0.3
703.44519	0.5
717.42218	0.7
721.45404	0.2
729.42560	0.3
735.43225	2.2
736.43341	0.2
747.43268	7.8
748.43109	1.0
751.43134	0.4
763.42572	0.6
765.44324	2.6
781.43994	0.2
883.50812	0.5
897.50433	0.3
909.48517	8.8
910.48651	1.1
927.49609	100.0
928.49933	13.2
969.50342	0.4
1089.54517	2.2
1090.54541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01360	0.5
85.02952	1.3
88.93394	0.3
88.98787	0.6
89.02451	0.7
95.01395	0.4
99.00862	0.4
101.02473	2.0
112.01635	0.4
112.85155	0.3
113.02428	1.4
120.32151	0.3
131.03494	0.9
150.95139	0.3
169.91786	0.3
229.31107	0.3
297.67493	0.3
384.42627	0.3
411.01236	0.4
426.56674	0.4
453.33740	0.7
471.34900	3.7
472.35370	0.4
483.86487	0.3
567.37097	0.5
585.37762	1.5
603.38611	1.9
703.44574	0.9
731.43726	0.8
749.44788	14.8
750.45367	2.1
751.44495	0.4
765.44037	1.2
766.45160	0.4
911.50165	100.0
912.50348	17.6
913.50696	1.7
953.51611	0.4
998.21533	0.3
1149.56189	1.2
1166.68274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	1.1
85.02959	4.6
86.00101	0.3
87.00889	0.7
89.02457	2.5
93.03476	0.5
94.36774	0.2
95.01392	0.7
95.27374	0.2
96.96025	1.1
97.02943	0.4
99.00882	0.6
99.04517	0.9
101.02453	6.5
103.04002	0.6
112.01662	0.5
113.02461	2.4
116.92847	0.2
119.03487	1.2
127.04017	0.3
131.02548	0.3
131.03517	5.2
132.03787	0.2
135.04492	0.2
143.03488	0.2
150.03236	0.2
161.04539	0.5
173.04546	0.5
191.05614	1.5
243.02951	0.2
266.75366	0.2
353.09122	0.2
369.28033	0.6
371.29520	0.5
373.27377	0.6
374.29111	0.2
397.27478	0.3
402.81302	0.2
421.31238	0.6
423.32666	1.8
424.33179	0.3
467.31760	3.1
468.32141	0.4
487.30676	0.3
503.33795	0.4
505.31583	0.4
537.35297	0.4
547.32837	0.3
555.36829	0.9
563.33789	0.2
581.35095	1.0
599.36011	1.6
600.37061	0.4
636.77679	0.2
649.39368	0.7
661.39954	0.4
699.40912	0.4
701.42865	0.4
721.41907	0.2
745.41772	3.4
746.42114	0.5
760.10388	0.2
761.41693	0.3
763.42255	0.7
823.44739	0.3
863.47882	0.3
881.49109	0.6
907.47058	7.5
908.46851	1.3
925.48090	100.0
926.48444	17.4
927.49304	0.4
967.49042	0.3
1087.54492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	1.9
85.02454	0.4
85.02960	6.6
86.00114	0.3
87.00890	1.0
89.02454	8.5
93.03468	1.0
95.01399	1.5
96.96037	0.7
97.02974	0.3
99.00900	0.8
101.02461	11.4
103.04037	0.5
112.01723	0.2
113.02465	6.5
113.06106	0.3
116.92886	0.4
119.03510	2.9
119.04913	0.2
125.02386	0.2
131.03522	3.7
132.03850	0.3
134.03766	0.5
135.04561	0.4
143.03497	0.2
149.04504	0.3
161.04608	0.5
173.04588	0.8
179.05618	0.4
182.12901	0.2
191.05638	1.3
218.00417	0.2
275.09268	0.6
305.97437	0.2
307.92621	0.2
369.27811	0.5
371.26266	0.2
392.33667	0.2
423.33096	1.9
424.33466	0.3
425.30750	0.4
441.33853	1.7
442.34167	0.3
449.14609	0.8
467.15564	0.2
471.95859	0.2
537.35413	0.3
555.36682	0.8
573.38000	1.4
599.35699	0.4
647.38348	0.2
683.41675	0.5
701.42804	0.3
719.43726	0.6
743.40710	0.5
745.42139	0.7
845.47028	0.9
855.10333	0.2
863.47107	0.2
881.49158	7.6
881.66211	0.4
882.49841	1.3
907.47211	1.4
909.48407	0.4
925.48242	9.2
926.48157	1.3
941.47943	1.3
942.47980	0.3
967.49951	0.3
1025.54480	0.4
1043.53137	0.3
1066.54346	0.3
1087.53369	100.0
1088.53638	15.6
1146.95007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95737	0.3
83.01391	1.2
85.02955	5.0
87.00875	0.8
87.26653	0.3
89.02463	2.4
93.03450	1.1
95.01393	0.8
96.96000	0.9
97.02972	0.3
99.00877	0.6
99.04514	1.0
101.02456	6.6
103.04024	0.5
112.01675	0.5
113.02472	3.5
119.03496	0.6
127.03974	0.3
131.03508	4.7
134.03706	0.2
135.04562	0.5
137.02422	0.3
140.31996	0.2
150.03204	0.3
161.04622	0.7
173.04579	1.1
178.02747	0.2
179.03548	0.3
179.86995	0.3
185.11774	0.3
191.03941	0.3
191.05600	2.4
335.19958	0.2
369.27762	0.2
371.29538	0.3
373.27393	1.5
397.27432	1.3
400.46658	0.2
415.22748	0.3
421.31000	0.4
423.32788	1.6
441.33411	0.3
449.14221	0.3
467.15665	1.4
467.31619	2.2
468.31738	0.3
485.32690	0.4
487.30743	0.4
503.33780	0.3
505.31805	0.5
529.31494	0.6
555.36896	0.8
581.34595	0.5
582.35815	0.3
599.36334	1.5
649.40051	0.6
661.39453	0.3
675.37360	0.3
679.36987	2.1
680.37408	0.4
701.42938	0.5
714.89325	0.2
745.41693	3.9
746.41937	0.4
751.96564	0.3
761.41742	0.5
763.42792	1.5
827.04755	0.3
863.47571	0.3
881.48755	1.0
882.48694	0.3
907.46973	7.5
908.47723	1.1
925.48071	100.0
926.48401	13.9
967.49316	3.5
968.48804	0.8
1033.38965	0.3
1087.55432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02956	0.2
87.00885	1.8
88.00418	1.6
88.98814	100.0
89.02448	4.6
89.99152	0.6
95.75372	0.2
96.96016	0.2
110.45773	0.2
113.02447	0.3
114.92502	0.2
186.14752	0.2
187.20023	0.2
191.05530	0.3
312.60876	0.2
360.71704	0.2
419.57495	0.2
453.33603	0.4
616.33380	0.2
649.12109	0.2
683.78790	0.2
731.44421	0.5
893.49225	7.3
894.49432	2.3
895.49115	0.9
923.46259	0.2
1145.52795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00872	1.6
88.00404	1.4
88.01254	0.2
88.98815	100.0
89.02446	4.4
89.99144	0.3
91.19356	0.2
110.82410	0.2
123.96664	0.2
132.67493	0.2
145.83394	0.2
191.05650	0.3
354.12881	0.2
455.35220	1.4
569.38348	0.4
587.39697	0.4
733.45447	0.6
895.50720	6.6
896.51056	1.9
897.51453	0.6
1147.53687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	2.3
79.95744	1.3
83.01382	1.2
83.56956	0.5
85.02972	3.8
87.00900	0.6
89.02448	4.4
93.03488	1.2
95.01374	1.0
96.96023	13.2
96.96651	0.7
96.96980	1.3
98.20663	1.1
99.00896	0.5
101.02456	5.8
113.02476	3.1
119.03524	1.4
131.03506	2.1
133.02913	0.5
134.03700	0.6
135.04517	0.9
137.02443	0.6
143.03520	0.7
166.02649	0.9
173.04541	1.0
181.05109	0.6
182.89915	0.5
191.05597	3.5
225.16171	0.5
265.74432	0.5
417.15631	0.9
421.31158	7.1
449.15329	0.6
519.11407	0.6
535.34314	0.6
553.35254	3.6
677.49640	2.4
678.49908	3.4
679.50708	0.8
699.41113	2.1
861.46655	2.1
923.46649	1.1
927.50391	2.9
928.50525	1.6
941.48035	2.6
1013.89545	0.6
1023.51624	1.1
1041.53015	0.9
1103.52734	12.8
1104.52905	2.2
1139.50562	100.0
1140.50720	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01412	1.4
85.02961	4.7
85.86162	0.3
87.00873	0.4
89.02442	2.5
93.03449	0.3
95.01398	0.5
96.96015	2.5
98.20634	0.4
99.00905	0.6
101.02455	5.4
102.92085	0.4
103.04004	0.5
111.58966	0.3
112.01678	0.4
113.02483	3.4
119.03484	1.1
131.03513	2.1
137.02454	0.4
155.03587	0.4
173.04460	0.4
191.05574	0.7
193.65698	0.4
453.33731	0.4
453.48270	0.4
455.35333	38.2
456.35602	3.4
469.37036	0.6
509.36453	0.8
551.37573	1.1
569.38452	6.7
570.38391	0.6
587.39551	13.1
588.39825	1.2
639.76019	0.3
715.44501	1.3
731.43915	0.7
733.45404	18.2
734.45776	2.2
749.44598	0.6
756.24750	0.3
775.46368	0.4
781.43988	0.4
877.49634	13.0
878.50104	1.5
895.50677	100.0
895.97943	1.8
896.50983	15.3
937.51825	8.3
938.52222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	1.4
85.02950	3.8
87.66109	0.8
89.02451	1.8
101.02443	4.3
109.61316	0.8
113.02460	3.1
131.03496	1.3
190.72493	1.0
207.82036	0.9
389.35626	1.1
471.34824	3.2
472.34985	4.0
473.35635	2.0
474.35455	1.2
586.38678	1.8
588.38782	1.6
603.39117	1.8
604.39459	3.3
605.39545	2.7
606.40198	2.0
629.66650	0.9
720.32391	1.0
733.43976	1.8
749.44769	4.0
750.45123	12.9
751.45551	15.8
752.45630	13.5
767.45776	1.1
768.44873	1.6
911.49579	7.4
912.50568	28.3
913.50824	58.7
914.51086	100.0
915.51385	4.4
1014.10828	1.0
1136.54907	17.5
1137.55066	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	1136.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	3.3
85.02962	11.3
89.02455	9.5
91.48821	1.9
93.03464	6.5
96.96027	4.9
101.02460	12.3
102.02786	2.5
109.58747	2.1
113.02457	7.2
119.03476	2.4
131.03487	5.6
133.02994	2.9
134.03755	1.8
135.04411	2.6
173.04520	4.4
191.05661	10.3
280.05826	1.9
450.14804	2.3
454.34351	1.9
519.23505	1.8
609.32391	2.1
782.42767	2.2
822.14722	2.3
866.50354	2.4
895.51404	2.7
896.48938	2.4
913.48242	5.1
914.49036	16.2
928.50275	2.8
1025.21130	2.1
1073.55530	18.6
1074.55688	11.0
1075.56482	27.2
1076.56311	100.0
1077.56702	4.8
1136.55298	15.3
1137.54724	2.4
1168.68726	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	1139.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03486	0.2
83.05032	0.5
85.02957	5.1
87.00879	1.2
89.04014	0.2
91.05556	0.3
93.03463	3.4
99.04522	0.4
105.03461	0.3
107.05023	1.2
108.02164	0.3
109.02980	0.6
111.04520	1.9
113.02443	0.2
117.03468	0.5
125.02438	0.2
127.04021	1.8
132.02150	0.2
132.73082	0.2
133.02974	2.9
134.03763	4.4
135.04539	49.1
136.04866	1.0
137.02441	0.5
150.12978	0.1
151.00391	0.2
155.03532	1.3
161.02464	4.8
162.02750	0.2
164.36192	0.1
171.03000	0.5
173.04562	3.8
177.01884	0.5
179.03511	46.0
180.03831	1.1
191.05624	94.3
192.05977	1.8
199.03976	0.2
223.95323	0.1
243.02983	1.1
255.03027	0.9
256.03604	0.2
270.01627	0.2
271.02478	1.9
285.04071	0.4
295.22165	0.2
299.01889	1.5
300.02728	1.4
314.04312	1.8
315.05142	3.7
329.10599	0.2
335.07675	0.5
344.12555	0.3
351.07312	0.7
352.07870	0.4
353.08783	100.0
354.09137	3.7
359.14938	0.8
371.14877	0.3
397.05170	0.2
515.11963	9.6
516.12537	0.6
602.13049	0.2
623.16174	6.8
624.16406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6059
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	3.1
81.03444	0.7
83.01403	2.9
85.02957	7.5
85.22330	0.5
88.98806	1.7
89.02448	3.7
93.03464	0.8
94.37587	0.7
95.01400	0.7
96.96002	0.6
101.02451	11.2
109.06575	0.7
113.02473	3.3
119.03500	1.3
121.02966	17.6
131.03514	9.7
135.04587	1.2
149.06094	0.6
151.00346	1.7
151.55325	0.5
155.75215	0.6
163.11214	0.8
165.12958	0.6
178.02792	0.6
191.05653	3.6
209.04579	13.6
209.06564	1.4
209.11816	11.3
231.67323	0.6
242.81856	0.6
301.07132	2.4
397.27484	3.6
437.24582	0.6
529.32050	1.0
555.36786	2.4
583.85107	0.8
599.36090	1.4
649.39191	1.0
672.25415	0.7
701.42657	3.4
745.41705	1.3
763.42755	11.8
779.42358	1.0
881.49274	0.8
911.49646	1.4
912.50146	3.3
913.50494	6.0
913.65186	0.8
925.48059	100.0
926.48468	10.9
1135.52905	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	1136.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.8
85.02955	3.7
89.02425	1.2
101.02437	5.8
102.02803	1.2
113.02460	2.2
119.03510	1.0
131.03500	2.3
371.79620	0.9
453.33942	1.0
454.34131	2.2
471.34695	2.7
472.35101	4.5
473.35352	3.3
474.35980	1.1
586.38354	1.5
587.38416	1.0
604.39185	2.0
605.39380	2.5
606.40021	0.9
734.45251	0.9
749.44885	3.9
750.45105	10.3
751.45508	13.4
752.45490	12.5
767.45117	0.9
911.50104	10.0
912.50549	32.4
913.50787	63.0
914.51099	100.0
915.51685	5.1
1067.08752	1.0
1136.55078	19.1
1137.55774	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	1133.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.4
83.01395	2.7
85.02460	0.6
85.02957	8.8
86.46186	0.3
87.00875	1.4
89.02445	4.5
93.03460	0.9
95.01421	2.0
96.96019	1.5
97.02960	0.6
97.14770	0.3
99.00877	1.6
101.01801	0.8
101.02448	11.6
111.00854	1.1
112.01649	1.1
113.02464	7.0
116.92870	0.6
119.03497	1.6
125.02457	0.5
129.01961	0.5
130.15193	0.4
131.03522	3.3
133.02945	0.4
134.03770	0.5
135.04546	0.8
137.02367	0.5
149.02431	0.9
149.04501	0.4
151.00346	0.6
151.03983	1.0
159.02991	0.5
161.04568	1.7
162.75589	0.4
173.04567	1.1
177.05611	0.4
179.05624	0.7
191.05643	2.0
195.06541	0.4
195.61758	0.3
210.50197	0.3
311.98328	0.4
357.13422	0.7
453.33685	0.7
471.34766	3.9
559.39893	0.8
585.37921	1.1
603.38770	2.2
685.43512	0.9
721.45319	8.1
722.45825	1.2
731.43542	0.6
743.27429	1.1
749.44806	1.5
765.44836	0.5
773.28442	0.4
867.50879	1.0
911.50085	18.4
912.50647	2.2
927.49725	2.1
928.49335	1.1
1029.56506	1.6
1073.55420	100.0
1074.55933	13.7
1133.57764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03469	0.2
83.01402	1.5
83.64109	0.1
85.02460	0.3
85.02959	4.6
85.55233	0.1
86.00102	0.2
87.00880	0.4
89.02453	6.8
93.03423	0.3
95.01385	1.2
96.96032	1.1
97.02935	0.4
99.00883	0.4
99.92582	0.6
101.02451	8.6
103.03994	0.2
112.01682	0.3
113.02460	4.6
116.92873	1.7
117.92889	0.2
119.03513	2.1
131.03511	3.9
132.20799	0.2
135.04489	0.2
143.03520	0.2
159.03052	0.2
161.04503	0.5
177.01874	0.2
179.05641	0.2
191.05594	0.5
233.07648	0.2
278.47607	0.2
449.14462	0.2
453.33673	2.4
471.34799	0.2
541.39514	0.2
567.36676	0.3
585.37653	1.2
713.44568	0.2
731.43604	1.5
774.47351	0.2
783.74536	0.2
893.48969	4.0
894.49225	0.5
911.49884	2.2
912.50391	0.3
927.50116	0.3
1029.56226	0.2
1073.55383	100.0
1074.55762	15.7
1133.53711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	1.0
85.02953	2.7
87.00866	0.3
89.02453	1.7
93.03477	0.3
95.01379	0.6
97.02941	0.3
99.00881	0.4
101.02448	3.8
103.04019	0.3
112.01678	0.3
113.02460	2.4
119.03493	0.7
131.03505	1.6
471.34836	21.8
472.35123	1.4
485.36285	0.4
525.35504	0.4
535.24762	0.2
538.47650	0.2
567.36902	0.7
585.37994	5.5
586.38306	0.6
603.39044	10.0
604.39685	0.9
617.41278	0.2
647.38196	0.3
731.43945	1.0
749.44861	12.1
750.45453	1.2
765.44769	1.2
791.45532	0.2
911.50153	100.0
912.50415	12.3
953.51166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45980	0.2
83.01416	0.8
84.49029	0.1
85.02964	2.5
86.00125	0.4
87.00865	0.4
88.06564	0.1
89.02459	1.4
93.03490	0.2
95.01421	0.4
96.96040	0.4
97.02944	0.2
97.06618	0.6
98.19897	0.6
99.00916	0.3
101.02456	3.3
103.04034	0.4
111.03719	0.1
112.01705	0.4
113.02470	2.0
114.17641	0.1
116.92891	0.4
119.03537	0.8
120.05798	0.1
131.03526	1.1
135.04486	0.3
161.02509	0.2
161.04626	0.2
173.04565	0.3
179.03432	0.2
191.05579	0.4
210.76163	0.2
216.09050	0.2
221.04477	0.1
230.04724	0.2
249.77357	0.1
346.63263	0.2
387.42273	0.2
403.62457	0.2
407.33344	0.3
423.32343	0.4
425.34274	0.4
449.15250	0.2
471.34830	22.6
472.35175	1.6
485.36182	0.5
525.35803	0.5
541.35693	0.3
567.36902	0.4
585.38019	5.2
586.38086	0.6
603.39038	9.2
604.38824	0.8
605.62665	0.2
731.43854	1.5
732.44031	0.3
749.44806	11.8
750.45251	1.5
765.44080	1.2
911.50159	100.0
912.50543	13.5
946.70111	0.2
953.50928	0.3
1073.55688	0.9
1133.53064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	0.8
85.02959	2.6
86.00092	0.2
87.00883	0.2
89.02448	1.7
94.38417	0.1
95.01373	0.4
97.02937	0.3
99.00877	0.1
101.02447	3.8
103.04002	0.3
112.01660	0.3
113.01726	0.2
113.02456	2.1
116.92865	0.2
119.03530	0.5
126.34863	0.1
127.03988	0.1
131.03511	1.6
143.03452	0.1
159.02948	0.1
161.04506	0.2
230.05373	0.1
320.03836	0.1
427.35690	0.3
453.33752	2.1
454.34146	0.1
471.34827	6.0
472.34906	0.4
525.35675	0.1
549.35822	0.2
559.40039	0.2
567.36890	0.6
585.37939	2.4
586.38458	0.1
603.39032	4.0
603.48901	0.2
604.39355	0.3
731.43610	1.0
749.44794	21.5
750.45123	2.0
765.44275	1.3
766.44977	0.2
911.50092	100.0
912.50458	12.5
953.50934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
81.86401	0.2
83.01384	1.1
85.02965	3.4
86.00111	0.3
87.00893	0.3
89.02446	1.8
93.45059	0.2
95.01376	0.4
97.02953	0.3
98.20618	0.3
99.00861	0.3
101.02452	4.4
103.04005	0.4
112.01671	0.4
113.02471	2.2
119.03492	0.8
122.52030	0.2
131.03514	2.2
152.83965	0.2
161.04562	0.4
190.16383	0.2
231.82393	0.2
434.27734	0.2
453.33868	1.1
471.28064	0.3
471.34860	5.8
472.35248	0.5
517.29022	0.2
549.36182	0.2
557.38031	0.2
567.36560	0.4
585.37958	2.2
603.39044	4.4
604.39270	0.4
687.45135	0.3
731.44312	1.3
731.56592	0.2
732.44092	0.3
749.44794	22.5
750.45026	2.7
765.44641	1.3
817.91406	0.3
893.49597	0.3
911.50165	100.0
912.50525	15.7
953.52325	0.3
1168.83325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95921	0.6
83.01393	3.3
85.02959	10.0
86.00104	1.0
87.00857	1.0
89.02452	4.8
93.03459	0.6
95.01388	1.5
95.03353	0.3
96.96017	1.2
97.02945	0.6
98.20774	0.8
99.00887	1.4
101.02453	15.4
103.04013	1.6
112.01668	0.3
113.02459	6.2
116.92850	0.4
119.03520	1.8
119.57277	0.3
127.03984	0.5
131.03511	14.5
143.03474	0.6
153.05573	0.5
159.02960	0.4
161.04536	1.0
164.58853	0.4
165.01970	0.6
165.05515	0.4
166.02711	0.4
173.04626	0.5
177.01958	0.6
178.02733	0.3
179.03397	0.3
179.05679	0.4
191.05655	1.7
195.06638	0.4
207.06682	0.6
221.77110	0.5
223.06129	0.9
230.11926	0.5
296.35590	0.4
438.42819	0.3
469.32770	0.4
557.38330	2.1
601.37823	0.7
703.44293	17.5
704.44653	1.3
710.65448	0.4
710.77515	0.4
719.43866	1.1
747.43311	1.1
763.41687	0.4
765.44757	0.4
787.98322	0.3
865.49597	100.0
866.50031	11.9
909.48590	45.1
910.48950	5.5
911.50244	0.9
951.49475	1.5
969.33740	0.6
1045.33289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	0.5
81.03471	0.3
83.01380	2.4
83.74059	0.3
85.02459	0.4
85.02956	6.2
85.03467	0.4
86.00092	0.5
87.00879	1.0
89.02441	3.3
93.03481	2.6
95.01394	1.3
96.96014	2.9
97.02957	0.5
98.19902	0.5
98.95607	0.3
99.00887	0.8
99.04556	1.5
101.02451	10.7
103.04020	1.1
104.67146	0.3
109.02953	0.5
111.04533	0.6
112.01616	0.5
113.02464	3.5
119.03510	0.9
125.02442	1.5
127.03992	0.5
131.03526	7.3
133.02927	0.4
134.03783	1.8
135.04507	0.9
136.01675	3.8
137.02423	1.2
147.13426	0.3
151.04013	5.2
161.02426	0.3
161.04555	0.8
165.01924	1.0
172.12628	0.3
173.04547	3.0
176.12134	0.3
178.02710	0.8
179.03496	1.0
180.04198	0.5
191.05635	3.3
195.06648	0.9
225.07629	0.6
249.38197	0.3
275.09229	0.4
293.10297	1.2
318.35660	0.3
342.11316	0.3
357.13467	7.5
358.13824	0.3
377.28320	0.5
393.31497	0.5
449.14612	0.8
467.15656	2.4
469.33258	1.0
519.18353	0.4
521.36603	0.5
557.38440	0.9
601.37646	0.5
663.23291	0.9
673.43066	1.1
703.44031	2.3
747.43237	4.7
748.43445	0.7
835.48633	0.6
847.48145	0.5
865.49445	2.6
909.48584	100.0
910.48969	12.1
951.49536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	3.5
85.02953	10.1
87.00908	2.5
88.20396	0.9
89.02447	5.9
96.96042	1.6
99.00888	1.2
101.02451	15.5
112.01664	0.9
113.02431	4.7
119.03506	1.4
131.03517	17.2
161.04564	1.2
174.97185	0.8
179.05679	1.0
191.05630	1.9
209.41338	1.0
227.12941	0.9
391.92386	0.9
409.18762	1.7
425.33752	1.2
469.33148	1.1
534.16486	1.0
538.39777	1.0
557.38239	2.2
661.52808	1.1
685.43475	1.8
703.44250	14.3
704.44385	1.6
747.42725	1.7
765.44678	2.4
847.48621	13.7
848.47961	1.3
865.49579	100.0
866.50031	12.1
871.93445	1.1
909.48553	31.4
910.49493	5.2
911.50592	1.1
925.46899	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	1131.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	0.3
79.95721	0.3
83.01396	2.0
85.02959	5.5
86.00097	0.3
87.00876	0.7
89.02462	3.0
93.03472	0.3
95.01398	0.8
96.96030	2.1
97.02985	0.3
99.00885	0.8
99.92607	0.3
103.04000	0.6
112.01686	0.6
113.01725	0.3
113.02458	3.6
115.04066	0.2
116.92859	1.0
119.03497	1.2
125.02395	0.3
131.03511	7.2
136.58521	0.2
138.16997	0.2
143.03514	0.3
159.03072	0.2
161.04575	0.7
163.06198	0.3
173.04482	0.4
191.05652	0.7
214.20741	0.2
320.81610	0.2
405.31693	0.4
439.31979	0.5
449.14343	0.2
451.32080	0.3
469.33224	2.9
470.33759	0.2
503.34869	0.2
505.31433	0.3
539.37463	1.0
540.37067	0.2
583.36566	1.0
601.37488	1.5
606.94049	0.3
685.43481	2.9
703.44299	0.6
717.42200	0.3
729.42230	0.8
747.43219	8.6
748.43701	0.9
763.42871	0.6
765.44031	0.2
803.56250	0.2
847.48486	15.6
848.48724	1.9
865.49493	0.8
891.47864	0.5
909.48572	100.0
910.48853	11.4
927.49158	0.6
951.49536	0.6
1071.53491	1.2
1131.54919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.525
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01409	1.7
85.02959	7.8
86.00115	0.2
87.00867	0.7
89.02452	8.4
89.03024	0.4
90.57990	0.2
93.03478	0.3
95.01407	1.6
96.96023	0.3
97.02977	0.5
98.20721	0.7
99.00851	0.7
99.04500	0.6
101.02454	13.8
103.04003	1.0
112.01634	0.3
113.02455	5.8
113.10937	0.2
119.03510	3.0
122.06089	0.3
125.02453	0.8
129.18892	0.2
130.47658	0.2
131.03517	8.5
134.03694	0.2
136.01672	1.1
143.03491	0.5
151.04015	1.7
161.04608	1.4
173.04501	0.3
179.05594	0.7
191.05643	0.8
201.10310	0.5
213.10277	0.3
229.09731	0.5
230.72850	0.3
239.11980	0.3
301.12048	0.9
319.12997	2.6
327.13483	0.3
339.27039	0.3
357.13434	2.0
358.13760	0.2
369.28134	1.9
371.26077	0.3
375.23743	0.2
404.16135	0.4
425.34067	1.1
469.33163	1.1
485.32715	0.5
501.32025	0.6
519.18976	0.4
521.36591	0.3
557.38770	1.3
569.24976	0.3
573.93494	0.2
587.24890	1.1
601.37354	1.1
613.22430	0.2
631.24121	2.7
631.39252	0.3
632.23932	0.4
645.25842	0.6
647.37964	0.8
663.26697	7.9
664.26923	0.4
703.44318	2.0
747.43378	3.3
748.43762	0.3
763.42627	0.4
817.09546	0.3
865.49341	3.7
866.50159	0.4
909.48621	26.3
910.49097	2.7
922.70056	0.3
925.48633	0.3
927.49371	2.3
1089.54944	100.0
1090.55139	13.7
1125.52771	8.9
1125.78235	0.4
1126.52783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01324	1.5
85.02957	5.2
87.00848	0.8
89.02449	3.0
93.03387	0.6
95.01360	1.0
96.95897	0.4
97.02886	0.5
99.00846	0.7
99.04477	0.4
101.02452	7.2
101.05717	0.4
109.08755	0.4
112.01608	0.7
113.02448	3.8
119.03484	0.9
131.03526	5.8
136.22514	0.4
140.50941	0.4
140.78015	0.4
151.00310	0.5
166.02657	0.5
173.04482	0.5
181.05028	0.9
191.05682	2.1
243.02849	0.9
254.83308	0.6
271.02271	1.4
285.04037	0.9
286.85214	0.4
300.02322	0.6
314.04388	2.4
315.04901	0.7
390.97662	0.4
405.31305	1.0
415.28214	1.5
417.15732	1.9
447.09369	4.0
469.32941	1.3
487.34152	2.3
519.11176	0.6
529.31647	0.5
539.37457	0.9
547.32501	0.9
601.37360	0.9
619.38306	1.2
685.43347	1.2
693.38623	3.2
694.39655	0.6
709.38416	0.6
747.43750	2.2
765.44391	6.8
766.45319	1.1
781.43750	1.0
855.43976	1.1
909.48444	2.4
927.49646	96.2
928.50049	11.9
963.47437	3.0
1089.56018	0.9
1125.52612	100.0
1126.52942	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	1125.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01309	2.3
85.02960	6.2
85.03421	0.4
86.00033	0.4
87.00803	1.0
89.02455	4.1
93.03419	0.7
95.01329	0.8
96.95949	1.0
99.00823	0.8
101.02454	9.9
112.01595	0.7
113.02464	4.7
113.03171	0.8
119.03410	1.2
129.82236	0.4
131.03517	6.6
151.03900	0.5
159.02818	0.4
161.02333	0.5
161.04546	0.8
173.04396	1.3
179.05617	0.5
191.05652	2.7
202.90286	0.4
353.09506	0.4
357.13043	0.4
369.27780	0.4
371.29401	0.6
409.95593	0.3
415.24301	0.4
415.28619	4.7
423.32675	2.1
425.34027	0.8
469.33368	0.9
478.50525	0.4
521.06488	0.5
529.31555	1.6
547.32843	2.4
557.38306	1.1
649.39447	0.4
663.78912	0.4
668.53754	0.4
675.37244	0.6
693.38641	6.7
694.38812	0.5
701.42987	0.5
703.44275	3.8
709.37952	1.8
723.70844	0.4
747.43219	1.1
765.43915	2.1
855.44019	6.9
856.44220	0.7
865.49615	10.8
866.50256	1.0
909.48810	2.3
927.49646	86.2
928.49945	9.0
963.47247	3.2
969.49622	0.6
1089.54773	2.7
1125.52637	100.0
1126.52612	13.6
1136.24377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
78.22401	0.3
83.01361	0.9
83.05778	0.3
85.02948	3.8
87.00844	0.6
88.98764	0.4
89.02449	4.0
93.03436	0.8
95.01331	1.3
96.96001	0.8
99.00834	0.4
101.02444	4.8
113.02470	3.5
119.03448	1.0
131.03499	1.8
137.02495	0.3
137.09752	0.4
146.78732	0.3
149.04503	0.4
150.03117	0.4
173.04503	0.8
179.03432	0.4
179.99147	0.4
191.05554	1.0
230.45728	0.3
233.66904	0.3
414.07101	0.4
437.30469	0.5
439.31915	0.9
453.52594	0.4
469.33377	1.8
485.32642	0.6
487.34396	6.8
488.34183	0.5
575.39093	0.6
583.36359	1.0
601.37585	3.3
619.38593	4.3
620.39349	0.5
703.44196	1.2
747.43658	1.9
765.44281	12.3
765.57947	0.7
766.45013	0.9
768.64935	0.4
781.44214	3.5
782.45007	0.6
865.49536	4.1
866.49658	0.5
883.50214	0.5
927.49640	72.8
928.50079	9.3
963.47333	1.5
969.51056	0.5
1089.54919	2.7
1125.52563	100.0
1126.52747	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	1125.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	1.7
84.16296	0.3
85.02962	5.4
86.52787	0.3
87.00815	0.8
89.02458	4.5
93.03400	0.7
95.01318	0.9
96.95933	0.9
99.00860	0.5
101.02461	8.2
112.01593	0.5
113.02461	3.3
119.03510	1.7
127.03943	0.4
131.03523	6.2
135.04515	0.4
137.02434	0.4
142.76772	0.3
143.03380	0.4
149.01953	0.3
161.04395	0.6
163.07552	0.5
173.04477	0.6
179.03329	0.4
191.05479	1.3
195.06473	0.3
254.83034	0.4
272.04681	0.4
411.32761	0.4
437.31161	0.3
439.31955	0.8
449.14206	0.4
469.33282	1.9
487.34436	4.6
521.37079	0.3
557.38202	0.6
583.36615	0.6
601.37213	2.1
619.38367	3.3
636.05225	0.3
703.44281	7.2
704.44342	0.7
719.42975	0.6
721.44714	0.4
747.43097	1.3
765.44244	8.2
766.44415	0.9
781.43689	1.8
865.49615	21.8
866.50183	2.3
881.48553	0.9
883.50385	1.3
925.48285	1.1
926.48840	0.4
927.49652	66.2
928.49890	9.0
963.47565	1.7
969.50323	0.9
1089.55750	1.9
1125.52612	100.0
1126.52673	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	1125.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	3.0
84.16142	0.8
85.02957	11.6
87.00877	1.8
88.98827	2.3
89.02452	6.0
93.03437	2.1
95.01336	0.8
96.96015	2.8
99.00877	1.4
101.02450	15.4
113.02463	5.6
119.03506	2.1
121.20500	0.7
127.13705	0.8
131.03519	9.3
135.04588	1.0
150.03262	0.8
161.02441	0.8
161.04529	0.9
165.05576	1.1
168.29994	0.7
173.04549	2.4
191.05603	5.3
210.88222	0.7
256.97766	0.7
441.33704	2.3
442.34360	0.9
449.14572	0.9
459.80087	0.7
573.37952	1.0
703.44446	11.6
704.45111	1.9
719.43713	2.9
721.45288	0.9
749.43915	1.0
765.44244	2.0
807.98059	0.9
845.47919	0.9
865.49603	40.9
866.50085	4.6
881.48779	6.1
882.49371	2.7
883.50586	5.2
884.87598	0.8
925.47931	1.6
926.46655	0.8
927.49628	46.0
928.50854	6.1
963.46979	1.7
969.50403	1.2
1027.55859	4.1
1087.52881	12.4
1088.53955	3.3
1089.54456	9.2
1124.52002	1.4
1125.52100	100.0
1126.52124	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	1123.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95814	3.5
79.95683	0.4
83.01288	1.5
85.02856	5.8
87.00813	0.9
89.02350	3.1
93.03371	1.1
95.01294	0.9
96.96003	4.0
96.96864	1.6
97.02890	0.4
99.00800	0.9
99.04465	1.1
101.02332	7.7
101.03033	0.5
104.92394	0.4
109.02881	0.5
113.02467	3.7
119.03413	1.2
131.03520	6.0
135.04439	0.9
161.04453	0.4
165.01753	0.5
171.57253	0.5
173.04398	1.1
184.49298	0.5
191.05646	2.8
206.85873	0.5
209.15350	0.5
231.10237	0.6
241.00995	0.7
275.08994	0.4
369.27640	1.1
371.29294	1.1
373.27502	1.2
383.29263	0.4
421.31195	0.9
423.32831	2.1
449.14023	0.8
452.57687	0.5
467.31754	3.9
503.33575	0.6
555.36621	0.9
581.34723	1.3
599.35840	1.4
669.92804	0.5
745.41541	3.6
761.40790	0.6
763.42932	1.1
881.49011	2.2
907.47211	11.5
908.47632	1.5
925.48071	100.0
926.48322	11.9
927.49707	1.1
927.99548	2.1
928.49878	2.0
961.45898	1.7
987.62860	0.6
1087.51953	0.7
1123.51074	31.4
1124.51709	4.4
1154.53040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95818	0.9
83.01305	1.7
85.02867	5.1
85.03407	0.4
85.95932	0.2
86.00026	0.4
87.00847	0.5
89.02454	2.8
93.03467	1.2
95.01292	0.7
96.96021	1.8
96.96925	0.3
97.02872	0.5
99.00797	0.8
99.04507	1.1
101.02445	8.1
103.03941	0.8
112.01554	0.7
113.02464	3.3
119.03395	1.0
127.03928	0.2
131.03511	5.9
135.04463	0.4
137.02322	0.3
159.02901	0.3
161.04482	0.5
173.04369	0.6
191.05611	1.4
209.11705	0.3
222.62764	0.3
231.16576	0.2
275.09204	0.3
300.81192	0.2
353.19849	0.3
371.29251	0.8
373.27228	0.7
383.29471	0.4
421.30731	0.8
423.32666	2.6
449.14630	0.5
451.91901	0.2
467.31665	3.3
468.31363	0.3
481.17401	0.3
503.33600	0.9
505.31805	0.3
537.35883	0.3
555.36523	1.1
555.44617	0.3
581.34540	0.7
599.35944	1.4
649.39557	0.3
661.39880	0.3
701.42975	0.3
745.41461	3.6
746.42004	0.3
761.41077	0.6
763.42853	1.1
823.44720	0.7
881.48871	0.4
907.47089	10.0
908.47644	1.3
918.49426	0.5
925.48077	100.0
926.48431	12.5
927.49316	1.1
927.99243	1.4
928.49945	1.0
930.48401	0.3
961.45508	1.8
1087.51953	0.4
1123.51086	33.0
1124.51013	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	1120.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02948	4.7
86.67235	2.1
89.02442	4.0
98.19957	6.1
101.02467	4.4
101.88615	2.1
113.02448	3.7
136.76540	2.2
141.60614	2.1
165.65991	3.0
172.19485	2.7
259.34421	2.4
314.05420	2.8
418.41763	2.7
455.35287	14.2
456.35504	19.5
457.35947	14.6
458.36157	6.0
554.29211	2.3
572.39172	2.9
587.39270	3.4
588.39899	6.5
589.39941	5.8
590.40222	4.2
655.36890	3.0
734.45575	5.8
735.45483	9.6
736.46185	8.5
793.44025	3.1
895.50580	8.5
896.51099	30.9
897.51288	67.7
898.51581	100.0
1120.55115	22.5
1121.54846	5.3
1122.72363	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	1120.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01434	2.0
85.02956	7.7
89.02460	3.9
101.02454	8.9
113.02454	2.7
115.49971	2.1
131.03534	4.0
191.05655	3.3
229.13358	2.3
243.41969	2.0
299.02493	2.6
301.22849	2.0
455.28629	1.9
455.34964	11.8
456.35672	22.3
457.35919	12.8
458.36209	5.3
494.26624	2.1
570.39093	4.6
571.38965	2.3
587.39801	3.0
588.39874	8.2
589.40356	7.1
590.40442	3.8
663.37341	6.4
733.44586	2.7
734.45386	9.9
735.45953	8.7
736.46472	9.2
794.43396	5.1
895.50665	9.9
896.51276	27.9
897.51208	64.2
898.51593	100.0
899.51367	4.8
1120.56006	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	1123.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95869	0.4
79.22116	0.5
83.01319	1.7
83.01783	0.4
85.02960	6.2
85.18198	0.5
86.00101	0.5
87.00810	0.9
89.02462	3.5
93.03391	1.7
95.01324	1.5
96.96032	2.3
97.02916	0.7
98.19910	0.9
99.04439	1.5
101.02447	8.8
103.03968	0.8
109.02880	0.4
112.01550	0.4
113.02476	3.9
119.03458	0.9
131.03525	5.5
134.03653	0.5
173.04431	1.5
179.03529	0.5
191.05615	3.3
275.08936	0.6
355.51828	0.5
373.27554	1.2
373.32397	0.5
379.11261	0.4
397.27396	1.1
400.78693	0.5
415.23096	0.7
415.28241	0.6
421.31006	0.7
423.32629	2.3
449.14160	0.8
467.31503	3.1
555.37073	0.9
581.34814	1.0
599.35626	1.3
679.36127	2.0
745.42096	3.5
763.42322	1.9
863.48419	0.5
881.50061	0.9
907.47150	10.5
908.47357	1.4
925.48096	100.0
926.48285	13.7
961.45557	2.7
967.49115	2.9
968.48645	0.6
1087.55054	0.7
1123.51062	56.5
1124.51135	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	1118.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02957	7.5
93.03468	1.8
101.02439	6.3
113.02486	3.1
131.03436	2.5
187.37451	1.7
191.05606	26.6
192.05917	3.6
210.05635	1.8
335.95850	1.8
453.33511	3.1
454.34064	6.5
455.34964	10.1
456.35345	7.4
521.25183	1.8
570.38031	2.5
587.39246	3.8
588.39819	4.1
590.64001	2.0
732.43646	4.1
733.44611	10.0
734.44696	6.9
889.47998	2.4
893.48541	7.9
894.49420	21.7
895.49988	53.3
896.50476	100.0
897.50696	5.2
925.47723	2.4
1118.54297	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	1118.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
83.13346	1.2
85.02944	6.5
88.45628	1.0
89.02455	2.1
95.01432	1.7
101.02473	5.7
113.02446	2.6
129.53210	1.1
131.03455	3.5
137.17113	1.1
151.00369	2.0
158.60240	1.2
173.04555	1.3
178.99864	2.6
191.05617	2.2
204.50665	1.2
247.61043	1.3
367.24683	1.4
371.73398	1.3
453.33646	3.8
454.33969	5.2
455.34305	2.8
731.43561	2.3
732.43726	3.8
733.45081	7.4
734.44873	4.0
750.46332	1.3
822.39191	1.4
893.48865	9.2
894.49536	28.3
895.49762	72.2
896.50159	100.0
897.50366	2.4
1118.54846	22.4
1119.52722	4.8
1135.35437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50156	0.3
79.89655	0.2
83.01376	0.8
85.02959	3.4
87.00871	0.7
88.98829	2.1
89.02440	2.1
95.01405	0.7
97.02967	0.5
98.19829	0.4
99.00900	0.4
101.01820	0.3
101.02460	4.5
103.04057	0.3
112.01662	0.3
113.02444	2.6
115.40977	0.3
119.03487	0.7
131.03525	2.3
143.33607	0.2
145.96405	0.3
147.82710	0.3
161.04500	0.3
191.05550	0.4
226.66872	0.3
453.33893	1.9
471.34879	6.0
472.35272	0.5
510.63574	0.3
545.33710	0.3
567.36584	0.8
585.37793	2.9
586.37903	0.6
603.39056	5.6
604.39355	0.6
717.42389	0.4
731.43488	1.4
735.43079	3.5
749.44830	20.0
750.45001	2.1
765.44055	2.6
766.43341	0.4
897.48602	21.6
898.48383	2.4
911.50153	100.0
912.50494	13.8
913.50403	0.5
953.51727	0.6
1059.58411	1.4
1119.52441	0.4
1138.35803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	2.2
85.02954	5.5
85.90066	0.6
86.00134	0.6
87.00894	1.1
88.98817	9.7
89.02457	3.6
93.03458	0.9
96.96028	1.3
97.02969	0.7
99.00885	0.7
101.02458	7.5
107.84235	0.5
112.01649	0.6
113.02445	3.3
119.03533	1.2
131.03510	4.2
190.31010	0.5
191.05623	1.6
254.64902	0.6
325.48010	0.6
453.33261	1.1
471.34943	4.0
519.29156	0.5
554.36786	0.6
585.37915	1.7
603.39276	3.7
653.67932	0.6
714.08490	0.7
735.43982	3.3
749.44885	17.0
750.45856	3.5
765.44836	3.0
778.15436	0.7
893.48065	0.8
897.48596	26.5
898.48889	2.2
911.50159	100.0
912.50421	16.1
913.01086	0.8
913.50665	4.2
914.00385	1.7
914.50562	0.8
953.50781	1.2
1054.70251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.545
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	0.7
84.02238	0.2
85.02956	4.5
87.00888	0.8
89.02454	8.7
93.03461	0.8
95.01421	1.2
96.96014	0.5
97.02951	0.3
101.02464	5.8
113.02457	3.8
115.00433	0.5
116.92869	0.3
119.03501	2.9
125.02438	0.3
129.01958	0.2
131.03491	0.5
134.03772	0.3
135.04552	0.4
143.03503	0.2
157.01408	0.3
161.04630	0.4
173.04521	0.5
179.03453	0.3
179.05640	0.3
191.05608	1.4
233.12805	0.2
282.74609	0.2
283.14969	0.2
402.40009	0.2
437.34308	0.2
449.14453	0.4
455.35349	2.1
483.35065	0.3
497.36420	8.6
498.36673	0.7
509.36407	0.6
569.38507	21.6
570.38806	2.0
587.39722	0.3
613.37524	12.9
614.37579	1.2
749.44720	0.3
781.43561	0.5
793.43640	0.6
895.47968	0.4
925.48419	0.4
937.48041	2.8
938.48505	0.4
1117.54456	100.0
1118.54590	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	1117.5808
Annotation	Unknow
Peak:m/z	Relative Intensity
79.03320	0.2
80.04788	0.1
83.01401	0.7
85.02961	3.2
87.00896	0.3
89.02454	2.3
95.01417	0.5
97.02961	0.2
99.00894	0.3
99.95846	0.2
101.02460	3.6
101.03112	0.2
103.04028	0.6
112.01611	0.3
113.02469	2.3
116.92886	0.3
119.03526	0.8
121.02879	0.2
122.79575	0.1
131.03523	1.5
136.52425	0.2
143.03586	0.2
161.04562	0.4
179.05719	0.2
407.33008	0.2
437.34204	0.2
455.35327	26.9
456.35687	2.5
469.36465	0.2
479.68323	0.2
509.36307	0.7
525.35339	0.2
551.37506	0.6
569.38525	6.3
570.38879	0.4
587.39532	10.7
588.39520	1.0
631.38470	0.2
715.44165	1.1
733.45349	13.8
734.45392	1.5
749.44775	0.9
759.84857	0.2
895.50647	100.0
896.51001	13.2
937.51862	0.4
1035.62500	0.2
1137.07556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1118.532
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01366	2.7
85.02946	5.8
87.00855	0.9
89.02456	3.2
95.01416	1.6
96.96021	1.7
101.02460	9.5
102.02779	1.6
113.02456	4.0
119.03522	1.8
128.40984	0.9
131.03523	8.3
132.03847	1.9
140.47614	0.9
191.05630	2.7
271.02469	1.3
299.01840	2.5
300.02432	1.1
455.35333	18.0
456.35608	15.8
461.07385	1.0
474.83963	0.9
542.39111	1.3
569.38422	4.4
570.38715	2.8
587.39276	7.3
587.87274	1.1
588.39941	7.3
688.44922	2.7
689.45221	2.7
690.45740	1.9
696.71844	1.2
726.41431	1.1
733.45618	6.7
734.45209	9.0
734.56805	1.2
781.43945	6.0
781.93829	2.2
782.44019	2.7
849.49988	4.8
850.50037	10.9
851.50714	16.5
852.50995	20.5
894.49158	2.6
895.50446	33.8
896.50964	100.0
897.51727	6.1
1118.55371	10.9
1149.85718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
82.67860	0.2
83.01418	1.1
85.02956	2.9
87.00851	0.2
89.02456	1.9
95.01398	0.5
97.02962	0.4
98.20675	0.5
99.00887	0.3
101.02452	4.3
103.03999	0.3
112.01691	0.3
113.02473	1.8
119.03479	0.7
121.11192	0.2
131.03522	2.0
143.03517	0.6
161.04584	0.4
169.85454	0.3
191.05620	0.4
235.57021	0.2
453.33780	11.6
454.34277	1.2
467.81516	0.2
523.34229	0.3
549.35889	0.5
567.36981	2.4
568.37207	0.3
585.37946	3.3
586.38782	0.4
677.98901	0.3
687.45093	0.4
731.30829	0.5
731.43787	7.8
732.44135	0.6
747.43842	0.5
749.44897	4.0
750.44788	0.3
782.43457	0.4
893.49109	100.0
894.49408	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
82.51508	0.3
83.01387	2.9
83.76041	0.3
85.02961	8.9
86.00098	0.6
87.00895	0.8
89.02456	4.1
89.02959	0.5
95.01394	1.0
96.96016	0.5
97.02969	0.4
99.00891	0.9
101.02451	14.1
103.04005	1.0
112.01670	0.3
113.02465	4.3
119.03524	1.7
127.04085	0.3
131.03519	13.5
161.04526	0.9
177.22192	0.3
191.05605	0.7
196.70628	0.3
441.33554	0.8
451.35477	0.3
453.33929	0.7
479.35040	0.4
541.39203	2.5
555.36304	0.3
585.38037	0.9
632.88348	0.4
663.37610	0.4
687.44727	14.4
688.45496	1.6
703.44531	1.1
731.43866	1.4
749.44482	0.5
781.44025	0.6
782.44440	0.6
782.94244	0.4
849.50098	100.0
850.50427	12.9
893.49115	32.0
894.49487	4.4
935.50757	1.0
1029.31226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.45083	0.8
55.01884	1.8
67.01897	29.0
70.58434	2.5
78.95910	100.0
79.95743	1.1
81.64738	0.9
83.01388	5.0
84.04546	1.5
88.47312	0.9
110.97591	4.1
110.98521	2.5
111.00888	41.0
112.01188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	0.8
85.02962	2.2
86.00092	0.2
87.00869	0.1
89.02463	1.6
94.05798	0.1
95.01384	0.5
97.02953	0.2
99.00905	0.2
99.12465	0.2
101.01801	0.2
101.02454	3.4
103.03996	0.5
113.02473	1.6
119.03489	0.5
131.03505	1.7
159.03009	0.1
161.04533	0.2
276.25845	0.1
277.84198	0.1
390.06140	0.2
390.84708	0.1
453.33752	6.9
454.34119	0.6
467.35349	0.2
549.35754	0.2
567.36871	0.6
585.38129	1.6
642.00848	0.2
687.44403	0.3
731.30798	0.3
731.43872	7.0
732.43677	1.0
747.42987	0.5
749.44788	0.5
773.45245	0.2
893.49091	100.0
894.49420	13.1
935.49213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
81.38364	0.2
83.01318	0.6
85.02951	2.4
87.00851	0.4
87.21054	0.2
89.02451	1.2
93.03426	0.4
95.01320	0.6
97.02919	0.3
98.19845	0.4
99.00832	0.2
99.10439	0.2
101.02454	3.2
112.01639	0.3
113.02454	2.0
119.03425	0.6
131.03506	1.1
143.03448	0.2
144.43823	0.2
148.07919	0.2
161.04478	0.4
173.04434	0.5
189.12704	0.2
191.05621	1.0
226.81456	0.2
283.00220	0.2
431.18976	0.3
449.13913	0.2
471.34821	18.5
472.34930	1.4
473.58487	0.2
485.36282	0.3
525.35236	0.3
541.34900	0.2
567.36621	0.7
585.38025	4.4
586.38104	0.4
603.39026	7.6
604.39392	0.6
731.43500	0.9
735.43207	0.2
749.44763	10.0
750.44983	0.7
765.44196	0.8
897.23987	0.2
904.91229	0.2
911.50128	74.9
912.50452	7.8
947.47778	2.6
953.51025	0.4
1073.55457	0.4
1109.53113	100.0
1110.53223	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	1109.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.8
83.18142	0.2
85.02951	5.2
87.00884	0.3
89.02453	7.0
93.03458	0.4
95.01388	1.5
96.95995	0.3
99.00879	0.5
101.02449	9.4
103.04028	0.4
112.01637	0.4
113.01722	0.4
113.02457	5.0
119.03508	2.5
131.03505	4.2
135.04550	0.2
143.03551	0.3
153.51605	0.2
161.04576	0.3
173.04552	0.2
191.05585	0.4
225.66275	0.2
449.13983	0.3
453.33923	2.3
567.36780	0.6
585.37769	1.1
607.06506	0.2
615.92725	0.2
687.45044	0.4
731.43964	2.1
865.48846	0.2
893.48804	3.4
894.48981	0.3
909.49091	0.4
911.50250	1.6
937.81775	0.2
1073.55359	100.0
1074.55640	11.5
1109.53101	20.2
1110.53320	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	1109.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01322	0.8
85.02963	2.3
87.00831	0.6
89.02467	1.3
93.03381	1.0
95.01324	0.4
96.95964	0.5
97.02902	0.3
97.06557	0.6
98.54009	0.2
99.00829	0.4
101.02449	3.9
102.26482	0.2
103.04002	0.3
112.01632	0.4
112.85200	0.2
113.02454	1.9
119.03435	0.6
131.03535	1.2
137.02422	0.3
173.04512	0.5
191.05489	1.1
238.53679	0.4
314.76636	0.3
362.80374	0.3
425.34036	0.3
449.14713	0.4
467.15268	0.3
471.34802	24.1
472.34933	1.5
475.60068	0.3
485.36395	0.6
525.35687	0.8
567.36694	0.7
585.37964	6.0
586.38306	0.4
603.39014	10.5
604.39227	0.5
703.82416	0.3
731.43329	2.4
749.44861	12.8
750.45392	1.1
765.44495	1.6
767.43860	0.3
816.28394	0.3
911.50134	88.2
912.50568	9.1
947.48328	2.7
1071.53088	0.4
1073.55188	1.5
1109.53137	100.0
1110.53149	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	1109.531
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01312	0.5
85.02951	1.6
89.02447	1.1
95.01340	0.4
95.01871	0.2
97.02872	0.3
99.00817	0.3
101.02446	3.0
103.03940	0.3
111.28452	0.2
111.53564	0.2
112.01623	0.2
113.02468	1.9
119.03418	0.5
131.03523	1.2
143.03366	0.1
161.04449	0.2
230.16866	0.2
276.64630	0.2
453.33804	1.9
454.34015	0.2
462.33762	0.2
471.28104	0.3
471.34790	5.5
472.34988	0.3
525.36047	0.2
567.36646	0.5
585.37976	1.9
594.70514	0.2
603.38971	3.1
604.38721	0.3
622.07648	0.2
731.44098	1.0
749.44800	17.0
750.45264	1.6
765.44519	1.1
766.44098	0.2
911.50116	70.6
912.50476	8.0
947.47412	2.1
956.30212	0.2
1073.55908	0.2
1109.53076	100.0
1110.53223	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	1109.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01363	0.5
85.02967	1.8
89.02390	1.2
95.01338	0.4
101.02446	2.6
101.44173	0.3
113.02470	1.6
119.03493	0.5
131.03423	1.2
161.76501	0.3
162.29750	0.3
173.06972	0.3
229.76312	0.6
438.29578	0.3
453.33810	0.5
471.34729	5.0
567.36810	0.4
585.38049	1.8
603.38922	3.3
731.43884	0.7
749.44843	15.9
750.44684	2.3
765.44891	1.5
774.53314	0.4
911.50183	88.3
912.50549	13.3
947.48053	2.0
1109.53137	100.0
1110.53333	17.6
1110.78027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50163	0.4
83.01050	0.7
83.01586	1.9
85.02578	2.2
85.03154	6.1
86.00308	0.3
87.00584	0.6
87.01072	1.0
89.02069	0.9
89.02658	3.5
93.03680	1.3
94.35818	0.4
95.01607	1.2
96.95636	0.4
96.96194	0.8
97.03113	0.8
99.01066	0.8
101.01928	2.4
101.02674	10.2
103.04208	0.5
112.01907	0.6
113.01848	0.8
113.02702	4.2
116.93054	0.3
117.23507	0.4
119.03777	1.4
125.02686	0.5
131.02701	0.9
131.03773	6.2
135.04712	0.6
137.02718	0.4
161.04840	1.1
165.02188	0.4
173.04880	1.2
173.19086	0.3
191.05954	1.5
192.06119	0.5
205.01926	0.4
449.14948	1.6
469.33136	3.0
539.37738	0.7
583.36737	1.4
601.37677	1.6
619.38312	0.7
685.43213	4.4
686.43213	0.5
703.44592	0.8
717.43323	0.5
729.42639	0.6
747.43451	7.4
748.44116	1.2
763.42401	0.8
825.43097	0.6
847.48431	15.1
848.49182	1.5
865.50012	0.7
891.47192	0.7
909.48584	86.5
910.48950	11.3
924.76410	0.5
927.52203	0.7
945.45502	2.7
951.49237	0.5
1071.53833	32.2
1072.54504	5.6
1107.51440	100.0
1108.51721	14.3
1121.62195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52490	0.2
83.01401	0.6
85.02956	2.4
86.00124	0.3
87.00931	0.4
89.02432	1.2
93.03477	0.5
95.01402	0.5
97.02964	0.3
98.20673	0.5
98.49353	0.2
99.00840	0.3
101.02455	3.4
103.04060	0.2
112.01641	0.3
112.49337	0.2
113.02460	2.0
119.03510	0.5
119.05050	0.6
121.02969	66.5
122.03298	1.0
131.03510	1.3
135.04471	0.2
145.08485	0.2
147.04510	4.3
163.04050	0.4
191.03522	67.0
191.05510	5.1
192.03848	1.7
453.33813	1.8
471.28180	0.3
471.34839	4.9
472.35114	0.4
504.94803	0.2
549.36267	0.2
567.37042	0.5
585.38013	2.1
603.39020	3.8
604.39813	0.3
643.35883	0.2
731.44092	1.0
749.44849	23.0
750.45038	2.1
765.44128	1.2
863.48938	0.3
881.48840	2.0
911.50153	100.0
912.50531	13.1
971.57220	0.2
1103.54028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	1.0
83.04991	0.1
85.02956	2.5
86.00085	0.3
87.00866	0.2
89.02441	1.3
95.01326	0.4
96.96003	0.3
97.02908	0.3
99.00841	0.3
101.02447	3.4
103.03935	0.3
108.91302	0.1
110.83591	0.1
112.01614	0.5
113.02463	2.1
119.03473	0.3
121.02895	0.2
129.10936	0.1
131.02678	0.1
131.03505	1.3
135.04459	0.2
143.03456	0.2
161.04482	0.2
179.03401	0.2
191.05583	0.4
272.01019	0.1
411.32779	0.3
441.33362	0.2
453.33755	1.1
471.34811	7.3
472.34933	0.6
525.35608	0.2
543.36536	0.2
549.35760	0.2
567.36487	0.6
585.37976	2.9
586.37903	0.2
603.39032	5.2
604.39032	0.5
647.38495	0.2
703.43665	0.2
731.43872	1.3
749.44775	23.5
750.45074	2.4
765.44324	1.9
863.47906	0.9
881.48743	0.4
895.51294	0.2
906.13812	0.2
911.50128	100.0
912.50458	11.8
993.01324	0.2
1026.52966	0.1
1043.54749	0.3
1103.50903	0.2
1106.06030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	31.4
85.02959	36.9
87.00877	6.9
89.02448	17.6
93.03468	4.9
95.01387	13.3
96.96011	3.5
97.02959	3.7
99.00865	9.2
101.02451	100.0
113.02462	58.1
119.03471	13.4
119.04968	1.9
125.02415	6.3
129.01939	2.9
131.03490	10.8
131.31703	2.0
133.02980	2.7
134.82658	2.3
135.04469	2.8
143.03465	12.3
147.03023	2.0
149.04555	16.1
155.03490	4.3
159.02966	8.5
161.03278	4.6
161.04568	80.0
162.03151	2.6
162.04738	2.1
173.04529	4.5
179.03508	2.7
179.05550	3.7
191.05623	17.1
195.75308	2.2
203.05562	3.4
209.15480	6.7
221.06662	12.9
297.12253	2.4
353.20007	3.0
371.20709	22.5
413.21841	73.8
431.19189	7.5
454.98969	2.4
523.18250	2.6
600.58972	2.5
647.34332	39.0
648.34460	4.6
681.09882	3.3
689.35529	3.2
743.32184	2.2
870.27930	2.6
881.48566	5.0
884.43176	2.3
943.49634	4.7
1105.55701	10.7
1106.58228	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	1093.536
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01355	0.7
85.02950	1.8
89.02439	1.6
95.01350	0.4
101.02441	2.5
103.03986	0.3
112.01633	0.4
113.02454	2.0
119.03436	0.8
122.34127	0.3
131.03424	0.9
161.04489	0.4
335.63110	0.3
368.97617	0.3
455.35333	20.3
456.35620	2.3
509.36258	0.4
551.37567	0.6
569.38580	4.4
570.38574	0.4
587.39624	7.7
588.39624	0.9
646.13300	0.3
715.44037	0.9
733.45435	10.1
734.45465	1.2
749.44574	0.8
852.07544	0.3
895.50641	71.4
896.50909	11.0
931.48492	1.9
932.49927	0.4
1008.49023	0.4
1057.56250	0.5
1093.53601	100.0
1094.53955	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	1103.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	1.6
85.02965	5.3
87.00882	0.8
87.77331	0.5
89.02460	4.3
93.03412	0.8
95.01434	0.8
96.96027	4.1
97.02946	0.8
99.00896	0.6
101.02433	4.9
112.01662	0.8
113.02482	4.2
119.03502	0.7
121.02974	1.5
131.03502	2.5
133.54182	0.6
134.03831	0.6
135.04523	0.5
190.52206	0.5
191.05540	3.0
209.04546	1.1
453.33728	1.9
471.34921	7.5
567.37268	0.9
585.37701	2.9
601.37433	0.9
603.39117	4.5
619.39160	0.9
631.06030	0.6
731.43860	1.5
749.44928	20.5
750.45062	2.0
765.44836	1.2
893.49371	2.8
910.49280	0.9
911.50299	23.8
912.51245	2.7
934.91516	0.7
1043.54395	100.0
1044.54834	13.3
1103.49475	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	1091.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
80.97118	0.4
83.01357	1.1
85.02954	2.2
89.02394	1.6
95.01347	0.6
97.02936	0.6
100.12766	0.4
101.02455	4.0
103.03951	0.6
113.02471	2.2
116.07190	3.8
119.03426	0.5
121.02978	2.4
122.82305	0.4
131.03481	2.2
143.03471	0.8
152.72482	0.4
161.04559	0.6
165.01933	2.5
191.05589	0.6
308.18759	3.0
309.19025	0.6
345.22372	0.5
359.64224	0.5
399.43356	0.4
453.33792	10.2
454.34122	0.8
549.35687	0.4
567.37030	2.0
585.38049	2.9
731.43878	8.4
732.44360	1.0
749.44598	7.0
770.04645	0.5
893.49091	93.8
894.49457	10.3
919.18842	0.5
925.47961	0.6
929.47400	3.0
1091.52014	100.0
1092.52441	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	1093.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01338	0.7
85.02883	1.8
89.02379	1.3
93.23907	0.4
95.01329	0.6
96.95956	0.9
97.02828	0.4
99.00816	0.4
101.02459	3.7
103.03954	0.5
113.02460	2.4
119.03409	0.7
121.02976	2.9
125.02361	0.5
131.03412	1.6
138.26714	0.4
165.01932	2.1
165.05498	0.4
173.47157	0.4
181.66678	0.4
191.05466	0.9
211.13202	0.5
229.67470	0.4
246.77676	0.5
329.23532	2.0
453.33994	0.7
455.35327	18.8
456.35367	1.5
490.48148	0.5
509.36661	0.5
569.38696	5.1
585.38464	0.8
587.29999	0.6
587.39410	9.0
588.40137	0.7
664.37805	0.6
715.44354	2.3
733.45404	9.5
734.45844	1.3
749.44489	2.9
893.49310	3.0
894.49609	0.8
895.50635	95.9
896.51093	10.5
927.48621	0.7
928.49329	0.7
931.47986	2.6
965.49341	0.5
982.51813	1.7
983.01788	1.1
1057.55334	0.8
1093.53491	100.0
1094.53906	10.6
1094.77307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.7251
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	0.7
93.03464	0.8
93.62112	0.4
96.96020	0.5
115.44470	0.4
117.03485	2.3
119.05042	32.6
120.05406	0.7
132.05855	0.7
133.40013	0.5
145.02930	2.2
152.99628	1.0
163.04027	48.5
164.04373	1.2
164.43152	0.5
191.05655	0.7
287.17160	0.5
308.80978	0.4
407.33380	0.8
423.32767	8.8
425.34109	1.5
443.18256	0.5
453.33795	22.4
454.34146	1.4
469.33316	18.4
470.33380	0.7
536.10754	0.4
617.38519	100.0
618.38861	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	109.0297
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
65.03995	1.7
66.03491	21.6
67.01891	20.6
67.03023	6.7
69.89224	7.8
76.19641	1.4
81.03468	9.0
82.03016	1.9
85.02969	2.7
95.01417	2.1
108.02182	100.0
109.02997	84.2
109.04095	2.6
109.06651	1.6
110.02487	11.0
110.03284	3.7
118.39345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.4
85.02969	1.8
89.02414	0.9
95.01393	0.5
101.02438	2.4
105.54940	0.3
112.01659	0.4
113.02418	1.2
119.03464	0.5
131.03448	1.6
135.80028	0.4
168.68172	0.3
238.83711	0.3
453.33893	3.6
467.35480	0.4
567.37054	0.5
585.38013	1.6
731.43994	4.8
749.44043	0.5
891.47516	0.7
893.49060	77.5
894.49463	8.4
929.46844	1.6
935.49481	0.6
1022.30688	0.4
1055.54016	0.5
1069.22449	0.5
1091.51978	100.0
1092.52368	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	1085.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
80.15990	0.4
81.42998	0.4
83.01389	3.8
85.17282	0.3
93.03455	0.8
95.01397	1.0
96.95978	0.5
107.01398	11.5
108.02180	0.6
109.02925	0.8
111.00876	0.6
114.44907	0.4
121.02901	0.6
123.00909	1.1
124.01682	4.0
125.02435	1.8
137.02455	0.7
147.00914	0.5
148.01677	0.6
149.02464	1.0
151.00375	36.9
152.01173	9.6
153.01939	1.9
163.00356	1.7
165.01930	0.7
167.03456	0.5
169.01411	3.2
169.02818	0.9
174.03171	0.6
175.00323	1.9
175.03963	2.1
177.01909	0.8
178.99863	39.5
180.00209	0.8
183.04559	0.6
186.03067	0.5
190.99890	1.2
191.05536	0.6
192.00638	2.5
193.01431	6.8
195.02997	0.4
197.02495	0.6
198.03192	1.5
199.03941	1.4
203.03508	1.9
211.04059	0.9
213.01929	0.8
214.02678	1.0
215.03429	1.8
220.78200	0.4
225.01964	0.7
226.02701	4.1
227.03494	5.9
228.04276	1.8
229.01385	0.8
237.01874	1.6
237.54024	0.4
238.02647	0.6
239.03534	1.6
240.00610	1.0
241.01399	1.5
241.04913	0.5
242.02226	2.0
243.02904	1.1
244.03700	1.2
249.05853	0.5
253.01424	3.4
254.02229	8.2
255.03000	7.1
256.03729	1.2
261.05606	0.5
263.03613	0.4
265.05115	0.5
266.01987	0.5
267.02948	1.7
269.00873	2.2
269.04474	0.7
270.01743	1.1
271.02499	3.9
275.03613	0.6
279.03061	0.4
281.01053	2.6
281.03876	0.4
282.01697	1.1
283.02423	2.2
284.03146	0.7
285.04016	1.5
289.05038	0.6
293.00839	0.7
293.04398	0.7
294.01740	0.7
295.02493	1.6
296.03296	0.8
297.03888	0.9
298.01047	0.5
299.02014	1.3
305.04526	1.0
310.92099	0.4
311.01929	1.4
313.03796	0.5
315.02905	0.5
316.03281	0.5
317.04584	1.5
318.05096	0.5
321.04056	1.1
323.01804	0.5
325.03598	0.5
329.04742	0.9
331.02533	0.4
332.03265	0.6
333.03903	1.3
335.05545	1.2
337.03680	0.5
339.05115	0.6
341.03082	0.5
343.02448	0.6
345.03937	1.7
346.04803	1.6
347.05716	0.5
348.06235	0.7
349.03592	1.1
351.05133	0.4
355.04886	0.5
359.01611	0.8
359.05963	0.5
360.02798	0.4
361.03461	1.7
362.04340	0.9
363.05099	1.2
365.03223	0.9
373.03455	1.0
374.04251	0.8
375.04956	1.0
377.02972	1.0
379.04565	0.7
388.02234	1.8
389.02982	8.7
389.07529	0.6
390.03790	1.1
391.04544	1.0
402.03693	0.7
402.70944	0.6
403.04855	0.8
404.05563	1.0
405.02103	0.6
406.03278	1.5
407.03922	7.0
408.04861	0.7
415.00876	1.2
416.01752	1.7
417.01791	0.8
417.06284	1.4
419.07999	5.9
420.05017	0.6
421.05536	0.7
423.07300	1.9
429.02515	1.1
433.01788	2.7
433.05972	2.0
434.06873	0.9
435.07489	5.6
445.05951	0.7
447.03271	2.1
463.06793	0.9
529.07971	0.6
541.08002	0.5
582.04126	1.0
585.06305	0.8
597.06866	4.6
613.06183	2.0
615.07849	7.6
616.08191	0.7
715.15302	1.0
759.11896	0.9
777.13202	5.9
923.18896	21.7
924.19141	2.1
1085.24146	100.0
1086.24304	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	1079.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01371	1.0
85.02950	2.6
85.39952	0.5
89.02452	1.2
95.01401	0.9
101.02478	3.1
103.01208	0.6
113.02458	1.4
121.02979	2.2
123.00831	0.7
131.03513	1.5
132.83221	0.7
152.71507	0.6
165.01920	3.4
167.03511	1.1
191.05582	1.3
222.40073	0.6
232.52109	0.6
261.48114	0.6
376.79794	0.9
453.33881	1.8
471.34735	4.0
585.37885	2.0
603.39282	2.1
630.33679	0.6
731.43774	1.2
749.45020	16.2
750.45447	3.0
765.45013	1.0
881.49304	2.5
911.50214	60.3
912.50281	7.6
947.47528	2.3
1079.52063	100.0
1080.52380	14.0
1114.73535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0218
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
55.77893	0.6
59.11245	0.7
63.08689	0.6
65.03967	0.7
65.33459	0.7
66.03480	0.7
67.01900	5.0
67.03012	2.0
71.53612	0.6
71.54017	0.8
77.70594	0.7
81.03458	2.8
85.02924	1.0
95.01430	1.3
108.02184	100.0
108.04563	11.0
109.02995	27.5
109.04120	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	1081.595
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02684	0.3
81.03483	0.4
83.05035	2.8
85.02943	0.1
95.05051	0.6
97.06591	0.6
109.06598	0.2
123.08176	2.3
125.09738	81.3
126.10078	1.7
151.07640	0.3
169.08716	100.0
170.09058	1.9
267.62274	0.1
299.39816	0.1
749.44995	0.8
750.45569	0.2
1045.55066	0.1
1081.52246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	2.8
83.01389	2.2
85.02965	5.1
87.00882	1.1
89.02455	3.9
95.01411	1.1
96.96033	5.0
98.19907	3.6
99.00822	0.9
101.02440	4.4
113.02452	4.8
131.03519	2.5
165.01924	0.9
165.64992	1.0
191.05603	2.5
234.45360	1.1
247.30840	1.0
288.34241	1.0
318.67480	0.9
453.33777	1.3
471.34811	10.9
585.38348	3.8
603.39276	7.0
731.44818	1.8
749.44806	23.8
750.44977	2.9
765.44659	2.4
893.48700	2.4
911.50232	21.6
912.50159	2.5
1043.54419	100.0
1044.54919	12.1
1079.51965	61.1
1080.52087	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	1079.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
75.20887	0.5
83.01383	1.3
85.02960	6.4
86.00111	0.7
87.00878	0.8
89.02448	4.3
89.19924	0.4
91.52125	0.5
95.01392	1.1
96.95995	2.6
97.02950	0.7
99.00848	0.8
101.02447	6.3
113.02464	5.0
119.03514	0.5
131.03488	3.5
147.47916	0.4
167.94635	0.4
186.13814	0.4
191.05664	2.0
248.87503	0.5
265.32462	0.6
411.32913	0.4
453.33621	2.2
471.34778	9.0
472.35059	0.8
495.89511	0.4
534.02979	0.4
567.36688	0.7
585.37854	3.7
603.39172	5.7
619.38519	0.7
731.43805	2.3
747.42914	0.6
749.44720	26.1
750.44843	2.4
765.44244	1.9
893.49341	2.6
909.47858	0.8
911.50104	20.4
912.50195	2.1
1041.52490	0.9
1043.54370	100.0
1044.54639	12.1
1079.51978	78.8
1080.52319	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	1075.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	1.7
83.05024	1.1
85.02960	5.5
87.00883	7.8
93.03466	48.8
99.00884	1.2
105.03471	2.6
107.05038	0.8
108.02193	1.6
109.02946	2.7
111.00844	0.8
111.04530	4.7
121.02944	1.4
124.01643	2.0
125.02406	1.3
127.04024	0.9
129.01959	0.9
132.02126	1.9
133.02972	17.5
134.03786	5.5
135.04543	48.4
136.04845	0.9
137.02469	3.0
139.03938	0.9
150.03214	2.4
151.04037	4.5
155.03464	1.5
158.95279	0.6
160.01677	1.1
161.02443	2.7
169.36292	0.5
171.03011	0.7
173.04564	9.8
177.01944	5.4
178.02686	3.2
179.03505	10.4
180.04024	0.7
180.70616	0.6
191.05630	35.9
211.13524	0.7
215.05577	3.4
243.09676	0.6
307.08167	0.9
308.09064	1.7
309.14905	1.0
312.36880	0.7
327.15823	0.9
351.07166	5.6
353.13727	0.7
397.90768	0.6
534.36407	0.7
631.27130	0.6
738.58392	0.7
883.28961	0.5
883.44788	12.8
884.45404	1.6
901.46094	2.5
1057.47876	0.8
1075.51196	100.0
1076.51794	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	1079.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
76.81539	0.4
83.01371	0.9
85.02931	2.7
86.00053	0.6
86.60053	0.4
87.00848	0.5
87.71185	0.4
89.02406	1.8
93.03458	0.5
95.01384	0.6
96.95969	1.4
101.02446	3.0
112.38512	0.3
113.02393	1.3
115.03992	0.4
119.03492	0.6
121.02927	0.5
131.03476	1.5
150.03223	1.0
159.46249	0.3
173.04688	0.5
177.02068	0.4
191.05531	1.5
195.06480	0.6
302.78241	0.5
310.63531	0.5
337.14456	0.4
401.08578	0.4
453.33606	0.9
471.34882	6.2
472.34787	0.8
585.37817	1.7
603.39124	4.6
731.43109	1.1
749.44788	18.7
750.45074	1.7
765.44244	1.0
831.45282	0.9
863.47644	0.8
893.48907	0.5
902.49286	2.6
902.99585	1.6
903.49561	0.5
911.50171	67.2
912.50830	8.4
947.47888	2.4
1043.55823	0.6
1079.52026	100.0
1080.52271	14.2
1082.28784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	0.5
81.03461	0.3
83.01401	1.7
85.02962	6.1
85.69735	0.2
86.00125	0.4
87.00888	1.4
89.02449	4.1
93.03455	0.4
95.01382	1.1
96.96015	0.6
97.02957	0.8
98.20007	0.3
99.00878	0.9
99.04532	0.6
101.02451	8.3
111.00878	0.5
112.01665	0.3
113.02464	4.5
119.03542	1.7
119.05042	2.4
119.15002	0.3
121.02882	0.3
125.02433	0.4
127.03990	1.0
131.03508	1.9
133.02931	0.3
135.04546	0.3
143.03549	0.7
145.02963	0.3
159.02988	0.4
161.04565	2.2
163.04047	2.3
173.04561	0.3
191.05598	0.7
210.84061	0.2
215.46474	0.2
221.06587	0.5
323.00699	0.2
411.32791	0.3
427.35687	0.3
453.33698	0.7
471.34808	10.0
472.35056	0.9
567.36725	0.5
585.38031	4.4
603.39020	5.9
604.39618	0.5
619.38611	2.4
620.38733	0.7
633.13873	0.2
731.43567	3.1
749.44794	5.6
750.44897	0.6
765.44531	1.2
797.58508	0.3
893.48846	0.5
911.49780	10.3
912.50153	0.9
977.18457	0.4
1055.54785	0.6
1073.55322	100.0
1074.55615	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	1059.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
74.65600	0.4
77.03963	0.6
78.95908	0.7
81.03461	1.7
83.05023	1.4
84.84999	0.4
85.02959	6.0
87.00884	8.0
89.03981	0.6
93.03465	57.8
94.03826	1.0
95.05009	2.1
99.00898	0.8
99.04494	0.6
105.03473	5.9
107.05029	0.8
108.02210	1.4
109.02983	3.3
111.00922	1.0
111.04533	7.0
113.02462	0.7
121.02956	1.6
123.04533	1.2
124.01659	2.1
125.02460	1.1
126.03264	0.6
127.04036	1.2
129.01912	0.8
132.02176	2.7
133.02969	40.6
134.03770	10.5
135.04538	53.3
136.04848	0.9
137.02457	6.6
139.04028	2.0
149.02411	0.7
150.03230	1.6
151.04008	4.1
152.11330	0.4
155.03485	2.9
160.01675	2.2
161.02440	4.4
161.06064	0.5
162.03246	0.4
163.16965	0.4
173.04558	19.7
177.01952	17.4
178.02704	9.0
179.03510	11.2
180.04018	0.4
191.05623	39.9
192.06105	0.5
211.13423	1.5
215.05638	3.3
253.54115	0.4
277.21655	2.7
283.13397	0.6
294.98572	0.5
298.06247	0.4
307.08325	0.9
308.09058	2.2
309.15015	1.2
326.26236	0.4
327.16214	2.5
351.07242	8.2
352.07932	1.6
353.08597	0.4
353.13916	1.1
371.15073	0.5
425.61246	0.4
494.95569	0.4
823.46448	0.6
841.47174	4.4
849.43903	0.8
867.45398	17.4
868.45911	2.2
885.46649	6.9
886.47784	0.8
1041.51062	1.4
1059.51746	100.0
1060.52039	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	1043.6314
Annotation	Unknow
Peak:m/z	Relative Intensity
79.65418	0.2
91.11845	0.2
121.52933	0.2
127.07683	1.3
132.68539	0.2
148.05309	0.7
151.07628	0.9
163.35582	0.2
164.08405	0.8
177.09203	4.0
190.09999	0.4
191.05705	0.2
192.11569	7.4
193.12289	0.5
205.12357	4.0
207.13846	1.9
217.08665	0.6
218.09462	2.3
220.14694	42.3
221.15468	100.0
222.15782	3.0
235.13333	2.0
236.10539	79.5
237.10979	2.8
253.14383	0.4
293.17603	68.6
294.17957	2.2
373.71585	0.3
434.29620	0.3
570.76947	0.2
732.03815	0.2
749.45355	0.7
805.25128	0.2
888.74579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03966	0.8
78.95918	0.6
80.61562	0.4
81.03470	2.1
83.05039	1.5
84.79959	0.4
85.02952	5.0
87.00891	6.9
89.03979	1.0
93.03468	45.4
94.03854	0.7
95.05055	2.7
97.02996	0.7
98.20644	0.6
99.00890	0.6
99.04494	0.6
105.03468	10.6
108.02201	0.5
109.02967	3.2
111.00874	1.4
111.04535	6.1
114.77833	0.4
121.02931	2.2
123.04519	1.2
124.01680	1.5
125.02446	0.6
127.04028	2.1
129.01924	0.9
132.02222	2.4
133.02974	70.0
134.03777	13.8
135.04544	27.3
137.02457	9.0
139.04062	2.8
149.02451	0.9
150.03230	1.6
151.04018	2.4
155.03499	4.3
159.04491	0.5
160.01683	1.9
161.02443	4.3
173.04564	23.8
177.01947	38.0
178.02728	16.2
179.03525	9.6
180.03960	0.6
191.05626	38.8
192.05991	0.9
211.13425	3.6
215.05621	1.6
227.03249	0.6
277.21765	3.7
285.82205	0.5
301.14508	0.6
307.08109	0.6
308.08939	1.0
309.14957	1.4
327.16022	3.5
346.77094	0.5
349.80475	0.5
351.07230	6.1
352.07999	1.9
353.13919	0.9
439.21381	0.5
440.87585	0.5
447.22452	0.6
531.73047	0.5
568.49249	0.5
581.25970	0.7
707.43945	1.7
823.45807	1.4
841.47247	7.9
842.47620	0.7
849.44299	0.6
867.45313	11.9
868.46100	0.8
885.46545	16.4
886.46411	1.3
1059.51746	100.0
1060.51978	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	1029.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	4.3
75.60583	0.2
96.96024	0.4
99.00889	1.4
99.92593	17.6
100.92637	0.5
112.98579	0.5
114.93404	0.9
116.92871	100.0
117.01952	9.9
117.92888	3.1
251.83379	0.2
276.36469	0.2
284.71732	0.2
824.21393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	0.8
73.02956	0.3
74.42289	0.3
83.01369	0.4
85.02946	1.2
87.00916	0.3
89.02459	5.2
90.53143	0.3
90.76058	0.3
93.03467	0.6
94.86228	0.3
95.01397	0.7
96.96004	0.7
97.06586	0.3
99.04527	3.6
101.02460	3.3
107.40621	0.3
109.06603	0.6
113.02454	1.6
119.03496	1.1
143.05017	0.3
151.00421	0.4
165.12868	1.9
173.04559	0.7
189.12936	0.6
191.05565	2.6
191.10912	0.4
207.13924	5.5
209.11836	12.1
210.12056	0.5
225.14987	5.2
227.03500	4.0
229.05157	0.7
241.05478	0.4
251.12910	2.7
255.02995	10.3
256.03528	0.7
269.13956	27.7
270.14252	0.8
275.09286	0.4
284.03259	13.5
285.04013	5.1
287.15030	0.6
293.54761	0.4
431.18875	0.6
449.20294	100.0
450.20715	5.3
593.15137	16.7
594.15668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5437
Annotation	Jujuboside B
Peak:m/z	Relative Intensity
72.99223	1.3
73.02859	3.0
82.80903	0.4
83.01292	2.9
85.02856	9.1
85.03401	0.7
86.00011	0.8
87.00788	1.5
89.02339	6.0
95.01292	1.6
96.95880	1.0
97.02862	1.0
99.00771	1.6
99.92475	1.4
100.92519	0.5
101.02332	8.5
101.03034	0.4
101.92321	0.4
103.03939	0.6
112.01615	0.7
113.02462	6.5
113.03176	0.5
116.92871	9.1
117.01798	1.2
117.92746	3.1
118.92564	1.5
118.96883	0.8
119.03362	1.4
129.01848	0.6
131.03494	4.3
143.03419	0.7
161.04480	0.7
191.05621	2.6
209.80814	0.4
229.76160	0.6
243.54219	0.6
274.82883	0.4
329.06604	0.4
411.32397	0.8
416.68259	0.4
453.33829	2.7
471.34802	17.5
472.34921	1.4
525.35663	0.9
567.36719	0.7
585.37848	4.7
586.38226	0.7
603.39087	9.0
604.39020	1.1
729.41626	0.4
731.43652	2.8
747.42908	0.5
749.44788	37.1
750.45294	3.0
765.44061	2.1
893.49005	7.6
894.49847	0.9
897.49164	0.4
911.50098	61.2
912.50586	8.8
983.42230	0.8
1043.54382	100.0
1044.54590	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	1025.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55106	1.0
87.00908	1.0
93.03460	1.7
101.05088	0.8
107.69183	0.7
111.00871	0.8
112.98580	100.0
113.98920	0.7
114.93439	5.7
133.03009	1.7
134.03795	1.1
135.04521	6.7
143.17892	0.7
165.59161	0.7
173.04514	0.9
177.01872	0.8
179.03511	0.9
191.05669	6.7
226.00163	0.7
253.62305	0.7
356.41559	0.7
517.65338	0.8
755.30145	0.8
787.39343	0.8
815.35333	2.0
1007.42084	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02949	1.4
74.06689	0.4
75.25662	0.4
83.01394	0.7
85.02961	2.2
89.02463	5.3
93.03474	0.6
101.02463	3.5
113.02428	2.5
118.28609	0.5
119.03522	2.1
123.09320	0.6
133.02983	1.3
135.04555	3.0
150.18565	0.5
151.00381	1.2
163.11327	1.5
177.01982	0.7
179.03508	2.2
179.05861	0.5
181.12355	16.8
183.04462	0.6
191.05608	5.8
199.04001	1.5
207.10236	0.6
215.03534	0.8
218.92320	0.5
225.11336	41.5
226.11684	1.3
227.03432	1.0
229.01346	0.7
242.02310	1.1
243.02972	8.1
243.12334	0.8
244.03725	0.8
255.02989	5.9
257.04700	1.3
270.01505	0.7
271.02515	14.2
272.03073	1.0
285.03983	2.8
286.04761	0.8
291.36798	0.6
299.01987	15.1
300.02780	13.8
314.04346	16.2
315.05118	29.5
316.05606	1.0
339.04904	1.0
353.08771	4.2
354.09183	0.6
403.11575	0.9
404.11539	1.5
405.17676	100.0
406.18033	4.7
481.18332	0.7
515.12018	0.7
623.16199	47.1
624.16608	3.0
904.11774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	0.2
72.65820	0.1
78.95909	4.6
79.95744	6.9
83.01396	0.1
83.45983	0.1
85.02938	0.1
87.00875	0.1
93.03452	0.1
94.98095	0.1
96.96021	100.0
96.96901	3.8
97.95972	0.1
98.95602	0.3
101.02479	0.1
101.15065	0.1
112.98596	0.2
113.02462	0.2
135.04485	0.1
150.03244	0.1
165.05608	0.1
171.10242	0.1
173.04625	0.1
179.05585	0.1
181.05081	0.1
181.46159	0.1
191.05653	0.5
195.06624	0.3
196.07364	0.1
198.14241	0.1
211.09636	0.1
348.06354	0.1
567.21100	0.2
927.49658	0.2
1025.47571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.1
73.02959	0.1
75.00897	0.1
78.95912	4.0
79.95743	7.5
82.95415	0.7
85.02956	0.2
89.02457	0.1
93.03475	0.1
96.96021	100.0
96.96899	3.3
97.95977	0.2
98.95618	0.2
101.02448	0.2
107.37644	0.1
112.98558	0.1
113.02432	0.1
121.58886	0.1
135.04552	0.1
191.05595	0.5
210.08246	0.1
244.02408	0.1
256.92178	0.1
663.37592	0.2
768.82654	0.1
776.21875	0.1
779.45947	0.1
780.46619	0.1
977.49542	0.1
1025.47327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.1
71.55487	0.1
76.02456	0.1
78.95914	3.8
79.78833	0.1
79.95747	7.4
84.95132	0.1
85.02949	0.1
87.00877	0.1
93.03457	0.4
95.97647	0.1
96.96023	100.0
96.96899	2.9
97.95965	0.2
98.95609	0.1
105.03488	0.1
105.74093	0.1
109.02928	0.1
112.98563	0.1
116.92780	0.1
133.02994	0.6
134.03758	0.1
135.04565	0.6
137.02458	0.1
151.04138	0.1
173.04607	0.2
177.01971	0.3
178.02753	0.1
179.03506	0.2
191.05643	0.9
193.81366	0.1
215.05518	0.1
256.21338	0.1
316.10596	0.1
351.07773	0.1
495.99176	0.1
516.92883	0.1
815.35388	0.1
833.36517	0.1
1007.40625	0.5
1025.45532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
73.02954	0.1
78.95912	4.1
79.95745	6.9
82.95419	0.1
83.01380	0.2
85.02962	0.5
89.02470	0.2
93.03476	0.1
95.01360	0.1
96.96022	100.0
96.96902	3.9
97.95961	0.1
99.00896	0.1
101.02451	0.5
113.02486	0.3
131.03523	0.2
135.04468	0.1
150.03281	0.1
165.01912	0.1
181.05136	0.1
186.68866	0.1
191.05595	0.5
195.06706	0.1
245.58794	0.1
263.03537	0.1
322.34100	0.1
335.02051	0.3
415.28726	0.1
693.38708	0.1
745.41431	0.1
855.44208	0.1
925.48108	1.0
926.48602	0.7
926.99603	0.2
927.49640	1.7
928.50195	0.5
1025.50391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.6
71.55433	0.3
71.55832	0.2
78.95902	4.2
79.95743	7.3
85.02956	0.7
87.00877	0.2
93.03441	0.8
96.96017	100.0
96.96905	4.1
98.95557	0.2
101.02428	0.4
101.97280	0.2
107.00491	0.2
111.12500	0.2
112.98574	0.9
116.92962	0.2
133.02951	0.4
135.04526	0.3
173.04546	0.3
177.01941	0.5
178.02827	0.2
191.05629	1.9
263.20908	0.2
272.63242	0.2
546.16754	0.2
765.44043	0.3
815.36426	0.3
997.28137	0.2
1007.42517	0.3
1025.45190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	5.7
79.95744	7.3
94.98137	0.2
96.96022	100.0
96.96908	4.5
97.95947	0.3
101.02441	0.1
123.67534	0.1
191.05574	0.2
253.18546	0.1
333.50763	0.1
415.17691	0.1
452.33835	0.1
635.56824	0.1
925.46979	0.1
1023.45105	1.5
1024.46521	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	1023.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	5.8
79.95744	6.9
94.98100	0.3
95.97603	0.1
96.96023	100.0
96.96912	5.4
97.95940	0.2
112.98597	0.1
134.96838	0.1
189.56039	0.1
230.90515	0.1
237.58623	0.1
350.17328	0.1
573.83582	0.1
651.77777	0.1
753.25482	0.1
1023.45013	0.8
1024.46265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.4
78.95908	4.7
79.95742	7.1
82.95415	0.1
83.01366	0.1
85.02950	0.3
89.02461	0.1
93.03478	0.2
94.87416	0.1
96.96019	100.0
96.96901	4.2
97.95955	0.2
101.02446	0.2
113.02447	0.1
131.03531	0.1
135.04546	0.1
136.52898	0.1
148.52530	0.1
150.03232	0.1
165.01866	0.1
165.05545	0.1
173.04593	0.2
180.04172	0.1
181.05084	0.1
191.05556	0.5
195.06601	0.1
449.14810	0.1
631.58606	0.1
737.51355	0.1
794.23828	0.1
813.41638	0.1
925.48114	0.3
926.48938	0.2
927.49542	1.1
928.49951	0.2
1025.48413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.2
78.95912	5.1
79.95744	7.1
85.02953	0.1
93.03453	0.2
96.96023	100.0
96.96907	4.8
97.95962	0.3
98.19855	0.2
98.95599	0.3
101.02483	0.1
106.40407	0.1
112.98558	0.2
113.02403	0.1
135.04568	0.1
140.43985	0.1
165.57121	0.1
173.04523	0.1
187.04897	0.1
191.05627	1.0
195.06711	0.2
196.07346	0.1
230.98300	0.1
385.32245	0.1
484.35300	0.1
552.14685	0.1
567.21179	0.1
581.21722	0.1
733.17078	0.1
788.75140	0.1
833.37537	0.1
897.49255	0.1
927.50409	0.2
959.60730	0.1
1025.47827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.5
71.55350	0.4
75.19289	0.3
85.02953	0.5
87.00879	2.3
88.00408	1.4
88.01189	0.3
88.98816	100.0
89.02451	4.8
89.99141	0.5
101.02483	0.6
103.75891	0.2
131.03506	0.4
177.83443	0.3
191.05557	0.4
196.88504	0.2
571.03455	0.3
925.47998	3.9
926.48621	1.5
927.48865	0.5
1015.49225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.8
72.06615	0.4
81.03478	0.6
83.05037	0.4
85.02956	4.9
87.00894	1.5
89.02457	0.4
93.03460	3.4
96.96040	0.6
98.20674	0.7
99.04533	2.1
101.02476	1.2
107.05038	1.0
109.02983	0.6
111.04540	1.6
117.03489	0.7
125.02461	0.6
127.04037	1.9
133.02972	3.2
134.03770	4.7
135.04538	48.4
136.04869	1.1
137.02493	0.4
146.98083	0.3
155.03490	1.4
161.02463	5.5
162.02701	0.3
173.04567	4.0
176.04639	0.6
177.01982	0.7
178.02547	0.3
179.03510	47.0
180.03868	1.0
191.05626	89.9
192.05952	2.4
193.05040	0.6
194.05826	0.7
209.08247	2.0
225.07748	0.9
270.73828	0.3
289.13095	1.0
314.04315	0.4
333.12045	1.0
335.07767	0.6
351.07422	0.5
352.07510	0.4
353.08789	100.0
354.09109	4.4
371.13309	2.5
515.11731	5.7
515.18018	0.7
516.11853	0.5
623.16125	0.8
634.50366	0.4
1030.44006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.1
71.55686	0.1
71.56022	0.1
78.95911	3.6
79.95745	6.6
90.18708	0.1
96.96021	100.0
96.96897	2.9
97.91658	0.1
97.95953	0.2
159.31395	0.1
191.05826	0.1
273.97833	0.1
317.04623	0.1
356.77200	0.1
422.22168	0.1
488.35089	0.1
1021.43982	0.8
1022.44354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	100.0
73.02971	20.7
83.01391	12.2
85.02953	41.8
87.00891	5.9
89.02451	55.2
95.01422	6.4
99.00900	11.3
101.02460	67.1
107.09000	2.6
107.44824	2.8
113.02461	45.3
119.03526	19.4
131.03484	4.3
143.03499	8.5
153.14346	3.0
159.03017	6.0
160.01709	6.4
161.04552	29.0
179.05647	19.1
194.35956	3.4
205.78964	3.3
210.47769	2.8
211.17094	5.7
242.09370	5.8
257.11890	4.2
270.09018	7.6
285.11334	8.7
295.09692	3.3
298.08344	4.2
309.07870	2.8
310.08084	3.1
311.09100	3.2
325.10782	4.4
326.07913	6.2
327.79428	2.8
329.18890	2.8
341.10287	60.8
355.21155	4.9
356.12607	24.9
371.15009	95.4
371.19614	6.4
372.15274	5.6
373.22311	90.3
374.22650	5.5
401.09869	3.1
415.23407	66.5
416.23999	4.1
456.90466	3.2
511.94089	3.1
585.30450	3.2
988.89447	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	1013.584
Annotation	Unknow
Peak:m/z	Relative Intensity
101.02422	7.2
196.65683	4.0
220.80881	4.0
243.15721	4.7
255.23294	25.0
306.33609	4.3
325.32077	4.8
341.23386	100.0
397.13544	32.7
415.15012	9.0
427.15677	4.5
490.25665	4.8
493.51312	4.9
653.37634	15.7
658.86053	5.1
721.36237	9.1
732.28302	4.8
739.37378	6.7
950.54700	4.7
977.60590	10.8
1013.58160	54.7
1014.57538	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	1015.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.9
71.54903	0.2
72.53863	0.2
73.02969	0.2
73.62289	0.2
79.31255	0.2
85.02954	0.8
87.00887	2.4
88.00411	1.7
88.01266	0.3
88.98814	100.0
89.02448	7.9
89.99148	0.6
90.98228	0.2
93.03493	0.3
96.96033	0.3
101.02444	1.0
104.48192	0.2
113.02451	0.4
131.03503	0.8
167.53696	0.2
169.09967	0.2
191.05663	0.2
219.23532	0.2
221.09012	0.3
462.21350	0.2
632.49060	0.2
703.43756	0.4
763.43036	0.7
764.43976	0.3
925.48108	6.3
926.48535	1.6
927.49554	0.6
961.47363	0.3
1015.51434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
55.01887	13.1
57.03453	84.4
59.01370	9.3
61.53523	2.2
63.57845	2.3
69.76136	5.7
69.76552	7.6
71.01382	6.6
73.02955	14.5
83.01402	7.4
101.02447	100.0
102.02782	4.9
104.26163	2.0
105.87109	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	1011.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89429	0.5
80.23747	0.2
89.04032	0.5
91.01904	2.4
96.99326	3.2
107.01469	0.3
108.02219	0.9
109.02961	3.0
111.00930	0.3
117.03497	0.9
117.81164	0.2
121.02978	0.6
123.04530	4.6
124.01685	0.5
124.24451	0.2
125.02414	0.2
132.02240	0.3
133.02924	0.2
134.03754	15.3
135.04549	0.3
137.02457	0.8
145.02945	2.1
146.03754	5.6
147.04568	2.3
148.01724	0.8
148.05371	0.6
149.06075	1.2
150.03261	0.4
151.00458	0.6
153.05586	0.4
158.03754	5.4
159.04535	11.9
160.01657	0.8
160.05084	0.4
161.02452	0.3
161.06099	2.5
163.04012	1.1
173.02481	0.4
173.06110	3.1
174.03282	0.4
175.04066	0.8
178.02716	1.6
179.03566	0.4
183.04601	0.2
187.04037	0.9
191.05692	0.2
193.05052	6.2
199.04027	0.8
215.03468	0.4
227.03490	0.7
239.07106	0.5
241.04994	1.2
242.02267	0.8
243.02992	4.2
244.03586	0.4
249.05663	0.4
250.06384	0.5
255.03009	3.0
256.07425	1.0
257.04620	0.6
265.08801	0.4
266.05847	2.8
267.06631	3.1
268.04868	0.3
268.07239	1.4
269.08221	0.9
270.01785	0.7
271.02515	7.9
271.09750	1.3
272.03345	0.5
277.05164	0.7
280.07422	0.6
280.94553	0.3
281.08237	7.9
282.08954	3.0
283.09738	2.2
284.10526	1.8
285.03983	1.3
286.04889	0.3
287.05725	0.3
293.04807	0.4
293.08176	0.4
294.05362	0.6
295.06149	6.9
295.09439	0.6
296.06677	0.3
297.11362	0.3
299.02005	7.5
300.02759	6.9
309.07681	1.3
310.08478	8.9
311.08835	0.6
314.04352	7.4
315.05106	16.5
316.05582	0.7
325.10855	5.9
343.11917	0.3
354.07471	1.7
369.09860	2.7
387.10876	100.0
388.11200	5.7
623.16193	32.4
624.16650	2.6
932.19727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56664	0.1
71.57047	0.1
77.46936	0.1
78.95911	2.9
79.95744	6.7
93.03432	0.1
94.98094	0.1
95.97627	0.1
96.96022	100.0
96.96896	2.7
97.95976	0.2
133.02963	0.2
135.04463	0.1
140.30112	0.1
177.01936	0.1
181.90173	0.1
191.05614	0.2
229.33038	0.1
309.14996	0.1
338.68228	0.1
359.09531	0.1
392.94135	0.1
395.67084	0.1
749.45648	0.1
1009.43939	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	1009.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.1
74.50635	0.1
78.95911	2.4
79.95746	7.2
81.02242	0.0
93.03461	0.2
94.98095	0.1
95.97612	0.1
96.96024	100.0
97.95960	0.2
98.20683	0.1
101.02464	0.1
116.05775	0.1
133.03006	0.2
135.04514	0.1
141.03476	0.1
173.04556	0.1
177.01895	0.1
191.03601	0.1
191.05630	0.3
200.46153	0.0
495.97598	0.1
513.97119	0.1
519.31506	0.1
533.06824	0.1
738.17908	0.1
749.45087	0.2
750.45105	0.1
751.46332	0.1
811.30988	0.1
831.97345	0.3
832.47205	0.1
912.50287	0.1
1009.43756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	17.2
57.03462	34.9
59.01383	10.4
64.38080	3.8
69.63425	23.4
71.01408	10.2
73.02968	32.9
82.03216	3.7
85.69914	3.7
96.99177	3.5
101.02457	100.0
103.80872	3.3
109.22570	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	101.0245
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01668	3.2
55.01886	38.1
57.03203	4.2
57.03457	68.1
58.73587	3.3
59.01390	31.2
70.94449	7.7
71.01392	22.0
72.99306	3.9
73.02563	4.2
73.02958	67.5
83.01394	10.4
84.95142	3.5
93.19486	3.2
94.07726	2.8
100.94621	45.3
100.95238	7.4
101.02453	100.0
102.02806	4.7
102.05620	8.8
115.92062	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	1009.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	5.2
72.91248	1.6
78.95910	4.6
79.95738	7.3
80.64064	1.4
85.02956	15.4
87.00883	7.1
93.03468	49.9
96.96021	97.2
96.96950	4.2
98.19884	4.3
105.03448	4.7
108.02161	2.7
109.03001	9.8
111.00875	2.2
111.03830	1.6
111.04501	7.7
121.02979	8.4
123.04544	2.3
124.01667	4.7
125.02435	1.9
127.04014	3.7
132.02161	3.8
133.02977	52.1
134.03775	17.0
135.04541	100.0
136.04826	2.1
137.02444	14.1
137.09607	2.0
139.03966	3.4
149.06093	1.7
150.03247	3.9
151.04010	6.9
155.03502	3.6
159.04510	2.2
160.01836	2.8
161.02397	6.5
172.05339	1.9
173.04565	25.0
177.01997	15.5
178.02733	10.7
178.98891	1.5
179.03534	19.2
187.04002	2.8
187.07683	2.0
191.05630	73.3
192.05913	3.0
200.74443	1.5
209.11798	7.4
211.13370	3.8
215.05623	4.8
257.15356	1.8
283.13342	4.8
299.16479	2.7
303.59940	1.9
308.09125	4.0
309.14990	9.3
325.14520	3.8
327.16003	15.0
345.16772	2.8
351.07242	11.3
352.07913	5.0
353.14047	3.8
370.72842	1.6
379.82889	1.8
471.19305	1.8
569.12335	1.8
581.26324	2.2
601.05609	1.7
773.37695	7.0
791.38251	18.1
792.38708	3.5
799.35260	2.4
817.36639	46.2
818.36340	5.5
835.37543	21.7
836.38068	2.6
897.51343	2.1
991.41003	5.9
1009.42761	88.3
1010.43311	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	1005.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.1
71.17247	0.1
71.32472	0.1
78.95912	3.6
79.95745	6.1
85.02988	0.1
94.98096	0.1
96.96022	100.0
96.96899	3.1
97.95961	0.1
101.02456	0.1
153.81779	0.1
190.63663	0.1
197.81404	0.1
243.05995	0.1
266.71060	0.1
359.55807	0.1
663.37030	0.1
945.53577	0.5
946.53650	0.1
1005.44702	0.6
1006.45642	0.1
1008.20764	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	1007.6314
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55767	0.2
87.20573	0.2
88.91111	0.2
96.96032	0.7
112.98579	0.6
131.03526	0.2
133.81673	0.2
135.04526	0.3
154.85399	0.2
165.47075	0.2
193.15984	0.2
195.17557	30.5
196.17923	0.8
205.07240	0.2
213.18636	1.0
239.16544	35.4
240.16895	1.2
257.17599	100.0
258.17877	3.7
322.51257	0.2
360.87723	0.3
469.97485	0.3
561.37653	0.2
749.44971	0.8
790.24615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	7.5
73.02953	1.8
75.00894	0.6
83.01398	1.0
85.02962	4.8
87.00893	0.7
89.02468	4.5
93.03434	1.6
96.96027	0.8
98.19833	0.7
99.00867	0.8
101.02445	5.8
105.74982	0.7
113.02468	3.1
119.03484	1.2
131.03513	0.9
135.04491	0.6
145.04973	0.6
148.05344	0.9
150.03242	0.8
161.04643	0.6
163.04091	0.7
163.07645	1.0
165.05611	0.6
173.04552	0.7
191.05641	2.1
316.30374	0.5
327.12411	0.5
362.99545	0.6
439.32187	1.2
487.34320	5.4
601.37347	3.9
614.13403	0.6
619.38574	10.7
620.38831	1.7
694.79236	0.6
781.43860	100.0
782.44147	12.7
823.43811	0.8
943.50281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	33.0
71.05011	2.4
71.55429	3.3
72.99300	5.7
73.02944	7.7
75.00876	2.9
83.01385	9.7
85.02957	21.7
88.17701	1.5
88.98833	2.3
89.02443	8.4
93.03434	2.1
95.01347	4.2
96.96018	7.2
99.00848	2.3
101.02455	31.2
103.04016	2.3
113.02459	11.0
119.03503	5.6
131.03503	21.4
161.04523	3.8
179.05653	1.9
191.05583	3.6
217.64441	1.6
262.42120	2.4
425.34064	2.6
457.33200	4.0
573.38092	3.4
703.44537	15.5
719.43903	20.4
720.43768	3.1
735.43268	2.5
747.42810	4.1
763.42273	7.2
865.49603	100.0
866.50110	13.7
881.49261	11.4
882.48535	2.9
894.50891	2.9
899.50500	6.5
909.48615	18.1
910.49402	2.4
925.48859	8.6
943.48993	22.9
1006.07257	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	1003.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54659	2.4
71.01395	6.8
72.99311	0.8
73.02941	1.4
75.04632	0.4
83.01380	1.3
85.02959	3.4
87.00909	0.5
89.02453	4.4
95.01390	0.7
96.96011	1.3
98.20697	0.4
99.00887	0.8
101.02447	4.2
108.76374	0.4
113.02464	2.6
116.92899	0.8
119.03488	0.7
131.03496	1.3
149.04564	0.5
150.03192	1.5
161.04550	0.4
165.05595	1.2
179.03540	0.7
191.05585	1.0
195.06648	1.1
196.45753	0.4
201.09491	0.4
259.32996	0.4
305.12909	0.4
433.55499	0.4
439.32297	1.0
469.33115	1.3
470.74387	0.4
487.34317	3.4
546.63855	0.4
601.37286	3.7
619.38483	7.8
620.38641	0.9
668.60345	0.4
699.32654	0.4
781.43835	100.0
782.44067	10.7
823.45038	1.0
854.21649	0.4
892.39642	0.5
943.50140	1.6
967.82373	0.4
979.40106	0.4
979.83398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	24.9
72.99315	3.5
73.02940	2.4
75.00893	6.5
75.48700	1.6
83.01388	2.4
85.02953	10.5
87.00888	2.2
89.02455	15.6
93.03473	4.2
95.01408	3.5
96.96013	7.3
96.96976	1.3
98.20645	2.7
101.02452	15.4
111.04565	1.3
113.02467	9.0
116.92854	2.3
119.03525	4.7
119.96043	1.2
131.03500	3.3
135.04599	2.5
137.02435	1.6
143.03531	1.5
150.03214	2.6
151.00391	1.3
161.02483	2.6
161.04535	1.5
165.01923	3.3
165.05568	2.8
166.02638	2.0
173.04565	2.5
177.01917	1.9
179.03476	3.2
180.04306	3.5
181.05119	2.4
191.05598	7.9
192.04266	1.8
194.05884	1.5
195.06526	3.6
207.06601	1.9
209.08122	2.5
223.06163	1.5
225.07700	3.8
274.42551	1.3
481.17191	2.2
497.67126	1.4
601.37164	2.5
763.42621	2.2
781.43994	7.0
927.49512	5.5
928.50049	1.7
942.49866	1.8
943.49243	100.0
944.49683	15.6
1003.39624	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	1001.6575
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.9
71.05045	0.6
74.80364	0.3
78.95909	1.6
79.95728	1.9
81.03488	0.5
96.96022	29.6
97.06590	2.2
129.30817	0.4
143.27429	0.4
152.96736	0.4
171.10233	0.9
191.05673	0.5
191.14409	1.3
223.09497	0.5
229.60146	0.4
233.15671	0.5
239.99667	0.4
277.21799	2.0
283.11737	0.5
322.87512	0.4
325.20386	0.5
331.54587	0.4
343.21365	2.5
375.27350	0.7
389.28546	1.3
391.26642	0.4
391.30222	4.0
393.27643	0.5
393.32025	0.6
397.13718	0.9
405.31519	4.0
407.28748	0.7
407.33331	8.3
408.33908	0.9
409.31122	1.2
415.14850	0.5
423.33353	2.1
425.34210	1.7
437.30829	2.2
439.32104	1.6
441.33746	17.3
442.34174	1.5
443.35544	0.6
449.30698	1.0
451.32202	8.3
452.32379	0.7
453.33771	100.0
454.34091	7.2
467.31750	2.1
469.33301	13.9
470.33395	0.8
471.34546	0.4
485.32864	3.1
486.33096	4.9
487.34512	35.0
488.34747	2.7
497.32858	1.7
513.32263	1.2
539.64313	0.4
645.58765	0.5
768.94812	0.5
1018.74518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46124	2.2
71.01387	16.0
72.99316	1.5
73.02558	0.5
73.02948	4.8
82.05447	0.3
83.01393	4.5
85.02959	12.9
86.00112	0.6
87.00872	1.0
89.02454	6.6
93.03473	0.4
95.01379	1.1
96.96022	1.5
97.02961	0.4
99.00865	1.4
101.02448	17.4
103.04011	1.2
112.01661	0.5
113.02467	6.5
119.03510	1.6
131.03513	14.7
145.05003	0.4
161.04491	0.9
191.05629	0.7
261.76660	0.3
290.28186	0.3
397.27487	0.5
421.31250	0.6
423.29108	1.0
439.32047	0.9
456.37326	0.3
462.79926	0.4
501.32321	0.5
535.34192	0.4
537.32086	0.4
571.36572	2.7
615.35291	0.6
633.36389	0.4
717.42114	4.9
718.42596	0.6
779.42224	9.9
780.42444	0.7
795.41895	1.2
802.95819	0.4
879.47498	3.8
941.47528	100.0
942.47913	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	1001.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	14.4
72.99306	5.3
73.02947	4.7
83.01411	3.5
85.02956	10.6
86.03265	1.0
87.00871	2.8
88.98820	5.7
89.02449	5.3
92.07118	0.7
93.03459	3.7
95.01384	1.8
96.96001	2.7
98.19891	3.1
99.00874	2.5
101.01815	1.0
101.02453	12.8
103.04005	1.3
113.02457	6.8
115.04012	0.8
119.03487	0.8
121.02881	0.8
125.02465	1.1
131.03485	3.8
132.03775	1.0
135.04550	0.8
137.02501	0.8
143.03491	0.8
150.03221	0.9
161.04530	1.8
165.01996	1.1
173.04535	2.9
177.01926	1.7
191.05588	5.3
192.04288	1.8
195.06577	0.9
207.06671	1.7
323.98273	0.8
384.69342	0.8
449.14441	4.0
450.14584	1.1
453.33737	2.4
471.34885	1.2
488.11267	0.8
598.27087	0.7
702.30292	0.8
703.44720	1.0
704.44617	1.7
761.44098	0.8
766.44830	0.9
779.45886	100.0
780.46259	11.8
817.89258	0.9
821.46454	1.0
838.97607	2.1
839.47412	0.9
855.45148	0.8
865.49188	1.6
866.50250	1.0
877.70703	0.8
911.49493	1.9
912.51001	0.9
919.49603	3.7
919.99542	18.2
920.49615	6.5
921.00891	1.0
927.49323	3.2
928.50214	2.8
929.49695	1.2
941.47510	6.2
1001.03021	5.7
1001.53265	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	1001.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99905	0.4
71.00240	0.2
71.01388	0.2
72.99300	1.0
80.35351	0.2
87.00893	0.7
88.00417	0.7
88.98814	100.0
89.02444	2.0
89.99147	0.7
96.95993	0.2
116.92906	0.2
230.60365	0.2
279.55255	0.2
283.18887	0.2
337.14539	0.2
911.50287	1.2
912.50281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	29.6
71.57152	1.1
72.99295	2.2
73.02953	7.2
74.09198	0.6
75.00842	0.9
78.91354	0.6
81.03446	0.7
83.01392	6.2
85.02959	19.8
86.00130	1.0
87.00872	2.5
88.98814	28.7
89.02457	14.6
93.03466	4.0
95.01389	2.2
96.92178	0.8
96.96027	1.5
97.02956	1.1
99.00888	2.3
101.02455	31.0
103.04013	2.1
106.29621	0.7
107.91791	0.6
109.02961	1.7
111.00902	0.8
112.01661	1.0
113.02469	12.7
119.03458	3.3
121.02988	1.4
122.03722	1.9
123.00896	1.1
131.03510	20.9
134.03745	1.1
135.04558	1.2
136.01637	2.6
137.02461	4.4
139.03955	0.8
143.03456	0.9
149.02483	5.1
150.03238	12.7
151.00400	3.8
151.04030	6.2
153.05560	0.8
161.02434	0.8
161.04620	1.5
164.04846	1.6
165.01941	12.6
165.05573	12.0
166.02730	7.7
173.04521	1.9
176.01009	0.8
177.01910	2.9
178.02744	0.7
179.03471	4.4
179.07150	1.7
180.04297	7.1
181.05075	12.8
191.05620	5.7
192.04257	3.1
195.06641	15.6
207.06595	3.4
209.08205	1.0
210.05301	1.5
219.06548	0.8
223.06261	0.7
225.07689	7.4
275.09189	0.9
373.12860	1.0
417.15530	2.4
421.15497	0.8
421.31079	2.8
439.32379	0.7
449.14780	1.3
467.15512	1.5
471.34576	0.7
553.35339	1.2
565.20715	1.7
595.21777	3.0
613.22229	0.8
643.23792	1.5
699.40887	8.0
703.43909	1.1
704.44214	0.8
717.42126	4.7
735.43146	0.9
743.26093	1.8
749.44849	9.8
750.45020	8.1
751.45410	2.9
773.27942	2.3
779.42072	6.8
791.29840	2.5
791.45123	0.8
821.30286	1.7
838.47870	2.3
838.97241	12.4
839.31372	2.5
839.47729	7.0
839.98334	2.5
861.46576	13.8
862.46869	2.3
865.49347	1.7
867.49603	0.9
879.47418	12.9
880.46960	1.6
897.47760	2.1
920.00336	2.6
920.49402	1.6
928.50403	1.0
929.51483	0.9
941.47644	100.0
942.47852	13.0
1001.37207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.1
69.07079	0.7
69.37502	0.4
69.37902	1.9
71.01368	0.6
73.02918	2.9
79.05495	2.5
81.03423	1.6
81.07049	2.7
81.39311	0.3
85.02906	4.3
91.03967	2.8
91.05461	1.6
93.07037	2.4
93.55411	0.2
95.04986	0.3
95.08622	2.2
97.02890	4.2
97.06554	0.4
99.04480	0.7
101.02399	1.9
103.03959	0.3
105.07052	0.7
107.08607	1.4
109.02900	0.3
109.10185	0.8
115.03957	0.5
119.08620	0.9
120.22086	0.2
120.88827	0.2
121.10168	0.9
122.50145	0.2
123.11827	0.2
127.03928	1.1
129.64333	0.2
133.10143	0.3
135.11729	0.6
142.89911	0.2
145.10190	0.4
147.11681	0.3
148.37811	0.2
149.13380	0.3
149.66141	0.2
159.11737	0.3
162.37993	0.2
167.64069	0.2
172.73555	0.3
185.04272	1.0
201.03719	0.4
203.05327	0.6
243.08434	1.7
259.07922	0.4
286.39435	0.3
333.20367	1.8
335.25888	0.4
347.09521	1.5
363.09244	0.7
365.10724	0.9
389.22977	0.3
405.13644	5.5
405.18442	0.3
413.12881	0.3
453.21545	0.3
493.24374	0.4
519.29315	4.6
520.30182	0.4
551.28241	2.4
681.34601	6.0
713.33801	2.3
829.50806	0.9
893.47815	0.3
991.56024	100.0
992.56384	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	1001.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02923	0.2
87.00883	2.0
88.00416	1.6
88.01225	0.2
88.98816	100.0
89.02449	10.7
89.99132	0.4
140.57945	0.1
154.59326	0.2
229.36008	0.3
380.98059	0.2
647.20770	0.2
749.45673	0.5
750.45142	0.2
941.48395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62762	0.9
71.01393	0.3
82.75328	0.1
84.52650	0.1
87.00875	1.4
88.00414	1.4
88.01230	0.1
88.98817	100.0
89.02451	9.3
89.03019	0.3
89.99154	0.5
98.19908	0.1
101.02442	0.2
113.02370	0.1
131.30142	0.1
135.04514	0.1
191.05582	0.2
235.57730	0.1
266.73630	0.1
327.21716	0.3
749.45001	0.6
750.45630	0.2
751.46283	0.1
779.46356	0.2
1001.45538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	0.5
71.60606	0.3
72.16734	0.2
79.96002	0.2
84.96029	1.9
85.02914	0.5
94.64414	0.2
97.02911	0.5
98.97581	13.7
102.97047	0.3
105.01973	0.2
110.97577	2.1
112.99154	1.4
116.98625	5.8
124.99100	2.3
128.98592	2.6
131.00159	1.4
134.99678	1.4
140.98587	0.9
143.00159	6.2
143.01234	0.4
144.64371	0.3
144.98079	0.4
146.99619	0.9
149.01241	0.5
152.98592	0.5
155.00221	0.4
156.98070	0.5
158.99657	7.2
161.01231	6.5
162.99181	0.3
170.99623	2.1
173.01254	0.7
174.99199	0.9
177.00702	5.3
177.02141	0.4
179.00191	0.7
179.02228	0.6
182.99606	1.4
185.01230	3.5
189.00687	2.8
191.02516	0.3
197.01268	0.9
201.00711	3.6
203.00246	0.9
203.02310	2.0
207.01752	0.6
209.01266	0.5
211.02744	1.2
213.00700	0.5
215.02313	0.5
219.01768	6.2
221.01187	6.2
221.03174	0.4
225.00845	0.4
229.03789	0.3
231.01791	0.4
237.00693	0.8
237.02731	2.7
239.02264	24.0
240.02632	0.5
243.01805	0.6
244.02985	0.4
245.03273	0.5
249.00681	0.3
249.02808	0.6
250.04182	0.3
255.01715	1.3
256.02618	0.4
257.03345	18.0
261.02960	0.4
262.03903	0.7
263.02261	2.4
273.02850	0.6
275.04486	0.8
279.04007	0.5
281.03345	6.9
285.02823	0.5
293.03259	0.6
299.04449	1.9
305.03531	0.3
311.04385	1.1
317.03241	0.6
323.04507	0.4
325.06042	0.5
333.05148	0.6
335.04510	0.3
341.05527	0.3
365.05429	1.5
383.06500	16.0
384.07050	0.4
401.07532	1.2
424.08847	0.3
455.08694	0.5
464.31595	0.3
483.35214	0.4
515.10748	100.0
516.10992	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	988.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	11.2
69.07062	0.7
69.78616	0.5
71.04996	3.5
71.61365	0.6
73.02913	3.9
79.05489	1.1
81.03418	15.9
81.03899	0.9
81.07058	1.2
83.04996	3.3
85.02905	59.3
85.95408	0.5
87.04456	1.2
90.33864	0.5
91.03941	0.9
91.05460	1.1
93.07069	1.2
94.04189	1.5
95.04977	0.8
95.08640	1.4
97.02893	33.3
98.97600	2.9
99.04455	41.0
103.03941	66.7
107.08582	2.1
109.02882	24.6
109.06522	0.7
109.10137	1.2
110.97549	0.7
111.04463	0.8
115.03916	1.8
115.05455	3.7
116.98618	1.7
117.07014	0.9
121.06448	0.7
121.10139	1.8
122.03669	2.8
125.05998	0.7
127.03913	100.0
128.04256	0.8
128.98575	1.1
129.07031	2.8
131.04942	1.6
131.08534	0.7
133.10103	2.1
134.99599	0.5
135.08017	1.0
135.11681	0.6
137.05978	45.5
137.09622	1.8
138.06342	0.7
143.00194	1.0
143.04898	5.2
144.05623	1.0
145.04958	57.4
149.13187	1.3
151.03905	1.1
151.07561	1.3
151.11201	3.6
152.11609	0.7
153.05486	1.6
153.12767	2.1
157.06438	3.5
158.99619	1.1
160.05194	8.5
161.04539	0.6
161.06017	1.5
163.06023	54.7
163.07516	2.2
163.14896	0.6
165.05473	0.9
169.04974	2.5
170.99586	0.6
172.05234	0.9
173.13306	1.2
174.06773	2.2
175.07549	51.1
176.08044	0.6
179.05476	0.9
179.06992	0.6
187.06007	5.7
187.07561	21.1
189.00743	0.9
189.09065	5.4
191.06860	0.8
191.14302	5.7
192.14693	1.1
199.07648	0.9
201.09134	0.8
203.08627	0.9
205.06985	2.7
205.08630	11.1
209.08110	1.7
209.15387	9.0
210.15662	1.0
211.07628	1.1
217.08643	3.4
219.01866	2.3
219.10133	0.7
227.09230	0.6
229.07140	0.9
231.08064	1.5
235.06000	1.4
235.09650	19.0
237.02863	2.4
245.10275	1.2
247.07693	1.3
248.08305	1.9
249.02911	0.6
251.10507	0.6
253.06989	5.1
255.06596	0.5
261.09354	0.9
263.10712	2.3
265.08572	0.9
270.08810	1.2
271.07895	16.9
276.07922	1.1
277.08734	0.6
279.10129	1.8
281.10886	0.6
283.09564	1.3
287.07590	2.4
289.09146	15.6
291.10153	4.9
293.08163	0.9
296.10373	0.9
305.08615	2.8
307.10205	20.7
307.13593	1.2
308.10489	1.0
311.12622	3.6
323.12836	8.7
324.13361	0.6
325.14206	3.0
335.09506	1.0
341.13837	25.3
342.14084	0.7
357.13361	1.3
371.20688	1.4
379.10019	0.7
383.15149	0.8
389.14478	0.7
397.11127	0.6
415.11325	1.1
487.21442	16.5
503.21069	1.7
503.71619	1.1
504.21387	1.9
504.71872	0.9
505.21021	1.0
522.72260	1.4
523.22491	0.8
541.15387	1.1
559.16534	1.7
577.17609	1.3
602.87482	0.6
1009.27460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	8.3
69.06705	1.7
69.07065	22.6
69.55311	7.5
70.32246	1.1
71.05000	5.0
71.08622	1.2
73.02908	3.0
77.03903	1.7
79.05492	63.9
81.03420	8.8
81.07058	80.5
83.04978	8.6
83.08606	12.3
85.02908	11.4
85.06522	4.8
91.03944	4.2
91.05480	56.8
91.06066	2.0
93.07044	71.0
95.04962	7.8
95.08607	60.8
95.09081	0.8
95.09232	2.1
97.02895	9.3
97.06529	10.2
97.10159	6.5
98.21550	1.7
99.04449	1.3
99.08077	3.9
103.05482	1.8
105.04530	2.8
105.07034	39.3
107.05003	4.9
107.08594	42.5
109.02863	2.4
109.06519	7.9
109.10151	29.1
111.08094	5.2
115.05405	2.6
117.07018	21.5
119.07779	2.1
119.08580	32.9
121.06511	2.8
121.10146	30.1
123.08083	5.9
123.11705	7.8
125.09613	3.8
127.03888	5.0
128.06224	2.3
129.05460	2.2
129.07004	9.9
131.08568	28.0
133.06540	1.3
133.09219	1.9
133.10133	27.8
135.08070	4.2
135.11697	17.9
135.86098	1.0
137.09579	4.6
137.13206	1.9
139.11160	1.4
141.06984	2.8
142.07751	1.3
143.08557	7.8
145.04958	3.5
145.06494	2.0
145.10123	19.6
147.07985	1.6
147.11696	15.3
149.05763	1.1
149.09668	5.9
149.13248	10.8
151.11212	1.5
155.08560	2.4
157.10126	7.2
159.11700	18.2
161.09619	1.2
161.13249	5.8
163.06032	1.6
163.11189	4.2
163.14743	2.5
165.12767	1.5
169.10117	3.7
171.11681	5.1
173.04477	2.6
173.11742	2.6
173.13239	10.0
175.11189	1.9
175.14810	3.2
177.12679	2.1
179.14252	1.4
183.11646	4.1
185.13243	4.8
187.14816	4.0
189.12778	1.2
189.16379	1.9
195.13765	3.3
197.13280	1.7
199.14810	5.1
201.12633	1.2
201.16351	1.5
215.17903	1.6
217.15814	3.0
219.17433	4.2
227.12790	5.0
229.14340	10.6
229.19661	2.3
235.16913	3.1
239.18033	2.2
241.19618	1.4
243.21074	4.3
247.20570	1.8
255.15898	3.7
257.19025	7.7
259.20593	3.6
261.22174	11.3
267.15829	2.1
269.17435	17.0
275.17242	2.1
275.20068	25.8
277.21814	1.1
291.19489	2.4
293.21158	2.8
299.23642	1.3
309.20599	13.8
317.24762	2.9
331.22604	4.2
333.24356	2.8
335.25800	100.0
336.26074	2.1
349.19629	2.2
349.23672	25.0
351.25323	1.8
367.24728	4.2
431.31516	1.5
489.35962	8.7
515.37372	10.0
529.38898	53.6
530.38617	1.7
543.23651	1.4
543.40375	4.7
551.40521	1.7
569.41992	32.3
609.45142	38.6
610.45996	2.0
627.46198	9.8
673.43372	2.3
753.48932	1.2
771.49158	1.4
986.55518	4.3
987.52881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	11.8
69.07069	24.6
69.40530	7.2
69.40942	9.2
71.04977	6.3
73.02905	7.5
79.05492	85.6
81.03412	12.2
81.07058	93.9
83.04974	10.7
83.08614	14.0
85.02904	22.7
85.06536	5.6
91.03964	10.0
91.05479	81.1
91.05904	1.7
91.06059	2.9
93.07042	92.1
95.04994	12.2
95.08604	68.2
97.02904	16.5
97.06529	7.5
97.10176	2.4
99.04464	2.5
99.08105	4.4
100.66618	2.1
103.05499	2.4
105.04482	2.7
105.07029	69.6
107.04951	4.4
107.08592	45.0
109.02876	3.9
109.06512	4.8
109.10153	26.0
111.04420	3.0
111.08056	3.9
115.05421	3.5
117.07027	30.0
119.08578	54.8
121.06475	2.1
121.10142	36.7
123.08073	3.5
123.11697	8.0
123.37639	1.9
127.03915	9.1
129.05504	4.9
129.06963	11.0
130.96683	2.3
131.08569	34.9
133.10139	41.6
135.08002	2.9
135.11700	22.7
137.09595	3.0
137.13202	2.5
138.12682	2.2
141.06999	4.7
143.08557	12.3
145.04909	9.8
145.10118	29.9
147.11696	31.9
149.09659	2.6
149.13266	14.4
155.08553	4.4
157.10172	10.2
159.11697	23.1
161.09659	2.9
161.13226	19.9
163.05962	3.0
163.11176	3.1
163.14795	5.3
171.11627	9.9
173.11855	4.5
173.13249	12.0
175.14781	8.5
183.11623	3.0
185.13249	13.2
187.14810	5.9
195.11766	2.2
195.13792	3.3
197.13165	3.0
199.14833	4.8
201.16362	2.2
219.17345	2.7
231.21030	3.4
235.16965	2.0
237.77226	2.2
239.18134	3.0
241.19504	11.7
243.21056	2.9
257.19012	9.3
259.20612	33.7
261.22192	14.1
263.61041	2.5
269.17380	7.7
275.20200	11.4
293.08676	2.3
293.21085	2.9
309.20657	3.9
315.23193	4.4
333.24234	31.5
335.25787	100.0
336.25882	2.2
337.27252	3.4
349.23810	7.1
489.35614	5.8
519.41858	2.3
529.39032	27.2
541.38708	2.6
569.42047	12.0
593.45880	9.5
609.44867	7.5
611.46716	42.1
627.45538	5.2
647.92413	2.4
705.37451	2.3
759.24011	2.9
787.52332	2.3
986.56061	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	984.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.0
69.07059	1.3
71.04991	5.6
73.02920	4.4
73.06559	2.4
79.05484	2.0
81.07057	9.8
83.04968	0.5
85.02903	9.8
91.05473	0.9
93.07044	6.7
95.08600	2.1
97.02885	7.4
97.06532	0.8
98.21465	1.7
107.08595	7.2
109.02887	0.8
109.10159	1.7
115.03941	2.7
121.10125	1.3
125.09659	0.5
127.03949	3.5
133.04968	3.6
133.10126	0.8
135.11699	15.1
137.09595	0.5
145.04956	3.8
147.11710	0.6
149.09587	0.5
149.13284	0.7
151.11136	3.2
153.12746	100.0
154.13077	1.3
155.28604	0.4
163.06010	1.6
163.14816	0.9
171.13834	1.7
173.13266	0.6
191.14272	3.7
209.15364	6.8
219.01674	0.9
221.88698	0.5
223.05914	0.6
237.02802	0.5
241.07117	0.9
252.09384	0.7
256.57990	0.4
259.08124	3.5
277.09238	0.5
295.10110	2.3
303.18057	1.4
348.15875	0.4
371.13702	0.5
371.20804	2.2
465.23395	1.4
482.25928	11.2
484.20877	0.6
500.30487	0.5
502.20993	0.4
503.18683	0.5
503.72144	0.5
519.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.2
69.07070	1.0
71.01326	0.5
71.05006	0.4
71.08643	1.2
73.02919	2.4
79.05500	1.7
79.55255	0.4
81.03413	1.8
81.07059	1.6
82.42460	0.4
83.08624	0.8
85.02896	3.9
91.03971	2.1
91.05502	0.7
93.07059	1.2
95.04974	1.0
95.08619	1.4
97.02882	4.0
97.03391	0.3
97.10206	0.6
98.20715	0.9
99.04443	0.9
101.02401	1.1
105.07039	0.9
109.02903	0.8
109.06513	0.4
109.10188	0.8
119.08632	0.5
121.06606	0.4
121.10165	0.6
127.03955	1.2
140.65007	0.4
145.05028	0.6
172.51056	0.4
185.04346	0.7
203.05278	0.4
213.79266	0.4
243.08421	1.8
313.27643	0.8
322.55862	0.4
347.09521	2.4
347.18457	1.5
363.09103	0.6
365.10715	0.8
403.20935	0.6
405.13605	4.6
479.22739	2.4
497.30923	3.8
565.26245	3.2
641.27972	1.3
659.35992	4.6
727.31519	3.2
821.49554	0.8
897.51764	2.2
983.55475	100.0
984.55273	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	982.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	2.1
69.07067	14.0
71.04989	3.0
71.08633	20.7
71.61855	1.5
71.62287	1.9
73.02905	2.7
79.05492	22.7
81.03398	3.0
81.07057	43.3
83.04979	3.2
83.08624	17.2
85.02895	6.2
85.06516	3.5
85.10180	14.0
91.03950	4.6
91.05492	17.4
93.07035	19.9
94.15785	1.6
95.04980	4.0
95.08038	2.2
95.08608	30.6
97.02879	2.6
97.06520	6.2
97.10158	9.5
99.08067	2.5
105.07030	15.4
107.04951	4.7
107.08591	18.8
109.06506	4.3
109.10159	42.0
111.08069	3.9
117.07040	7.2
119.08575	16.8
121.10136	11.0
123.11691	6.7
125.09611	6.6
125.13096	1.3
127.03915	1.6
127.58585	1.5
129.07037	1.6
131.08534	7.5
133.10149	12.0
135.08073	3.2
135.11671	5.1
137.09589	3.5
137.13187	1.7
145.04875	1.4
145.10123	9.1
147.11668	5.4
149.09596	7.6
149.13237	5.7
151.11162	1.8
155.10658	2.7
157.10147	1.9
159.11705	5.5
161.09624	1.5
161.13275	2.8
163.11215	3.1
173.11765	8.2
195.13800	2.8
213.36879	1.5
217.15765	1.8
227.12796	9.8
229.14355	48.8
239.17909	1.6
239.23750	2.2
257.19022	5.5
257.24765	2.0
269.17419	15.0
275.20081	26.3
293.21140	4.4
313.27371	100.0
314.27621	2.2
331.22757	3.0
339.17813	1.7
349.23706	22.9
367.24768	16.4
373.18738	1.8
465.95190	1.6
467.37341	36.5
507.27231	5.4
507.40451	49.4
508.27475	5.0
546.25256	1.6
547.43439	8.6
587.37970	2.8
587.46729	44.9
588.46558	2.5
605.47858	28.3
613.28088	1.5
691.58228	1.5
692.42920	3.1
695.50281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	3.3
69.07079	1.0
69.31866	0.5
71.62752	0.9
72.04592	0.5
73.02909	3.3
75.28615	0.5
75.70535	0.6
79.05494	2.9
81.03427	1.7
81.07072	2.9
85.02898	4.3
91.03963	2.2
91.05489	2.3
93.07049	3.3
95.08624	1.8
97.02884	3.6
99.04430	0.7
101.02396	1.3
105.07030	1.2
107.08592	1.2
109.02916	0.6
109.06509	1.0
109.10152	0.7
117.07063	0.8
119.08605	1.1
121.10148	1.0
126.81470	0.5
127.03920	0.8
131.08577	1.0
133.10127	0.9
145.10178	0.7
152.46658	0.6
159.11800	0.8
176.25238	0.6
185.04422	0.7
200.62184	0.6
203.05327	1.0
219.17570	0.7
237.47876	0.6
243.08472	2.5
300.31699	0.7
315.19461	2.4
347.09763	2.1
365.10742	1.5
371.21841	0.7
403.78146	0.6
405.13806	4.5
467.19623	0.8
519.29449	4.1
533.27313	4.7
537.60736	0.5
681.34265	4.0
695.32587	3.3
811.48962	0.7
962.07843	0.8
973.54926	100.0
974.55597	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	975.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.5
69.07072	0.6
69.23895	0.8
69.24302	2.7
69.26216	0.3
71.01372	0.4
71.04998	0.4
73.02915	2.5
79.05485	2.4
79.73064	0.3
81.03426	1.2
81.07058	2.0
83.08630	0.4
85.02903	4.8
91.03937	2.5
91.05476	1.7
93.07037	2.4
95.08627	1.4
97.02882	4.6
97.03412	0.4
99.04472	0.7
101.02392	1.4
105.07040	1.5
107.08633	1.2
108.17355	0.4
109.02888	0.7
109.10168	1.0
115.03912	0.6
117.06998	0.5
119.08622	0.6
121.10194	1.1
123.11751	0.4
127.03938	1.3
131.08606	0.6
133.10155	0.7
135.11737	0.6
145.05048	0.4
145.10127	0.4
147.11694	0.5
155.57239	0.3
161.13394	0.4
175.87097	0.3
185.04254	0.9
185.73570	0.3
203.05417	0.6
236.28407	0.4
243.08287	1.6
301.09067	0.5
335.26028	0.5
347.09479	2.7
363.09045	0.8
365.10712	0.9
405.13651	5.4
429.65305	0.3
519.29205	4.1
535.28766	2.8
681.34607	5.5
681.53870	0.4
697.33807	3.5
753.36975	0.5
813.51471	0.9
975.56458	100.0
976.56824	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	3.5
69.07068	29.7
71.04998	4.2
71.61714	5.4
73.02905	5.5
79.05493	86.5
81.07059	93.1
83.08611	13.7
85.02896	22.6
86.02676	3.4
91.03955	14.8
91.04961	5.5
91.05484	87.6
93.06456	6.1
93.07047	94.1
95.04988	16.0
95.08603	76.4
97.02879	13.5
97.06509	3.8
97.10178	6.8
105.06374	5.6
105.07034	88.4
107.08601	51.8
109.06490	4.1
109.10160	27.9
115.05452	3.5
117.07023	30.2
119.07781	4.7
119.08582	57.9
121.10149	48.0
123.08044	4.9
123.11699	6.4
123.62993	3.0
127.03899	5.9
129.06992	9.4
131.08575	36.2
133.10139	55.3
135.11690	34.4
143.08556	12.1
145.05003	7.6
145.10118	42.6
147.11691	38.9
149.13260	16.4
157.10117	14.3
159.11685	28.2
161.13300	26.1
163.05988	6.0
163.11189	3.9
163.14815	5.9
171.11668	17.7
173.13206	15.1
175.14810	10.4
183.11731	8.6
185.13239	13.8
187.14796	7.3
189.16367	4.1
197.13155	3.6
199.14806	8.6
213.16454	4.1
217.19481	3.1
231.21025	6.1
239.18050	3.3
241.19586	18.7
243.21095	5.9
257.18973	9.5
259.20572	79.8
261.21991	15.7
271.20343	4.0
297.22076	3.2
315.23160	3.4
333.24216	65.0
334.24777	3.6
335.21973	6.0
335.25815	100.0
337.27539	7.8
385.23343	3.5
403.24695	4.2
519.42017	7.9
593.45563	16.5
611.46686	89.0
612.46521	4.7
624.05646	3.7
694.71594	3.6
970.57764	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	969.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.6
69.03426	2.5
69.03709	0.3
69.07065	0.7
69.84196	0.5
69.84608	1.4
71.01383	0.4
71.08643	0.8
71.36286	0.3
73.02928	2.6
76.11133	0.3
79.05500	1.7
81.03423	1.5
81.07053	2.9
83.08633	0.5
83.10610	0.3
85.02898	4.0
85.10197	0.8
91.03967	2.7
91.05498	1.3
93.07028	1.6
95.04984	0.5
95.08598	1.6
97.02894	4.4
97.06559	0.4
99.04449	0.8
99.55970	0.3
101.02386	1.1
105.07041	0.6
107.08630	0.8
109.02905	0.4
109.10173	0.7
115.04006	0.4
117.06990	0.3
119.08588	0.5
127.03936	1.6
133.10161	0.3
135.11736	0.4
185.04271	1.0
203.05254	0.5
243.08392	1.4
313.27325	0.7
333.20483	0.9
335.25983	0.4
347.09311	1.8
356.68994	0.3
363.09180	0.6
365.10706	1.1
389.23129	0.7
405.13779	4.6
405.18661	0.5
439.19818	0.6
453.21213	0.9
469.20676	0.4
497.30731	4.4
551.28119	4.8
601.25220	0.3
615.26196	0.4
659.36182	3.6
713.33490	4.4
807.52496	1.3
967.60962	0.4
969.57562	100.0
970.57965	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	968.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	1.3
67.05506	23.1
69.07060	8.9
69.42425	6.8
69.42855	4.3
71.59281	1.1
72.48032	1.2
73.91331	1.1
79.05486	20.5
81.03400	1.5
81.06570	1.8
81.07055	35.1
83.04980	2.2
83.08607	3.9
85.06538	2.1
91.05475	22.1
93.07046	24.6
95.04964	3.2
95.08603	19.2
97.06493	3.5
99.04517	1.4
105.07037	20.4
107.04960	4.6
107.08604	12.8
109.06527	7.6
109.10146	8.4
117.07027	9.0
119.08583	15.4
121.06480	1.7
121.10146	9.8
123.08068	1.6
123.11716	1.7
129.07018	2.3
131.07866	1.1
131.08571	12.4
133.10139	9.1
135.08032	1.9
135.11676	4.7
137.09668	1.6
143.08527	2.4
145.10107	7.5
147.11656	5.7
149.09651	2.9
149.13202	2.9
159.11699	5.5
161.13286	2.0
171.11710	1.3
173.13326	2.3
185.13243	2.2
194.37158	1.3
196.67114	1.2
201.16368	2.0
219.17441	58.9
220.17732	1.7
223.77650	1.2
257.18958	1.8
267.16016	1.6
275.20078	18.5
284.70663	1.4
293.20993	1.3
304.36945	1.1
317.24673	1.1
335.25812	43.1
335.29868	2.0
349.23737	15.9
524.49591	1.3
609.45142	100.0
610.45105	3.7
712.49860	1.4
969.56067	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	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	2.9
67.05505	46.9
69.03442	8.0
69.07069	21.2
71.04983	4.5
71.08636	30.5
71.62154	1.2
79.05496	30.1
81.03420	11.6
81.07062	54.3
83.04971	7.6
83.08627	18.4
85.02910	9.5
85.06535	3.1
85.10188	12.6
91.03957	5.2
91.05480	30.7
91.06009	2.9
93.07046	35.5
95.04967	6.2
95.08036	3.3
95.08609	43.3
97.02891	6.5
97.06532	8.7
97.10192	8.6
99.04473	1.7
99.08079	3.1
101.40944	1.8
103.07545	1.6
105.07042	23.7
107.04971	8.5
107.08598	19.7
107.82597	1.6
109.06519	5.6
109.10154	22.4
111.08083	3.8
117.07029	11.0
119.08594	16.5
120.56831	1.8
121.06510	4.9
121.10153	15.1
123.11710	5.0
125.09624	2.9
127.03944	4.8
129.05489	2.2
129.07025	5.0
131.08583	14.8
133.06480	2.0
133.10127	16.5
135.08020	3.1
135.11684	9.8
137.09566	1.7
137.13226	2.0
139.11174	2.1
143.08580	5.1
145.04962	1.7
145.10117	12.7
147.11638	8.7
149.09602	8.5
149.13271	6.9
151.11240	2.3
155.08571	2.6
157.10144	4.3
159.11694	11.4
161.13229	4.5
163.11206	3.8
165.12854	1.9
169.10179	2.5
171.11636	2.2
173.04486	2.5
173.11914	1.6
173.13298	5.9
181.12119	1.8
183.11710	2.3
195.13847	5.8
199.14938	1.6
217.15950	3.0
227.12848	3.9
229.14383	7.8
235.16972	2.0
239.17972	3.4
239.23708	3.2
240.61031	1.6
247.20697	1.7
255.15863	11.4
257.18985	6.4
267.15863	2.2
269.17508	30.0
275.20035	24.6
291.19583	3.8
293.21118	3.7
309.20551	6.4
311.25693	1.8
313.27374	100.0
331.22562	4.0
349.23703	24.7
367.24588	4.7
467.37134	6.2
493.38922	16.9
507.40469	76.9
507.48001	3.7
508.40228	3.3
547.43872	17.8
587.46637	38.6
605.47504	12.8
637.72845	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64091	0.4
69.07098	0.4
69.85545	0.8
69.85973	1.5
74.47645	0.3
95.08639	0.5
95.34888	0.4
104.27230	0.4
111.25376	0.4
187.68575	0.4
202.97232	0.4
237.02820	0.4
237.77376	0.4
381.51965	0.4
515.20734	0.4
535.92566	0.4
671.37915	0.4
683.55389	0.4
791.99133	0.4
951.47021	100.0
952.47223	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	951.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61388	1.3
90.14577	0.9
93.07021	0.9
93.81977	0.9
95.04984	1.3
109.90925	0.9
123.94735	1.0
353.76138	1.1
401.79630	1.1
843.72839	1.1
951.47089	100.0
952.47327	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	954.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	70.4
69.03410	3.2
69.07067	14.5
70.89075	1.8
71.04974	2.4
73.02930	4.1
77.03931	1.1
77.34452	0.8
79.05494	42.8
81.03405	1.5
81.07056	69.8
82.07383	1.2
83.04975	2.1
83.08607	8.1
85.02902	18.8
85.06545	1.6
91.03960	13.6
91.05479	30.2
93.07044	52.3
95.04966	4.2
95.08604	55.4
97.02890	11.1
97.06523	3.1
97.10180	3.8
99.04425	1.5
99.08064	0.9
101.68092	0.9
105.04456	1.1
105.07027	25.9
105.32220	0.8
107.08591	25.9
109.06516	2.8
109.09440	1.6
109.10155	24.7
111.08071	1.7
115.03927	1.0
117.07013	9.0
119.07781	1.3
119.08580	19.2
121.10139	23.3
123.08061	1.2
123.11700	9.0
125.09654	1.8
127.03964	4.2
128.06181	0.8
129.07008	3.2
130.07823	0.9
131.08563	14.7
133.10139	15.8
135.11690	17.8
137.09625	1.9
137.13217	2.9
139.11191	1.0
143.08559	3.5
145.04955	6.6
145.10112	13.8
147.11693	10.7
149.13261	11.3
151.14755	1.2
155.08484	1.0
157.10136	2.4
159.11699	10.4
161.13257	9.3
163.06012	7.2
163.11201	1.0
163.14830	4.8
168.38635	0.8
169.10199	0.9
171.11682	3.0
173.13289	8.7
175.14827	3.6
177.12651	0.9
177.16396	2.6
179.14284	1.4
183.11676	1.1
185.13231	2.3
187.14868	3.9
191.14072	0.8
199.14835	1.7
200.15457	0.9
201.16444	1.1
213.16402	1.5
227.17964	1.0
231.21205	0.9
233.22717	1.0
241.19533	3.9
243.21146	5.3
245.22685	1.1
259.20554	11.4
261.22128	21.1
263.23718	2.0
277.21643	0.9
317.24734	3.4
333.24213	7.8
335.25797	100.0
336.26221	3.7
337.27359	13.4
353.26962	1.1
513.08612	0.9
521.43262	2.7
539.44769	1.0
567.30304	0.9
595.47168	17.6
613.48248	22.2
954.58716	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	946.537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	6.8
69.03429	14.5
69.07070	8.0
69.75491	0.9
69.96298	0.9
70.50990	0.9
71.04987	10.0
71.62072	1.3
73.02920	8.8
79.05496	4.5
81.03432	4.9
81.06584	1.5
81.07059	23.1
83.04986	5.4
83.08631	4.5
85.02907	49.0
85.03427	2.3
87.04472	1.4
91.03931	1.4
91.05481	5.6
93.07043	10.7
95.04950	1.2
95.08609	37.6
96.51052	0.9
97.02898	22.3
97.10139	3.6
99.04451	3.1
99.08100	2.3
103.03979	1.5
105.07035	12.1
107.08595	21.3
108.08879	1.0
109.02876	3.5
109.06538	5.6
109.10159	18.0
111.04427	3.5
115.03928	6.1
117.06982	2.6
119.08583	25.1
121.10146	19.5
123.08080	1.0
123.11709	12.9
125.06044	0.9
127.03943	10.2
129.05478	5.9
129.06967	1.4
130.07875	1.2
131.08569	10.8
133.04965	5.7
133.10132	16.2
135.04486	1.1
135.11705	12.3
137.05931	1.3
137.13264	9.3
141.07008	1.0
143.08565	5.4
145.04948	12.7
145.10117	18.5
147.06531	3.0
147.11687	13.4
149.13295	12.4
155.08511	1.3
157.10118	5.5
159.11693	12.5
161.09619	1.3
161.13281	8.4
163.05995	6.3
163.07385	1.8
163.11267	1.1
163.14839	5.7
167.07047	1.9
169.10143	1.4
171.11678	4.9
173.13309	7.1
174.05560	1.0
175.11084	1.2
175.14836	9.0
177.09079	2.1
177.16402	8.1
179.14249	1.2
183.11670	2.3
185.13249	17.7
187.14847	10.1
189.16388	10.7
191.17950	35.4
192.18362	1.9
199.06004	1.1
199.14812	8.6
201.16386	22.2
203.14333	21.1
203.17926	11.7
205.19493	3.9
211.14888	2.2
213.16382	13.9
215.17961	6.4
217.19484	4.4
219.13768	2.8
219.17361	1.6
219.21222	1.8
223.05998	1.9
225.16365	1.1
227.17943	3.2
229.15817	1.5
229.19527	2.3
231.13841	1.2
231.17505	1.6
233.15239	1.1
235.35733	1.0
239.17996	2.3
241.07077	2.2
241.19475	5.4
243.20935	1.1
245.15347	4.8
247.16930	9.8
249.14877	20.5
251.61606	1.1
253.19498	2.3
255.21181	2.8
259.08127	3.9
259.16977	10.0
259.19644	1.2
259.20520	1.0
261.18530	1.5
267.12070	1.1
267.21082	1.5
269.22525	1.1
273.18445	2.1
277.09286	1.3
279.10776	1.3
285.18585	1.6
287.20035	5.8
295.10217	4.5
295.24133	1.2
299.19965	2.9
301.21732	1.7
313.21570	1.3
391.33585	8.9
405.35684	1.4
407.32889	1.5
409.34705	14.0
411.36212	1.8
423.36255	3.0
427.35504	2.3
435.32401	1.4
437.34183	100.0
438.34503	3.1
453.33505	2.8
455.28967	1.6
455.35272	26.5
456.35660	1.6
471.35266	1.0
557.38409	2.1
617.40564	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	946.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.9
69.03431	14.0
69.07074	9.5
71.01347	1.5
71.05002	5.0
71.12455	0.9
71.12753	1.3
73.02920	10.7
79.05481	5.1
81.03402	3.9
81.07060	21.6
83.04954	2.5
83.08617	6.5
85.02904	47.2
86.03239	1.0
91.03945	2.5
91.05476	5.9
93.07051	12.8
95.04984	1.1
95.08611	44.6
97.02894	23.7
97.10166	3.3
98.97567	1.1
99.04440	2.6
99.08066	2.4
105.07032	9.9
107.08595	24.5
109.02866	3.8
109.09449	1.2
109.10165	19.0
111.04465	1.6
111.11726	1.4
115.03928	8.4
117.07034	1.4
119.08582	20.5
121.09288	1.6
121.10143	20.6
123.11725	11.5
127.03910	12.5
128.41011	0.8
129.05466	2.4
129.07007	1.3
131.08568	10.1
133.04977	9.0
133.09230	1.4
133.10147	17.0
135.11690	14.9
137.13245	10.4
143.08549	3.7
145.04945	17.0
145.10123	13.6
147.11697	12.4
149.05876	1.0
149.13274	15.3
151.14777	2.0
153.09056	1.2
155.08521	1.5
157.10185	4.6
159.11694	10.7
161.13229	6.9
163.03889	1.0
163.06003	4.8
163.07468	2.1
163.14854	5.1
167.06952	0.9
169.10141	2.8
171.11707	5.1
173.13272	10.8
175.14801	6.3
177.09140	1.8
177.16376	8.9
179.14323	1.4
179.17926	2.4
181.04970	1.1
183.11620	2.0
185.13315	8.3
185.14859	1.4
187.14812	10.8
189.16396	11.9
191.14334	1.4
191.17957	35.4
192.18346	1.2
197.13164	2.2
199.05861	1.1
199.14830	8.9
201.16388	23.9
203.14334	4.4
203.17966	11.8
205.12201	1.0
205.16002	1.3
205.19566	4.8
207.17433	1.7
207.21063	1.0
211.14854	1.8
213.16389	14.0
215.17970	3.3
217.07112	1.2
217.12248	1.3
217.19502	3.2
219.13792	1.5
219.17450	2.0
223.06033	1.8
225.16321	1.6
227.17972	3.2
229.15903	1.7
229.19547	2.0
231.13786	1.8
231.17421	3.0
231.21136	2.0
233.15405	1.5
239.17857	2.6
241.07004	3.6
241.19447	6.3
243.21021	1.4
245.15373	3.6
245.22491	0.9
247.16942	8.0
249.14847	7.3
253.19473	3.5
255.21117	2.5
257.15384	1.4
257.19226	0.8
257.22552	1.3
259.07993	4.5
259.16949	10.1
263.16544	1.0
267.20969	2.3
271.16919	1.8
273.18594	2.0
277.08929	1.2
281.22684	1.1
285.18463	4.9
287.20044	4.0
295.10284	4.3
295.24362	0.9
299.19919	4.9
301.21274	1.1
313.21463	2.1
325.11401	2.1
349.28766	1.0
367.26062	1.1
376.30945	0.9
391.33600	11.4
393.35217	2.0
409.34674	8.5
411.36145	2.0
419.33041	2.0
425.34192	1.6
427.35532	1.3
437.34177	100.0
438.34338	3.7
453.33835	1.0
455.35260	30.6
471.30893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	4.0
69.03433	14.7
69.07063	3.2
71.01353	2.2
71.04992	51.1
71.61569	2.4
73.02910	5.5
74.76170	1.6
75.04488	4.5
79.05504	1.9
81.03419	2.5
81.07059	5.7
83.04977	18.9
83.08625	2.6
85.02904	100.0
87.04480	2.3
91.05474	2.6
93.07050	6.0
95.08610	9.1
97.02896	20.2
99.04443	1.8
105.07025	8.1
107.08612	9.9
109.02871	2.5
109.10136	5.9
111.04448	12.5
115.03950	14.0
119.08569	13.4
121.10134	6.7
123.11701	2.5
127.03940	8.4
129.05479	35.6
131.08565	5.6
133.04950	3.1
133.10155	8.1
135.11693	10.4
139.03905	2.0
143.08606	2.3
145.04942	4.4
145.10112	9.5
147.06519	16.5
147.11684	6.6
149.13266	3.1
153.05487	1.8
157.10146	3.9
159.11688	13.8
161.13252	6.1
163.05946	1.5
163.14783	2.2
163.50459	1.7
169.04987	1.9
169.10167	1.8
171.06544	2.5
171.11597	3.4
173.13245	9.1
175.14928	3.4
183.11681	6.0
185.13237	5.2
187.14795	5.1
189.16406	10.4
191.14265	2.2
191.17874	4.2
197.13242	1.5
199.14845	5.2
201.12741	18.5
201.14558	2.2
201.16275	9.0
203.14287	3.7
203.17970	3.5
207.17482	7.2
211.14821	2.1
213.16408	3.8
215.14262	3.1
215.17964	5.2
217.15918	1.7
218.84250	1.6
219.13785	3.7
225.07567	7.0
227.17958	2.0
241.19514	2.7
243.08600	6.3
245.15404	3.4
247.13319	11.6
249.14757	3.4
255.08766	2.1
261.09589	2.4
261.14807	7.2
279.10712	6.3
309.11844	3.9
349.82150	1.5
363.30389	4.5
381.31506	35.6
389.32129	5.0
398.82791	1.7
405.31516	13.1
407.32840	3.5
423.32571	14.2
425.34039	3.9
433.31097	11.7
451.32147	26.6
469.33081	32.9
821.46326	5.8
847.45978	1.7
908.76312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.3
67.52850	1.3
69.03438	15.0
69.07076	3.3
70.75819	4.0
71.01340	1.7
71.04995	45.0
73.02924	6.7
75.04466	5.9
79.05508	2.6
81.03409	2.7
81.07069	7.2
81.39151	1.4
83.04524	1.9
83.04985	17.6
83.08602	1.4
85.02905	100.0
87.04456	3.7
88.10592	1.2
91.05479	2.5
93.07043	6.6
95.04980	2.1
95.08615	9.7
97.02900	21.2
97.06483	1.7
99.04483	2.4
105.07018	6.1
107.08576	11.6
109.10161	4.9
111.04447	11.6
113.05921	1.8
115.03925	13.7
119.08569	14.5
121.10165	7.6
123.11715	3.0
127.03910	5.4
129.05487	45.0
131.08556	5.1
133.04953	4.1
133.10129	10.3
135.11693	7.4
137.06046	2.2
139.03929	2.6
143.08565	5.0
145.04970	3.3
145.10114	12.4
147.06528	17.9
147.11655	5.7
149.13268	2.2
156.09305	1.6
157.10135	5.7
159.11649	9.2
161.13248	4.7
162.07735	1.4
163.14830	2.4
169.10124	2.1
171.11653	6.5
173.13245	6.3
175.14841	6.0
177.16376	5.0
179.14320	1.5
183.11700	3.8
185.13261	4.5
187.14830	8.9
189.16341	7.1
191.14388	1.8
191.17953	2.1
197.13281	3.3
199.14798	6.0
201.12737	3.9
201.16396	9.4
203.17964	4.0
207.17502	2.0
211.14861	3.8
213.16418	4.8
215.17979	3.2
217.15900	2.0
223.14786	1.5
225.07585	5.8
225.16586	1.6
227.17981	1.9
229.15894	3.4
229.19489	2.0
241.19598	1.4
243.08543	6.9
243.13817	2.0
245.15385	3.4
247.13359	2.7
247.16827	2.5
251.17824	1.9
255.08730	2.4
257.15384	6.4
261.09665	1.7
261.14780	1.9
273.09698	2.1
275.16354	1.9
277.19513	1.6
279.10818	9.0
297.18384	2.6
309.11957	1.7
311.20078	1.7
381.31451	13.6
389.31839	9.3
405.31644	8.6
407.33044	1.7
423.32584	5.0
433.31061	32.1
434.31320	1.7
451.32101	55.6
452.32526	2.0
469.33258	16.9
692.07928	1.7
888.91083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.3
69.03427	12.4
69.07059	3.2
71.01351	1.2
71.04996	44.6
71.61652	1.0
73.02908	5.4
75.04485	4.3
78.03441	0.9
79.05492	1.9
81.03416	2.3
81.07056	7.9
83.04981	12.7
83.08603	1.1
85.02905	87.4
87.04447	2.8
91.03947	0.8
91.05454	2.9
93.07019	5.0
95.04937	2.6
95.08610	10.6
97.02890	19.2
97.06525	1.4
99.04436	2.4
105.07029	7.8
107.04920	1.5
107.08597	8.4
109.02862	1.7
109.06500	0.9
109.10170	6.6
111.04445	7.5
111.08064	1.0
115.03930	9.2
117.06969	1.6
119.08572	13.3
121.10119	5.9
123.04412	1.1
123.08049	1.1
123.11684	3.6
125.06064	0.9
127.03916	6.1
129.05484	24.6
131.08582	5.2
133.04951	1.8
133.06506	1.3
133.10129	6.6
135.04312	1.2
135.08018	1.7
135.11670	6.2
137.05952	1.1
137.13239	1.3
139.03902	2.2
142.07785	1.2
143.08528	3.6
145.04993	5.2
145.10114	8.7
147.06520	11.8
147.11690	5.6
149.13200	2.7
153.05493	1.1
155.08536	2.4
156.09409	1.3
157.10139	5.7
159.08064	1.4
159.11652	7.5
161.09566	1.3
161.13249	3.7
163.14821	2.2
165.07582	1.0
167.07037	2.5
169.10103	3.2
171.06569	1.7
171.11671	4.1
173.09673	1.2
173.13239	7.0
175.11113	1.3
175.14806	4.1
177.16269	1.1
179.10719	1.2
181.04846	2.1
181.10088	2.5
183.11676	3.7
185.09563	2.5
185.13208	5.8
187.14769	3.3
189.16377	1.9
195.11649	3.1
197.13286	2.3
199.11147	3.0
199.14809	3.6
201.12688	3.2
201.16411	1.8
203.14310	1.5
203.17937	1.3
205.12291	1.1
207.11731	1.2
209.13187	4.4
211.14812	2.3
213.13078	0.8
213.16422	2.2
215.14423	1.6
215.17932	1.8
217.15918	1.2
223.14795	1.6
225.07613	5.0
225.16414	2.0
227.14165	1.1
227.17860	1.6
233.18800	0.9
235.14833	1.9
237.12648	1.5
237.16409	2.4
239.14317	3.5
239.18018	1.9
241.15854	3.1
243.08635	4.0
243.13770	1.1
247.13249	1.2
249.16402	2.5
251.14221	3.0
251.17918	2.7
253.15845	3.9
253.19614	1.1
255.08662	1.3
255.17384	1.8
261.09726	2.0
263.18002	1.2
267.17441	3.3
273.09729	2.0
279.10791	4.0
279.17514	1.2
281.18973	1.7
295.10373	1.1
295.20389	1.2
297.18433	1.3
299.16473	1.4
309.11902	2.0
373.28922	2.3
385.28622	2.6
391.29889	3.2
403.30011	10.8
409.30978	2.2
419.29639	5.0
421.31012	41.2
422.31165	1.8
431.29285	2.5
437.30518	18.4
439.32080	100.0
440.32446	2.7
449.30426	14.6
453.30029	3.3
455.31454	15.2
465.30066	1.3
467.31592	26.8
483.31192	2.2
485.32626	17.7
571.36249	1.2
617.36749	1.2
717.41730	1.3
733.41174	6.6
861.45251	1.4
879.47363	36.1
880.48199	2.2
895.45441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31303	0.3
67.05510	1.4
69.03429	3.1
69.07072	0.4
71.01366	0.3
71.08634	0.7
72.67577	0.3
73.02916	3.6
77.67576	0.3
79.05508	1.2
81.03426	1.2
81.07057	2.2
83.04951	0.3
83.08624	0.4
85.02909	4.4
85.10178	0.6
87.04491	0.4
90.72873	0.3
91.03953	3.2
91.05489	0.7
91.08179	0.3
93.07053	1.5
95.08607	2.0
97.02899	5.0
99.04449	0.7
101.02377	1.7
103.03945	0.3
107.08628	0.7
109.02910	0.7
109.10188	1.1
121.10186	0.7
122.67564	0.3
123.11726	0.5
127.03941	1.7
133.10168	0.3
135.11708	0.4
137.57132	0.3
161.13315	0.3
181.13692	0.3
185.04327	0.9
203.05305	0.7
243.08463	2.0
245.65839	0.3
305.08530	0.3
313.27866	0.4
335.26028	0.6
347.09430	1.3
365.10742	0.9
405.13705	4.7
497.30930	3.1
519.29285	4.4
659.36212	2.8
681.34497	6.2
711.56158	0.3
775.53143	0.7
937.58582	100.0
938.58673	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	938.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	7.1
67.05505	100.0
68.05804	3.1
69.03416	5.3
69.07070	19.3
71.04962	6.0
71.61808	4.7
72.20161	2.5
73.02925	4.1
79.05495	52.4
81.03417	11.1
81.07057	65.6
83.04976	7.5
83.08621	16.8
85.02898	29.6
85.06537	3.2
87.04439	8.0
89.39870	2.7
91.03946	8.7
91.05473	28.5
93.07045	45.1
95.04976	7.2
95.08602	52.3
97.02895	12.7
97.06534	6.0
97.10163	26.3
103.31599	2.5
105.07029	20.5
107.08595	32.5
109.06500	5.5
109.10153	58.8
111.04406	4.9
117.07014	13.0
119.08585	19.3
121.10131	22.5
123.08083	3.7
123.11708	6.2
125.09621	21.9
127.03886	4.9
129.07024	3.9
131.08565	17.3
133.10112	14.0
135.11671	10.8
139.11166	5.2
143.08618	4.7
143.10715	3.6
145.04930	5.7
145.10126	15.0
147.11665	9.9
149.09633	4.9
149.13274	5.6
153.32578	3.3
155.08578	2.6
157.10147	4.5
159.11699	10.3
161.13232	5.3
163.06026	3.3
163.11154	10.4
163.14912	4.8
171.11557	3.0
173.11714	10.2
173.13148	5.9
181.12192	3.4
185.13264	3.4
187.14734	2.6
191.10603	2.6
193.12305	3.5
194.80630	2.4
199.13306	12.5
209.11774	3.7
227.12828	12.5
229.14354	52.6
234.85487	2.7
243.21077	3.7
261.22131	14.6
267.15912	9.3
289.21719	3.8
301.16464	19.7
315.23099	2.9
317.24646	3.9
335.25812	75.6
477.35730	11.2
489.35507	17.0
543.36560	8.3
561.37915	15.5
579.38757	5.9
646.56604	3.2
852.40057	4.5
938.57391	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	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	6.9
67.05507	69.3
69.03432	8.6
69.07064	28.4
71.01375	3.8
71.04980	10.7
73.02912	5.5
79.05492	78.9
81.03421	71.9
81.07058	94.9
83.04987	32.2
83.08612	30.3
85.02896	55.2
85.06522	3.6
91.03950	11.2
91.05478	100.0
93.07042	70.9
94.93855	3.6
95.04970	41.7
95.08611	38.0
97.02893	19.5
97.06518	16.4
97.10153	10.2
98.21486	11.3
99.04427	5.7
99.08052	6.8
105.07031	88.7
106.32157	3.1
107.04948	13.6
107.08588	38.5
109.06512	8.6
109.10154	18.1
110.74093	3.1
111.04452	5.1
111.08052	18.7
115.05492	4.5
117.07009	24.4
119.08581	68.6
121.06487	8.0
121.10119	28.2
123.08065	8.7
123.11751	5.6
125.09698	5.1
127.03957	6.1
128.06311	3.8
128.11826	3.7
129.05484	8.3
129.06972	24.1
131.08563	39.6
133.06502	5.5
133.10118	49.2
135.08086	3.9
135.11702	14.2
142.07771	7.8
143.08527	11.4
145.10135	24.0
147.08031	5.7
147.11690	43.7
149.09642	11.5
149.13266	16.5
151.11122	4.3
155.08443	4.1
157.10098	19.4
159.11684	18.8
161.13272	19.1
163.11165	9.2
165.12732	5.3
169.09979	5.0
171.11705	7.0
173.13235	8.7
175.11168	13.9
175.14766	5.0
177.12743	4.3
183.11703	5.4
185.13235	10.7
187.11293	4.1
193.12221	54.6
193.13821	4.7
197.13234	4.5
199.14737	7.0
211.13268	68.4
227.12756	6.4
241.19510	16.7
257.18985	9.9
259.20523	36.4
267.15924	34.9
269.17401	16.8
275.20062	13.7
283.15524	8.7
285.16962	65.3
293.21051	3.9
301.16470	7.3
333.24323	27.4
349.23718	10.3
461.28830	10.1
469.32761	4.6
479.30066	30.4
525.35962	20.4
541.35260	6.1
543.36957	42.9
559.36328	8.9
561.37903	4.4
716.68378	3.8
872.70770	4.4
929.43774	3.7
936.47803	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	935.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.3
70.18978	0.4
70.19389	0.9
71.40142	0.2
79.16437	0.3
85.02917	0.4
95.08598	0.5
200.34377	0.3
203.05232	1.9
203.77371	0.3
242.24426	0.3
296.33417	0.3
317.08340	1.4
335.09418	1.8
463.14197	4.5
481.15262	2.3
495.34885	0.4
521.25116	0.3
563.17859	0.3
745.44135	0.5
789.43683	1.8
891.51404	0.4
935.49695	100.0
936.49976	7.0
957.42975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	1.3
71.61982	0.7
81.07055	0.6
85.02911	2.6
86.75234	0.5
87.04442	0.5
95.08611	0.6
105.07051	0.5
119.08597	0.7
127.03904	0.5
129.05531	0.5
147.06534	0.6
156.39137	0.4
167.07095	0.9
169.08765	0.5
185.04224	4.5
301.08911	0.6
319.10181	1.8
360.00308	0.5
373.98828	0.5
432.16229	0.5
495.34741	0.6
549.82880	0.5
627.38043	0.5
657.39648	0.5
684.26343	0.6
773.44531	9.0
935.49707	100.0
936.49524	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	933.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	14.9
69.03426	8.8
69.07078	6.5
69.07380	1.2
69.35834	0.9
69.55045	5.6
71.01349	1.0
71.04985	1.4
71.08621	1.4
73.02911	9.1
73.75086	0.8
79.05484	10.2
81.03432	4.1
81.07054	16.0
83.04996	1.2
83.08612	6.3
85.02901	21.3
91.03952	11.3
91.05470	9.1
92.48563	0.8
93.07045	12.2
94.07371	0.9
95.04958	2.1
95.08611	14.4
97.02895	16.8
97.06532	1.6
97.10156	2.7
99.04457	1.5
101.02384	2.1
105.07024	10.6
107.08588	7.5
109.02852	2.0
109.10169	6.9
115.03931	1.3
117.07025	4.6
119.08568	7.5
121.10128	4.3
123.11720	1.9
125.09641	1.1
127.03944	4.3
128.06189	1.9
128.53568	0.9
129.07005	5.4
131.08563	7.7
133.10147	5.1
135.11644	3.3
141.06973	3.2
141.22726	0.9
142.07785	1.9
143.08551	7.4
144.09370	1.3
145.04979	2.6
145.10114	7.3
147.11668	4.3
149.13281	1.6
155.08522	5.3
156.09232	1.1
157.10110	7.4
159.11696	5.7
161.13315	2.2
161.22000	0.8
163.05914	1.4
165.07059	0.9
167.08565	3.6
168.09393	1.1
169.10141	8.8
171.11685	6.0
173.13258	3.0
179.08430	1.5
181.10091	5.1
183.11671	7.7
184.12668	0.9
185.13301	4.9
187.14822	2.7
193.10129	2.3
195.11679	5.1
196.12340	1.0
197.13252	6.8
199.14812	3.3
201.16423	1.1
207.11668	2.7
209.13229	3.2
211.14833	3.8
213.16385	1.1
219.11794	1.4
223.14806	3.5
225.16412	2.3
227.18021	1.3
235.14795	2.3
237.16306	1.9
239.17896	1.8
249.16292	1.0
251.18074	1.4
261.22171	2.9
267.21259	0.9
281.22443	0.9
311.10043	0.8
313.27328	5.2
314.27719	3.5
335.25983	4.0
336.26004	2.1
365.28311	1.5
517.40247	3.6
535.41510	2.2
539.37372	1.0
574.49249	2.5
591.44073	3.8
607.42975	2.7
609.45123	100.0
610.45068	3.6
621.45123	2.2
633.44714	1.3
651.45990	1.7
675.45557	0.9
699.46729	1.3
717.46930	1.1
735.48096	2.2
753.48737	3.9
771.50336	26.3
772.50201	1.4
933.55267	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	931.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.4
71.04993	1.3
71.36620	0.5
81.03426	0.4
81.07054	0.8
83.05038	0.3
85.02898	2.4
95.08613	0.7
97.02897	0.7
98.97591	0.4
105.07027	0.4
107.08630	0.5
107.95827	0.4
115.67021	0.3
119.08587	0.6
121.10187	0.4
129.05505	0.5
159.11679	0.4
171.11600	0.4
177.00882	0.3
203.05252	2.1
219.01819	0.6
317.08548	1.2
335.09692	0.8
435.32681	0.4
463.14206	4.4
481.15585	0.9
531.38721	0.3
683.92371	0.4
785.40552	1.7
863.98169	0.5
869.06177	0.4
931.46600	100.0
932.46741	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	932.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.7
67.05503	37.6
69.03418	2.9
69.07064	10.8
71.04966	1.9
71.08630	19.9
73.02916	4.5
77.03890	0.7
77.91044	0.6
79.05486	22.4
81.03413	1.4
81.07056	41.1
83.04986	1.6
83.08624	10.8
85.02902	15.2
85.06545	1.2
85.10181	10.9
89.06031	1.5
91.03960	10.2
91.05479	9.8
93.07040	26.5
95.04940	1.5
95.08604	35.3
97.02889	7.9
97.06535	1.6
97.10174	5.6
99.04446	1.2
99.08105	0.7
101.77171	0.7
103.07589	1.2
105.07030	8.3
107.08588	17.2
109.02813	0.7
109.06461	1.0
109.10157	18.5
111.08070	0.7
111.11698	1.3
117.06997	3.9
119.08565	6.6
121.10145	13.1
123.11722	6.2
125.09624	0.8
127.03909	4.3
131.08580	6.4
133.10117	6.7
135.11705	10.3
137.13225	3.1
145.04964	5.3
145.10085	5.2
147.11682	5.0
149.13251	6.1
151.14786	1.5
159.11676	5.0
161.13272	4.3
163.06013	7.5
163.14798	3.4
173.13254	4.7
175.14906	1.3
177.16374	2.0
186.13722	0.7
187.14819	2.9
233.22729	1.1
239.23608	3.3
243.21095	9.0
257.24847	2.1
261.22150	36.9
262.22153	1.0
279.23404	1.0
304.26248	0.8
313.27359	100.0
314.27530	1.2
317.24716	6.7
333.24332	1.0
335.25790	76.0
336.26132	0.8
353.27002	1.1
381.55396	0.6
499.44473	0.8
540.45642	0.7
573.48767	44.0
574.48828	1.8
591.49829	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	930.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.8
67.36064	0.8
69.03429	13.3
69.07066	8.0
70.50420	2.0
71.01358	1.3
71.04996	41.6
73.02909	7.4
75.04473	2.7
76.29723	0.8
79.05482	6.6
81.03401	1.7
81.07056	21.1
83.04987	12.3
83.08644	4.8
84.68372	0.8
85.02905	80.4
87.04464	1.6
91.05467	4.3
93.07053	9.4
95.04950	2.6
95.08612	36.0
97.02898	18.7
97.06551	1.1
97.10169	1.8
98.53603	1.0
99.04464	4.9
99.08078	3.0
101.02363	0.8
105.07040	13.6
107.08592	20.9
109.02890	1.3
109.06491	5.0
109.10161	15.9
111.04449	8.2
111.11705	1.1
113.05988	0.9
115.03946	11.1
117.05494	2.2
117.06985	2.1
119.07775	1.5
119.08590	23.3
121.10145	20.5
123.08074	1.6
123.11722	10.2
127.03903	3.5
128.06256	1.2
129.05475	23.2
129.06967	1.7
131.08594	10.2
133.04974	1.5
133.10139	14.1
135.11705	14.8
137.13281	10.0
139.03883	3.0
143.08580	5.5
145.04944	3.8
145.10146	13.6
147.06517	10.7
147.11682	14.9
149.13245	14.5
151.07588	1.4
155.08540	1.5
157.04922	0.9
157.10117	6.8
159.11699	11.9
161.13240	7.0
163.07512	1.0
163.14857	4.9
164.09149	1.3
165.09052	1.0
167.06946	1.2
169.04950	1.5
169.10147	0.9
171.06538	2.0
171.11633	5.0
173.13268	10.0
175.14813	7.1
177.09152	1.8
177.16379	7.2
179.14270	1.6
183.11653	2.2
185.13251	16.5
187.14827	8.5
189.16376	7.6
191.17955	37.3
192.18225	1.0
197.13231	1.1
199.14818	9.2
201.16388	28.1
203.12437	1.0
203.14323	19.5
203.17967	10.6
205.19542	5.1
207.17397	1.4
211.14796	2.3
213.16399	14.0
215.17995	4.9
217.12265	1.5
217.19513	4.0
219.13794	2.2
219.17509	2.1
221.15419	1.1
225.07545	6.4
225.16371	2.1
227.17973	2.4
229.19493	1.9
231.17436	2.3
231.21069	1.5
239.17961	2.9
241.19508	4.7
243.08739	5.6
243.21019	1.5
245.15393	5.4
247.16986	8.2
249.14854	18.5
253.19554	2.6
255.08629	1.0
259.16953	9.8
259.19632	1.3
261.09744	2.8
265.72922	0.9
267.21130	1.5
269.22528	1.3
271.16785	1.1
273.09821	0.9
273.18506	1.9
279.10794	8.0
283.24133	0.9
285.18542	2.4
287.20203	6.0
295.24261	1.0
299.20035	2.6
304.33441	0.9
309.11719	1.6
313.21854	1.8
321.25790	1.2
373.20706	1.0
391.33643	11.0
409.34717	17.3
410.34814	0.9
411.36069	1.1
427.35788	2.2
437.34174	100.0
438.34378	3.2
455.35205	35.1
473.36453	1.4
607.52997	1.0
617.39990	1.7
626.97357	0.9
657.82904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	5.6
69.03427	11.8
69.07066	7.0
70.37430	0.8
71.01357	1.4
71.04993	39.8
71.20528	1.5
73.02916	6.0
75.04454	2.6
79.05489	4.1
81.03403	1.4
81.07055	18.7
83.04984	10.7
83.08624	4.8
85.02903	67.3
87.04481	1.9
90.30421	0.9
91.05466	5.1
93.07040	11.9
95.04955	1.5
95.08604	33.5
97.02888	16.2
97.10155	2.0
99.04442	3.8
99.08081	2.8
103.03902	1.0
105.07027	11.2
107.07861	1.0
107.08591	19.7
109.02866	1.3
109.10155	17.6
111.03782	0.9
111.04449	8.7
111.11702	1.0
115.03922	10.5
117.05471	1.3
117.07004	1.8
119.07779	1.4
119.08574	21.2
121.10135	18.0
122.34596	0.8
123.04411	1.2
123.11709	10.8
127.03911	4.0
129.05476	20.9
129.06920	1.2
131.08562	7.9
133.04933	2.3
133.10127	11.8
135.11687	13.1
137.13249	10.0
139.03891	2.9
143.08600	4.0
145.04933	3.1
145.10114	13.5
147.06519	9.1
147.11690	11.7
149.05972	0.9
149.12320	0.9
149.13280	9.8
151.07556	0.9
151.14864	1.0
153.05429	0.9
157.10118	4.9
159.11691	11.0
161.13239	7.1
163.06078	1.4
163.07527	1.8
163.14833	4.5
164.09164	1.3
169.10065	1.5
171.06479	1.6
171.11653	4.2
173.13266	8.3
175.14833	6.5
177.08998	1.1
177.16379	6.0
179.14316	1.5
179.17912	1.7
183.11545	1.4
185.13239	6.1
187.14830	8.8
189.16389	8.6
191.14337	1.1
191.17944	34.1
192.18248	1.2
197.13179	1.5
199.05901	1.0
199.14845	6.9
201.16383	21.3
203.14282	3.8
203.17972	10.2
205.19513	4.7
207.17500	0.8
211.14772	1.6
213.16393	12.8
215.17911	3.8
217.15762	1.2
217.19540	4.2
219.13754	2.2
219.17441	2.6
225.07530	6.3
225.16441	1.3
227.17946	3.0
229.15967	1.4
229.19516	1.9
231.17482	2.0
231.21104	1.7
233.15387	2.2
239.17981	3.0
241.19514	3.9
243.08643	6.1
243.21033	1.0
245.15355	4.5
247.16902	6.4
249.14882	3.9
253.19450	3.0
255.21133	1.7
257.15176	1.1
259.08130	1.1
259.16986	7.5
259.19666	0.9
259.20734	1.0
261.09595	1.5
269.22751	1.1
271.16895	1.2
273.09692	1.4
273.18460	2.2
279.10669	6.5
285.18454	2.2
287.20081	5.7
299.19980	2.5
309.11926	1.2
313.21585	1.4
384.73822	0.9
391.33545	11.5
409.34592	11.2
410.35013	1.3
427.35471	2.9
437.34161	100.0
438.34439	4.6
455.35248	31.5
456.35376	1.2
473.36121	1.0
869.80902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	7.1
69.03427	18.3
69.07070	5.0
70.65870	3.7
71.04996	37.5
73.02918	11.2
75.04479	7.3
79.05499	5.8
81.03416	3.6
81.07057	15.0
82.71140	1.3
83.04990	17.0
83.08617	5.0
84.55011	1.2
85.02903	100.0
86.03281	1.1
87.04463	2.3
91.05465	6.4
93.07039	11.2
95.04968	2.7
95.08607	22.7
97.02892	27.2
97.06550	1.6
97.10175	1.3
98.97585	1.5
103.03910	2.6
105.07027	15.6
107.08591	17.9
109.02918	2.8
109.10163	15.0
111.04445	13.9
111.08082	4.7
113.02312	1.4
115.03928	21.5
117.07011	1.7
117.65972	1.2
119.08576	22.2
121.10141	13.0
123.11701	6.4
127.03948	6.8
129.05487	34.7
129.06978	2.9
131.08563	9.3
133.04977	3.5
133.10139	15.6
135.11670	7.9
137.05943	1.5
139.03874	2.9
143.08577	3.8
145.04968	5.0
145.10103	12.0
147.06526	21.1
147.11671	14.6
149.13254	16.0
157.04967	1.8
157.10132	4.5
159.11676	8.9
161.13254	11.2
163.14828	7.4
165.07555	1.8
169.10196	2.6
171.06537	1.4
171.11670	4.8
173.13275	11.7
175.14781	11.6
177.09160	1.4
177.16408	10.6
179.14307	1.9
183.11665	2.6
185.13281	8.7
187.14809	12.1
189.16394	15.9
191.14250	1.9
191.17972	3.4
195.11720	1.4
197.13266	2.4
199.14867	6.9
201.16382	15.3
203.14322	4.1
203.17961	14.7
205.15935	10.3
205.19579	2.3
207.17456	7.9
209.13309	1.6
213.16422	9.5
215.17993	8.0
217.15891	2.3
217.19463	2.4
219.17494	2.5
221.18930	1.3
225.07556	7.4
225.16470	1.8
227.17961	3.3
229.19299	1.6
231.17374	2.5
233.15234	1.6
233.19019	2.0
239.17947	1.5
241.19545	3.9
243.08723	7.0
245.15410	4.0
247.16911	6.0
249.14832	4.6
249.18553	1.7
253.19603	1.3
255.08588	1.9
259.08356	1.5
259.17136	2.9
261.09689	2.5
265.19592	2.0
267.21054	2.6
279.10736	16.7
279.21146	1.8
281.22525	1.6
285.18475	2.0
287.20145	2.7
293.22421	1.8
305.22400	1.8
309.11826	5.4
325.21545	1.5
343.22653	1.3
349.29019	2.0
389.32062	5.5
391.33466	2.5
395.29413	5.0
407.33087	14.1
409.34525	1.8
413.30478	3.5
423.32455	5.0
425.34210	3.5
426.34415	1.8
435.32632	37.4
441.33475	1.7
453.33646	54.4
454.34039	2.1
471.34753	8.9
584.24689	1.2
585.37469	1.5
612.49384	1.2
910.41309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.7
69.03430	15.0
69.07063	2.4
69.77692	3.9
71.01347	2.4
71.04996	54.2
73.02915	9.2
75.04489	5.6
79.05493	2.5
79.17106	0.8
81.03434	2.0
81.07053	6.0
83.04987	28.0
83.08650	1.1
85.02908	100.0
85.06527	1.0
87.04483	2.6
91.05470	1.7
93.07045	1.8
95.04971	2.5
95.08601	7.3
97.02901	23.2
99.04453	2.6
99.08085	2.0
101.06007	0.9
105.07036	4.6
107.08577	6.2
109.10160	6.5
111.04440	16.2
113.02369	1.3
115.03951	15.6
119.07825	1.2
119.08554	6.6
121.10146	4.1
123.11727	2.9
127.03934	5.9
129.05482	51.6
131.08566	1.7
133.04955	3.2
133.10132	5.5
135.11699	4.2
137.13303	1.9
139.03888	4.7
143.08565	1.3
145.04987	3.8
145.10138	4.4
146.07141	0.9
147.06523	23.4
147.11687	4.1
149.13249	2.2
157.04980	0.9
157.10153	0.9
159.11679	6.8
161.13310	4.2
161.96832	0.8
163.06012	2.0
163.07635	0.8
163.14783	1.1
165.07593	1.5
169.04950	2.3
171.06490	1.8
171.11671	1.6
173.13310	2.4
175.14815	2.4
177.12741	1.5
177.16353	1.7
185.13269	5.2
187.06247	0.9
187.14854	5.8
189.16373	9.1
191.17892	4.0
195.06544	1.2
199.14764	4.0
201.12808	1.4
201.16406	3.0
203.14325	1.9
203.18001	3.3
207.17441	2.1
211.14752	0.9
213.07538	1.1
213.16312	1.2
217.15904	1.6
225.07574	8.5
237.14906	0.9
243.08727	7.0
245.15479	2.1
247.13290	3.6
259.07980	1.1
261.09778	2.1
261.14951	0.9
263.16428	1.8
273.09665	3.8
279.10751	12.1
309.11829	4.3
389.32172	1.0
407.33109	1.3
409.34641	1.4
425.34158	1.1
435.32663	12.7
453.33679	35.5
454.34116	2.3
471.34665	7.8
835.60699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.3
69.03432	10.6
69.07058	2.2
70.22580	1.3
71.01357	2.2
71.04993	50.5
73.02913	7.6
75.04491	5.7
79.05485	2.4
81.03410	3.0
81.07060	5.7
83.04980	26.4
83.05746	0.7
83.08632	1.4
85.02904	100.0
87.04469	3.3
91.05499	1.4
93.07050	3.5
95.04972	1.6
95.08602	10.7
97.02888	25.1
97.06534	0.8
99.04446	2.3
99.08085	3.0
101.06020	1.1
103.03940	2.0
105.07035	3.4
107.08591	6.8
109.02845	1.9
109.10149	4.2
111.04442	15.1
113.02355	1.1
113.06010	1.4
115.03927	17.3
117.07029	0.8
119.08575	7.8
121.10161	4.2
123.04413	0.8
123.11721	3.0
127.03903	6.3
129.05479	46.5
131.08606	2.4
133.04959	2.5
133.10159	5.1
135.11702	4.7
137.13240	1.8
139.03908	3.4
143.08566	2.3
145.04991	4.3
145.10109	6.9
147.06514	19.6
147.11684	4.0
149.05962	0.8
149.13321	2.4
151.14865	0.9
153.05505	1.3
155.08546	1.0
157.05003	1.6
157.10149	3.5
159.11662	6.4
161.13293	3.0
163.06065	1.8
163.14821	1.6
165.07616	1.3
169.05011	2.1
169.10158	2.7
171.06535	1.6
171.11722	3.1
173.13280	3.1
175.14864	2.7
176.97488	0.8
177.16469	2.4
179.14317	0.9
181.12218	1.6
183.11720	3.3
185.13248	2.3
187.14874	2.7
189.12666	1.2
189.16373	4.5
195.11584	0.8
197.13280	2.6
199.05954	1.0
199.14874	3.3
201.16338	4.1
203.17969	2.4
207.17432	1.6
209.11685	0.8
211.14890	2.4
213.16417	3.1
215.18004	1.6
223.14902	0.8
225.07597	8.2
225.16411	1.7
227.14487	0.9
227.17873	0.8
229.15930	1.7
237.07500	0.8
237.16599	1.0
239.17955	1.9
243.08632	8.1
245.15430	1.4
251.18140	1.1
253.19637	0.9
255.08719	2.0
255.17564	0.9
255.21152	1.8
257.15448	1.9
259.08194	1.2
261.09738	3.1
265.19363	0.8
269.19116	1.0
273.09744	2.1
275.16431	1.4
277.09534	0.8
279.10791	12.3
283.17017	1.1
295.10355	0.8
297.18692	1.3
299.16458	2.4
309.11905	2.9
315.19901	1.2
341.35974	0.8
381.31958	1.1
389.32077	2.9
405.31439	4.6
409.27197	0.9
423.32455	4.7
433.31012	12.2
433.36456	1.2
451.32095	57.4
452.32593	2.3
469.33194	25.4
470.33807	1.2
629.24518	0.9
765.94049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.8
69.03430	3.0
69.07082	1.0
69.31120	2.9
69.31544	4.8
71.05013	1.4
73.02917	3.6
76.95557	0.7
79.05492	2.3
81.03413	2.6
81.07054	2.0
85.02906	6.1
85.54689	0.8
86.67740	0.8
91.03975	3.4
91.05479	2.6
93.07040	2.9
95.04964	1.3
95.08595	1.5
97.02892	5.6
98.21488	2.2
99.04428	1.1
101.02360	1.3
105.07044	3.6
107.08620	1.6
119.08576	2.1
121.10159	1.4
127.03911	1.0
133.10100	1.2
143.74579	0.8
145.05046	0.9
145.10103	1.2
147.11710	1.3
153.02031	1.0
169.27844	0.9
193.12227	1.3
203.17906	0.9
243.08470	2.1
284.47702	0.9
301.09024	1.3
347.09677	3.3
363.08917	1.3
405.13583	5.0
468.59854	0.9
469.20535	7.2
477.15363	1.1
535.29004	1.5
631.25513	7.0
697.34143	2.4
763.41547	1.6
925.47632	100.0
926.47040	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	925.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.8
69.03430	3.0
69.07082	1.0
69.31120	2.9
69.31544	4.8
71.05013	1.4
73.02917	3.6
76.95557	0.7
79.05492	2.3
81.03413	2.6
81.07054	2.0
85.02906	6.1
85.54689	0.8
86.67740	0.8
91.03975	3.4
91.05479	2.6
93.07040	2.9
95.04964	1.3
95.08595	1.5
97.02892	5.6
98.21488	2.2
99.04428	1.1
101.02360	1.3
105.07044	3.6
107.08620	1.6
119.08576	2.1
121.10159	1.4
127.03911	1.0
133.10100	1.2
143.74579	0.8
145.05046	0.9
145.10103	1.2
147.11710	1.3
153.02031	1.0
169.27844	0.9
193.12227	1.3
203.17906	0.9
243.08470	2.1
284.47702	0.9
301.09024	1.3
347.09677	3.3
363.08917	1.3
405.13583	5.0
468.59854	0.9
469.20535	7.2
477.15363	1.1
535.29004	1.5
631.25513	7.0
697.34143	2.4
763.41547	1.6
925.47632	100.0
926.47040	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	920.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.2
67.05508	50.2
67.05868	2.5
69.03429	5.6
69.07072	15.5
70.28499	1.3
70.97701	1.1
71.04990	4.2
71.61324	1.9
73.02916	8.9
73.13981	1.3
77.03946	1.3
78.64595	1.1
79.05047	2.2
79.05498	36.1
80.06316	1.2
81.03415	12.1
81.07059	45.7
82.04202	3.5
83.04988	8.7
83.08624	12.0
85.02904	16.9
85.06544	4.9
91.03964	8.2
91.04944	2.4
91.05483	26.1
93.07044	41.0
95.04968	12.8
95.08611	31.7
97.02898	10.5
97.06532	5.1
97.10178	10.7
98.07330	3.6
99.04436	1.6
99.08128	1.3
103.05446	1.3
105.04508	1.9
105.07029	18.5
107.04959	3.9
107.08598	25.6
109.02837	1.5
109.06529	4.5
109.10167	16.3
111.08074	5.1
115.05462	1.2
116.04716	13.8
117.07026	8.2
119.08575	14.8
121.06512	1.9
121.10146	15.5
123.08076	3.3
123.11714	4.8
125.09659	11.0
127.03942	2.5
129.05490	28.7
129.07005	4.8
131.08566	12.5
133.10118	14.1
135.08057	3.4
135.11703	13.1
136.08820	1.6
137.09631	2.8
137.13263	2.1
142.07799	1.2
142.68739	1.2
143.07059	8.0
143.08614	1.8
145.04980	2.6
145.10094	9.7
147.11696	10.8
149.05875	1.3
149.09697	2.1
149.13242	6.7
157.08617	16.5
157.10149	6.3
159.11707	5.4
161.13292	4.0
163.06075	3.1
163.11241	3.7
163.14825	2.9
165.12825	1.7
171.10197	6.0
171.11739	3.7
173.11777	1.5
173.13263	3.6
175.11259	3.3
175.14807	2.8
181.12227	2.2
183.11566	1.2
185.11757	1.4
185.13278	2.5
187.14882	2.8
189.11229	6.8
193.12248	9.1
199.13319	3.4
199.14914	2.0
200.14105	2.7
209.11711	2.2
211.13327	5.5
217.14400	1.3
227.12802	11.1
229.14417	2.4
243.21127	2.9
259.20529	2.2
259.31360	1.2
260.37677	1.4
261.22089	9.1
267.15939	5.7
277.21646	4.1
283.15472	3.2
285.17032	2.4
301.16461	100.0
302.16733	2.0
315.23169	1.5
317.24664	1.9
335.25824	64.1
336.26016	2.3
440.42114	1.5
469.32944	1.3
525.36523	1.4
527.37518	6.5
543.36560	4.0
545.38165	2.9
561.37872	52.8
562.38080	2.6
718.07141	1.4
726.57190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.4
66.04713	1.0
67.05505	57.8
67.68881	0.9
69.03426	5.2
69.06719	0.9
69.07070	15.7
70.77200	2.2
71.04995	5.1
73.02917	6.8
77.03919	0.9
79.05493	45.7
80.06260	1.9
81.03420	14.0
81.07057	55.8
82.04177	2.4
83.04986	9.0
83.08613	13.5
85.02904	17.8
85.06538	3.5
85.14979	0.7
87.04476	0.9
90.20210	0.9
91.03961	11.2
91.05479	31.8
93.07047	49.6
94.07827	1.4
95.04967	13.9
95.08607	40.8
96.04484	1.1
97.02898	10.1
97.06535	6.9
97.10172	11.8
98.07313	3.9
99.04426	1.8
99.08060	2.4
101.06043	0.9
103.03965	0.8
105.04511	1.7
105.07033	23.2
107.04922	4.0
107.08593	27.8
109.06538	4.4
109.10155	20.6
111.04411	2.3
111.08109	5.8
113.05974	0.9
113.09615	1.1
116.04697	9.5
117.05429	0.8
117.07023	10.4
119.08582	17.6
121.06508	2.2
121.10151	20.5
123.08078	5.6
123.11715	5.9
125.05944	0.9
125.09639	13.2
127.03932	4.1
127.07552	1.1
129.05484	26.7
129.06937	5.6
131.08572	15.5
133.06506	0.9
133.10143	16.2
135.08040	2.2
135.11693	16.9
137.09622	2.3
137.13255	2.2
139.11160	1.0
142.07813	0.8
143.07056	5.5
143.08546	2.7
143.10666	1.3
145.04977	4.4
145.10115	12.9
147.08037	1.7
147.11700	12.3
149.09615	4.1
149.13237	7.9
151.11185	2.1
153.09071	1.5
153.12688	1.2
157.08604	9.0
157.10110	5.6
159.11691	5.6
161.09593	1.4
161.13228	5.6
163.06000	2.8
163.11195	3.4
163.14827	4.0
165.12706	1.8
169.10068	1.2
171.06520	1.4
171.10156	3.6
171.11690	2.5
173.11850	1.5
173.13239	6.0
175.11186	3.8
175.14841	3.4
181.12221	1.0
185.13254	2.3
187.14796	2.9
189.11247	4.7
189.16351	1.3
191.10696	1.4
191.14374	1.0
193.12253	9.6
199.13312	4.0
200.14044	2.1
201.16371	1.9
209.11716	2.8
210.12471	1.3
211.13242	6.6
215.17888	1.1
227.12773	9.0
229.14310	2.8
243.21100	4.8
247.16714	1.0
255.15857	1.9
259.20584	2.2
261.22159	12.3
267.15826	6.4
269.17358	1.4
277.21725	4.9
283.15399	6.3
285.16858	2.5
297.22272	1.1
301.16461	67.7
302.16611	1.4
304.95248	0.9
315.23148	1.9
317.24811	2.2
333.24033	1.5
335.25812	80.7
336.26031	2.4
351.25482	1.3
419.73441	0.9
436.55518	1.0
451.32291	1.6
489.35709	1.5
493.31995	1.0
496.91550	0.8
525.35614	1.3
527.37231	8.3
543.30389	0.7
543.36810	7.7
544.37305	1.1
545.38062	3.7
561.37854	100.0
562.37976	3.9
579.38885	1.8
947.67938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.6
68.96299	0.3
69.03428	0.4
69.07071	0.5
71.61419	0.7
79.05494	0.8
81.03430	0.4
81.07053	0.9
83.05025	0.4
85.02915	1.1
91.05470	0.7
93.07060	1.1
95.08604	0.9
97.02937	0.5
103.83686	0.4
105.07059	0.4
107.08600	0.8
109.10184	0.5
119.08590	0.9
121.10182	0.4
130.73302	0.4
135.11749	0.6
203.05270	2.4
203.06921	0.4
245.05229	0.4
258.50003	0.4
285.17032	0.4
317.08551	1.6
335.09286	2.0
442.74915	0.4
462.22684	0.4
463.14221	5.8
470.72058	0.7
481.15286	2.2
542.36316	0.4
746.96381	0.5
773.44446	2.5
874.27948	0.5
919.50256	100.0
920.50549	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	919.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.4
69.03431	3.1
69.07091	0.4
69.90499	1.4
71.01337	0.5
71.04998	1.0
71.08623	1.2
73.02921	3.3
79.05500	1.2
79.80495	0.3
81.03416	2.8
81.07053	1.9
83.04958	0.3
83.08624	1.1
85.02907	5.3
85.10203	0.6
87.60057	0.3
91.03951	3.5
91.05478	1.4
93.07056	1.2
95.04953	0.8
95.08595	1.5
97.02888	5.1
97.06562	0.4
99.04461	1.1
101.02371	1.5
103.03954	0.4
105.07047	1.1
107.04933	0.3
107.08620	0.8
109.02873	0.8
109.10135	0.6
111.04462	0.3
115.03947	0.4
119.08596	0.8
121.10147	0.9
123.08035	0.3
123.11749	0.5
127.03915	1.4
131.08566	0.8
133.10133	0.6
145.03845	0.3
145.04984	0.5
147.11703	0.9
149.09657	1.2
157.10173	0.4
175.11272	0.7
185.04266	0.7
185.78342	0.3
193.12323	0.8
203.05345	0.7
220.87125	0.3
225.14949	0.5
243.08401	2.2
259.08081	0.3
267.15970	0.5
283.15207	2.4
313.27414	0.8
339.17868	1.0
347.09457	2.7
363.09158	0.6
365.10654	1.3
405.13684	6.2
469.20490	0.6
497.30829	4.9
497.37457	0.3
501.15848	0.6
501.23071	8.6
502.23810	0.4
659.36200	4.8
663.28314	9.5
664.28870	0.4
757.46448	1.9
919.52356	100.0
920.52777	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	917.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.4
69.03437	3.1
69.07069	0.5
71.01393	0.5
71.04990	0.5
71.08633	1.2
73.02910	3.5
79.05491	1.3
81.03424	2.3
81.07063	1.6
81.55482	0.4
83.05003	0.4
83.08627	0.5
85.02896	4.5
85.10190	0.6
90.05663	0.4
91.03947	2.8
91.05498	1.0
93.07055	1.3
95.04953	0.5
95.08616	1.6
97.02894	5.4
97.06522	0.4
98.21549	0.7
99.04444	1.0
101.02390	1.7
105.07080	0.7
107.08569	0.7
109.02874	0.8
109.10166	0.8
111.04469	1.1
115.03970	0.7
119.08587	0.6
121.10151	0.9
122.25579	0.4
127.03957	1.3
127.11731	0.4
135.11697	0.9
145.10167	1.3
163.11227	1.7
173.09766	0.5
185.04257	1.1
191.10666	0.7
209.11824	0.8
223.13390	1.1
241.14450	0.9
243.08528	1.8
246.09155	0.4
281.13553	3.7
337.16394	1.3
339.84851	0.4
347.09665	1.8
365.10910	0.5
405.13647	5.3
426.08389	0.5
426.51999	0.4
443.32993	0.4
467.19409	0.8
497.30911	3.9
499.21558	7.7
629.23889	0.6
659.36212	4.3
661.26770	5.1
755.45160	2.2
917.50763	100.0
918.51031	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	917.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	0.3
69.07082	0.4
70.09138	1.3
71.05008	0.7
81.07062	0.9
84.91258	0.3
85.02918	1.3
91.05498	0.4
92.74259	0.3
93.07067	0.5
95.08633	1.0
96.69348	0.3
97.02908	0.4
98.21404	0.3
98.97607	0.5
105.07064	0.8
105.37973	0.3
107.08590	0.5
109.10200	0.4
119.08598	0.4
121.10153	0.4
128.98634	0.3
129.17889	0.3
133.10228	0.3
137.13371	0.3
145.10162	0.3
178.50356	0.4
201.16321	0.4
203.05324	2.2
219.01845	0.4
317.08545	1.7
335.09375	1.5
463.14258	5.7
481.15295	2.2
600.73505	0.3
689.81042	0.4
727.44202	1.3
771.42694	1.4
873.49103	1.7
912.26300	0.3
917.48700	100.0
918.48981	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	916.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.2
67.05507	48.4
67.51812	1.0
69.03412	4.0
69.07072	10.2
69.81303	4.4
71.04988	2.5
71.08635	21.9
72.24536	0.8
73.02922	3.4
76.98305	0.8
79.05494	15.3
81.03403	4.1
81.07062	24.8
83.04976	3.8
83.08623	15.4
84.78467	0.9
85.02910	20.6
85.06525	3.0
85.09705	1.1
85.10185	12.3
87.04446	4.1
89.05995	1.6
91.03944	4.6
91.05495	6.9
93.07045	8.8
94.28925	1.1
95.04962	3.7
95.08609	24.9
95.09221	1.2
95.49559	0.8
97.02898	8.1
97.06537	1.7
97.10171	19.3
98.21507	1.2
103.03930	1.3
105.07022	3.5
107.04932	2.2
107.08601	11.0
109.10159	44.4
110.40148	1.0
111.04475	1.1
111.08049	2.1
117.07003	3.2
119.08577	5.1
121.06487	1.0
121.10141	3.9
123.11662	4.2
125.09630	16.9
127.03958	1.8
131.08566	2.4
133.10139	2.0
135.11702	2.8
137.09596	2.4
137.13261	1.5
143.10669	3.4
143.67352	0.9
145.04945	3.3
145.10129	2.8
149.13361	1.3
153.12733	2.0
155.10638	2.6
159.11754	1.2
161.13301	0.9
163.06015	2.0
163.11128	3.0
169.12209	0.9
173.11761	9.8
191.10663	2.0
199.13269	9.9
209.11711	4.4
223.13292	2.1
227.12801	8.5
229.14363	60.2
234.93810	0.9
239.23662	3.5
245.13783	1.3
257.13739	1.1
257.24796	2.5
267.15784	2.5
283.15503	4.1
297.16910	5.7
301.16473	28.1
313.27380	100.0
314.27667	2.3
335.25980	6.7
341.27090	2.2
360.71677	0.8
437.36292	7.2
455.37396	17.3
463.22247	1.4
465.07028	1.2
467.37378	35.3
476.27014	1.0
489.35635	1.2
505.38681	1.1
521.38287	2.7
539.39490	15.7
557.38806	7.4
701.43787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	44.1
69.03420	2.8
69.07069	10.5
69.89576	3.1
71.01353	1.8
71.04973	2.3
71.08631	18.1
73.02893	2.3
79.05499	13.9
81.03407	4.5
81.07061	21.1
83.04972	3.3
83.08620	17.9
85.02415	1.3
85.02905	20.3
85.06503	1.7
85.10182	11.6
87.04482	5.1
89.06035	1.8
91.03967	6.6
91.05482	5.7
93.07047	5.5
95.04958	1.9
95.08609	21.5
97.02905	7.3
97.06503	1.7
97.10169	19.0
99.08118	0.8
99.11691	0.9
103.03936	1.9
103.07574	1.5
105.07030	2.0
107.04948	1.4
107.08592	8.2
109.10159	41.6
111.04455	1.3
111.08058	1.6
111.11714	1.2
117.07044	0.8
119.08584	3.7
121.10132	2.6
123.11691	2.3
125.09638	14.8
127.03889	2.6
131.08559	1.0
133.10144	1.6
135.11751	2.1
137.09648	1.6
143.10675	3.2
143.89209	0.9
145.04956	2.2
145.10173	1.2
155.10689	1.4
163.06006	1.8
163.11198	2.1
173.11714	8.9
181.12248	1.1
183.32990	0.7
193.12230	1.1
199.13293	11.2
209.11777	3.9
217.80389	0.8
227.12749	7.1
229.14362	54.5
230.14731	1.0
239.23715	4.4
257.24863	1.9
267.15930	2.6
283.15445	4.3
296.23737	0.8
301.16461	24.1
313.27374	100.0
314.27728	2.3
341.26895	1.7
437.36276	6.1
455.37418	16.6
463.21622	1.3
467.37335	31.3
468.37415	1.3
505.38885	1.6
521.38348	2.2
539.39465	15.0
557.39844	1.6
701.45361	1.1
917.48798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82521	0.4
67.05532	0.8
69.03430	2.9
69.07096	0.7
71.01356	0.7
71.05007	0.5
71.08636	1.4
73.02917	3.9
75.58308	0.4
79.05489	1.0
81.03429	2.6
81.07063	1.8
83.04993	0.7
83.08623	1.0
85.02909	6.6
91.03960	3.9
91.05474	1.1
92.79766	0.4
93.07069	0.6
95.08640	1.9
97.02885	6.0
97.10168	0.5
99.04480	0.9
101.02390	3.0
105.07047	0.5
107.08597	0.5
109.02907	1.4
109.10117	0.6
115.03957	0.4
119.08591	1.0
123.11685	0.6
126.20913	0.5
127.03948	1.9
129.06992	0.5
130.55244	0.5
133.10118	0.7
136.96352	0.5
147.11774	0.6
185.04242	0.8
193.12289	0.7
203.05374	0.7
243.08481	2.5
251.12671	0.6
307.15164	0.6
341.30655	1.2
347.09427	2.8
363.09195	0.5
365.10611	1.1
405.13705	5.9
469.20523	7.8
469.26956	0.5
525.33905	4.3
631.25684	6.8
687.39325	4.3
753.47754	1.6
915.52844	100.0
916.52985	7.2
916.69250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.4
67.05505	45.8
69.03440	2.6
69.07063	13.7
71.01374	1.4
71.04985	3.1
71.08634	22.8
73.02915	2.8
77.52790	1.0
79.05501	14.1
81.03413	4.2
81.07055	27.1
83.04978	4.7
83.08626	16.4
85.02903	18.2
85.06540	2.7
85.10190	13.2
87.04473	6.4
89.06006	2.2
90.07258	1.1
91.03964	5.9
91.05478	5.3
93.07043	4.9
95.04981	1.3
95.08611	25.0
97.02859	6.0
97.06592	1.1
97.10172	23.0
103.03900	1.8
105.07021	1.8
107.04969	2.1
107.08606	10.1
109.10164	40.3
111.04436	1.1
111.08129	2.2
117.06994	1.9
119.08573	4.0
121.06522	1.2
121.10135	2.8
123.11725	3.1
125.09631	17.7
131.08588	2.3
133.10101	1.1
135.11649	1.6
137.13235	2.0
143.10652	4.9
145.04968	1.9
145.10112	2.3
153.12721	1.8
155.10585	1.8
158.75757	1.2
163.11195	3.0
173.09695	1.3
173.11772	10.2
181.12236	1.7
191.10628	3.6
193.12308	1.6
199.13304	12.9
209.11723	3.6
217.95818	1.2
225.91368	1.2
227.12781	16.2
229.14363	43.7
239.23729	4.5
241.74879	1.3
245.14020	1.2
262.33679	1.2
265.14536	1.8
267.15857	1.4
283.15414	5.6
301.16473	38.8
313.27365	100.0
314.27612	2.6
319.17569	3.0
341.26889	2.2
437.36343	6.6
455.37323	22.9
467.37326	27.8
521.38501	2.5
539.39490	18.5
555.33936	1.2
557.40533	9.7
701.44305	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	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	10.0
69.03400	1.6
69.07074	5.0
71.01318	0.7
71.04957	1.2
71.08633	15.4
72.48809	0.5
73.02875	2.5
79.05117	0.6
79.05486	6.1
81.03419	51.4
81.07059	15.5
83.04985	2.7
83.05387	0.6
83.08624	14.4
85.02905	5.0
85.06483	1.0
85.09707	0.7
85.10184	10.0
88.53717	0.5
89.06021	0.9
91.03976	3.5
91.04952	0.8
91.05479	10.2
93.07047	5.7
95.04971	15.2
95.08604	16.1
97.02900	3.1
97.06508	0.6
97.10165	4.9
98.21502	1.1
103.07545	0.7
105.07026	6.7
107.04996	2.9
107.08551	2.3
109.06489	2.2
109.09553	0.7
109.10160	7.5
111.04404	1.3
111.08076	4.5
111.11659	0.5
115.05466	0.6
117.06986	1.6
119.07922	0.6
119.08592	7.3
121.06469	1.9
121.10149	3.7
123.04406	1.7
123.08045	1.3
123.11710	3.5
125.09624	0.8
127.03957	1.2
129.07010	5.2
131.08583	4.8
133.06477	1.6
133.10115	3.1
135.11674	0.8
137.09598	1.5
137.13271	1.8
142.07820	0.6
145.04903	1.7
145.10040	1.2
147.08005	1.8
147.11699	4.9
149.09596	2.2
154.68993	0.6
157.10162	5.7
163.06006	2.0
163.11192	0.7
165.12717	1.3
173.09479	0.7
175.11185	7.0
193.12259	22.4
205.12079	0.7
211.13280	1.4
223.13326	0.7
235.13177	2.1
239.23721	1.4
249.14830	1.5
257.24792	2.2
259.13254	1.3
267.15921	97.6
268.16223	1.8
273.14914	1.3
301.14371	1.7
308.11401	0.5
309.16937	2.5
313.27371	100.0
314.27658	2.0
319.15442	0.7
393.19244	0.6
505.38895	87.4
506.39182	2.1
523.39984	1.1
530.83820	0.6
547.39850	5.9
555.40259	1.5
596.08270	0.6
601.40857	1.7
613.40967	2.1
631.41791	1.6
649.42670	1.5
868.50232	0.7
914.51483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05774	0.4
66.02831	0.4
67.05511	1.1
69.03435	3.9
69.07079	0.5
70.86452	0.5
71.05016	0.8
71.08636	1.6
71.95747	0.5
73.02916	3.7
78.02261	0.5
79.05476	1.0
81.03423	1.4
81.07050	1.4
81.39172	0.5
81.67525	0.4
82.97654	0.4
83.08627	0.9
85.02902	5.3
85.10187	0.9
85.42558	0.5
91.03955	3.5
93.07059	0.9
95.05026	0.4
95.08607	1.1
97.02887	5.3
97.06525	0.5
99.04477	1.8
101.02389	1.4
107.08612	0.7
109.02866	1.0
109.10188	1.0
115.03934	0.4
116.87816	0.5
119.08598	0.6
127.03927	2.4
135.11670	0.4
145.10138	0.8
163.11240	1.0
185.04233	0.6
203.05350	0.8
222.56738	0.4
229.30774	0.4
243.08565	1.8
283.15329	0.5
341.30484	0.6
347.09595	2.0
363.09464	0.6
365.10367	1.0
405.13669	4.9
467.18933	7.7
467.25040	0.5
525.33960	4.8
550.03674	0.5
629.23975	5.9
644.59082	0.5
687.38873	3.4
751.45508	1.8
913.51282	100.0
914.52246	5.6
925.17578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.2
69.03424	14.4
69.07054	3.5
69.63351	5.3
71.01328	0.8
71.04990	49.4
73.02917	8.7
75.04479	6.0
79.05489	2.3
81.03410	2.3
81.07056	6.4
83.04984	18.9
83.08598	2.8
85.02901	100.0
86.35664	0.7
87.04447	2.3
91.05437	1.9
93.07020	5.5
95.04961	1.8
95.08038	1.0
95.08603	11.7
97.02885	22.6
97.05609	0.8
97.06521	0.9
98.20647	1.4
99.04431	2.4
101.05973	0.9
103.03931	1.7
105.07016	3.5
107.08596	8.7
109.02866	1.9
109.10143	7.5
111.03789	1.2
111.04446	12.9
113.02290	1.1
113.06009	1.2
115.03928	16.8
119.08564	6.3
121.10134	7.3
123.04439	0.8
123.11752	3.7
127.03911	6.7
129.05473	36.9
131.08498	1.1
133.04959	3.0
133.10101	4.6
135.11696	4.9
137.05956	1.1
137.13251	1.8
139.03885	3.6
145.04970	4.9
145.10101	2.2
146.10719	0.9
147.05388	1.5
147.06509	21.7
147.11697	4.2
149.13232	4.7
151.07539	1.2
159.11711	1.6
161.13245	2.4
163.05914	1.0
163.14809	2.7
165.07558	1.9
167.10623	0.9
169.04874	1.3
171.06535	2.9
173.13226	1.4
175.14841	2.9
177.16374	2.3
179.17920	1.0
187.14845	1.2
189.16368	6.6
191.17938	14.4
195.06520	1.5
199.05965	1.1
201.16418	6.3
203.17960	12.8
205.19463	6.6
215.17938	2.4
217.19539	2.5
225.07558	9.7
235.16876	1.3
241.06821	1.0
243.08659	8.8
243.20865	0.8
247.16846	4.1
249.18466	3.5
255.08652	2.3
259.08133	1.6
261.09665	3.0
261.18561	1.3
273.09787	2.4
279.10751	13.5
309.11847	4.4
393.35120	4.8
411.36276	4.1
439.35693	32.2
440.36069	1.1
585.40686	0.9
807.97815	0.9
833.08966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	19.1
69.03421	2.2
69.07065	10.7
71.01341	2.5
71.04987	4.8
71.08627	22.1
71.61574	1.4
73.02904	2.8
79.05494	20.7
81.02975	1.4
81.03419	22.6
81.07052	25.5
83.01338	2.8
83.04984	9.8
83.08612	12.6
85.02898	13.6
85.06530	3.5
85.10178	11.0
89.06021	1.0
90.11062	1.1
91.03954	5.3
91.05463	11.9
93.07044	18.3
95.04981	6.2
95.08038	1.8
95.08607	26.0
97.02898	11.3
97.05245	0.9
97.06523	7.1
97.10172	5.4
99.04437	2.8
103.05417	1.1
103.07581	1.7
105.07027	6.5
107.04961	16.7
107.08584	9.1
109.06519	6.9
109.10159	9.2
111.04432	19.6
111.08086	2.1
111.11745	1.0
113.05930	1.5
117.07028	7.7
119.08582	9.5
121.06472	4.1
121.10143	10.2
123.08054	7.0
123.11723	2.7
125.05984	6.1
125.09604	1.7
127.03915	2.4
129.06979	3.7
130.07748	1.6
131.08539	8.0
133.10114	2.2
135.08003	2.6
135.11688	12.4
137.09572	2.2
139.07471	1.2
145.04976	2.1
145.06447	1.2
145.10141	16.4
147.08012	4.1
149.09610	1.7
153.12718	10.0
155.08530	2.8
163.06050	1.3
163.11180	26.0
173.09601	7.3
177.12627	1.2
181.12192	5.0
184.07309	1.0
189.94928	0.9
191.10657	11.0
195.13744	1.9
209.11732	10.3
223.13281	17.8
227.12804	5.0
239.23682	2.3
241.14348	27.6
257.24594	1.7
265.14346	15.8
283.12329	1.7
283.15378	24.0
297.16843	1.7
313.27353	81.7
314.27649	2.1
315.17999	45.1
327.28851	2.1
459.21704	1.0
503.31442	1.2
503.37430	13.5
511.48596	1.2
521.38385	100.0
522.38672	4.4
535.39929	1.5
539.39227	1.9
553.41010	70.1
554.41016	1.8
750.31915	1.0
817.53406	1.2
912.49493	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	912.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.3
67.05503	4.5
67.75465	1.0
69.03426	15.0
69.07046	3.3
70.18752	1.9
70.19144	1.7
71.01347	2.2
71.04990	52.6
73.02905	9.2
75.04474	5.8
79.05496	3.2
81.03398	2.8
81.07056	9.6
83.04977	24.8
83.08603	1.3
85.02901	100.0
87.04459	3.5
91.05444	2.2
93.07047	6.5
95.04953	2.0
95.08597	15.1
97.02275	1.3
97.02888	24.8
99.03839	1.0
99.04461	3.0
101.05997	2.0
103.03922	2.2
105.07037	4.7
107.08591	9.2
109.02898	1.4
109.10133	6.7
111.04426	15.2
113.02370	1.5
113.05992	1.4
115.03928	16.3
117.07059	1.1
119.08581	10.6
121.10131	7.3
123.04433	1.4
123.11686	3.6
127.03911	8.6
129.05475	42.1
131.08568	3.2
133.04938	3.0
133.10127	6.5
135.11700	5.6
137.13182	2.2
139.03880	3.3
143.08553	1.8
145.04900	4.7
145.10133	7.3
147.06514	20.0
147.11687	4.6
149.13237	5.8
157.04999	1.3
157.10077	2.0
159.11673	5.9
161.13243	3.7
163.14795	3.4
164.09218	1.5
165.07596	1.7
171.06554	2.3
171.11676	1.3
173.13252	4.8
175.14815	3.3
177.16394	4.4
178.18193	0.8
185.13287	1.3
187.14848	6.0
189.16365	4.9
191.17935	16.1
199.06151	0.9
199.14812	3.7
201.16356	17.6
201.18166	1.1
203.17882	5.8
205.19524	2.2
207.17389	2.2
213.16371	5.5
215.17972	2.8
217.19569	2.0
219.13774	1.1
225.07555	8.9
227.18013	2.1
229.19461	2.1
241.07048	1.0
243.08606	8.4
247.16899	9.5
255.08636	1.7
259.08121	1.8
259.16885	3.8
261.09625	3.0
261.18356	1.5
273.09753	1.8
279.10693	10.5
287.19910	1.7
299.20065	1.1
309.11826	4.4
320.42160	0.9
391.33524	5.7
409.34790	10.5
411.36102	2.6
437.34137	46.2
438.34198	1.4
455.35107	6.8
519.32532	1.0
683.56427	1.0
725.26349	1.0
796.27002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.9
69.03428	17.5
69.07061	4.7
70.69363	2.0
70.69706	1.4
71.01353	2.7
71.04992	38.3
73.02911	12.1
75.04480	6.9
79.05491	4.5
81.03407	2.1
81.07053	14.2
83.04985	17.9
83.08608	2.1
85.02902	100.0
87.04458	1.4
91.05489	5.7
93.07049	12.1
95.05012	2.1
95.08005	0.7
95.08597	22.6
97.02889	23.4
97.10173	1.4
99.04479	1.7
101.06018	1.4
103.03964	1.6
105.07031	16.5
107.04935	1.2
107.08595	16.3
109.02863	2.9
109.06483	1.0
109.10149	14.5
111.04445	13.8
111.08073	4.3
113.06003	1.9
115.03927	21.3
117.07025	1.8
119.08575	25.1
121.10139	12.5
123.11680	5.3
127.03906	7.3
129.05479	32.6
129.06967	2.2
131.08585	9.3
133.04950	4.6
133.10124	13.8
135.11678	9.2
137.13264	1.2
139.03914	3.7
139.11145	1.5
143.08556	4.5
145.04970	4.1
145.10120	16.4
145.11226	1.1
147.06517	17.9
147.11667	14.8
149.13268	15.2
155.08495	1.0
157.04976	1.4
157.10110	5.1
159.11685	13.5
161.13271	12.9
163.06076	1.5
163.07497	1.7
163.14851	5.5
165.07610	1.5
167.07010	2.3
169.10121	2.2
169.79143	0.9
171.06520	2.3
171.11644	4.5
173.13261	13.7
175.07545	1.1
175.14824	13.7
177.09152	1.2
177.16389	9.5
183.11690	2.2
185.13254	4.5
187.14816	11.9
189.16408	17.0
191.17979	2.9
197.13248	2.4
199.14783	8.3
201.16374	30.3
203.17966	9.6
205.15892	9.3
207.17444	16.2
211.14888	2.7
213.16399	10.2
215.17923	7.6
217.15866	1.9
219.13762	1.6
219.17470	3.8
221.15393	2.0
223.06029	1.7
223.14723	1.4
225.07599	10.4
225.16374	2.9
227.09058	1.1
227.17955	4.0
229.15726	1.5
229.19447	2.4
231.17297	1.2
233.15337	2.1
233.19016	3.5
237.16418	1.2
239.18019	2.5
241.19504	4.9
243.08655	6.3
245.15350	4.6
247.16953	11.0
253.19568	3.0
255.08704	2.3
257.15369	1.0
259.08118	1.9
259.16959	4.8
261.09738	3.2
265.19537	1.3
267.20901	1.6
273.09573	1.7
279.10684	14.3
281.22672	1.2
285.18546	2.2
287.19937	2.5
297.18820	1.5
299.19894	2.1
309.11853	4.7
325.21616	2.2
327.23056	2.0
347.26852	1.0
349.28885	2.4
389.32050	9.0
395.29535	7.2
407.27725	1.6
407.33087	28.2
409.34763	2.3
423.32639	7.1
425.34167	3.6
435.32599	61.4
436.67981	1.0
453.33673	54.5
471.34604	1.7
565.49200	1.0
567.36908	1.1
599.39856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	5.9
69.03429	16.7
69.07063	4.7
69.64049	4.1
71.01357	1.8
71.04992	34.6
73.02917	12.4
75.04482	6.8
79.05502	4.8
81.03416	2.7
81.07063	14.0
82.27568	0.9
83.04980	21.7
83.08624	2.7
85.02905	100.0
87.04464	3.7
87.31277	0.8
91.05486	5.3
93.07050	10.1
95.04968	2.5
95.08611	22.1
97.02895	25.0
97.06582	1.0
97.10143	1.0
99.04448	1.9
101.06044	1.2
103.03925	1.7
105.07025	11.9
107.08597	17.8
108.12112	1.1
109.02886	2.7
109.10157	13.5
111.04452	11.3
111.08114	4.6
113.06008	1.0
115.03924	19.7
117.07045	1.4
119.08582	21.1
121.10155	11.7
121.17128	0.9
123.11739	4.8
127.03917	6.5
129.05479	32.2
129.06952	1.9
131.08583	8.8
133.04964	3.7
133.10138	12.6
135.04425	1.4
135.11705	9.5
137.06012	0.9
137.13292	1.5
139.03883	3.3
139.11182	1.2
143.08569	3.5
145.04996	4.6
145.10121	15.6
147.06523	21.3
147.11682	14.9
149.09727	0.9
149.13260	14.4
153.09067	1.6
157.04976	1.4
157.10153	4.5
159.11702	11.7
161.13254	12.7
163.06152	1.3
163.07513	1.9
163.14799	6.1
165.07637	1.6
169.10136	1.7
171.06544	2.7
171.11716	5.0
173.13289	12.8
175.14857	14.1
177.16383	9.7
183.11731	1.9
185.13283	4.7
187.14819	10.8
189.16386	14.3
191.18063	1.6
193.04715	1.1
193.15872	1.3
195.06601	1.2
197.13243	2.5
199.14824	8.1
201.16393	27.2
203.17952	9.6
205.15817	9.4
207.17455	14.2
209.13177	1.1
211.14804	2.9
213.16405	6.8
215.17932	6.6
219.13881	2.4
219.17442	3.1
221.15358	3.4
223.14789	1.2
225.07579	9.4
225.16335	2.7
227.17940	3.5
229.19727	1.4
231.13687	1.3
231.17451	1.9
233.15399	1.7
233.18968	4.5
237.07622	1.4
239.17924	2.9
241.19499	3.4
243.08656	6.5
245.15315	5.0
247.16913	9.3
253.19441	2.1
259.08133	2.1
259.16946	4.6
261.09729	2.3
267.21014	3.1
271.17017	1.3
273.09619	1.7
279.10739	15.5
281.22873	1.2
285.22040	1.0
287.20087	2.1
299.20181	2.0
309.11823	6.4
313.21725	1.1
327.23221	1.2
341.24634	1.7
349.29016	2.5
353.24527	1.5
365.24731	1.0
379.26346	1.1
389.32080	7.1
391.33688	1.5
395.29416	5.2
407.33130	25.9
409.34637	2.6
423.32651	8.8
425.34079	2.7
433.30783	1.0
435.32599	55.9
436.32608	2.4
453.33646	52.7
454.33713	1.3
471.34869	1.3
563.37238	1.6
581.37744	1.4
807.79553	1.2
841.88434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	0.7
65.43151	0.4
67.05503	14.5
69.03424	3.1
69.07071	7.4
71.04990	2.4
71.08630	14.0
71.37325	0.9
73.02919	2.1
79.05488	11.6
81.03416	31.9
81.07053	20.2
83.04984	7.3
83.08614	17.3
85.02903	20.4
85.06503	1.4
85.10179	9.1
87.04440	0.7
89.05972	0.8
89.23578	0.4
91.03957	5.1
91.05477	16.7
93.07053	8.7
95.04967	14.1
95.08604	15.9
97.02881	5.6
97.06500	2.0
97.10168	7.0
99.04424	0.7
99.08028	0.8
99.11696	0.7
105.07029	12.7
107.04955	3.4
107.08597	4.1
109.02849	0.5
109.06525	3.2
109.10163	5.6
111.04398	1.0
111.07358	0.4
111.08075	5.5
111.11688	1.1
113.05950	1.1
115.05443	0.7
117.06976	0.9
119.07803	0.6
119.08586	9.8
121.06466	1.2
121.10151	5.6
123.08018	1.3
123.11731	2.9
125.09590	0.6
127.03880	1.5
127.07512	0.6
129.07013	5.5
131.08568	6.1
133.06429	1.5
133.10132	8.3
137.09599	0.8
137.13231	0.8
140.17035	0.4
142.07730	1.9
145.04933	1.9
145.10123	1.0
147.08002	1.5
147.11688	8.5
149.09608	3.3
157.10139	7.6
163.06052	2.2
163.11195	0.6
165.12708	1.6
175.09750	0.5
175.11179	8.8
193.12239	25.9
204.68620	0.4
211.13287	44.1
212.13556	0.6
214.59547	0.4
267.15912	17.1
267.26727	1.0
280.75220	0.5
285.16953	61.2
286.17188	1.0
289.23956	0.5
341.30484	60.2
342.30838	1.4
429.20572	0.4
533.33496	0.5
533.42047	13.5
551.43066	100.0
552.43481	3.6
596.94360	0.5
623.86926	0.5
684.25806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.4
67.39810	0.7
69.03425	12.9
69.07059	2.0
69.68468	4.4
71.01350	1.2
71.04992	57.2
71.17686	0.6
73.02909	6.6
75.04479	3.4
79.05490	3.3
81.03407	3.5
81.07053	5.6
83.04485	0.6
83.04974	12.1
83.05436	0.8
83.08617	1.3
85.02901	100.0
86.03241	1.7
87.04455	2.4
91.05484	2.7
93.07031	5.1
95.04987	1.4
95.08600	10.1
97.02896	16.6
97.06544	1.1
99.04466	3.8
103.03944	1.2
103.05434	0.7
105.07027	10.3
107.08571	6.6
109.02892	3.0
109.10145	4.6
111.04432	8.9
111.08091	0.7
115.03933	9.9
117.05486	0.8
117.07053	1.2
119.08576	9.1
120.93099	0.7
121.10131	4.2
123.11700	2.4
127.03912	7.5
128.06253	0.9
129.05476	34.5
129.06973	1.1
130.07809	0.9
131.08571	5.8
133.04962	1.7
133.10118	6.3
135.11678	5.3
137.05959	0.9
137.13301	1.1
139.03915	2.2
142.07819	1.2
143.08589	4.1
144.09319	1.2
145.04996	4.9
145.10103	10.1
147.06514	15.6
147.11687	5.2
149.05980	2.0
149.13222	3.8
151.11113	0.7
155.08569	2.0
156.09373	0.9
157.10132	4.9
158.10901	1.2
159.08035	1.5
159.11685	16.9
161.13272	3.5
163.05966	1.5
163.14835	1.8
167.08604	0.8
168.09361	5.4
169.04961	0.7
169.10146	1.8
170.10895	0.9
171.06537	1.6
171.11682	2.1
173.13271	7.5
175.14848	4.8
177.16402	0.9
179.07025	1.3
181.10039	0.8
182.10960	0.8
183.11676	21.5
184.12337	0.7
185.13257	7.6
187.14832	5.2
189.12732	0.7
189.16365	11.7
191.14273	0.8
191.17969	6.7
197.13202	3.2
199.06116	0.9
199.14827	3.8
201.12741	51.4
201.16251	3.4
203.14290	8.6
203.17987	3.1
205.19589	2.6
207.17426	7.1
209.13341	0.9
211.14844	2.2
213.16441	1.7
215.14297	4.1
215.17961	1.6
217.15854	1.7
217.19511	1.1
219.13760	5.4
225.07587	5.8
229.12350	1.4
229.15961	1.0
239.17824	1.1
241.07056	1.2
243.08667	4.9
243.13873	0.9
247.13286	32.5
249.14990	1.5
255.08757	1.5
261.10007	1.5
261.14862	19.9
263.16510	1.1
265.19733	0.8
273.09814	1.4
279.10745	5.9
309.11850	1.4
363.30496	0.8
381.31778	1.2
387.30704	1.5
389.32080	1.2
393.19092	0.9
405.31512	7.7
407.33023	1.8
423.32587	21.4
425.34308	2.7
433.31104	4.9
451.32068	14.3
452.32489	2.3
469.33185	21.5
555.36835	1.3
601.37274	1.1
735.23389	0.7
772.94214	0.9
821.46393	2.6
865.48285	1.3
909.48407	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	909.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05276	0.2
67.05499	3.2
68.06299	0.2
69.03428	4.1
69.07063	0.7
70.79737	0.4
70.80075	0.4
71.01347	0.4
71.04971	0.5
73.02914	4.4
79.05484	2.4
81.03419	3.3
81.07054	3.1
83.04963	0.7
83.08637	0.3
85.02900	7.6
87.04467	0.4
91.03957	4.2
91.05463	1.9
93.07038	2.6
95.04971	0.4
95.08599	2.2
97.02891	6.6
97.03497	0.3
97.06555	0.3
99.04448	1.0
103.03944	0.6
105.07028	1.4
107.08607	1.3
109.02855	1.2
109.10183	0.9
115.03915	0.6
117.07005	0.2
119.08621	0.7
121.09393	0.2
121.10136	1.2
123.08077	0.2
127.03910	2.1
131.08611	0.8
133.10132	0.6
135.11711	0.9
135.48972	0.2
137.09557	0.2
145.04970	0.4
145.10182	0.4
147.11729	0.5
149.09586	0.3
149.13251	0.3
157.10143	0.4
185.04271	0.8
192.87389	0.2
193.12305	0.5
199.59497	0.2
199.91624	0.2
203.05333	0.6
243.08382	2.2
243.93237	0.2
251.12531	0.8
269.12347	0.4
274.39099	0.3
294.77228	0.2
307.15039	0.4
335.25766	0.6
336.81308	0.2
347.09442	1.8
363.08929	0.4
365.10742	1.1
405.13693	5.0
469.20477	4.1
519.29279	5.0
520.29785	0.4
598.15674	0.3
631.25513	2.7
681.34546	6.3
681.46344	0.4
747.42639	1.4
872.82861	0.3
909.48138	100.0
910.48431	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	909.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76813	0.2
67.05508	2.7
69.03433	3.8
69.07071	0.6
71.01363	0.7
71.04990	0.7
73.02922	4.6
79.05495	2.3
81.03424	3.2
81.07053	2.8
83.04989	0.8
83.08623	0.5
85.02913	7.2
87.04463	0.3
87.69614	0.3
91.03963	4.2
91.05479	2.4
93.07045	2.4
95.04992	0.8
95.08617	1.9
97.02905	6.5
97.06555	0.4
99.04474	0.9
103.03951	0.3
105.07056	1.3
106.06643	0.3
107.08621	1.0
109.02897	0.8
109.10184	0.7
115.03951	0.4
117.07087	0.4
119.08612	1.1
121.10185	0.9
127.03927	1.8
129.07039	0.4
131.08604	0.8
133.10159	1.0
135.11700	0.3
145.04959	0.5
145.10155	0.7
147.11737	0.8
157.10155	0.6
175.11269	0.3
175.65456	0.3
183.17900	0.3
185.04253	0.8
193.12341	0.9
203.05357	0.6
211.13362	0.6
243.08405	2.7
251.12692	0.9
269.12363	0.5
285.17007	0.4
307.15100	0.5
335.25952	0.4
347.09518	2.3
363.09332	0.3
365.10748	1.1
405.13657	5.7
405.18384	0.4
469.20541	7.9
519.29327	3.9
631.25800	6.2
633.96069	0.4
681.34698	3.4
747.42932	1.3
909.48206	100.0
910.48621	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	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.7
69.03431	3.9
69.07070	0.7
69.51104	0.4
69.51513	1.7
71.01369	0.5
71.05002	0.5
73.02921	4.2
79.05499	2.6
81.03418	2.1
81.07058	3.3
83.01378	0.3
83.04992	0.6
83.08639	0.7
85.01346	0.2
85.02908	6.9
87.04484	0.3
91.03960	4.2
91.05493	1.4
93.07053	3.1
95.04989	0.5
95.08618	2.7
97.02896	7.0
97.03500	0.4
97.10210	0.3
98.21493	0.3
99.04476	0.8
101.02372	2.2
101.19033	0.2
103.03953	0.5
105.07024	0.8
107.08582	1.5
109.02887	1.2
109.10186	0.9
115.03890	0.3
117.07005	0.4
119.08604	0.9
121.10143	1.3
123.08125	0.4
127.03907	2.1
131.08585	0.6
133.10170	0.7
135.11717	1.0
142.41019	0.3
145.04982	0.2
145.10172	0.8
147.11743	0.6
149.13254	0.4
163.11224	0.9
185.04247	0.9
202.90506	0.3
203.05333	0.9
209.11925	0.3
243.08389	2.0
249.11166	0.4
259.08081	0.3
285.11804	0.3
305.08212	0.3
305.13568	0.3
335.26013	0.6
337.52429	0.3
347.09473	1.8
363.09152	0.4
365.10651	0.8
405.13696	5.1
406.14276	0.3
465.33405	0.4
467.18832	3.5
467.25012	0.2
468.19293	0.3
519.29224	4.6
548.40887	0.3
629.24231	2.9
661.37305	0.3
681.34583	6.5
745.41827	1.2
907.46625	100.0
908.47095	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	908.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	0.7
67.05498	9.8
69.03432	2.4
69.07068	5.9
71.01321	0.8
71.04963	1.7
71.08633	14.6
71.27782	1.0
73.02915	2.5
74.99520	0.4
79.05492	9.4
81.03410	6.3
81.07056	14.5
83.01334	5.1
83.04984	6.1
83.08613	10.3
85.02421	0.8
85.02904	11.1
85.06532	0.8
85.10182	7.9
85.22861	0.4
89.06013	0.8
90.07369	0.4
91.03950	6.0
91.05477	6.9
93.06477	0.8
93.07043	12.3
95.04967	3.4
95.08602	13.1
97.02364	0.5
97.02897	6.5
97.06532	2.4
97.10178	3.8
99.04435	1.6
99.87218	0.4
101.02333	0.5
103.05459	0.4
103.07594	0.6
105.07030	4.3
107.04955	4.2
107.08591	6.7
109.06526	4.4
109.10147	5.6
111.04425	1.3
111.08047	1.0
111.11695	1.8
115.03970	0.5
117.07014	3.6
119.08577	4.7
121.06551	2.2
121.07220	0.4
121.10159	4.0
123.08060	5.2
123.11698	2.0
125.05967	0.6
125.09610	0.9
127.03925	2.6
127.10286	0.4
129.06946	0.5
130.07809	0.7
131.08546	1.8
133.10086	0.9
135.08026	1.2
135.11696	7.1
137.09572	0.9
137.13232	1.3
139.07500	0.6
139.20096	0.5
141.96889	0.4
143.08498	0.5
145.04933	2.9
145.06483	0.4
145.10115	9.7
147.08031	1.4
149.05945	0.5
153.12685	1.3
155.08530	0.9
163.06015	4.2
163.11179	14.8
173.09656	2.2
181.12193	2.1
191.10674	1.3
209.11699	4.3
216.33479	0.4
225.45427	0.4
227.12759	2.2
267.26733	0.8
283.15390	100.0
284.15723	1.7
285.27863	0.8
341.30493	71.9
342.30856	1.6
421.39716	0.4
549.41498	51.9
550.41687	2.2
708.44446	0.5
773.67383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.7
69.03423	4.0
69.07058	0.7
70.02854	0.9
70.03268	0.6
71.01321	0.5
71.04993	0.8
73.02913	3.7
73.96038	0.2
79.05480	2.0
81.03416	1.9
81.07056	2.7
83.01338	0.4
83.04993	0.7
83.08618	0.8
85.02901	5.9
85.37073	0.3
87.04475	0.5
91.03951	3.8
91.05466	1.3
93.07030	2.8
95.04984	0.5
95.08611	2.5
97.02889	6.3
97.03505	0.4
98.21509	0.3
99.04465	1.3
101.02382	2.1
105.07040	0.9
107.04990	0.3
107.08592	1.2
109.02867	0.8
109.06535	0.3
109.10168	0.7
115.03889	0.4
117.07025	0.5
119.08589	0.9
121.10157	1.1
123.04424	0.2
127.03912	1.7
131.08592	0.7
133.10118	0.4
135.11702	1.0
145.04974	0.3
145.10135	1.2
149.13316	0.3
163.11218	0.9
171.27217	0.3
181.12222	0.3
185.04219	0.8
203.05225	0.7
209.11842	0.4
243.08382	2.0
248.01163	0.3
249.11031	0.3
266.04654	0.3
283.15469	0.8
305.13596	0.5
347.09503	1.6
363.09024	0.6
365.10489	1.0
405.13657	4.8
406.13998	0.3
467.18903	6.3
519.29279	3.5
629.24127	5.9
630.24835	0.3
681.34454	3.8
681.45288	0.4
745.41052	1.2
907.46582	100.0
908.47107	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	906.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
66.36888	0.6
67.05164	0.9
67.05506	13.3
69.03426	1.7
69.06709	1.0
69.07069	13.8
69.26182	6.1
71.04992	2.8
71.08636	2.8
73.02916	2.7
79.05492	12.0
80.20126	0.5
81.03410	6.1
81.07059	17.9
83.01347	4.4
83.04980	5.5
83.08621	15.0
85.02905	10.4
85.06512	1.0
85.10168	0.9
86.11470	0.5
88.46366	0.6
91.03953	6.2
91.05484	6.8
93.07047	18.4
95.04975	3.7
95.08603	13.4
97.02896	6.2
97.06535	2.9
97.10168	7.5
98.20757	1.1
99.04451	2.1
99.08111	0.7
105.07028	4.6
107.04955	4.1
107.08589	9.9
109.02863	0.6
109.06541	3.9
109.10155	6.5
111.04449	1.2
111.08079	2.1
111.11716	2.1
112.63483	0.5
117.07038	4.0
119.08574	5.5
121.06504	1.4
121.10162	9.2
123.08076	4.2
123.11687	1.3
125.05978	0.9
125.09619	2.1
125.13287	0.7
127.03897	2.7
129.06990	0.9
130.07790	0.9
131.08565	2.5
133.10109	1.0
135.08046	1.4
135.10800	0.9
135.11705	10.4
137.09616	1.2
137.13280	1.0
139.11243	0.7
144.21565	0.5
144.23164	0.6
145.04987	2.4
145.10124	8.0
147.08009	0.6
149.13234	1.9
151.14909	0.7
153.12730	2.1
163.05998	2.7
163.11177	14.0
163.14786	1.0
163.85104	0.7
165.03699	0.5
173.09642	2.2
181.12245	2.2
191.10675	1.4
209.11726	4.6
227.12804	3.2
247.24269	0.6
265.25278	1.5
283.15408	100.0
284.15808	1.6
339.28952	64.8
340.29333	1.2
529.38623	0.9
547.39966	47.7
548.40082	1.9
842.47986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90160	0.7
65.03956	1.1
67.05157	1.1
67.05505	13.0
69.03423	1.3
69.07071	14.9
69.88922	1.8
69.89337	1.9
71.04988	2.3
71.08614	2.4
71.96882	0.6
73.02909	1.9
79.05489	12.3
79.80629	0.6
81.03413	6.5
81.07059	20.0
83.01337	4.8
83.04987	4.5
83.08626	14.6
85.02905	11.9
85.06519	1.3
91.03957	5.7
91.05479	7.2
93.06456	1.0
93.07043	17.8
95.04971	3.3
95.08030	1.2
95.08608	15.5
97.02895	5.8
97.06507	3.7
97.10173	6.2
99.04435	2.0
105.07045	5.5
107.04972	3.2
107.08585	7.3
109.06539	3.0
109.10166	5.8
111.04415	1.2
111.08077	1.7
111.11726	2.5
115.03891	0.7
117.07040	3.7
119.08580	5.4
121.06492	1.6
121.10152	9.3
123.08069	4.9
123.11720	0.7
125.05984	1.0
125.09628	1.3
127.03917	2.4
129.06999	0.8
131.08560	0.9
133.10091	0.8
135.08054	1.4
135.11691	10.3
137.09590	0.9
145.04945	2.8
145.10136	9.3
147.08096	0.9
149.13252	1.6
153.12749	2.3
155.08537	0.9
163.06013	2.8
163.11200	14.2
173.09624	2.0
181.12195	1.5
191.10667	1.5
209.11711	3.9
227.12752	3.0
247.24156	0.9
265.25198	0.9
283.15396	100.0
284.15793	2.2
339.28940	63.0
340.29123	1.8
433.82825	0.7
449.22357	0.7
488.76489	0.7
506.97372	0.7
529.38226	0.8
547.39966	50.2
548.40149	2.4
834.32037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.7
67.05166	1.7
67.05510	30.5
69.03420	5.2
69.07067	9.3
70.61783	1.1
70.89618	2.7
71.04981	3.6
73.02928	3.0
76.04937	1.1
79.05495	27.0
80.05831	1.2
81.03419	35.7
81.07061	34.3
82.07368	1.6
83.04985	7.7
83.08616	17.0
84.96004	1.1
85.02901	17.8
85.06509	2.4
91.03959	4.6
91.05482	18.6
93.07042	26.4
94.07396	2.2
95.04971	14.8
95.08616	24.6
96.42821	1.4
97.02885	6.2
97.06541	2.9
97.10153	3.0
105.07030	15.9
107.04971	2.0
107.08601	14.6
107.26991	1.2
109.06535	2.8
109.10165	9.7
111.04456	2.4
111.08083	5.3
113.06028	2.4
115.05429	1.6
117.07018	4.8
119.08585	11.3
121.10146	13.7
123.08101	2.5
123.11671	3.2
125.09638	2.5
127.03875	1.6
129.07002	5.3
131.08595	9.1
133.06552	1.5
133.10178	6.8
135.11691	7.8
137.09663	2.3
145.04985	1.8
145.10165	3.7
147.08095	2.5
147.11699	9.7
149.09648	3.0
149.13263	3.8
155.56180	1.2
157.10109	7.4
159.11725	2.8
161.13248	1.6
163.11224	3.9
165.12770	2.4
173.13239	2.5
175.11188	10.2
187.14835	1.4
193.12262	24.3
193.14020	1.4
211.13310	38.1
227.12746	2.5
236.83682	1.3
243.21078	2.2
261.22095	6.0
262.22717	1.4
267.15948	9.3
267.18530	1.5
283.15314	6.0
284.15863	4.5
285.16980	29.4
299.43936	1.2
317.24783	1.6
335.21988	2.5
335.25830	40.1
336.26120	4.1
337.26782	2.3
509.36484	1.2
527.37463	7.7
543.36554	1.4
544.36676	3.3
545.38373	100.0
546.38385	4.2
904.49518	8.0
905.51031	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	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26965	0.7
66.47215	0.6
67.05504	27.0
69.03424	3.3
69.07069	6.7
70.89763	1.6
71.04990	2.2
73.02917	1.6
79.05492	20.8
81.03046	0.7
81.03416	27.1
81.07053	27.2
83.04981	6.8
83.08614	12.6
85.02902	15.8
85.06549	0.9
91.03959	3.0
91.04892	0.8
91.05476	16.8
93.07043	22.9
94.07375	0.8
95.04964	10.5
95.08601	15.7
97.02877	3.9
97.06534	2.7
97.07958	0.8
97.10172	3.1
99.08086	1.0
105.04483	0.8
105.07035	12.5
107.04962	1.8
107.08592	11.2
109.06516	2.0
109.10144	7.9
111.04430	1.8
111.08086	3.8
113.06011	1.0
115.05416	1.2
117.07037	2.1
119.08572	11.6
121.06530	1.0
121.10128	11.3
123.08038	2.2
123.11714	2.2
125.09624	1.1
129.07019	3.7
131.08572	6.8
133.10129	6.1
135.11713	7.3
136.12029	1.0
137.09531	1.1
145.04971	0.9
145.10127	2.6
147.08055	1.2
147.11674	6.4
149.09647	2.7
149.13274	2.1
157.10106	5.6
159.11702	2.5
161.13316	1.3
163.11189	1.6
163.14769	1.0
164.11565	0.8
165.12807	1.5
172.28284	0.9
173.13286	2.3
175.11195	6.3
193.12238	17.5
211.13283	22.1
211.15247	1.3
215.69685	0.7
227.12804	2.4
228.13297	0.9
243.21091	1.9
261.22125	5.6
267.15906	5.6
283.15375	2.1
284.15701	2.0
285.16977	27.7
317.24756	0.9
335.25781	45.9
336.26221	4.3
337.26389	1.8
419.72726	0.7
429.20673	0.8
448.12567	0.8
453.33612	1.2
527.37378	7.9
543.36682	0.9
544.37213	2.6
545.38348	100.0
546.38672	3.4
546.46417	0.8
563.39209	1.0
689.42548	1.5
734.09930	0.8
904.48962	1.5
905.50208	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	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
65.29168	0.3
67.05503	41.2
67.06027	1.2
69.03431	3.6
69.07069	9.4
69.94779	0.3
71.01331	0.5
71.04996	3.7
73.02916	3.2
77.03875	0.7
77.44955	0.4
79.05492	32.7
81.03416	37.0
81.07053	41.5
83.04984	9.0
83.08615	16.1
84.08903	0.4
85.02903	22.6
85.06489	1.5
91.03956	5.1
91.05479	30.0
92.05814	0.4
92.53349	0.3
92.76799	0.4
93.07042	31.7
95.04968	16.4
95.08602	26.8
97.02886	6.5
97.06529	3.2
97.10172	3.3
99.04401	1.0
99.08051	0.9
99.17532	0.4
103.03983	0.4
103.05408	0.5
105.04510	0.9
105.07027	20.5
105.24750	0.3
107.04375	0.4
107.04945	4.0
107.08588	17.6
109.06528	3.6
109.09472	0.6
109.10155	10.8
111.04416	1.4
111.07346	0.5
111.08073	6.4
113.05956	1.7
115.05402	0.8
117.07026	4.9
119.06036	0.4
119.08575	15.9
121.06451	1.0
121.10141	14.0
123.08073	2.2
123.11700	2.8
125.09605	1.1
127.03900	2.2
127.07500	0.4
128.06139	0.6
128.21828	0.4
129.07005	7.5
130.07748	0.5
131.08568	11.8
133.06444	1.2
133.10132	10.4
135.08044	0.5
135.11690	6.7
137.09552	1.5
137.13199	1.0
139.11139	0.4
142.07762	2.1
143.08549	0.9
145.04968	2.9
145.10117	5.5
147.08055	2.1
147.11684	12.9
149.09587	3.6
149.13258	4.4
151.11151	0.8
155.08495	0.6
157.10127	9.3
159.11705	3.1
161.13245	2.1
163.06017	2.0
163.11183	0.7
163.14783	1.7
165.12714	1.9
171.11661	0.9
173.13252	3.0
175.09731	0.7
175.11168	9.5
175.14740	1.0
177.16391	0.7
183.11676	0.5
185.13274	0.5
187.14775	1.6
189.11174	0.5
193.12236	23.0
201.16359	0.4
211.13286	36.4
227.12706	0.6
229.44299	0.5
243.21042	3.4
249.14752	0.5
260.52451	0.4
261.22144	9.2
267.15884	10.1
269.17569	0.5
283.15295	0.5
285.16949	40.0
286.17313	1.1
299.23672	0.6
301.25128	0.5
303.77002	0.4
317.24838	2.6
335.25787	67.7
336.26041	2.1
417.31345	0.7
435.32593	1.7
453.33755	1.9
471.34790	0.7
527.37311	11.2
545.38361	100.0
546.38763	4.1
554.33441	0.4
557.63837	0.4
563.39410	0.4
872.16797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	2.5
67.05506	44.8
69.03431	4.5
69.07068	12.0
69.56015	4.1
71.04994	4.5
73.02926	4.0
77.03908	0.7
79.05496	37.9
81.03418	55.6
81.07056	50.7
81.07500	1.0
83.04979	13.0
83.08620	21.3
85.02903	30.4
85.06489	1.8
91.03954	8.7
91.05482	33.5
93.07044	37.1
94.07357	0.7
95.04968	22.4
95.08607	33.6
96.04427	0.6
97.02890	9.2
97.06513	4.0
97.10188	5.4
98.21589	0.6
99.04444	0.9
99.08067	1.4
105.04518	0.7
105.07031	25.9
107.04966	6.0
107.08597	20.2
109.02811	0.7
109.06490	4.2
109.09469	0.7
109.10160	12.7
109.59517	0.5
111.04388	2.7
111.07358	0.7
111.08072	9.9
113.05985	2.2
115.03902	1.0
115.05421	1.6
117.07027	4.5
119.08584	21.5
121.06456	1.8
121.09316	1.1
121.10146	18.4
123.08084	3.1
123.11697	4.2
125.05942	0.6
125.09590	2.3
125.87633	0.6
127.03877	2.1
129.07005	8.9
131.08575	14.9
133.06461	1.6
133.10129	14.9
135.11702	7.3
137.05865	0.6
137.09576	2.7
137.13191	1.7
139.14525	0.5
142.07794	2.8
143.08549	0.9
145.04892	3.1
145.10127	6.0
147.08014	2.7
147.11693	15.4
149.09590	6.3
149.13258	4.1
157.08899	1.1
157.10115	12.2
159.11673	4.0
161.13245	2.5
163.06058	3.6
163.11127	0.9
163.14783	2.4
165.12758	2.8
171.11681	1.2
173.13283	3.5
175.11195	13.3
175.14694	0.6
177.16270	0.5
185.13231	1.2
187.14809	1.6
189.11151	0.7
193.12238	39.6
199.14763	0.6
211.13290	67.0
212.13568	1.4
227.12738	1.5
229.14293	1.3
243.21066	2.3
244.31958	0.6
261.22159	11.4
267.15927	13.6
269.17603	0.6
279.23160	0.9
283.15219	0.9
285.16959	77.1
286.17331	1.1
303.22409	0.7
317.24670	2.0
335.25797	67.5
336.26144	2.5
417.31418	0.9
435.32611	2.8
453.33667	2.2
471.34793	1.0
475.63916	0.6
509.35843	0.9
527.37378	13.0
528.37811	0.7
545.38379	100.0
546.38721	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	903.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.2
69.03436	2.0
69.07081	1.2
71.08654	1.3
71.61687	0.5
72.48982	0.5
73.02917	2.6
79.05500	1.0
81.03440	1.5
81.07075	1.8
83.08640	1.0
85.02891	4.3
85.10197	1.1
91.03962	2.6
91.05504	0.8
93.07034	1.0
94.77937	0.5
95.01083	1.0
95.08620	1.2
97.02921	4.1
99.04482	1.2
101.02396	1.4
101.78928	0.5
108.83774	0.5
109.02849	0.8
109.10191	1.0
118.39423	0.5
121.10184	0.8
125.02127	1.0
127.03892	2.6
129.05533	1.2
139.03694	0.9
141.05273	0.7
145.05025	1.4
157.04781	1.0
169.04825	1.1
185.04222	3.6
199.05771	0.7
201.03725	3.7
203.05379	2.2
227.05435	0.7
243.08459	1.2
248.93205	0.6
257.06302	2.6
259.07993	1.6
273.05963	0.9
299.07574	0.9
301.08926	4.9
301.11517	0.5
313.27463	0.6
315.10599	1.2
319.10156	2.5
329.08655	1.7
346.08942	0.8
347.09509	13.8
361.11127	0.9
363.08917	8.2
365.10434	1.2
373.11237	0.9
383.16940	1.4
385.18445	2.2
389.10776	0.7
405.13763	4.7
463.14233	14.7
475.14374	0.7
477.16025	3.5
497.31018	5.5
503.17358	1.2
517.18750	0.8
519.20734	1.1
535.16193	4.9
539.31830	1.1
545.22369	1.7
547.23578	8.3
549.18201	1.3
555.31586	2.1
557.33508	1.1
563.19476	0.8
569.33582	1.6
577.20813	1.4
585.32288	2.5
591.22510	1.0
605.24139	1.4
619.26031	1.3
623.41559	0.7
633.27606	1.6
639.41357	1.4
647.25934	0.6
659.36127	16.6
660.36584	0.8
669.41748	1.1
675.34711	1.9
731.38141	7.3
745.39960	2.2
759.41614	2.6
773.42804	1.0
787.44318	0.7
801.46234	6.0
815.47809	0.6
841.48840	1.1
843.45947	1.2
857.48169	1.0
885.47607	2.8
886.49359	0.7
903.49207	100.0
904.49170	5.6
922.42712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
66.20365	1.0
67.05506	36.8
69.07065	13.9
71.04985	2.8
71.62067	1.5
73.02912	1.8
79.05493	29.2
79.61462	1.1
81.03409	5.0
81.07062	38.5
83.01344	1.7
83.04976	3.9
83.08620	8.6
85.02905	7.0
85.06551	1.4
85.36255	1.1
91.03953	2.9
91.05482	13.8
93.07043	43.6
93.10444	0.9
94.07359	1.0
95.04976	7.3
95.08608	41.7
97.02896	3.6
97.06532	5.2
97.10172	2.9
99.04439	2.3
100.39098	1.0
102.58205	1.0
105.07027	12.9
107.04951	5.9
107.08596	29.9
109.06516	2.1
109.10165	14.1
111.08046	2.7
117.07006	8.5
119.08582	14.4
121.06516	2.9
121.10161	19.2
123.08081	1.5
123.11699	3.4
125.06001	1.7
127.03951	1.5
130.07777	2.0
131.08545	6.0
133.10115	6.7
135.08006	2.0
135.11693	39.4
137.13277	1.2
143.08508	1.4
145.10118	20.5
147.11691	4.2
149.13287	4.1
159.11708	3.2
161.13274	2.4
163.09813	2.4
163.11188	41.7
163.14890	1.4
173.13298	2.5
181.12253	6.7
187.14818	1.5
193.12273	2.0
209.11763	2.0
220.49681	1.1
227.12779	44.7
243.21091	3.5
261.22183	8.1
267.15964	2.4
283.15396	60.9
317.24802	2.1
333.23239	1.1
335.25812	99.5
336.26184	2.1
471.69879	1.1
543.36835	100.0
544.37085	4.3
561.37708	1.4
592.47644	1.2
662.65326	1.4
762.54639	1.2
903.49170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.5
66.91730	0.6
67.05505	54.5
69.03431	4.4
69.07071	15.1
69.30929	6.3
69.63643	0.6
71.01323	1.2
71.04994	4.2
71.08599	1.5
73.02917	6.5
79.05495	48.8
81.03422	16.7
81.07057	62.3
82.03757	0.8
82.07359	0.6
83.01343	8.3
83.04981	13.1
83.08621	15.4
85.02902	22.3
85.06493	1.7
87.04423	0.7
91.03957	10.9
91.05481	30.4
93.07047	65.2
95.04974	9.3
95.08607	46.7
97.02291	0.7
97.02898	13.3
97.06527	6.3
97.10176	5.9
98.83337	0.6
99.04456	4.2
99.08092	1.4
103.03967	0.6
103.05439	1.1
105.04479	1.8
105.07030	24.9
107.04957	9.0
107.08595	35.0
109.02869	0.8
109.06518	8.5
109.10158	19.2
109.10892	1.3
111.04435	3.8
111.08096	3.4
115.05400	1.1
117.07020	13.6
119.08586	19.4
121.06512	4.4
121.09312	1.5
121.10143	22.4
123.08073	9.3
123.11707	5.3
125.05956	1.8
125.09644	4.1
127.03928	4.7
129.07005	3.6
130.07759	2.4
131.08574	15.2
133.10136	10.5
135.08096	3.0
135.11693	21.8
137.09583	2.3
137.13222	1.6
139.11143	1.0
143.08533	1.7
145.04932	5.3
145.06432	1.4
145.10126	24.5
147.08017	1.9
147.11699	6.9
149.09607	1.7
149.13277	7.5
151.11174	1.2
153.12747	4.3
155.08549	1.7
157.10095	2.0
159.11699	7.6
161.13297	5.3
163.06052	5.7
163.09828	1.1
163.11186	23.4
163.14828	3.5
165.09174	0.7
169.10181	0.7
171.11642	1.6
173.06245	0.6
173.09631	4.1
173.13278	5.0
175.14729	2.6
177.16321	1.5
181.12239	3.1
185.13297	0.9
186.41335	0.7
187.14774	2.5
189.11203	3.0
191.10672	2.4
193.12236	2.6
199.14851	1.3
201.16432	1.1
209.11668	6.8
211.13225	1.4
215.17944	0.8
227.12779	12.6
233.22653	0.9
241.19637	1.1
243.21037	6.4
259.20517	1.8
261.22141	21.6
267.15918	5.0
268.16190	2.3
269.16684	1.0
277.21469	0.9
281.22406	0.7
283.15408	100.0
284.15701	1.8
297.22186	0.8
299.23615	4.6
301.21512	0.9
313.27451	3.9
314.27777	2.4
315.23120	0.7
317.24783	6.6
327.32321	0.6
333.24228	2.7
335.25800	97.6
336.26086	2.6
375.83441	0.7
433.31042	3.5
451.32141	4.5
461.29089	1.0
469.33081	3.3
487.34241	1.8
505.38794	1.7
506.39188	2.0
507.39948	1.5
515.37280	1.4
517.34686	0.6
525.35657	7.3
543.36829	92.5
544.37360	3.1
561.38312	4.5
603.64612	0.8
878.08472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.0
69.03413	1.0
70.39605	2.0
73.02920	1.1
79.05481	0.6
81.03423	0.5
81.07043	0.7
85.02905	2.3
91.03937	1.2
93.07018	0.6
96.27108	0.4
97.02884	1.8
104.46528	0.6
127.03930	0.6
186.23544	0.5
235.62253	0.5
243.08331	0.5
258.53079	0.5
288.35687	0.5
307.37729	0.5
347.09406	0.7
405.13885	1.1
469.20566	2.7
511.32483	1.3
551.64386	0.5
583.26727	0.6
631.25720	1.9
645.21210	0.6
673.37225	1.1
739.45337	0.6
901.45770	100.0
902.45990	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	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.6
67.05506	35.7
69.03419	3.3
69.07072	9.4
69.34093	1.3
69.34496	4.1
71.01341	1.1
71.04975	2.5
71.08611	0.6
73.02912	3.7
77.03923	0.8
79.05493	31.4
81.03419	10.2
81.07056	40.3
83.01339	6.9
83.04980	8.6
83.08623	9.1
85.02412	1.1
85.02903	15.2
85.06541	1.2
91.03966	9.3
91.05479	19.6
93.07046	39.2
95.04964	7.7
95.08607	26.2
97.02895	8.3
97.06535	4.8
97.10177	5.2
99.04459	2.7
105.04494	1.1
105.07031	14.3
107.04951	5.8
107.07862	1.1
107.08592	21.0
109.06514	5.1
109.10155	13.3
111.04420	2.1
111.08067	2.3
117.07015	8.9
119.07785	0.9
119.08592	13.0
121.06511	2.7
121.10142	17.9
123.08063	7.5
123.11726	4.7
125.05984	1.3
125.09643	3.8
127.03928	3.2
129.06979	2.1
130.07768	0.9
131.08578	9.4
131.96791	0.6
133.10138	7.6
135.08025	2.0
135.11700	17.3
137.09599	1.8
137.13222	1.6
139.11223	0.7
143.08568	1.4
144.06557	0.7
145.04951	4.2
145.06444	0.7
145.10124	16.7
145.11259	0.9
147.08081	1.3
147.11700	5.5
149.09586	0.8
149.13249	5.6
151.14812	0.8
153.12735	2.5
155.08536	1.8
157.10107	1.4
159.11673	5.1
161.13257	3.1
161.80983	0.6
163.06050	5.6
163.11179	17.9
163.14874	2.8
164.11436	0.8
165.12794	0.9
169.10101	0.8
171.10223	0.8
171.11700	1.3
173.09584	2.6
173.13257	3.5
175.14804	1.3
179.14206	0.6
181.12257	2.9
185.13266	0.9
187.13235	0.6
187.14839	2.3
189.11209	2.4
191.10648	1.8
193.12192	1.3
199.13112	0.7
199.14899	1.3
201.16400	0.7
209.11710	5.7
209.13379	0.7
211.13255	1.4
227.12755	10.7
231.43210	0.6
241.19589	0.6
243.21048	4.7
259.20630	1.6
261.22150	14.2
267.15939	3.7
268.16287	1.7
271.24515	0.6
277.21582	0.8
279.23325	0.7
281.22388	0.7
283.15399	100.0
284.15659	2.0
284.19058	0.6
299.23605	4.7
301.21689	0.6
313.27377	0.7
314.27673	0.8
317.24866	4.1
333.24332	2.8
335.25797	64.6
336.26001	1.6
423.32782	0.8
433.31067	1.7
451.32059	3.8
469.33282	3.6
487.34216	2.0
505.38779	0.8
506.39371	0.8
507.39902	0.8
515.37036	0.9
525.35815	7.2
543.36810	62.2
544.36957	2.8
561.38055	4.9
666.34753	0.7
933.61548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.6
69.03432	1.9
69.07072	6.4
69.55223	5.0
71.04989	1.6
71.08280	1.4
71.08634	19.2
73.02899	1.4
79.05494	8.6
80.05820	0.9
81.03417	53.0
81.06571	0.9
81.07052	16.6
83.04962	2.6
83.08621	16.6
85.02905	5.3
85.06519	1.1
85.10183	9.9
86.73545	0.7
89.06034	1.5
89.43993	0.7
91.03965	3.7
91.05481	11.8
93.07031	5.0
95.04974	15.9
95.08608	15.9
97.02864	3.7
97.06488	0.9
97.10133	4.2
99.08076	0.8
99.11718	1.0
105.07027	7.4
107.04961	4.9
107.08587	3.2
109.06516	1.9
109.10146	7.1
111.04446	1.9
111.08116	4.5
117.07025	1.2
119.08576	7.4
121.06516	1.8
121.10139	4.5
123.08031	1.1
123.11696	3.0
127.03963	1.3
129.07013	6.2
131.08578	6.1
133.06474	2.7
133.10141	3.9
137.09579	1.7
137.13254	1.0
145.04948	2.3
145.10074	1.6
147.04472	0.8
147.08055	2.4
147.11693	5.5
149.09612	3.9
157.10132	5.8
163.06059	2.7
163.11119	0.9
165.12827	1.2
175.11214	6.3
187.03687	1.0
193.12242	23.1
235.13284	1.4
239.23752	1.5
243.01382	0.8
249.14818	1.2
257.24637	1.0
259.13339	0.9
267.15918	95.2
268.16351	1.3
273.14923	1.1
301.14160	1.5
309.16922	1.8
313.27371	100.0
314.27698	2.8
448.14331	0.9
505.38898	84.0
506.39365	2.6
523.39508	2.0
547.39813	6.4
583.92432	0.8
601.41003	1.8
613.40961	1.6
631.41449	1.7
649.43164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.1
66.96140	0.4
67.02630	0.5
67.05508	13.5
69.03430	3.8
69.07070	7.0
71.01342	0.5
71.04960	0.8
71.08636	13.7
71.61446	0.7
73.02921	4.7
79.05503	8.9
81.03429	5.7
81.07059	14.1
82.04196	2.1
83.04983	5.5
83.08624	7.8
84.02102	1.0
85.02905	11.3
85.06551	1.0
85.10189	8.2
85.10663	0.3
87.04468	0.6
89.06025	0.7
91.03495	0.4
91.03959	5.3
91.04961	0.5
91.05481	7.3
93.07052	6.2
94.07830	0.8
95.04968	5.1
95.08604	13.1
97.02367	0.5
97.02897	6.5
97.06532	3.6
97.09614	0.7
97.10167	8.4
98.07323	3.4
99.04420	0.8
99.08053	0.6
99.11702	0.8
103.07555	1.3
105.07038	3.1
107.04946	2.4
107.08591	4.3
109.02892	0.6
109.06488	1.8
109.10159	6.9
111.04408	0.8
111.08041	1.6
111.11643	0.4
113.09718	0.5
116.04710	8.0
117.06990	1.6
119.08589	2.7
121.06479	0.9
121.10135	2.1
123.04326	0.5
123.08073	2.6
123.11712	2.0
125.06066	0.5
125.09633	8.0
125.13244	0.6
126.10305	0.6
127.03910	2.1
127.11151	1.0
129.05479	21.2
129.06981	1.8
131.08566	2.5
132.09373	0.5
133.10114	2.9
135.08026	1.7
135.11664	1.6
137.09572	1.0
137.13264	0.7
143.07042	4.4
143.27286	0.4
145.04951	2.5
145.10091	1.8
147.08029	0.6
147.11687	2.5
149.09552	1.3
151.11102	0.4
153.09062	0.7
153.12709	0.9
157.08578	9.9
157.10078	2.2
158.05721	0.5
159.18527	0.4
160.08852	0.4
163.06026	2.3
163.07220	0.4
163.11157	1.6
164.11996	0.5
165.12756	0.5
171.06499	1.5
171.10175	3.8
173.26593	0.4
174.15251	0.5
175.11165	1.6
181.12233	0.6
185.07945	0.6
185.11722	0.9
189.11224	5.4
191.10678	1.0
193.12221	2.0
199.13298	2.4
200.14035	1.7
209.11696	1.3
210.12527	1.3
211.13284	0.5
213.11247	0.6
227.10747	0.8
227.12790	8.3
229.14388	0.7
239.23769	2.3
255.15953	2.1
257.24680	1.4
267.15927	4.1
269.17450	0.6
283.15457	5.4
284.16031	0.9
285.16959	0.5
301.16467	100.0
302.16846	1.8
311.22134	1.0
313.27371	65.2
314.27707	1.9
367.28394	3.0
395.31598	1.5
438.37122	1.3
467.37540	1.5
504.37814	0.6
505.38684	4.0
518.81097	0.5
521.38422	3.0
522.39130	2.0
539.39453	66.7
540.39868	2.8
595.68481	0.4
666.21252	0.5
825.66931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03876	0.6
67.05502	8.9
67.05830	0.6
69.03367	2.7
69.07065	4.7
69.41720	2.1
69.42151	2.3
71.01304	1.1
71.04942	1.1
71.08631	13.8
71.08986	1.0
72.76374	0.7
73.02852	2.2
79.05489	4.2
81.03407	3.0
81.07056	14.5
83.04922	2.2
83.08620	11.6
85.02909	9.0
85.06483	1.3
85.10184	8.5
87.02876	0.5
89.05969	1.5
91.03967	4.5
91.05478	11.0
93.07043	7.7
93.78890	0.6
95.04900	2.4
95.08612	13.3
95.09183	0.8
96.83337	0.5
97.02905	8.1
97.06454	1.5
97.10185	2.8
97.10642	0.6
99.00821	11.9
99.04409	1.3
103.07510	0.7
105.07030	8.9
107.04946	4.0
107.08577	4.3
109.02876	6.6
109.06448	1.8
109.10149	6.3
111.08009	2.2
115.03869	2.2
117.06947	1.9
118.81327	0.5
119.04954	0.8
119.08583	6.0
121.06499	5.0
123.04403	1.2
123.07999	1.0
123.11710	3.1
127.03915	4.1
128.06209	0.6
130.31818	0.6
133.06467	1.0
133.10129	25.4
135.07996	0.6
135.11612	1.2
137.05963	0.7
137.09601	0.8
137.13214	0.9
139.07455	2.2
143.08578	3.8
145.04909	2.4
147.07973	1.1
151.11182	7.6
153.06926	0.8
161.09616	13.9
163.05965	2.5
163.07202	0.6
163.11087	0.8
171.08051	2.6
179.10670	7.1
184.07285	0.9
189.09090	6.4
197.11644	2.2
207.10130	2.1
225.11241	7.9
239.23730	1.7
243.12265	1.8
257.24780	1.3
281.13867	4.1
299.14890	100.0
300.15274	2.1
313.27365	77.9
314.27853	2.7
316.04999	0.5
318.74194	0.6
537.37878	57.0
538.38385	2.1
571.70551	0.6
896.50348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	11.4
67.10914	0.8
69.03423	2.5
69.07078	6.6
71.04989	2.1
71.08277	1.1
71.08638	16.6
73.02908	2.5
74.65747	0.8
75.15928	0.8
79.05484	9.7
81.03424	6.2
81.07056	17.0
83.01338	4.9
83.04973	5.5
83.08623	10.8
85.02900	11.8
85.10181	9.3
91.03956	6.3
91.05487	6.2
93.07059	12.1
95.04974	4.2
95.08604	12.4
96.32291	1.0
97.02893	6.9
97.06534	2.9
97.10176	4.8
99.04482	1.9
99.11682	1.0
105.07047	5.0
107.04969	3.6
107.08598	8.3
109.02836	0.8
109.06516	4.0
109.10169	6.1
111.04427	1.5
111.08115	1.0
111.11704	1.3
115.03957	1.0
117.06985	4.2
119.08590	3.3
121.06498	1.2
121.10122	4.2
123.08065	6.9
123.11700	3.2
127.03905	2.6
131.08569	2.2
133.10150	1.3
135.11707	9.0
137.09618	1.6
138.55586	1.0
145.04962	2.6
145.10146	8.5
147.08130	1.3
153.12761	1.2
163.06030	3.8
163.11180	14.5
173.09671	2.1
181.12239	2.1
191.10593	1.6
209.11693	3.0
227.12776	1.9
251.90717	1.2
253.25313	1.1
271.26483	0.9
283.15414	100.0
284.15720	1.1
293.10590	1.0
327.28940	72.9
328.29266	1.6
486.33655	1.0
524.72913	1.1
535.39954	50.9
536.40002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.6
67.05505	28.2
67.71659	0.8
69.03425	4.1
69.07062	8.7
71.04982	1.4
71.05540	1.9
71.08628	14.7
73.02903	2.7
78.46516	0.8
79.05492	15.3
81.03425	6.5
81.07056	22.3
83.04977	2.9
83.08624	11.8
85.02496	1.1
85.02912	12.7
85.06542	1.5
85.10188	9.2
89.06028	0.9
91.03942	7.6
91.05475	11.6
92.56672	0.8
93.07045	12.8
95.04961	12.8
95.08607	17.1
97.02895	6.5
97.06523	2.1
97.10174	11.1
99.04440	2.3
105.07024	6.6
107.04951	4.4
107.08572	8.5
109.02883	1.0
109.06508	1.0
109.10159	12.6
111.08064	1.9
117.07027	7.1
117.09081	0.8
119.08556	3.0
121.06484	3.1
121.10136	4.0
123.04375	0.9
123.08041	1.5
123.11732	2.2
125.09634	7.6
127.03891	2.9
129.07030	0.9
131.08553	5.2
133.10161	1.7
135.08043	1.8
135.11652	1.6
137.09610	0.9
141.07036	1.0
143.08568	0.8
145.04955	4.0
145.06468	1.1
145.10080	1.1
147.11784	1.1
149.09709	0.8
149.13234	2.5
153.96609	0.8
157.10045	0.9
159.11697	4.9
161.09604	1.4
163.06035	3.5
169.10036	1.2
173.11710	0.9
177.12755	3.2
187.11174	2.0
189.11215	4.9
205.12257	4.0
223.13289	32.8
227.12749	5.4
229.14311	3.0
233.32727	0.8
239.23637	2.6
239.28993	0.9
257.24719	1.0
279.15842	4.8
283.15469	1.2
297.16968	100.0
298.17371	2.6
313.27356	60.0
314.27698	2.1
467.37238	10.0
491.62515	1.1
507.39429	0.9
517.38708	1.2
535.39978	59.0
536.40173	3.5
553.40717	2.6
641.02521	1.0
828.21033	1.0
917.43768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.4
67.05505	2.1
69.03424	9.6
69.07072	2.0
71.01351	1.6
71.04992	35.7
71.61504	0.3
73.02917	5.1
74.67912	0.3
75.04475	1.5
79.05488	1.7
81.03421	2.6
81.07054	4.6
83.01323	0.4
83.04987	4.4
83.08614	0.9
83.77343	0.3
85.02902	66.0
87.04476	2.1
91.03964	0.5
91.05476	2.8
93.07042	4.3
95.04972	0.8
95.08605	7.5
97.02264	0.5
97.02895	10.1
97.06524	0.6
97.10162	0.5
97.72051	0.3
98.97574	0.6
99.04456	4.8
103.05499	0.4
105.07026	4.2
105.07671	0.4
107.08595	4.8
109.02879	1.2
109.06527	0.4
109.10149	5.8
111.04443	3.1
113.06000	0.5
115.03929	3.8
117.05496	1.8
117.06989	0.5
119.08576	5.0
121.10131	4.3
123.04412	0.4
123.11713	2.5
125.06007	0.5
127.03915	2.6
128.06197	0.4
129.05479	13.3
129.06874	1.4
131.08560	4.3
133.04959	0.5
133.10141	4.4
135.11694	4.9
135.12672	0.4
137.05971	0.6
137.13248	0.9
139.03889	1.1
141.07057	0.4
142.07841	0.4
143.08565	5.4
145.04967	2.8
145.10114	4.1
147.06512	3.3
147.07611	0.4
147.07979	0.3
147.11693	3.8
149.13263	6.1
153.05446	0.4
155.08603	0.8
157.05009	0.6
157.10132	3.9
158.99712	0.3
159.11668	2.3
160.50977	0.3
161.05983	0.4
161.13260	2.2
163.06065	0.8
163.14870	1.1
167.07060	0.9
168.09363	0.4
169.10085	0.5
170.10965	1.0
171.06561	0.8
171.11728	1.0
173.13307	0.7
175.07544	0.4
175.14832	0.8
177.09148	0.4
177.16490	0.4
181.04845	0.4
183.11665	1.8
184.12416	0.4
185.13255	30.8
186.13715	0.4
187.14827	10.2
189.16383	4.4
191.17960	4.3
195.11656	0.6
197.13272	1.4
199.14806	6.0
201.16335	3.0
203.14240	0.6
203.17963	4.6
205.19542	4.4
211.14825	0.6
213.16335	1.4
225.07635	1.3
225.16504	0.4
227.17981	0.6
229.12274	1.2
231.13800	22.2
232.14137	0.6
233.11668	0.4
233.15338	2.0
241.19644	0.4
243.08636	0.7
243.13835	0.8
245.15395	2.2
251.18085	0.4
253.19604	0.9
255.21072	0.5
257.15454	0.6
261.09833	0.6
265.19574	0.3
271.16925	0.3
279.10825	0.5
285.18549	0.3
291.21024	0.3
299.20163	0.5
389.32077	1.9
391.33737	1.3
407.33258	0.9
409.34631	0.3
433.31461	0.3
435.32599	14.0
436.32944	0.7
453.33725	2.7
585.38013	0.8
685.43225	0.8
687.43109	0.3
727.34296	0.3
731.43610	100.0
732.43866	5.1
893.44464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18006	0.6
65.71845	0.4
67.05497	3.4
69.03064	0.8
69.03426	12.5
69.07072	2.6
69.83155	0.9
69.83577	1.7
71.01352	1.8
71.04991	51.5
72.05330	0.5
72.18179	0.4
73.02912	4.6
75.04483	3.8
79.05474	2.3
81.03418	3.4
81.07053	7.8
83.04980	9.0
83.08604	1.0
85.02901	100.0
87.04469	2.8
90.07523	0.5
91.03970	0.8
91.05479	2.4
93.07042	5.6
95.04983	1.2
95.08604	10.0
97.02888	16.5
97.03505	1.0
97.10149	0.7
98.20734	0.5
99.04469	3.1
101.06049	0.4
103.03957	0.7
105.07027	4.9
107.08599	6.0
109.02887	2.3
109.10157	7.0
111.04450	7.0
115.03923	7.2
117.05505	1.2
117.06982	0.9
119.08587	5.2
121.10119	5.2
123.11718	3.2
127.03904	5.4
128.06213	0.9
129.05478	26.8
129.07031	2.0
131.08566	7.2
133.04938	2.4
133.10130	3.7
135.11694	4.6
137.13242	0.9
139.03926	1.4
141.07040	0.7
142.07800	0.9
143.08549	6.9
144.09286	0.5
145.04950	5.0
145.10103	5.1
147.06526	11.5
147.11687	4.6
149.13260	6.9
151.03951	0.6
151.14857	0.5
153.05473	0.6
155.08669	0.7
157.04984	0.7
157.10126	4.3
159.11673	2.9
161.13231	2.3
163.06081	1.1
163.14864	1.0
169.04977	0.7
169.10172	1.5
170.10913	1.9
171.06557	0.9
171.11710	1.5
173.13292	0.7
175.07687	0.6
175.14833	0.8
177.16408	0.6
181.05011	0.6
183.06558	0.5
183.11713	2.1
185.13255	36.9
187.14809	11.3
187.16403	0.7
189.16414	5.3
191.17955	4.2
195.11774	0.5
197.13297	1.3
199.06065	0.5
199.14816	7.7
201.16397	2.8
203.14357	0.6
203.17958	4.1
205.19508	4.5
207.17509	0.6
210.19272	0.4
211.14861	0.9
213.16440	0.9
215.18054	0.5
225.07631	3.3
225.16623	0.5
227.18051	0.9
229.12257	0.9
231.13791	25.2
233.15341	2.4
239.18022	1.3
241.19702	0.7
243.08722	1.9
243.13834	0.8
245.15317	2.8
247.16911	0.4
253.19601	0.5
255.08798	0.8
257.15399	1.0
259.08130	0.6
259.16876	0.7
261.09879	1.6
267.20996	0.5
273.09888	1.3
279.10736	2.6
285.09976	0.6
285.18430	2.7
297.18552	0.5
299.20096	1.0
309.11737	0.6
365.15405	1.4
389.32199	2.0
407.33286	1.7
409.34644	0.7
435.32593	30.5
436.33057	1.0
451.32251	0.8
453.33594	9.7
539.36963	0.5
598.81384	0.5
831.24298	0.5
893.48932	42.2
894.49445	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.2
67.05508	4.3
69.03058	1.1
69.03426	14.1
69.07073	5.7
69.27982	4.7
69.28400	1.2
71.01356	2.3
71.04994	58.5
73.02915	5.8
75.04484	3.8
79.05493	7.3
81.03420	3.0
81.07059	9.7
83.04989	10.6
83.08611	2.5
85.02906	100.0
87.04457	3.1
91.05480	7.9
93.07050	14.7
95.04964	2.2
95.08608	16.6
97.02895	17.9
97.06535	0.8
97.10191	1.2
99.04451	3.2
101.06013	1.0
103.03931	1.3
105.07034	15.0
107.04971	0.6
107.08600	23.5
109.02881	1.9
109.06534	1.0
109.10159	9.7
111.04455	8.1
111.08112	0.8
115.03923	7.2
115.05502	0.6
117.05537	0.6
117.07004	2.5
119.08582	23.4
121.10141	13.6
122.35464	0.5
123.11711	4.1
125.06005	1.3
125.09537	0.7
127.03905	4.4
128.06242	1.4
129.05484	26.6
129.06900	3.4
130.07773	0.8
131.08559	9.4
133.04982	2.4
133.10141	11.3
135.04358	0.7
135.11703	13.7
137.05902	0.9
137.13232	1.4
139.03943	1.9
139.07582	0.6
141.06960	1.4
142.07762	0.9
143.08571	9.2
144.09323	1.5
145.04962	5.4
145.10126	14.8
147.06532	14.4
147.11697	8.9
149.13275	5.0
151.07535	1.0
153.09122	1.3
153.12756	1.1
155.08543	4.0
156.09363	1.4
157.04922	0.6
157.10139	10.1
159.08025	1.2
159.11691	11.9
161.13268	9.1
163.06166	0.9
163.07567	4.2
163.14854	2.6
167.07210	0.5
167.08592	1.7
168.09354	1.1
169.04994	0.7
169.10146	7.3
170.10898	1.6
171.06619	1.3
171.11678	9.4
172.12386	0.8
173.13277	8.5
175.14835	8.7
177.16386	6.7
179.08551	0.9
179.14308	1.1
180.09448	1.0
181.10172	3.9
182.10963	1.9
183.11690	9.0
184.12450	1.3
185.13263	8.0
187.07545	1.7
187.14835	7.8
189.16374	5.9
191.10652	0.8
191.14282	0.9
191.17947	0.8
193.10240	1.4
195.11703	4.6
196.12503	1.9
197.13245	8.4
198.14084	0.9
199.14830	9.2
201.12737	0.8
201.16380	5.5
203.10683	0.9
203.17982	1.8
203.68982	0.6
206.10811	0.8
207.11739	2.1
208.12491	1.1
209.13220	5.6
210.13980	0.8
211.14818	12.0
213.16393	7.8
215.17972	2.0
217.12242	1.3
219.11772	0.8
219.13823	1.5
221.13263	2.0
222.14099	1.0
223.14810	5.2
224.15585	0.7
225.07579	4.4
225.16383	4.8
227.10732	1.0
227.18001	3.1
229.12251	1.5
229.15938	1.0
231.13742	0.9
235.14832	1.9
236.15596	0.9
237.16444	4.2
238.17140	1.0
239.14368	1.5
239.17944	3.3
241.07123	0.8
241.19536	1.8
243.08675	3.2
243.13870	2.4
245.15417	3.6
247.14835	1.1
247.17068	1.3
249.16415	1.6
251.17941	6.1
253.19505	21.9
255.08672	0.8
255.13902	0.9
255.21104	1.6
257.15381	22.6
259.17001	1.5
261.09692	1.5
261.16269	1.6
263.18048	1.9
265.19485	4.7
267.21179	1.8
269.15558	1.4
271.16959	3.4
273.09656	0.8
273.18567	0.9
275.17950	1.5
277.19586	2.0
279.10791	1.7
279.21149	1.9
281.19052	0.8
281.22656	2.0
283.16949	4.1
283.24353	0.7
285.18503	2.0
291.21112	1.7
295.16943	0.9
297.18503	6.8
299.20065	12.3
305.22729	1.1
308.17621	0.7
309.11862	0.9
309.18509	0.9
309.21878	0.7
311.20035	4.4
317.22763	1.6
321.18607	1.1
323.20108	0.8
325.21780	1.6
331.24124	2.0
333.25787	0.7
337.21664	2.0
345.25906	1.7
349.21512	1.2
349.25378	0.9
351.23135	2.5
363.22998	1.5
373.28973	1.5
375.23251	1.3
377.24725	3.5
387.30521	8.5
388.31091	0.7
389.31863	2.8
390.25601	1.8
391.26273	1.4
395.25803	1.7
405.31567	12.0
407.33063	1.8
418.28613	1.2
433.31027	62.8
434.31360	1.9
451.32077	75.4
452.32471	2.5
776.66608	0.7
891.47260	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	891.473
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22117	0.4
65.03936	0.9
67.05508	4.6
69.03431	13.1
69.07068	5.5
69.15777	0.4
71.01365	1.9
71.04992	57.8
71.60962	0.7
71.79459	0.4
73.02914	5.1
75.04485	3.3
77.78986	0.4
79.05489	7.1
81.03413	3.3
81.07056	11.6
81.07504	0.9
83.01371	0.4
83.04981	10.8
83.08614	3.6
85.02902	100.0
85.06564	0.5
86.61612	0.4
87.04447	2.6
89.78484	0.4
91.03972	0.5
91.05470	7.6
93.06455	0.8
93.07040	14.3
95.04949	2.2
95.08604	15.5
97.02891	17.5
97.06544	1.4
97.10160	1.2
99.04437	3.0
103.03979	0.7
103.05488	0.6
105.04607	0.4
105.07027	14.0
107.08590	20.0
109.02879	2.5
109.06515	0.7
109.10159	8.3
111.04436	7.4
111.08099	0.7
111.11741	0.4
113.02418	0.6
113.06024	0.6
115.03923	9.7
115.04722	0.7
115.05445	0.7
117.05492	0.7
117.07022	2.0
119.08573	22.3
121.10139	14.3
123.04465	0.5
123.11716	3.9
125.06021	0.7
127.03903	5.6
127.11033	0.4
128.06245	1.4
129.05478	29.6
129.07033	2.4
130.07726	0.7
131.08563	9.0
131.09503	0.8
133.04976	2.6
133.10123	10.8
133.11052	0.8
134.10603	0.4
135.04422	0.7
135.11693	12.7
137.05917	0.4
137.13264	1.1
139.03854	2.6
139.07500	0.4
141.07013	1.4
142.07800	2.2
143.08553	9.0
144.09380	1.0
145.04941	4.8
145.10121	12.1
147.06519	12.4
147.11684	7.4
149.05994	0.5
149.13274	4.6
151.07605	0.7
151.14809	0.5
153.05553	0.7
153.06989	0.5
153.09103	1.0
153.12816	1.2
154.07817	0.4
155.08557	4.1
156.09364	1.7
157.10124	9.2
158.10880	0.9
159.08058	1.0
159.11685	12.6
161.09731	0.7
161.13261	6.7
161.50223	0.4
163.06042	1.2
163.07578	3.8
163.14857	2.0
165.05537	0.5
165.07516	0.5
165.09044	0.5
165.12729	0.8
167.08568	1.5
168.09363	1.1
169.05002	0.6
169.10124	7.3
170.10870	1.2
171.06496	0.7
171.11678	9.5
172.08611	0.4
173.13249	9.3
175.07492	0.4
175.14819	8.1
177.09091	0.9
177.16351	5.9
179.07202	0.5
179.08652	1.0
179.14264	1.0
180.09351	0.5
181.10095	3.0
182.10913	2.1
183.11691	10.4
184.12598	1.2
185.09665	0.8
185.13255	6.7
187.07599	1.8
187.14804	7.8
189.09071	0.7
189.16348	6.1
191.10719	0.7
191.14275	0.5
191.17926	0.7
192.09096	0.5
193.05038	0.5
193.10123	1.1
193.15935	0.5
194.10886	0.5
195.11671	4.7
196.12411	2.0
197.13266	7.7
198.14114	0.6
199.06015	0.6
199.14801	9.5
199.16537	0.6
201.09103	0.8
201.16371	5.3
203.10693	0.9
203.17981	1.8
207.11748	2.0
208.12526	0.9
209.13229	5.2
210.14082	1.3
211.14818	12.3
212.15508	0.8
213.09196	0.7
213.13087	0.4
213.16386	7.6
215.10785	1.1
215.17943	1.6
217.12221	1.0
219.11810	0.7
219.13837	1.3
221.13293	2.6
222.14006	0.9
223.06099	0.6
223.11414	0.5
223.14873	4.4
225.07573	4.0
225.12822	0.7
225.16359	5.2
227.10748	0.7
227.17955	2.3
229.12260	1.2
229.15947	1.4
229.19481	0.5
231.11618	0.5
231.13800	1.2
231.17439	0.5
233.13257	0.8
235.14827	2.2
236.15733	1.0
237.16348	4.1
238.17189	0.9
239.14360	1.0
239.17960	2.4
241.07057	0.5
241.12244	0.6
241.19569	1.7
243.08630	3.0
243.10942	0.4
243.13737	2.0
245.15387	3.6
247.14767	0.8
247.17014	1.0
249.16394	1.7
250.16959	0.7
251.17924	6.7
252.18593	0.4
253.19507	20.0
255.08534	1.0
255.13846	0.5
255.21130	1.4
257.15369	22.9
259.08096	1.0
259.17065	2.2
261.09607	2.0
261.16443	0.7
263.17920	2.6
265.19519	4.3
267.21002	2.3
269.15533	1.3
271.16989	3.2
271.20508	0.7
273.09760	1.1
273.18726	1.1
275.17978	1.2
277.19562	1.4
279.10651	2.9
279.18066	0.5
279.21121	2.1
281.22739	1.1
283.16962	3.1
283.19772	0.5
285.18533	1.3
289.19614	0.9
291.21094	1.0
293.22476	0.9
295.16940	1.1
297.18466	8.9
298.19162	0.7
299.20050	14.1
303.20956	0.8
305.22580	1.0
309.11774	1.2
309.18478	0.5
311.20016	4.0
317.22830	1.1
319.24258	0.9
321.18619	0.6
323.20102	0.9
325.21692	1.8
329.22537	0.6
331.24063	2.0
333.25674	0.9
335.19913	0.5
337.21695	1.1
345.25833	1.3
349.21802	0.7
349.25211	0.9
349.72116	0.4
351.23032	2.1
357.25699	0.6
363.23026	2.0
364.24298	0.5
365.24771	0.6
373.28836	1.3
375.23398	0.6
377.24686	2.9
387.30472	8.9
389.32153	3.0
390.25555	1.5
391.26324	1.5
395.25848	2.4
405.31552	11.4
407.33206	1.3
418.28580	1.4
423.32831	0.7
433.31021	69.2
434.31339	1.7
451.32068	77.9
452.32440	2.8
583.35736	0.7
824.64502	0.4
891.47369	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	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25880	0.3
64.63791	0.3
67.05503	2.4
69.03432	3.7
69.07061	1.0
71.01363	0.9
71.04984	0.6
71.08625	2.0
71.61399	0.5
73.02920	4.4
79.05500	1.5
81.03421	2.5
81.07063	2.6
83.04994	1.0
83.08628	1.5
85.02904	8.0
85.10196	1.4
91.03959	5.0
91.05496	1.8
92.05820	0.3
93.07066	1.3
95.04986	0.4
95.08619	2.5
97.02892	7.3
97.10193	0.4
99.04483	1.0
99.11771	0.3
99.64348	0.3
101.02383	2.1
103.03916	0.4
105.07050	0.9
107.04992	0.4
109.02920	0.9
109.06475	0.4
109.10182	1.0
111.08076	0.4
115.03984	0.8
119.08589	0.8
121.10167	0.4
123.11720	0.5
127.03924	2.7
131.08554	0.7
133.10124	0.6
145.04916	0.5
145.10112	0.3
147.11696	0.7
148.25136	0.3
156.55780	0.3
157.10162	0.4
176.83083	0.3
185.04291	0.8
185.26381	0.3
193.12352	0.7
203.05409	1.0
229.90105	0.3
239.20757	0.3
239.23747	0.4
243.08495	1.8
251.12585	0.8
267.15997	1.0
268.16290	0.4
285.72449	0.3
293.47705	0.3
313.27335	1.9
335.25833	0.4
347.09586	2.1
365.10696	1.0
405.13733	6.4
469.20563	4.4
497.30875	6.4
518.98895	0.4
528.37994	1.1
631.25732	3.5
659.36072	7.8
725.44928	1.7
887.49738	100.0
888.50012	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	891.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.5
67.05498	2.8
68.72813	0.3
69.03062	0.7
69.03429	11.8
69.07063	3.1
69.63829	0.9
69.64240	1.5
71.01363	1.3
71.04993	39.0
73.02915	3.1
75.04491	2.1
79.05476	2.3
79.52856	0.4
81.03423	2.4
81.07053	6.1
83.04981	5.9
83.08620	1.1
85.02904	68.6
87.04478	2.4
91.05486	2.9
93.07043	5.8
94.76104	0.4
95.04954	0.8
95.08605	8.8
96.25381	0.3
97.02895	11.3
97.06560	0.5
97.10162	0.6
98.20693	0.7
101.06033	0.6
103.03867	0.4
105.07032	6.9
105.83678	0.4
107.08597	8.7
109.02884	2.2
109.06521	0.6
109.10147	5.7
111.04443	5.0
113.63301	0.4
115.03921	4.4
117.05484	0.4
117.07080	0.7
119.08583	9.1
119.09435	0.5
121.10142	6.0
123.11703	2.6
127.03909	4.1
128.06219	1.9
129.05482	14.4
129.06917	1.9
131.08571	5.8
132.71434	0.4
133.04938	0.9
133.10127	4.7
135.11682	5.3
137.13297	1.0
139.03905	1.1
141.06999	0.9
142.07767	2.2
143.08560	9.6
143.09668	0.5
145.04968	3.2
145.10121	4.4
147.06528	5.0
147.11685	4.2
149.13252	4.1
153.05537	0.4
153.07030	0.7
154.07721	0.5
155.08557	4.5
156.09383	1.5
157.10117	7.0
159.11670	3.6
159.91571	0.4
161.13223	2.4
163.06053	1.1
163.07558	0.4
163.14874	0.9
165.07031	0.4
165.12836	0.5
167.08592	1.4
168.09354	5.9
169.10124	5.0
170.10912	1.7
171.06645	0.6
171.11687	1.9
173.13283	1.7
175.14818	1.8
177.16415	1.5
181.10165	1.6
182.10944	1.6
183.11687	19.5
184.12491	2.6
185.09743	0.6
185.13254	21.2
186.13867	0.4
187.07512	0.4
187.14812	5.6
189.16437	2.8
191.18031	1.2
193.10211	0.5
195.11726	1.8
197.13257	8.5
197.14954	0.6
199.14816	5.8
201.12799	1.6
201.16428	1.9
203.14140	0.4
203.17950	2.7
205.19588	1.0
207.11755	0.8
207.17375	0.6
209.13213	2.3
210.14009	0.5
211.14821	2.2
213.16457	1.3
215.14383	0.8
215.18211	0.5
221.13336	0.8
223.14915	1.4
225.07632	1.5
225.12799	0.4
225.16443	1.5
227.10706	0.5
227.17932	0.8
229.12224	5.9
231.13823	3.4
235.14693	0.6
237.16432	1.8
239.18027	0.6
241.19446	0.5
243.08763	1.2
243.13788	2.4
245.15344	0.8
249.16452	1.0
251.18015	1.7
253.19485	3.6
257.15353	4.5
259.16949	0.7
261.09576	0.5
265.19638	1.3
267.21146	0.4
271.17056	0.5
273.18738	0.4
275.37610	0.3
277.19434	0.6
279.10870	1.0
283.16815	0.9
285.18369	0.7
297.18607	1.6
299.20004	2.3
309.12042	0.5
311.20053	0.8
377.24884	0.6
387.30643	1.6
389.32059	2.3
395.25528	0.4
405.31631	2.1
407.33047	3.0
418.28857	0.4
433.31033	15.3
434.31104	0.5
451.32056	16.5
452.32104	0.7
455.01071	0.4
539.37463	0.4
576.09192	0.5
592.65295	0.5
891.47327	100.0
892.47583	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	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48651	0.4
67.05505	1.1
68.90392	0.4
69.03432	3.4
69.07081	0.7
69.89159	1.8
71.08633	3.1
73.02918	4.5
78.34601	0.3
79.05490	1.0
81.03430	2.8
81.07054	1.9
83.08638	1.3
85.02908	6.7
85.10201	1.0
91.03951	4.3
91.05498	0.5
92.98687	0.4
93.07064	0.9
95.08595	2.2
96.49176	0.4
97.02893	6.6
99.04482	1.1
101.02394	1.4
103.03969	0.5
109.02916	0.8
109.10184	1.0
115.03946	0.7
123.11755	0.5
127.03910	1.8
131.02292	0.4
132.37143	0.4
135.11742	1.2
145.04979	0.4
145.10162	0.6
163.11258	1.2
172.20602	0.4
185.04182	0.8
193.12381	0.4
203.05363	0.5
243.08559	1.5
249.11153	1.5
305.13654	0.7
313.27441	0.8
314.27722	0.6
347.09378	2.8
365.10779	1.2
405.13702	4.8
444.26859	0.4
458.48560	0.4
467.18961	5.6
497.30917	5.1
523.38770	0.5
524.40375	0.7
525.40826	0.7
526.41425	0.5
535.53290	0.4
537.97363	0.4
584.87299	0.4
629.24402	3.6
630.62476	0.4
659.36011	5.9
672.82800	0.4
723.42712	2.0
777.44403	0.4
885.48151	100.0
886.48358	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	887.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67197	0.2
67.05503	1.2
69.03430	3.1
69.07085	0.7
71.01356	0.3
71.04993	0.4
71.08630	1.3
73.02922	3.5
79.05505	0.8
81.03006	0.4
81.03426	2.6
81.07056	2.1
83.04960	0.4
83.08626	1.2
85.02901	7.4
85.10194	0.6
87.04465	0.5
91.03957	3.7
91.05492	1.1
93.07051	0.7
93.56181	0.2
95.04968	0.5
95.08602	1.6
97.02895	6.0
99.04471	0.9
101.02386	1.9
103.03936	0.5
105.07044	0.9
107.04969	0.3
107.08572	0.3
109.02903	1.0
109.10184	0.9
111.08076	0.3
115.03962	0.5
119.08616	0.7
121.10197	0.5
127.03919	2.2
129.07047	0.4
131.08653	0.3
133.10135	0.5
145.05002	0.3
147.11742	0.6
147.28575	0.3
148.51030	0.3
157.10214	0.7
165.12921	0.4
175.11285	0.3
185.04257	0.8
188.24236	0.3
193.12306	0.9
203.05310	1.0
211.13258	0.3
233.32440	0.3
239.23732	0.3
243.08440	1.8
251.12645	0.8
286.82562	0.3
307.15405	0.5
313.27551	0.8
347.09467	2.6
363.08920	0.4
365.10852	0.8
405.13614	5.8
411.90530	0.3
469.20468	9.1
497.30811	5.1
631.25684	7.0
659.36121	3.9
725.44458	1.7
887.49731	100.0
888.49744	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	883.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94997	0.4
67.05506	2.0
69.03435	3.8
69.07071	0.9
71.05015	0.5
71.08627	1.6
71.61807	0.6
73.02917	3.9
78.33410	0.4
79.05503	1.7
81.03426	2.3
81.07063	3.3
83.08653	0.7
83.62463	0.4
85.02907	5.3
85.10187	0.7
87.04482	0.7
91.03947	3.5
91.05485	1.7
93.07055	1.6
95.04992	1.1
95.08607	2.3
97.02893	5.2
97.06534	0.5
99.04442	1.0
101.02400	2.0
105.07044	1.8
107.04943	0.6
107.08619	0.5
109.10212	0.7
119.08574	0.7
127.03921	1.8
129.07108	0.7
147.11729	1.1
165.20016	0.4
171.11755	0.6
185.04233	0.7
192.76480	0.4
195.14948	0.5
203.05341	0.7
203.99666	0.4
243.08470	1.6
247.13158	0.8
265.59259	0.6
303.15607	0.7
313.27658	0.7
330.58698	0.4
347.09317	2.1
365.10535	0.9
405.13745	5.4
421.13470	0.5
465.21002	8.7
497.30865	4.7
579.07220	0.5
627.26398	6.8
659.36084	3.9
721.45319	1.8
883.50256	100.0
884.50397	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	885.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.3
68.35954	0.4
69.03429	3.0
69.14220	0.3
69.63146	1.3
69.63552	0.9
71.01353	0.4
71.05019	0.4
71.08633	0.8
73.02916	4.2
79.05486	0.8
81.03413	1.6
81.07050	1.2
83.01357	0.4
83.04976	0.5
83.08644	0.9
85.02901	5.6
85.10190	0.8
91.03969	3.7
93.07023	0.7
95.08615	1.1
97.02892	5.7
97.10165	0.4
98.08147	0.4
99.04464	1.2
101.02381	1.8
105.07065	0.5
107.08577	0.8
109.02890	0.7
109.06504	0.4
109.10146	0.4
115.16001	0.3
127.03920	1.7
131.08565	0.4
134.77901	0.4
135.11725	0.5
145.04942	0.6
145.10168	0.5
163.11200	1.0
181.12399	0.4
185.04169	0.8
203.05321	0.7
243.08362	2.3
249.10913	0.4
286.15945	0.4
313.27509	1.0
347.09491	2.4
365.10840	1.0
405.13721	5.1
467.18924	7.0
497.30939	3.3
600.10492	0.4
629.24109	6.3
659.36273	3.5
687.44739	0.4
723.43262	1.4
885.48132	100.0
886.48419	7.5
886.65466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
67.05505	16.0
69.03431	3.3
69.06709	0.4
69.07066	6.6
69.07440	0.4
71.01335	0.4
71.04989	2.0
71.08631	16.1
71.36093	0.5
73.02922	3.5
77.03938	0.3
79.05492	12.2
81.03417	35.2
81.07055	21.0
83.04977	8.4
83.05354	0.2
83.08620	19.8
83.11769	0.2
85.02904	23.5
85.06545	1.5
85.10184	9.5
87.04452	0.9
89.06016	1.3
90.43057	0.2
91.03955	6.6
91.05478	17.2
93.07044	9.0
95.04342	0.5
95.04967	14.5
95.08608	15.8
97.02892	6.9
97.06529	2.1
97.10166	4.8
99.04437	0.7
99.08087	1.0
99.11728	0.6
101.05996	0.4
103.05517	0.3
103.07571	0.8
105.04533	0.3
105.07028	11.5
107.04942	3.4
107.08595	3.8
109.02885	0.5
109.06509	2.9
109.10153	6.7
111.04442	1.7
111.08086	6.4
111.11728	0.7
113.06007	1.7
115.03932	0.4
115.05435	0.7
117.07021	0.8
117.09174	0.3
119.08578	9.5
121.06518	0.9
121.10142	5.3
123.08110	1.4
123.11700	3.6
125.09631	1.2
125.13240	0.4
127.03912	2.2
127.07574	0.4
129.07002	6.5
131.08571	6.0
133.06528	1.5
133.10132	5.9
135.11722	0.5
137.09636	0.9
137.13258	1.1
142.07809	1.7
145.04951	2.9
145.10117	1.1
147.08051	1.9
147.11685	9.7
149.09610	3.7
152.52299	0.3
155.08401	0.3
157.10123	10.2
163.06023	3.3
163.11150	0.9
165.12764	2.1
175.11185	10.5
193.12239	30.2
194.12569	0.4
211.13287	45.0
212.13640	1.0
221.22673	0.3
239.23727	1.7
249.14842	0.6
257.24658	1.6
267.13016	0.5
267.15900	16.9
285.16959	62.4
286.17224	1.4
313.27356	63.3
314.27740	1.5
335.26385	0.3
505.38892	14.8
506.39270	0.6
523.39935	100.0
524.40302	4.4
667.43256	0.4
848.24969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	0.9
67.05505	15.1
69.03429	2.4
69.07071	6.8
69.51036	1.3
69.51462	1.2
71.04986	2.1
71.08632	17.7
73.02921	1.8
77.26173	0.4
79.05490	10.1
81.03416	27.9
81.07054	17.7
83.04552	0.5
83.04977	6.5
83.08615	14.9
85.02903	17.8
85.06498	1.1
85.10181	10.6
87.04435	1.1
89.05983	1.0
91.03477	0.4
91.03954	4.5
91.05479	13.5
93.07041	6.8
95.04972	11.0
95.08605	15.6
97.02895	5.3
97.06520	1.5
97.09618	0.4
97.10172	4.8
97.52458	0.3
99.04406	0.9
99.08070	0.7
99.11628	0.6
101.05975	0.4
103.07525	0.9
105.07027	11.1
107.04966	2.6
107.08588	3.1
108.54508	0.3
109.02862	0.5
109.06517	2.0
109.10156	7.3
111.04439	0.8
111.08064	3.5
111.11697	0.6
113.05983	1.4
115.05432	0.9
117.07028	0.6
119.04903	0.3
119.08572	8.7
121.06449	1.1
121.09309	0.4
121.10131	4.2
123.08031	1.0
123.11717	3.4
125.09668	0.4
125.13258	0.6
127.03880	1.5
127.07561	0.4
128.06206	0.3
129.06998	4.9
131.08563	5.8
133.06444	1.3
133.10115	5.4
137.09624	0.7
137.13249	0.8
142.07719	1.4
145.04955	1.7
145.10101	0.6
147.08028	1.1
147.11681	7.6
149.09599	2.5
157.10120	5.7
163.05974	2.1
165.12720	1.4
175.11177	7.1
193.12241	19.6
211.13292	25.0
239.23573	1.6
249.14894	0.5
257.24762	1.5
267.15903	12.5
285.16953	32.9
286.17441	0.7
313.27353	68.2
314.27713	1.4
356.15042	0.4
404.20633	0.3
505.38879	17.2
506.39496	0.7
523.39935	100.0
524.40228	3.8
767.69208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.7
65.03921	0.7
66.36231	0.4
67.05509	9.8
69.03398	1.6
69.07075	6.8
69.45335	1.1
69.45746	2.9
71.01333	0.8
71.04962	1.9
71.08633	17.8
73.02921	3.8
79.05496	9.0
81.03413	6.5
81.07058	15.9
83.01336	4.6
83.04980	5.3
83.08622	11.1
85.02426	0.7
85.02908	12.2
85.06491	1.4
85.09715	0.7
85.10184	11.4
89.05993	1.1
91.03953	6.8
91.05494	5.6
93.06470	0.7
93.07046	14.7
95.04978	3.2
95.08607	17.9
97.02897	7.1
97.06529	3.4
97.10160	3.7
99.04436	2.1
99.11697	0.7
103.07558	0.8
105.07027	4.8
106.12316	0.5
107.04959	4.7
107.08597	7.8
109.02863	1.0
109.06511	3.7
109.09561	0.6
109.10160	7.0
111.04418	1.4
111.08051	1.3
111.11700	0.6
117.07021	3.9
118.14886	0.5
119.08587	5.1
121.06482	2.6
121.10161	4.4
123.08054	4.6
123.11689	2.7
125.05974	1.2
125.09600	0.7
127.03922	3.0
130.07785	1.1
131.08519	1.5
133.10088	1.2
135.08037	1.2
135.11688	11.3
137.09586	1.2
137.13181	1.3
145.04976	3.3
145.05917	0.5
145.10121	10.4
145.11240	0.7
147.08064	0.9
153.12724	1.5
155.08571	0.9
163.06015	2.6
163.11192	19.8
173.09624	1.7
181.12233	2.2
191.10638	1.7
204.72064	0.5
209.11749	3.6
227.12791	8.6
239.23689	1.9
241.99988	0.5
257.24680	1.9
278.46841	0.5
283.15402	88.1
284.15747	2.6
309.83954	0.6
313.27362	94.6
314.27631	3.4
318.50156	0.6
513.97260	0.5
521.38385	100.0
522.38696	4.6
580.83301	0.6
587.65814	0.6
725.64783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.3
65.03934	1.1
67.05169	1.2
67.05506	22.9
67.48296	1.0
69.07073	7.6
71.04992	1.1
71.08281	0.9
71.08637	11.6
71.62429	0.9
79.05059	1.6
79.05497	28.3
81.03411	3.0
81.07057	18.4
83.04985	5.1
83.08621	6.6
85.02908	2.3
85.06561	1.7
85.10198	7.1
85.69393	0.9
91.05479	19.6
93.06464	1.5
93.07047	29.4
95.04974	6.7
95.08608	17.1
97.02876	1.4
97.06502	1.1
97.10152	3.0
100.64536	0.9
105.07035	16.4
107.04906	3.2
107.08582	7.5
109.06523	2.7
109.10191	5.5
117.07065	4.4
119.08590	9.7
121.10137	1.1
123.08067	2.3
123.09377	1.0
123.11697	1.9
128.06215	1.5
129.07030	5.8
131.08575	1.8
133.10124	4.0
135.11707	0.9
143.08537	2.7
145.10130	3.5
147.11703	14.1
159.58028	0.9
161.09673	2.5
161.13268	5.1
163.06065	1.2
171.11702	9.8
189.12688	5.0
207.13805	15.3
281.17493	48.0
313.27380	36.6
314.27771	1.1
519.40479	100.0
520.40698	4.3
568.77209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.3
65.03888	0.3
67.05505	10.1
69.03439	2.0
69.07069	5.7
70.17017	1.4
71.01326	0.6
71.04978	1.8
71.08630	14.8
73.02916	3.2
75.04440	0.3
79.05493	9.7
81.03414	5.9
81.07057	14.5
83.01340	4.8
83.04983	5.4
83.08617	9.8
85.02902	11.9
85.06519	0.7
85.10182	9.1
87.04421	0.6
89.05980	1.1
91.03955	7.4
91.04971	0.6
91.05479	6.4
93.07049	12.8
95.04968	3.4
95.08607	14.2
96.04443	0.5
97.02287	0.3
97.02895	6.8
97.06529	2.6
97.10177	2.9
99.04447	2.2
99.11734	0.4
102.21662	0.3
103.07552	0.8
105.07030	4.6
107.04968	4.2
107.08594	5.6
109.02781	0.5
109.06518	3.4
109.09460	0.4
109.10160	5.8
111.04408	1.4
111.08031	0.9
111.11677	0.9
115.03905	0.6
117.07006	3.7
119.08583	4.3
121.06512	1.6
121.10142	5.1
123.08057	5.1
123.11718	2.2
125.05981	0.9
125.09593	0.9
127.03922	3.0
129.06976	0.6
130.07729	0.7
131.08585	1.9
133.10085	1.1
135.08018	1.2
135.11702	6.9
137.09583	0.9
137.13222	0.8
139.07520	0.5
143.08508	0.4
145.04970	3.2
145.06067	0.4
145.06432	0.3
145.09024	0.5
145.10135	9.1
147.08003	1.0
153.12761	1.5
155.08571	0.5
163.06023	3.9
163.11183	14.1
165.16321	0.5
173.09595	2.3
181.12228	1.8
191.01105	0.3
191.10678	1.7
199.89877	0.3
209.11717	4.7
227.12766	2.5
239.23782	1.5
257.24612	1.6
283.15396	100.0
284.15680	2.0
313.27362	71.4
314.27615	1.9
341.65512	0.4
521.38385	50.6
522.38831	2.2
684.87189	0.4
736.01044	0.3
771.77655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	3.1
67.05488	3.3
69.03432	11.3
70.78430	2.0
70.78771	3.0
71.01356	2.4
71.04996	51.9
73.02918	8.7
75.04465	6.1
79.05489	2.9
81.03400	4.6
81.07048	5.0
83.04982	18.0
85.02908	100.0
86.04649	1.3
86.09714	1.7
87.04466	2.9
89.40062	1.2
91.05454	2.4
93.07075	1.6
95.04985	2.6
95.08604	5.1
97.02347	2.4
97.02894	19.7
97.06515	2.1
99.04433	2.8
103.03928	2.0
105.07001	2.2
107.08586	2.0
109.10163	3.8
111.04449	13.8
115.03931	16.6
127.03896	6.1
129.05487	36.8
133.04979	3.3
137.13290	1.5
139.03957	1.9
145.04955	4.0
145.10112	18.7
147.06534	22.2
159.11670	2.5
171.06514	1.8
171.11696	6.9
185.13174	1.5
199.14755	3.7
209.13306	3.4
212.65854	1.4
225.07581	6.2
225.59341	1.4
243.08635	8.6
251.17796	1.5
260.30606	1.4
273.09671	1.4
279.10828	10.8
309.11740	4.0
313.27399	1.9
389.32184	11.4
505.39111	2.2
597.38593	1.3
864.50330	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	861.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.4
67.05508	5.9
69.03439	3.3
69.07070	1.9
70.72681	0.8
70.73016	0.7
71.05005	2.0
73.02920	3.5
79.05497	4.1
81.03423	1.8
81.07056	5.7
83.08620	0.9
85.02905	5.5
91.03953	3.4
91.05496	2.7
93.07048	4.5
95.08607	3.2
97.02899	5.2
97.06555	0.8
97.10176	0.4
99.04485	0.5
101.02388	2.0
105.07054	1.7
106.44386	0.4
107.08601	2.4
109.02892	1.0
109.06567	0.5
109.10174	2.0
110.76102	0.4
115.03935	0.5
117.07011	1.0
119.08621	1.4
121.10168	1.4
123.08119	0.5
125.09705	0.5
125.69165	0.4
127.03959	1.4
131.08611	1.2
133.10147	0.9
135.11737	1.1
137.76683	0.5
145.10165	0.7
147.11758	0.8
149.13272	0.6
159.11717	0.5
171.41640	0.3
185.04294	1.0
243.08478	1.8
301.09070	0.4
365.23016	3.4
398.22067	0.5
421.25674	0.5
519.29401	5.4
583.30963	4.8
591.31958	0.5
662.56439	0.5
717.41718	0.8
861.53363	100.0
862.53619	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	863.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.8
61.11937	0.9
67.05521	4.6
69.03434	3.2
69.07063	2.0
71.62319	1.1
73.02929	3.3
76.22086	0.7
79.05492	4.2
81.03433	0.8
81.07048	4.8
83.08654	1.6
85.02916	3.7
86.09740	2.0
91.03970	2.7
91.05466	4.4
93.07037	5.0
94.68851	0.8
95.08611	3.0
97.02895	2.4
101.02383	1.9
105.07049	3.0
107.08615	3.4
109.10171	1.4
111.04543	0.8
119.08568	1.7
121.10182	0.9
127.03917	1.3
131.08586	1.4
133.10164	2.5
147.11696	1.8
161.13356	1.2
162.26155	0.8
184.07295	4.9
239.12167	0.9
243.08479	2.3
301.09055	1.9
315.10400	1.1
351.21603	2.8
411.18286	0.9
465.21234	1.0
534.92065	0.9
535.28729	6.7
542.60632	0.9
559.26886	0.9
569.29272	7.4
641.31116	1.5
780.80768	0.9
837.11194	1.0
863.51215	100.0
864.52118	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	861.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.4
67.05500	9.1
69.03418	7.2
69.07059	1.9
73.02926	6.0
79.05489	6.9
81.03410	2.1
81.07053	6.8
81.20479	1.2
83.08624	1.5
85.02898	9.0
91.03968	4.8
91.05497	3.1
93.07053	7.6
95.05008	1.7
95.08622	4.7
97.02899	7.4
98.11474	1.4
98.21494	3.8
101.02398	3.4
102.75033	1.2
103.03928	1.3
105.07060	3.3
107.08622	3.1
109.02873	2.6
109.10151	2.2
113.39574	1.1
113.48103	1.2
119.08568	1.4
121.10131	2.7
127.03943	3.4
129.05511	1.1
131.08553	1.3
133.10129	1.9
135.11728	1.2
145.10106	1.3
159.11620	1.4
184.07410	4.0
185.04242	5.4
201.03708	1.8
243.08501	5.0
247.41676	1.1
296.83319	1.0
301.08893	7.6
315.10605	1.9
319.15063	1.8
355.13562	1.5
371.16565	1.2
373.11099	4.1
385.18509	4.9
387.12955	1.6
469.20682	2.1
481.20511	1.6
483.22006	1.5
483.34290	1.8
493.60358	1.2
509.23886	3.3
519.29248	17.2
520.30365	1.2
529.35510	1.5
578.30493	6.5
583.27081	1.2
591.30927	2.9
661.39294	2.0
662.40149	6.0
679.40326	1.9
691.39862	8.8
717.40912	1.6
719.40375	1.2
721.42743	1.7
735.42755	4.0
747.43365	2.1
759.42688	24.2
773.44141	3.8
815.45374	21.0
843.48242	3.2
861.49158	100.0
862.49213	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	856.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.8
63.64586	1.6
65.03936	4.6
67.05506	100.0
68.35293	1.5
69.03420	3.6
69.07069	27.0
71.00192	2.2
71.00549	3.3
71.04986	10.8
73.02869	1.6
73.70413	1.4
75.90931	1.6
77.03927	1.6
79.05495	70.0
81.03429	12.1
81.07059	89.8
83.04967	7.1
83.08632	14.9
85.02900	5.0
85.06544	2.9
85.33776	1.4
88.59197	1.6
91.05482	53.6
93.07049	75.2
95.04975	11.5
95.08611	55.2
97.02901	3.6
97.06538	11.7
97.10165	7.3
99.08111	1.5
103.05466	2.2
105.07029	33.8
107.04947	5.7
107.08599	39.2
109.06516	6.9
109.10167	31.9
111.08076	3.7
115.05452	1.7
117.07033	16.1
119.08582	26.4
121.06522	3.9
121.10151	30.1
123.08067	3.0
123.11714	6.1
125.09663	4.5
127.03961	1.8
129.05453	2.6
129.07002	6.6
131.08577	22.8
132.31213	1.5
133.10129	21.6
135.08060	3.2
135.11719	14.5
136.41600	1.6
137.09607	3.1
139.11165	2.3
143.08551	5.2
145.10138	18.9
147.08038	1.6
147.11684	13.5
149.09621	7.7
149.13295	9.3
151.11203	2.1
155.08566	1.7
156.09308	1.4
157.10135	6.3
159.08072	1.7
159.11699	14.1
161.09685	2.5
161.13304	5.8
163.11110	3.1
163.14865	2.9
165.12758	2.7
169.10121	4.3
171.11696	3.8
173.11746	4.1
173.13252	7.8
175.11214	1.6
175.14772	3.7
177.12755	3.1
179.14299	1.7
187.14832	3.7
195.13828	4.1
201.16441	3.4
203.14502	1.8
207.76137	1.6
213.16368	1.8
217.15912	2.3
219.17349	2.1
227.12740	3.7
229.14325	18.0
239.18135	2.7
243.21135	2.8
257.18967	5.6
261.15155	1.9
261.22241	8.8
267.15863	1.8
269.17438	12.0
275.20105	18.3
291.19531	3.4
293.21188	2.1
302.51929	1.6
309.20642	3.3
317.25110	1.8
333.24414	2.7
335.25809	75.1
339.17953	2.4
349.23676	17.7
361.69815	1.8
381.26428	3.6
413.21704	5.0
430.56778	1.8
453.24634	4.6
489.35742	15.0
529.38892	67.9
530.39258	3.0
569.42072	39.3
609.45154	24.2
609.65515	1.6
627.45892	4.4
641.47308	8.3
673.42749	6.0
702.27954	1.7
713.46051	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	861.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.6
67.05515	9.2
67.37572	1.7
69.03417	6.0
69.07066	3.6
73.02917	6.6
79.05497	8.4
81.03409	4.4
81.07063	11.8
83.08643	1.9
85.02916	10.6
86.09713	1.9
91.03958	4.4
91.05484	7.6
93.07056	7.7
95.08614	5.5
97.02898	7.0
97.10157	1.7
98.30446	1.7
99.04468	1.5
101.02380	2.7
105.07038	8.2
107.04948	2.0
107.08612	3.7
109.10204	3.1
119.08588	3.6
121.10175	2.9
125.00037	2.4
126.79726	1.5
127.03922	3.1
129.06961	1.6
131.08603	2.6
133.10164	4.1
135.11694	3.6
141.09459	1.6
141.31195	1.5
145.10126	1.9
147.11743	3.2
147.69351	1.5
161.13290	1.7
184.07399	6.8
185.04228	3.5
185.07652	2.1
185.09213	1.8
243.08463	9.7
247.13152	1.8
301.09042	7.0
315.10638	2.0
333.20526	3.6
369.15582	1.9
371.17270	1.8
373.10995	2.5
373.23297	1.7
385.18350	4.8
439.19736	2.1
465.21048	13.7
481.20432	3.4
522.68970	1.7
525.23297	6.0
533.27362	2.5
535.29034	4.8
551.28278	13.1
609.32404	3.4
695.39807	4.4
705.35327	2.6
707.39093	3.0
763.42157	3.6
775.42377	90.6
776.42786	4.4
815.45721	3.7
843.48676	13.4
861.49139	100.0
862.49268	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.9
65.03920	2.1
67.05505	100.0
69.03411	2.7
69.07066	15.8
69.72255	5.8
69.72673	2.3
71.01350	1.7
71.04984	3.6
72.91174	1.3
73.02907	2.0
74.77212	1.3
76.28645	1.3
76.37207	1.5
79.05491	46.0
79.05953	2.4
81.03416	7.8
81.07058	63.0
83.04971	4.8
83.08617	13.0
85.02914	9.9
85.06523	3.0
87.04465	2.7
90.30161	1.3
91.05478	27.1
93.07047	44.5
95.04974	5.4
95.08604	37.2
97.02896	3.1
97.06522	5.5
97.10155	10.1
98.20766	2.4
99.08119	2.0
100.81774	1.3
105.07027	13.9
107.04955	3.2
107.08598	24.1
109.06513	3.2
109.10157	51.8
111.04409	1.3
111.08083	3.2
116.53091	1.6
117.07017	8.3
119.08575	17.0
121.10158	15.0
123.08023	2.7
123.11699	3.8
124.12189	1.2
125.09628	12.1
129.06984	2.9
131.08563	8.4
133.10118	7.2
135.11699	10.0
137.09624	3.3
143.08554	1.3
145.10132	9.7
147.07951	1.6
147.11688	5.4
149.09705	1.8
149.13258	4.9
153.12730	1.9
155.10660	3.6
159.11667	4.5
161.13300	3.3
163.11151	6.6
163.14813	1.9
173.09528	1.4
173.11746	13.5
173.13254	3.9
187.14748	2.0
191.10751	2.7
193.12251	1.8
199.13306	3.4
209.11670	3.2
227.12759	4.8
229.14349	33.3
230.14868	1.7
241.19493	1.5
243.21040	2.1
257.13879	1.7
261.22159	13.2
301.16391	10.2
317.24518	1.5
335.25803	65.7
399.23822	7.2
476.17337	1.7
477.35574	6.0
489.35721	13.6
543.37830	2.0
561.37781	5.6
579.38831	2.1
659.45135	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	855.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	5.3
71.08625	3.9
71.61658	3.2
72.73562	2.6
74.97609	2.6
81.07040	6.9
84.96041	28.4
93.07068	3.3
95.08610	3.7
96.23118	2.7
97.10213	2.5
98.97589	31.5
102.97099	4.8
105.07063	2.7
109.10172	2.7
110.97604	6.5
116.98621	14.1
124.99138	9.9
128.98592	10.5
131.00229	3.6
134.99655	3.0
140.98598	6.3
143.00174	27.1
144.98097	7.5
146.99692	6.3
155.00166	8.1
158.99689	4.4
161.01233	21.9
162.99203	7.0
173.01266	7.7
180.94835	7.2
182.99712	13.2
198.95859	13.4
201.00743	18.7
210.26219	2.8
219.01854	3.8
228.96960	6.0
240.96886	6.3
258.98178	3.9
264.96811	14.0
274.97623	4.4
282.97977	29.5
295.19534	3.0
300.99078	12.9
302.33426	2.6
305.99673	4.3
313.20444	13.5
313.27579	4.0
317.17902	22.2
331.21634	4.4
335.19061	7.6
341.02316	4.1
373.20609	3.5
475.29694	2.5
577.23596	32.0
595.24988	8.3
595.46289	3.1
599.22034	37.8
602.25842	2.5
855.45959	100.0
856.46716	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	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32945	1.0
61.02929	7.8
65.03951	2.5
67.05158	2.1
67.05504	27.5
69.03432	7.3
69.07069	9.7
71.04987	6.5
73.02906	2.9
79.05493	31.6
81.03418	89.6
81.07057	36.0
82.03739	1.1
83.04985	21.1
83.08622	33.5
85.02911	43.1
85.06547	2.5
87.64640	0.9
91.03960	7.9
91.05480	43.4
93.07048	25.3
95.04974	35.7
95.08617	15.2
97.02888	9.8
97.06522	5.5
97.10181	5.0
99.04440	1.6
99.08088	2.3
103.14680	1.0
105.07036	34.2
105.07747	1.7
107.04966	9.9
107.08592	9.1
109.02944	1.1
109.06522	7.8
109.10173	4.1
111.04454	3.8
111.08096	14.7
113.06039	3.0
115.05456	1.7
116.38474	0.9
117.07027	1.5
119.07256	1.2
119.08588	25.7
121.06505	2.0
121.10143	14.2
123.08065	3.5
123.11687	2.7
123.29060	0.9
125.06004	1.8
125.09590	2.3
127.03912	2.2
129.07001	14.7
131.08572	19.1
133.06519	4.1
133.10130	15.2
135.08058	2.0
137.09618	3.0
142.07791	4.3
145.04990	1.5
145.10129	3.6
147.04242	1.2
147.08028	5.7
147.11681	19.5
149.09625	8.2
157.10141	21.6
163.06056	2.2
165.12767	4.7
167.07010	2.0
175.11183	21.1
193.12248	67.4
194.12698	1.2
211.13290	92.8
229.14565	1.2
233.15508	1.1
249.14891	2.4
267.15918	50.6
268.16165	1.1
285.16968	86.5
286.17297	1.5
367.22659	3.6
385.23654	7.0
385.28723	1.6
388.47327	1.1
403.24658	1.3
433.26074	1.8
441.26224	1.4
459.27466	32.1
477.28531	38.6
478.28665	2.0
495.29565	100.0
496.29889	3.8
574.16693	1.6
639.33795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.8
65.03924	1.0
67.05505	15.4
69.03427	4.5
69.07068	5.0
71.04996	5.1
71.61776	0.6
73.02916	3.3
77.51006	0.7
79.05493	21.8
81.03418	36.5
81.06575	0.9
81.07056	20.3
83.01355	4.9
83.04983	12.5
83.08621	18.6
85.02905	24.8
85.06532	1.5
86.31393	0.6
91.03954	4.7
91.05481	19.5
93.07047	20.9
95.04969	14.6
95.08609	8.7
97.02896	7.1
97.06546	3.1
97.10166	2.7
98.97654	0.8
99.04466	1.5
99.08047	0.9
105.07030	16.1
107.04963	6.3
107.08595	9.6
108.08849	0.7
109.02884	0.8
109.06522	6.3
109.10156	3.3
111.04472	2.9
111.08080	6.8
113.06026	1.3
115.05449	1.4
117.07018	4.7
119.08585	13.8
121.06521	3.0
121.10136	8.3
123.08076	5.1
123.11681	1.0
125.06001	1.2
125.09642	2.2
127.03938	2.4
128.06236	0.8
129.06999	6.6
131.04936	0.8
131.08595	6.6
133.06480	2.5
133.10138	7.0
135.08046	1.3
135.11684	6.4
137.05969	0.8
137.09630	1.4
142.07802	1.3
143.08528	1.3
145.04964	2.3
145.06509	1.0
145.10114	8.3
147.08049	3.0
147.11694	6.9
149.09642	3.5
151.11169	0.8
153.12738	2.2
157.10117	7.4
159.11609	0.8
163.06081	1.7
163.11183	12.0
165.12762	2.1
167.07072	1.4
168.47321	0.6
173.09633	1.9
174.42230	0.7
175.11179	8.2
181.05040	0.8
181.12234	1.3
191.10680	1.6
193.12247	22.5
209.11758	2.9
211.13284	31.2
227.12773	1.9
249.14699	1.0
265.14389	1.0
267.15948	8.8
283.15399	38.4
284.15692	1.3
285.16953	27.5
336.47867	0.6
369.88351	0.7
383.22287	1.9
401.23386	0.9
412.30093	0.7
457.25748	4.5
475.26947	16.3
485.94809	0.7
493.27954	100.0
494.28256	3.4
637.32013	1.5
852.42224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	5.4
63.23162	1.0
67.05503	25.5
69.07068	8.2
71.01353	2.1
71.04990	2.1
71.08626	11.7
71.61618	1.9
73.02917	2.5
79.05492	20.3
81.03421	3.3
81.07052	19.1
83.04980	4.9
83.08611	6.8
85.02911	7.8
85.06525	2.9
85.10178	5.6
91.03959	4.8
91.05481	8.3
93.07041	23.5
95.04992	1.9
95.08605	12.7
97.02892	4.6
97.06509	6.3
97.10165	8.8
99.04419	1.4
99.08091	1.1
101.68577	1.0
103.67298	1.2
105.07022	2.2
107.08590	13.9
109.10142	7.8
111.08149	1.2
117.07026	2.4
119.08589	4.8
121.10125	4.3
123.11720	2.5
123.90842	1.0
126.81343	1.1
127.03954	1.9
133.10141	3.0
135.11693	33.2
145.04935	2.0
145.10126	5.4
153.12651	2.1
163.06070	1.3
163.11189	4.1
181.12236	8.9
184.07327	2.1
187.06754	1.0
239.23659	1.5
253.14175	1.2
255.15918	100.0
256.16272	1.5
257.24768	1.4
313.27356	44.7
314.27597	1.3
335.25842	1.9
488.14606	1.5
493.38889	83.5
494.39001	3.4
609.45062	1.6
664.99078	1.2
791.44623	1.4
817.33990	1.4
852.50800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.479
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84875	0.1
66.11672	0.1
67.05503	2.5
69.03422	0.4
69.07049	0.3
71.04977	0.5
72.98565	0.1
79.05478	0.4
81.07058	3.7
83.04966	0.2
83.08598	0.2
85.02904	0.9
85.06520	0.2
90.82423	0.1
91.05471	0.4
91.33006	0.1
93.07031	0.6
95.04981	0.2
95.08601	3.1
97.02879	0.3
105.07050	0.2
107.04929	0.4
107.08569	0.4
109.06470	0.2
109.10152	5.8
117.06995	0.2
119.08583	2.0
121.06453	0.2
121.10141	0.3
122.07289	0.9
123.11707	7.7
127.03902	0.2
131.08475	0.2
133.10104	0.2
135.11639	0.2
137.09615	10.2
139.07521	0.5
149.09656	0.3
149.13243	0.6
149.55176	0.2
155.10622	1.0
165.09106	100.0
166.09456	1.3
167.07036	0.4
171.53503	0.2
173.11679	0.3
175.11191	0.2
183.10110	0.8
187.11130	0.2
189.12753	0.3
191.17935	0.2
201.11194	1.6
203.14297	0.2
205.12210	1.3
209.18939	0.4
255.19470	0.2
293.24683	0.8
317.21127	0.2
321.24158	1.3
339.25290	10.6
340.25418	0.2
427.32053	0.4
445.33148	3.2
455.31641	0.7
473.32639	2.6
491.33688	4.7
860.96356	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	849.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.0
61.02912	1.7
63.27735	0.4
67.05497	1.9
69.03426	13.1
69.07063	1.2
69.28261	4.4
71.01350	1.7
71.04993	53.6
73.02916	4.8
75.04482	3.2
78.96425	0.5
79.05486	1.8
81.03407	3.2
81.07053	5.6
83.04980	8.7
85.02905	100.0
86.03251	0.7
87.04482	3.2
91.03997	0.5
91.05476	2.2
93.07049	3.8
95.04971	1.6
95.08607	5.1
97.02893	15.0
98.97594	0.7
99.04443	4.9
101.06029	0.4
103.03959	1.1
103.66602	0.5
105.07027	4.3
107.04995	0.5
107.08598	4.0
109.02866	2.4
109.06496	0.5
109.10158	1.8
110.97551	0.5
111.04455	6.2
113.02340	0.5
115.03923	6.9
115.05422	0.5
117.05533	1.0
117.07026	1.4
119.08578	3.1
121.10114	2.1
123.04469	0.5
123.11724	0.5
127.03909	5.5
128.98602	0.5
129.05478	21.9
129.06976	0.9
131.08571	6.1
133.05005	1.5
133.10117	2.1
135.11722	1.7
137.05963	0.8
137.13284	0.5
139.03925	1.4
143.08594	0.7
145.04977	4.2
145.10133	5.7
147.06514	7.3
147.11737	1.9
149.13258	1.3
157.04976	1.2
157.10165	0.9
159.11668	2.8
161.06038	0.5
161.13307	1.2
163.06161	0.6
163.14917	1.1
169.51678	0.5
171.06570	0.7
171.11810	0.9
173.13326	1.5
175.14868	0.7
179.07085	0.6
185.13322	1.7
187.14816	14.4
189.16382	5.1
191.17996	1.6
197.08009	0.5
199.06099	0.7
199.14894	1.2
201.16411	5.1
203.17998	1.2
213.16399	2.2
215.18028	1.3
225.07663	2.3
227.18074	1.4
229.19594	1.0
241.19528	2.7
243.08749	1.3
253.19571	1.1
255.21211	0.5
261.09714	0.9
267.21069	0.5
273.09964	0.5
279.10794	1.9
309.11685	0.7
331.24451	0.4
361.07568	1.0
391.33557	14.3
391.38556	0.8
409.34976	1.2
849.49994	79.7
850.49744	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	849.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02282	2.2
61.13519	2.6
66.03075	2.5
67.05487	3.2
71.04985	4.3
71.95269	4.2
79.05498	4.0
81.07075	8.7
84.96043	5.3
85.02914	5.1
93.07066	4.5
95.08628	12.8
98.97585	99.7
107.08623	4.4
109.10153	3.8
110.97573	25.6
112.99136	35.1
116.98626	64.9
116.99428	4.3
119.08577	4.4
121.10171	5.2
124.99131	7.6
127.00620	3.6
128.98604	24.2
131.00180	34.0
134.99678	15.4
135.11613	3.6
140.98563	4.4
143.00166	27.9
145.10201	5.4
146.99702	11.9
149.01210	12.7
149.13235	3.5
153.00836	2.5
154.01773	3.2
157.10094	3.6
158.01215	3.4
158.99663	38.1
161.01236	22.4
167.00142	4.5
169.01808	6.2
170.99629	12.8
173.01256	28.6
177.00710	33.9
182.99622	6.7
185.01216	58.1
185.13263	4.7
187.02913	4.2
189.00725	21.3
191.02277	24.2
201.00760	8.6
203.02271	60.4
203.04044	3.8
207.01764	4.7
214.03947	6.4
221.03448	6.7
226.03745	5.5
227.02383	5.2
245.03352	28.9
263.04416	32.0
283.33936	2.7
286.05984	4.7
305.05457	48.5
323.06717	10.3
346.08029	3.5
395.08804	11.2
451.29114	4.4
463.28854	2.8
493.29712	16.2
511.30872	26.4
529.32159	33.2
547.32928	14.5
552.33563	2.6
565.34064	4.2
699.37646	14.1
703.37756	4.8
717.38892	3.6
789.41052	48.2
790.40240	3.9
807.42078	80.4
819.41455	3.7
830.44232	12.6
849.43005	100.0
850.43237	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	849.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	4.1
69.03449	2.2
69.07089	2.2
71.04996	3.7
71.61576	2.6
71.95285	2.2
79.05511	3.4
80.55793	1.9
81.07069	6.4
83.04967	1.9
84.96043	4.7
85.02914	6.5
93.07056	3.6
95.08632	9.1
96.78267	1.8
98.97586	100.0
105.07056	3.4
106.60827	1.9
107.08613	3.6
109.10188	4.4
110.97565	22.8
112.99143	35.4
116.98625	55.2
116.99426	3.4
119.08592	5.4
121.10152	4.2
124.99113	10.5
127.00695	3.7
128.98624	22.3
131.00174	45.1
131.01112	3.5
131.08640	2.9
133.10144	2.7
134.99669	16.9
135.11725	2.6
137.13312	2.3
137.64063	1.9
140.00261	5.7
140.98634	4.1
143.00159	28.3
145.01805	2.9
145.10158	3.3
146.99651	10.0
149.01212	16.7
154.01816	4.1
158.99673	26.3
159.03264	3.7
159.11621	2.5
161.01225	18.7
167.00247	5.2
170.99747	7.1
173.01236	27.3
177.00737	26.7
177.02145	2.4
182.99721	5.6
184.02824	1.9
185.01230	56.1
187.02808	5.3
187.14763	2.3
189.00740	18.4
191.02267	25.6
200.02396	2.8
201.00810	6.8
201.16685	1.9
203.02277	58.0
205.03734	2.3
207.01880	3.6
214.03938	3.9
221.03406	7.5
226.03857	5.5
227.02382	7.0
245.03360	29.4
249.02916	2.3
263.04373	26.8
286.06119	2.9
305.05447	35.5
323.06464	9.1
340.68442	2.2
346.08270	4.8
395.08743	7.9
451.29092	2.7
469.30179	2.3
493.29846	15.7
511.30917	23.6
519.49524	2.1
529.32025	39.7
534.32220	4.3
547.33173	17.3
552.33746	4.0
565.34119	3.3
661.36469	3.2
699.38208	8.3
703.37604	4.1
789.40839	52.4
790.41064	3.0
807.41949	88.5
808.42133	3.8
830.43658	11.1
849.43030	63.6
850.42761	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	847.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.9
67.05510	6.9
69.03426	3.7
69.07076	2.3
70.02827	1.9
71.01366	0.6
71.04999	0.9
73.02919	4.7
79.05503	4.5
79.75224	0.4
81.03430	1.6
81.07051	5.2
83.08633	0.6
85.02913	5.5
87.11716	0.4
91.03955	3.1
91.05479	3.1
93.07060	3.9
95.04964	0.4
95.08613	3.8
97.02897	5.4
97.06524	0.7
97.10169	1.3
99.04489	0.8
101.02395	1.7
105.07028	2.2
107.08589	2.3
109.02924	1.2
109.06553	0.8
109.10175	2.2
115.04008	0.5
117.07026	0.7
119.08591	1.7
121.10188	1.4
123.11697	0.8
127.03946	1.5
131.08582	1.2
133.10155	1.1
135.11693	0.8
145.10168	0.6
149.13271	0.7
155.12531	0.4
159.11758	0.6
161.13278	0.6
166.90193	0.4
178.37950	0.4
184.07417	1.9
185.04222	1.0
191.48027	0.4
243.08363	2.4
263.46533	0.4
335.25784	1.2
351.21362	3.6
387.44403	0.5
407.24405	0.7
425.21310	0.5
470.55722	0.4
519.29175	6.0
569.29272	5.5
570.29279	0.4
847.51721	100.0
848.51880	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.9
67.05508	4.4
69.03434	3.2
69.07069	1.9
69.90353	0.9
69.90756	2.2
73.02916	3.2
79.05493	4.0
81.03422	1.0
81.07060	5.3
83.04996	0.8
83.08636	0.8
85.02905	4.7
86.09729	1.9
91.03959	2.8
91.05479	4.6
93.07049	4.8
95.04980	0.7
95.08611	2.4
97.02880	3.7
99.04482	0.7
101.02407	1.2
103.03940	0.5
105.07033	3.3
106.73228	0.5
107.08612	2.1
109.02931	0.6
109.06554	0.8
117.07053	0.6
119.08593	2.0
121.10142	1.7
125.00040	0.9
127.03928	0.9
129.07043	0.9
131.08545	0.9
133.10167	1.2
135.11745	1.1
145.10161	1.4
147.11716	1.3
159.11839	0.9
161.13347	0.6
166.09598	0.5
184.07335	4.6
185.07678	0.7
231.42885	0.5
243.08470	2.9
245.13600	0.5
301.09082	1.2
333.20444	2.6
373.11295	0.6
373.23694	0.7
385.18576	0.6
393.72580	0.5
439.19446	0.7
465.20993	0.7
535.29053	5.4
551.28369	7.0
609.10187	0.5
623.30493	0.8
627.02209	0.6
753.09442	0.6
845.50183	100.0
846.50476	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	3.5
61.02932	4.1
67.05503	5.3
69.03429	3.6
69.07067	3.4
69.41274	1.6
69.41686	5.1
71.04988	2.0
71.07378	1.7
73.02917	3.8
79.05504	6.4
81.03423	2.1
81.07053	6.2
82.14281	0.8
83.04957	1.5
83.08609	1.4
84.74512	0.7
85.02914	7.5
86.09704	11.5
87.10055	2.4
91.03961	2.7
91.05481	5.0
93.07055	6.5
95.04967	1.7
95.08611	4.4
97.02903	6.6
97.58694	0.7
98.20746	1.3
98.98478	1.3
101.02377	1.6
104.10763	1.4
105.07056	5.1
107.08597	3.8
109.02898	1.1
109.10174	1.6
117.07051	2.1
119.08595	3.3
119.66595	0.8
121.10209	1.2
125.00005	10.2
127.03934	2.1
129.07039	0.9
131.08578	1.5
133.10141	2.0
135.11755	1.3
145.04997	0.8
145.10193	1.2
147.11699	1.4
149.13333	1.0
159.11757	1.4
161.13284	1.3
184.07352	38.4
185.04225	1.1
185.07661	4.5
197.13177	1.5
197.78453	0.9
243.08354	3.9
260.47467	0.8
315.10611	1.5
333.20529	2.8
347.41696	0.9
417.31754	1.0
465.20959	2.1
520.33856	0.8
535.28687	5.7
551.28284	7.1
623.30243	1.2
707.40326	0.9
827.51184	1.0
845.50183	100.0
846.50757	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	845.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49981	0.8
61.02927	2.2
64.77590	0.9
67.05495	1.5
68.59087	0.9
69.03419	1.3
71.05260	1.6
73.02918	1.9
78.53774	0.8
79.05492	1.0
81.07063	2.4
85.02914	1.5
86.09705	1.1
91.03946	0.8
91.05493	1.6
93.07066	2.2
95.08595	1.3
97.02892	1.5
105.07043	1.3
107.08642	1.3
119.08611	0.9
130.40697	0.9
135.11711	1.2
184.07390	1.1
298.48950	0.9
301.09088	1.3
385.18488	1.5
519.29407	2.8
717.41608	1.4
743.43140	1.2
757.44769	1.5
799.46368	1.5
827.49695	1.6
845.48199	100.0
846.48138	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.0
66.34702	0.6
67.05507	4.6
69.03434	2.7
69.07057	1.7
73.02922	4.6
79.05503	3.7
81.03401	1.5
81.07061	5.2
83.04976	0.9
83.08664	0.8
85.02908	4.8
86.09716	2.3
91.03961	2.5
91.05499	3.7
93.07046	6.4
95.04954	0.6
95.08608	3.9
97.02914	5.4
98.98486	0.6
99.04520	0.9
101.02419	2.4
102.67362	0.5
105.07024	3.3
107.08620	2.6
109.10173	1.4
117.07052	1.0
119.08572	2.9
121.10149	1.2
125.00039	1.7
127.03925	1.1
131.08540	1.5
133.10152	2.1
135.11708	1.2
143.75015	0.6
145.10117	0.8
147.11795	1.1
173.80133	0.6
184.07336	9.3
184.08713	0.7
185.04289	1.1
243.08562	2.3
259.08133	0.9
301.09079	1.3
315.10675	0.8
333.20343	1.5
439.19739	0.8
453.21017	0.8
454.22104	0.7
461.61978	0.7
469.20447	0.8
519.29944	1.1
535.28693	5.3
551.28394	5.3
623.30603	0.9
845.50183	100.0
846.50494	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	845.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.5
67.05507	2.4
69.03426	1.6
69.23708	1.4
69.24057	8.0
73.02921	1.1
73.92010	0.8
79.05493	1.8
81.07059	2.2
85.02931	2.1
85.36091	0.7
86.09714	1.7
91.03963	1.6
91.05484	1.3
93.07063	1.5
95.08611	1.3
95.81400	0.7
97.02905	2.5
99.60085	0.7
102.49907	0.6
107.08635	0.8
109.10161	1.1
125.00072	0.8
136.30408	0.8
180.77029	0.7
184.07346	4.7
185.04210	1.0
201.03821	0.9
217.24834	0.7
231.15932	0.7
243.08440	1.0
301.09109	2.4
315.10571	1.0
371.16785	1.6
373.11636	0.7
480.40817	0.7
519.29413	4.1
520.30402	0.7
533.42548	0.7
535.26935	2.1
578.31128	1.2
591.31659	1.2
619.35101	1.0
647.38336	0.9
661.38763	1.1
674.03748	0.9
701.42596	1.1
702.43250	2.4
719.43671	0.8
759.42664	6.7
827.49829	1.5
845.48450	100.0
846.49005	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	843.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02844	4.9
67.05410	5.4
69.03335	3.3
69.06972	4.3
70.72987	2.3
73.02821	3.9
79.05396	6.9
81.03316	2.9
81.06955	6.0
83.04900	0.9
83.08532	1.1
83.08988	0.7
85.02806	5.2
86.09583	1.3
86.47487	0.7
91.03850	2.9
91.05376	5.1
93.06936	5.6
95.04902	1.4
95.08499	4.6
97.02775	3.4
98.02884	0.8
99.04373	0.8
101.02316	1.2
105.07027	5.6
107.04893	1.8
107.08484	3.5
109.02786	1.2
109.10059	1.4
115.40695	0.8
116.22813	0.7
117.06929	1.6
119.08453	3.4
121.10069	1.5
127.03797	2.2
131.08473	1.3
133.10017	3.2
133.10927	1.0
143.08510	1.1
145.09999	1.6
147.11551	2.4
149.09558	1.0
161.13220	1.1
163.11021	1.0
171.11668	1.2
179.14314	1.0
184.07361	5.5
185.04150	1.3
203.05081	1.0
243.08408	3.5
247.13029	1.6
281.17505	0.9
315.19290	8.4
386.79376	0.8
465.20990	14.3
533.27301	17.0
551.27826	2.1
595.36462	1.4
605.29053	1.2
659.35211	0.8
677.34875	1.7
682.97339	0.9
687.36328	1.1
727.40344	3.4
745.41620	3.5
746.41998	1.8
757.41302	100.0
758.41632	5.8
797.44275	1.4
821.06989	0.8
825.47479	10.0
843.47577	56.5
844.47601	3.2
845.46735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69772	0.5
61.02933	5.0
67.05510	5.5
69.03435	3.5
69.07077	1.9
69.96106	3.0
71.04982	0.8
73.02911	3.7
79.05485	4.0
81.03426	2.4
81.07054	5.5
83.04964	0.6
85.02904	4.3
86.09735	1.2
87.04478	0.7
91.03960	3.2
91.05502	2.8
93.07046	4.4
95.04975	1.0
95.08603	4.1
97.02890	5.7
97.06542	0.8
99.04490	0.6
99.29168	0.6
101.02396	1.3
101.19274	0.7
105.07038	1.8
107.04951	1.2
107.08628	1.9
109.10194	0.9
111.04479	0.8
111.18987	0.5
117.07058	1.0
119.08553	0.9
121.10163	2.7
127.03987	0.9
128.16905	0.7
128.65344	0.6
131.08583	0.9
133.10136	0.7
145.10213	1.0
147.11710	0.9
172.83348	0.6
173.13200	0.7
184.07323	3.9
185.04285	1.0
203.05389	0.8
243.08522	2.3
261.14905	0.9
347.18378	3.6
479.22879	1.8
519.29327	7.1
529.75922	0.8
565.26172	4.9
691.40271	2.9
719.40692	1.0
757.43958	3.2
843.48560	100.0
844.48724	5.4
860.83234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.3
64.98073	0.9
67.05511	4.3
69.03426	3.9
69.07075	1.7
71.05002	1.8
73.02920	4.3
79.05495	3.9
81.03423	2.4
81.07061	7.4
83.05007	1.3
85.02901	6.4
86.09729	3.2
91.03961	3.4
91.05493	3.6
93.07043	5.5
95.04992	1.8
95.08607	5.6
97.02914	6.3
97.06541	1.1
99.04472	1.2
101.02367	2.5
105.07050	2.8
107.08604	2.8
109.10178	2.3
117.01895	0.9
117.06999	1.0
119.08617	1.0
119.09473	0.9
119.35392	0.9
121.10162	2.0
127.03903	1.7
131.08582	1.0
133.10069	1.0
145.10106	1.2
164.39745	0.9
184.07391	3.4
214.75623	1.0
229.14258	1.5
243.08472	3.6
294.37018	1.1
309.78546	1.1
329.17313	1.6
341.52246	1.0
347.18469	3.9
357.91904	0.9
519.29114	8.3
660.48798	1.8
729.41949	1.9
735.39313	1.6
743.43481	4.8
757.43634	2.8
784.48151	3.4
785.45520	1.0
797.44391	2.2
825.48358	7.6
826.50067	1.4
843.48547	100.0
844.49329	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	2.2
60.08158	2.5
62.13284	1.7
63.93723	1.8
65.03936	5.8
67.05505	98.4
69.03425	3.1
69.07069	21.1
70.94668	3.8
71.04990	4.8
71.07375	2.1
72.52022	1.6
77.03922	2.1
79.05493	55.4
81.03403	3.5
81.07062	80.8
83.04978	5.2
83.08628	14.0
85.02917	2.4
85.06499	4.4
86.09701	15.0
88.88820	1.6
91.05482	42.1
93.07044	64.7
95.04958	7.6
95.08608	52.5
97.06521	6.5
97.10198	8.4
98.98427	2.0
99.08073	2.1
105.07031	35.1
107.04956	4.1
107.08597	43.5
109.06542	2.5
109.10162	50.0
111.08067	5.7
117.06998	16.7
119.08583	22.8
121.10159	28.6
123.08048	2.9
123.11730	6.6
125.00006	8.8
125.09611	4.4
129.06958	4.2
131.08548	17.5
131.13242	1.5
133.10130	20.8
134.10413	1.7
135.08020	4.3
135.11664	16.6
137.09630	3.2
137.13225	2.2
143.08551	4.1
145.10135	14.6
146.78674	1.8
147.11688	11.8
149.09633	5.6
149.13210	10.9
151.11121	2.2
155.08569	3.0
155.10768	1.8
157.10089	4.7
159.11703	12.0
161.13239	7.2
163.11223	2.6
165.12772	2.7
173.11729	6.0
173.13254	7.6
175.14832	2.8
179.14380	2.3
184.07347	49.2
185.13310	3.1
187.14761	3.2
189.11305	2.2
197.13254	2.0
205.15877	1.8
227.12779	8.1
229.14352	34.3
238.94090	1.9
243.21059	5.7
247.20677	2.0
257.18939	5.3
261.22174	14.4
269.17474	12.2
275.20050	21.8
293.21066	4.3
309.20621	6.3
313.50388	1.9
317.24658	1.7
331.22586	2.5
335.25800	100.0
336.25946	2.9
349.23752	18.0
367.24841	12.7
489.35876	16.3
529.38892	29.3
569.42035	28.1
609.36230	2.5
609.45233	32.2
627.45972	17.8
842.47528	2.0
843.47992	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.4
65.03933	8.9
67.05164	6.4
67.05508	96.5
69.03437	14.1
69.07077	52.9
71.04991	13.4
71.61644	4.2
73.02904	4.5
79.05057	5.8
79.05499	85.4
81.03419	34.7
81.07062	100.0
83.04960	15.1
83.08617	10.9
85.02892	7.5
85.06545	4.8
88.85326	2.8
91.04607	3.0
91.05478	72.6
93.07050	85.6
95.04970	19.5
95.08614	58.4
97.02892	8.6
97.06536	61.8
97.10171	4.3
99.04383	3.9
99.08086	4.1
105.06460	4.1
105.07040	38.9
107.04953	13.4
107.08592	40.5
109.06514	25.3
109.10151	29.3
111.04461	3.7
111.08085	7.1
113.06068	3.5
115.07569	22.3
117.07016	20.9
119.08585	35.8
120.28416	3.1
121.06496	7.8
121.10146	32.1
122.12012	2.9
123.08060	6.8
123.11677	7.3
127.03999	4.7
128.06230	5.1
129.06993	6.8
131.08583	29.0
133.06461	5.8
133.10129	22.9
135.08070	11.1
135.11682	14.8
143.08560	11.3
145.10118	21.2
147.08022	6.1
147.11694	17.1
149.09627	4.2
149.13223	12.9
151.11125	4.0
155.08461	3.6
157.10101	13.1
159.11652	14.2
161.09602	5.8
161.13237	7.4
163.11150	3.8
171.11662	6.1
173.04524	4.2
173.13228	6.6
175.11171	8.4
175.14716	4.5
177.12785	4.8
184.07278	8.6
189.16327	3.8
193.12204	4.6
201.12672	4.2
217.15839	4.9
233.15288	7.0
243.21104	4.3
249.14973	3.1
255.17455	4.6
259.20554	3.7
261.22256	16.2
267.15991	21.4
269.17462	13.6
273.18488	30.2
275.20132	4.7
291.19720	16.3
301.22061	3.1
307.19009	4.2
333.24457	4.2
335.25812	88.8
336.26031	3.3
347.22195	8.2
365.23123	9.8
515.37524	3.5
527.37366	8.9
529.38947	22.4
530.39697	3.2
545.38129	4.4
625.44971	16.9
643.45404	4.4
655.08923	3.4
779.91760	3.3
781.43549	3.9
841.44904	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.8
65.03936	7.3
67.05509	92.3
69.03426	8.5
69.07067	37.2
69.81059	16.7
71.04986	4.0
79.05499	92.6
80.55293	3.0
81.03422	13.5
81.07063	100.0
83.04987	11.8
83.08626	17.3
85.02893	5.5
85.06543	6.3
86.09718	3.2
91.05488	97.6
93.07048	85.7
95.04967	11.3
95.08614	62.4
97.02888	6.4
97.06531	9.4
97.10165	5.9
103.05463	4.5
105.04574	3.6
105.07040	88.8
107.04921	4.7
107.08598	49.3
109.02843	4.4
109.06516	11.3
109.10168	25.8
111.08081	5.6
115.05470	6.2
117.07033	37.5
119.07780	4.6
119.08588	61.3
121.06544	4.6
121.10150	32.2
123.08041	7.9
123.11713	7.5
125.09624	5.6
127.03956	3.5
128.06244	9.1
129.07018	23.6
130.07805	3.3
131.08572	54.6
133.06512	3.4
133.10141	42.2
135.08038	6.4
135.11673	19.9
137.09641	5.0
141.06995	12.2
142.07788	5.7
143.08589	21.5
145.06557	3.3
145.10149	37.9
147.08064	3.5
147.11731	25.8
149.09531	5.1
149.13278	11.8
155.08577	19.8
156.09232	3.4
157.10141	22.4
159.11694	40.2
161.09705	3.7
161.13263	17.1
163.11128	4.0
163.14816	5.9
167.08598	7.2
169.10133	13.5
171.11679	24.3
173.11893	2.7
173.13239	16.5
175.11159	3.2
175.14845	7.1
177.12665	5.1
181.10118	7.2
183.11723	18.8
184.07352	7.9
185.13301	12.2
187.14842	9.7
189.11275	3.5
193.10158	4.0
195.11710	10.3
197.13272	13.8
199.14850	9.5
207.11749	4.4
209.13260	8.4
211.14847	8.7
213.16371	4.2
223.14822	6.6
229.14363	5.4
229.19566	3.9
239.17928	4.8
241.19514	10.3
257.19034	5.0
259.20642	18.2
261.22177	6.1
267.15817	3.5
269.17575	5.1
275.20139	9.6
277.21854	4.2
291.19467	4.1
315.23380	4.4
333.24271	21.8
335.25726	12.0
349.24023	4.3
365.23273	4.8
379.30350	3.2
435.32358	4.8
527.37305	11.2
607.43536	5.5
609.45300	31.3
625.44720	15.1
643.44556	4.0
721.87512	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.0
62.08535	2.4
64.87265	2.6
65.03934	6.9
67.05503	100.0
67.05866	5.4
67.23891	2.5
69.03403	7.6
69.06704	4.6
69.07068	61.3
69.07441	4.2
69.65497	5.7
69.65910	10.4
71.04986	10.3
72.42135	2.7
74.92081	2.5
75.38417	2.3
79.05048	5.1
79.05492	71.8
81.03417	12.9
81.07056	92.5
83.04981	4.4
83.08627	14.4
85.02906	6.3
85.06522	4.4
87.74243	2.7
91.05476	53.7
92.64857	2.2
93.07043	70.2
95.04969	14.4
95.08604	65.1
96.13152	2.5
97.02881	7.1
97.06527	19.7
97.10160	8.8
98.20734	4.7
99.08052	3.8
103.05431	3.4
105.07022	47.5
107.04955	8.9
107.08582	37.4
109.06505	11.2
109.10162	31.1
111.08087	5.8
113.68367	2.4
115.07555	10.0
115.17653	2.4
117.07037	15.4
119.08590	33.2
121.06499	4.8
121.10140	24.5
123.08083	3.9
123.11710	8.8
125.09617	5.6
127.03909	4.7
129.05492	3.7
129.06998	7.0
131.08574	23.5
133.10129	23.8
135.08046	4.6
135.11711	18.3
137.09581	8.0
137.13257	3.6
143.08578	7.7
145.10121	18.9
147.08043	3.8
147.11732	14.6
149.09604	8.6
149.13232	8.2
151.11157	3.3
157.10207	3.3
159.11719	11.8
161.13235	6.7
163.11192	5.3
169.10066	3.7
173.11824	3.1
173.13225	10.3
175.11147	3.1
179.14272	2.9
183.11832	3.1
185.13283	7.6
187.14783	3.7
219.17471	3.5
227.12764	6.4
229.14226	3.0
239.17989	3.4
247.20601	2.8
257.19058	7.7
259.20642	4.1
261.22232	7.7
267.15933	4.2
273.18365	3.3
275.20099	27.1
291.19583	5.5
293.21381	3.1
333.24295	3.1
335.25793	54.0
349.23709	28.1
365.23398	3.4
431.31464	5.0
489.35770	8.9
513.39471	4.4
529.39264	4.0
609.44928	34.1
614.48578	3.4
627.45862	3.7
723.10974	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	829.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80490	1.0
61.02929	11.8
64.05356	1.1
67.05505	11.8
69.03433	6.5
69.07072	3.5
71.01341	1.5
73.02915	10.3
79.05495	9.8
81.03414	4.5
81.07049	15.1
83.08587	1.7
85.02908	11.3
86.09710	2.1
91.03967	8.3
91.05482	8.9
91.69688	1.0
93.07041	11.0
95.08613	9.0
97.02879	9.8
97.06555	1.3
97.10184	1.9
97.61274	1.0
99.04448	3.4
101.02386	5.5
103.03887	1.4
105.07033	6.0
107.08595	5.6
109.02888	3.0
109.10150	3.8
117.07031	1.7
119.08609	3.6
121.10172	3.6
125.00044	1.5
127.03945	3.4
129.05490	1.4
133.06834	1.2
133.10153	2.3
135.11731	2.1
139.10974	1.1
145.05055	1.2
145.10083	2.1
146.15492	1.3
147.11722	3.0
184.07361	9.8
185.04240	4.0
201.03680	1.3
203.05322	2.2
243.08481	6.2
271.39627	1.4
301.08932	6.9
315.10684	3.6
333.20697	2.3
335.25974	2.7
358.17587	1.1
371.16867	3.5
373.11142	3.4
385.18362	4.7
425.21744	2.3
457.20203	1.5
465.20981	5.3
469.20581	2.5
483.34412	2.9
509.24136	1.2
519.29321	29.8
520.30402	1.3
523.37842	1.6
533.27527	3.9
551.28400	5.1
578.30566	6.1
591.31555	5.7
619.34924	1.6
633.36279	1.4
647.37427	3.6
661.38959	5.6
662.39929	4.3
691.39990	3.8
701.42371	4.6
702.43878	6.3
713.42413	1.7
719.43152	1.8
731.43445	5.9
734.42590	1.4
743.43384	75.9
744.43622	4.3
783.46442	12.8
811.49695	20.7
812.50598	1.7
829.49792	100.0
830.50348	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.5
65.03941	5.3
67.05506	87.9
67.36543	3.9
69.03417	10.1
69.07075	22.4
69.43406	26.4
70.51765	2.8
71.04986	5.6
71.59624	2.7
79.05499	73.9
80.50120	3.3
81.03422	15.1
81.07056	67.6
83.04987	12.8
83.08621	14.1
85.06533	5.6
87.04476	7.7
91.05485	55.8
93.07050	65.3
95.04977	24.6
95.08614	53.7
96.85433	3.3
97.02878	4.9
97.06539	34.5
97.10167	7.3
99.08074	4.1
105.07053	36.2
107.04955	21.5
107.08607	36.1
109.06516	23.1
109.10168	24.6
111.04455	5.9
111.08083	5.3
113.06002	7.2
115.05470	7.1
117.07017	16.8
119.08585	33.0
121.02876	7.5
121.06498	22.1
121.10138	30.0
123.04435	5.3
123.08060	18.1
123.11715	3.8
125.05970	10.0
125.09634	12.5
127.03934	5.3
128.06273	3.4
129.07031	9.0
131.08577	26.1
133.06503	7.7
133.10118	17.0
135.08032	16.2
135.11685	9.5
137.09587	4.1
141.06921	4.1
143.08591	9.1
145.10150	10.5
147.08044	4.8
147.11684	12.9
149.09631	5.9
149.13286	7.3
151.07576	7.6
155.08524	6.7
157.10149	12.7
159.08087	24.1
159.11728	11.4
161.09613	6.4
161.13269	6.1
163.07541	8.2
163.11197	6.3
169.10161	3.4
171.11661	3.5
173.09668	5.3
173.13268	8.3
175.11174	6.7
179.10638	3.6
184.07349	4.2
187.14832	4.9
189.11211	3.9
193.12239	4.7
215.14287	3.7
219.13765	4.2
227.12724	4.8
233.15399	38.8
241.14380	12.0
251.16327	6.9
261.18500	3.8
261.22238	5.6
267.15750	4.3
271.16843	19.4
289.17993	54.0
307.19037	23.6
313.27444	3.9
335.21985	5.7
335.25830	100.0
336.26172	3.7
363.21658	19.9
381.22659	21.3
406.24088	3.4
623.43268	18.4
641.43872	33.3
659.45325	5.9
662.80200	3.9
813.57959	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91456	0.3
61.02932	4.6
65.99918	0.3
67.05508	3.9
69.03431	3.0
69.07056	1.6
71.01359	0.4
71.36260	0.6
73.02920	3.8
73.03313	0.5
79.05494	5.3
81.03407	2.2
81.07056	4.5
83.01174	0.4
83.05000	0.5
83.08620	0.9
85.02901	4.4
85.40836	0.3
86.09714	0.5
91.03964	3.2
91.05485	5.1
93.07040	5.9
95.04955	0.8
95.08599	2.4
97.02907	3.7
97.10212	0.3
99.04468	1.0
101.02396	1.7
103.03966	0.6
105.07033	3.9
107.08604	3.0
109.02892	0.9
109.10145	0.8
117.07040	1.2
119.08584	4.2
121.10139	2.0
121.59704	0.3
125.00045	0.6
127.03930	1.6
129.05508	0.5
129.06999	0.7
131.08572	1.1
133.10126	2.6
135.11714	1.0
143.08583	0.7
145.10152	0.8
147.11728	1.5
149.13364	0.4
157.10158	0.7
159.11732	1.1
161.13272	0.8
165.12758	0.4
171.11633	0.5
173.13281	0.5
175.14774	0.4
184.07399	2.2
185.04233	1.3
203.05261	0.6
243.08432	3.8
287.15994	0.4
299.19638	0.6
301.08844	1.9
313.08939	0.5
315.10757	1.5
317.20981	1.4
340.12683	0.4
341.12198	0.5
355.13675	0.6
369.15295	0.4
373.11041	0.4
373.23907	0.5
383.17197	0.4
385.18341	0.5
397.18356	0.6
465.21188	1.5
495.21719	0.5
517.27832	0.4
525.22852	1.7
535.28784	15.7
607.30792	2.0
649.35876	0.5
663.36945	0.5
829.50702	100.0
830.50800	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08135	0.4
60.84903	0.4
61.02931	6.2
65.03922	0.7
67.05510	6.2
69.03434	3.6
69.07075	1.6
69.45412	0.4
69.45719	3.6
71.01374	0.5
71.05006	0.8
73.02927	4.2
79.05489	5.0
80.63362	0.5
81.03430	2.1
81.07061	6.4
83.04978	0.7
83.08616	0.8
85.02903	5.6
87.04503	0.5
91.03944	3.4
91.05486	3.3
93.07043	5.4
95.04987	0.5
95.08609	4.4
97.02910	5.9
99.04469	1.0
101.02401	1.9
105.07044	2.7
107.08614	3.2
109.02911	0.9
109.06493	0.5
109.10172	1.1
117.07081	0.7
119.08599	1.7
121.10165	1.4
127.03963	1.7
131.08617	1.1
133.10158	1.1
135.11736	1.0
145.10083	0.5
147.11691	0.6
148.90727	0.5
184.07372	0.8
243.08469	2.2
285.08008	0.4
333.20419	3.5
335.25980	0.7
386.82547	0.5
519.29291	7.9
519.96643	0.5
551.28357	4.4
801.91370	0.5
829.50726	100.0
830.50916	7.1
858.26685	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.1
65.03942	0.6
67.05508	5.6
69.03447	3.5
69.07066	2.9
70.73095	1.3
71.01360	0.6
71.05002	0.6
73.02911	4.1
79.05497	4.5
81.03407	2.8
81.07055	6.2
83.04962	0.6
83.08620	1.0
85.02904	6.3
85.06560	0.5
86.09712	2.9
91.03959	3.6
91.05462	2.7
93.07051	4.8
95.04971	1.2
95.08613	4.6
97.02892	5.5
97.10186	1.3
98.98473	0.6
99.04449	1.1
99.44176	0.5
101.02390	1.5
105.07043	2.5
107.08595	2.5
109.02885	0.9
109.10158	1.8
117.07005	0.7
119.08582	1.3
121.10175	1.4
125.00031	1.6
125.09648	1.1
127.03900	1.4
128.99040	0.5
131.08615	1.1
132.71877	0.5
133.10172	0.9
135.11734	1.2
145.10117	1.1
184.07330	8.2
185.04245	0.7
185.07684	0.6
189.11287	0.6
203.05292	0.5
224.00179	0.5
243.08475	2.7
261.21970	0.5
268.50421	0.4
313.59094	0.5
333.20355	7.6
425.20911	0.6
456.22986	0.5
519.29248	6.2
524.97284	0.5
551.28284	6.0
582.44153	0.5
591.31927	1.2
829.50671	100.0
830.50946	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65074	0.4
61.02929	5.1
62.14655	0.4
63.03413	0.4
64.63879	0.4
65.58293	0.4
67.05508	6.5
69.03436	3.6
69.07052	2.0
71.01363	0.6
71.04997	0.6
73.02919	4.5
79.05489	4.5
81.03429	1.7
81.07055	5.5
81.07455	0.5
81.81602	0.5
83.08624	0.7
85.02900	4.6
86.09717	1.4
91.03969	3.2
91.05480	3.0
93.07045	4.2
94.30669	0.5
95.04993	0.7
95.08617	3.6
97.02901	5.5
97.10168	0.5
99.04489	1.0
100.41599	0.4
101.02396	2.2
103.03958	0.5
105.07062	1.8
107.08595	2.1
109.02903	0.5
109.10132	2.0
116.85210	0.4
117.07053	0.7
119.08608	1.4
121.10159	1.9
123.11818	0.5
125.00047	1.3
127.03960	1.8
131.08594	1.0
133.10181	0.7
135.11719	1.2
147.11752	0.6
184.07365	4.1
185.04298	1.0
185.07893	0.5
187.93613	0.5
203.05312	0.6
243.08440	2.3
268.14151	0.4
333.20575	1.8
408.98761	0.4
439.19586	0.6
478.38547	0.4
519.29327	7.5
551.28363	2.7
671.52655	0.4
705.33917	0.4
768.43365	0.4
829.50708	100.0
830.50812	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	828.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	9.7
69.03426	2.4
69.07070	12.7
71.62172	2.7
79.05486	6.4
81.03413	2.4
81.07063	29.4
83.08624	8.5
85.02901	8.1
90.84754	1.8
91.05476	10.1
93.07054	24.3
95.08608	57.1
96.11461	1.8
97.02890	3.9
97.10199	2.6
99.08103	7.8
100.06654	1.8
105.07027	22.2
107.08595	37.8
109.10165	26.4
117.07004	2.3
119.07769	3.4
119.08585	41.6
121.10143	34.6
123.11710	12.8
125.12675	1.7
131.08574	16.6
133.10124	23.5
135.11693	23.6
137.13242	12.6
143.08556	6.7
145.10127	25.1
147.11690	28.2
149.13240	18.1
157.10121	4.8
159.11684	20.3
161.13280	12.8
163.07600	2.5
163.14818	8.3
167.07101	3.8
171.11700	4.0
173.13266	15.0
175.14833	11.1
177.16371	9.0
179.14430	2.2
180.08627	4.5
181.04938	1.8
183.11771	3.9
185.13245	8.0
187.14792	17.7
189.16396	13.6
191.17952	94.3
192.18268	2.6
199.14801	11.2
201.16368	49.0
203.14265	4.4
203.17950	21.3
205.19518	7.8
209.08145	1.9
211.14799	2.7
212.63503	1.8
213.16359	13.4
215.17964	4.6
217.19574	10.7
219.17462	5.9
227.18024	4.5
229.19528	3.3
231.17435	2.2
231.21086	3.4
233.15408	3.0
239.17990	2.6
241.19446	5.4
245.15353	2.9
247.16911	8.4
249.14915	6.0
253.19463	4.9
255.21046	4.2
259.16898	8.5
265.17856	2.1
267.21219	2.4
269.22601	3.2
287.20090	8.2
333.20605	2.2
345.23999	2.3
391.33475	16.4
409.34604	30.1
419.33121	2.6
437.34167	100.0
438.34329	5.1
455.35242	75.5
456.35327	4.9
548.08929	2.2
696.91278	2.0
769.36963	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	829.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57964	1.6
61.02927	1.8
67.05500	2.5
69.07071	1.9
72.70824	1.5
73.02903	1.7
79.05488	2.2
81.07066	3.6
86.09702	3.1
91.03941	1.6
91.05499	2.8
93.07052	2.3
95.08611	3.7
97.02885	1.4
107.08571	1.5
184.07373	6.8
380.44897	1.5
743.43335	3.5
783.46277	3.9
811.48572	2.6
829.48920	100.0
830.48956	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.5
63.36365	0.7
64.14881	0.6
67.05507	8.4
68.05840	0.6
69.03421	4.2
69.07064	2.5
70.78976	1.4
73.02924	4.7
79.05491	6.6
81.03435	2.5
81.07059	8.3
83.04994	1.2
83.08620	1.8
85.02911	4.9
86.09738	0.9
91.03949	3.0
91.05475	5.1
93.07043	6.2
95.05001	1.6
95.08606	5.3
97.02914	3.4
97.06564	0.8
97.10176	0.8
98.21806	0.6
101.02390	1.9
105.07047	2.5
107.04990	1.1
107.08569	3.5
109.10146	3.3
117.07027	1.3
119.08622	2.1
121.10147	2.9
125.00064	0.7
127.03957	1.1
131.08594	1.6
133.10185	1.8
135.11702	1.9
147.11703	0.6
149.13278	0.7
175.14967	0.7
184.07304	4.3
185.07643	0.6
243.08347	3.2
331.18814	4.6
335.26016	1.9
336.26025	0.7
387.21722	0.8
389.21619	0.6
519.29248	7.2
529.39093	0.7
530.39752	1.0
549.26685	3.4
575.70178	0.7
706.53149	0.6
809.47589	1.3
827.49176	100.0
828.49469	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	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	0.8
61.02926	7.7
61.39934	0.7
67.05504	12.5
69.03434	4.9
69.07073	2.7
70.19533	2.5
71.04998	0.9
73.02923	6.3
79.05486	8.3
81.03410	3.4
81.07066	9.8
83.04989	3.3
83.08619	1.8
85.02916	7.8
86.09716	4.3
91.03962	4.2
91.05493	7.4
92.05787	0.9
93.07051	9.0
95.04982	0.9
95.08615	7.9
97.02899	6.7
97.10165	1.1
98.20802	0.7
99.04439	1.3
101.02397	2.7
105.07025	4.6
107.04956	1.2
107.08619	4.7
109.02916	1.0
109.06546	0.8
109.10181	2.7
117.07036	1.8
119.08627	2.6
120.08923	0.9
121.10162	3.1
123.11764	0.9
125.00027	2.6
127.03984	1.8
131.08606	3.3
133.10156	2.8
135.11723	1.7
145.10091	1.8
147.08086	0.7
147.11732	1.2
149.13287	0.8
153.64584	0.8
157.10092	0.8
159.11768	1.3
184.07324	9.8
184.08737	0.8
185.04279	1.3
185.07701	1.2
203.05397	0.8
223.79520	0.7
243.08403	3.5
313.17926	1.5
331.18832	5.3
335.26086	1.4
336.25842	0.8
337.27487	1.7
338.27927	1.1
356.82446	0.7
429.28339	0.8
492.45175	0.7
519.29346	10.7
532.41010	0.8
549.26849	2.7
729.41577	1.9
769.44354	0.9
809.48169	9.8
827.49127	100.0
828.49402	5.3
857.55438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.3
67.05492	5.0
69.03435	3.1
69.07086	3.8
69.64543	2.6
71.01343	0.5
71.05008	1.0
73.02927	4.1
79.05496	6.4
81.03429	2.2
81.07061	6.0
83.04986	0.9
83.08604	0.8
85.02904	4.6
86.09731	1.1
91.03947	3.0
91.05472	5.9
91.05900	0.5
93.07028	6.4
95.01324	0.6
95.04984	0.8
95.08603	3.7
97.02890	4.7
97.06538	0.8
99.04442	0.8
101.02387	1.6
105.07032	5.7
107.04959	1.2
107.08606	3.1
109.02929	1.4
109.06528	0.6
109.10162	1.4
113.09664	0.5
117.07044	1.4
119.08588	3.7
121.06532	0.6
121.10161	2.0
125.00027	1.1
127.03924	1.0
129.07014	1.0
131.08591	1.8
133.10126	3.4
135.11734	2.1
143.08548	1.2
145.10168	2.0
147.11732	1.4
149.09628	1.1
153.53032	0.5
156.24480	0.5
157.10179	0.6
159.11777	1.1
161.13339	0.8
163.11270	0.9
171.11728	0.7
177.12819	0.8
179.14362	0.7
184.07361	3.2
185.04253	1.2
185.07655	0.6
185.13124	0.6
203.05315	1.0
243.08429	5.1
244.00963	0.5
255.22102	0.4
259.20673	0.5
275.20297	0.6
301.08823	1.2
313.09164	0.7
315.19360	5.3
329.11951	0.7
371.22189	1.0
385.18423	0.6
465.21335	0.9
495.22208	1.3
533.27338	9.8
535.28741	8.4
605.29480	1.7
827.49152	100.0
828.49316	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	0.9
61.02943	6.4
67.05506	8.6
69.03436	4.5
69.07053	1.5
71.07370	0.9
71.08637	1.0
71.61440	1.2
73.02918	3.5
77.45332	0.8
79.05488	4.8
81.03426	2.3
81.07059	6.9
83.08632	0.9
85.02899	5.0
86.09703	6.0
87.04443	0.8
91.03970	4.2
91.05486	3.0
93.07047	6.0
95.04967	2.9
95.08620	3.5
97.02905	4.8
101.02390	2.4
102.36181	1.0
105.07033	2.7
107.04983	1.0
107.08620	3.4
109.02909	1.6
109.06539	1.9
109.10161	1.8
113.06031	1.2
119.08574	1.8
121.10155	2.1
125.00035	3.8
127.03885	1.3
131.08556	1.4
133.10172	1.7
135.11717	1.1
159.06500	1.0
184.07344	18.2
185.04355	1.2
185.07707	1.0
199.07794	1.0
243.08527	2.5
286.99295	0.9
331.18784	5.6
372.98798	0.9
519.29205	9.0
535.28534	0.9
549.26886	3.9
827.49170	100.0
828.48663	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	825.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.3
67.05505	5.0
69.03438	2.1
69.07069	5.0
70.72725	0.7
71.61597	0.9
73.02931	3.6
73.57419	0.7
79.05491	5.5
81.03412	2.2
81.07055	6.4
83.04996	1.0
85.02905	3.0
86.09702	4.7
87.04488	0.8
91.03960	1.8
91.05475	6.8
93.07022	3.8
95.01344	1.6
95.08587	4.6
97.02896	2.7
97.06551	1.6
97.10178	0.9
101.02384	1.4
105.07034	6.6
107.04973	2.4
107.08596	1.9
109.10169	1.5
111.08102	0.7
117.07001	1.9
119.08588	4.1
120.40945	0.7
124.99992	3.9
131.08615	2.8
133.10132	5.0
141.07025	0.8
145.10123	1.9
147.11673	1.8
149.09686	1.8
159.11749	1.9
161.13197	0.9
179.14307	1.6
184.07329	16.0
185.07666	1.1
243.08516	2.7
259.55252	0.8
261.42181	0.8
261.96320	0.8
264.61755	0.9
275.20090	1.0
313.27710	0.8
315.19275	7.8
371.21936	1.8
533.27209	20.4
825.47522	100.0
826.47974	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	3.1
60.08160	1.3
61.02684	0.9
61.02930	9.1
65.03922	1.2
67.05508	53.8
69.03421	1.5
69.07072	5.0
69.94063	1.4
69.94482	3.3
71.04964	2.2
71.07349	1.3
71.08637	14.1
73.02901	3.1
75.69556	0.8
79.05472	2.4
81.03387	0.8
81.07065	14.0
83.08630	7.3
85.02906	11.1
85.06537	1.3
85.10191	6.8
86.09708	9.1
89.06025	0.9
91.03963	6.6
91.05482	3.0
93.07044	2.5
93.65621	0.9
95.08614	12.7
97.02905	6.1
97.10152	3.0
98.85577	0.8
98.98483	0.9
99.08206	0.8
107.08588	1.7
109.10159	58.1
110.86674	0.9
111.08071	2.1
111.11606	0.8
111.61354	0.8
119.08585	4.5
123.11741	1.6
125.00000	5.2
127.03884	2.8
135.11566	0.9
137.09593	1.6
145.04901	3.1
155.10680	4.8
159.70555	1.0
161.60962	1.0
163.06044	4.0
173.11740	15.8
184.05743	1.8
184.07350	27.1
229.14362	100.0
230.14752	1.1
234.49681	0.9
239.23743	1.2
240.46169	1.1
257.24631	1.4
313.27377	80.0
314.27716	1.4
357.20306	0.8
410.03140	1.2
467.37347	69.8
468.37424	2.1
578.42560	0.9
823.70892	1.1
826.48547	3.0
827.49493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.7
60.22948	1.3
61.02921	4.9
62.93790	1.4
65.03938	4.5
65.91431	1.4
67.05502	100.0
69.03433	9.1
69.07066	28.0
71.04996	4.2
73.02915	3.4
73.06612	1.2
79.05492	85.1
81.03424	10.5
81.07056	92.8
83.04971	15.2
83.08609	13.7
85.02896	8.8
85.06541	3.3
86.09698	2.5
88.66372	1.3
91.05479	73.5
93.07043	90.5
95.04972	9.8
95.08606	61.8
95.09525	1.7
97.02917	8.4
97.06539	9.3
97.10161	5.8
99.04441	1.7
99.08118	4.9
103.05470	2.6
105.04541	3.8
105.07027	59.8
107.04951	3.3
107.08588	39.1
109.02880	1.7
109.06507	5.6
109.10152	28.2
111.04438	2.1
111.08105	6.3
113.05976	1.6
115.05441	2.3
117.07023	19.4
119.08580	48.3
121.06508	3.7
121.10143	37.2
123.08060	4.5
123.11702	6.2
125.09644	2.0
127.03905	6.2
128.06160	2.4
129.05463	4.3
129.06975	8.8
130.07765	2.1
131.08574	31.2
133.09105	1.9
133.10127	36.1
135.08057	3.5
135.11699	21.9
137.09653	2.6
137.13271	2.0
142.07718	1.6
143.08572	10.7
145.10112	24.4
147.11702	26.2
149.09621	5.4
149.13258	13.4
151.11256	1.6
153.09135	1.5
155.08556	2.3
157.10136	11.0
159.11694	20.1
161.13237	17.3
163.11200	3.0
163.14809	4.0
167.08498	1.6
169.10143	4.3
171.11665	9.7
173.13266	13.4
175.11168	1.7
175.14815	7.6
177.12755	2.9
177.16428	1.7
183.11682	3.4
184.07373	5.8
185.13280	6.8
187.11139	1.5
187.14801	4.5
189.16437	1.8
195.13818	2.6
197.13222	1.7
197.91264	1.6
199.14821	5.5
201.16380	3.3
213.16359	2.8
217.15897	2.0
219.13834	1.3
223.14993	2.2
225.16229	1.3
229.19484	2.0
231.21193	2.1
239.17982	3.7
241.19542	11.4
243.21078	2.7
247.20535	1.5
257.18924	6.0
259.20551	25.3
260.21045	1.5
261.22150	9.9
269.17465	3.0
273.18991	1.5
274.17670	1.4
275.20041	10.2
291.19635	2.2
293.21072	6.0
309.20621	1.7
315.23227	3.1
331.22473	1.6
333.24243	23.6
335.25797	86.7
336.26208	5.4
337.27203	2.5
349.23904	7.0
489.35889	4.5
500.33337	1.7
519.41125	2.9
527.36816	1.5
529.38922	17.1
569.42114	8.5
593.45447	6.1
609.45184	3.8
611.46545	19.6
627.45587	4.7
831.50897	1.7
836.55811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.0
63.22915	1.6
65.03939	4.9
67.05506	94.9
69.03428	9.1
69.07066	30.5
70.03701	4.4
70.04106	3.4
71.05002	5.0
73.02946	1.7
75.04521	1.4
75.83610	1.5
77.03953	1.9
79.05495	75.4
81.03426	11.2
81.07059	97.2
83.04980	7.7
83.08618	14.0
84.33961	1.4
85.02914	4.8
85.06551	4.1
89.22965	1.7
91.03963	1.9
91.05482	59.3
91.35430	1.5
93.07046	81.4
94.91526	1.7
95.04978	10.5
95.08610	58.8
97.02899	5.2
97.06536	11.7
97.10172	6.4
98.20788	2.5
99.08067	2.3
105.04524	3.1
105.07035	39.6
105.07748	2.1
107.04961	4.1
107.08601	42.7
109.02844	2.2
109.06523	6.0
109.10155	31.0
111.08109	3.7
115.05436	2.4
117.07029	16.8
119.08586	31.2
121.06506	3.5
121.10153	31.0
123.08072	6.3
123.11729	7.4
125.09639	3.8
127.03902	2.1
127.39709	1.5
129.07007	8.0
131.08566	24.8
133.10138	24.1
135.08051	2.6
135.11700	17.8
137.09628	4.9
139.11165	2.3
141.07053	1.6
143.08575	10.0
145.04971	1.6
145.10136	19.6
147.11693	14.1
149.09636	5.8
149.13292	12.0
151.11116	1.5
157.10144	6.5
159.11707	18.2
161.09644	2.1
161.13242	7.3
163.11235	3.2
163.14825	2.5
165.12743	2.9
169.10167	3.5
171.11690	5.0
173.04443	2.6
173.13199	9.9
175.14874	4.3
176.95743	1.5
177.12688	3.1
183.11781	3.5
184.07349	7.0
185.13237	6.4
187.14888	2.9
189.12781	2.0
195.13788	2.1
197.13272	3.0
199.14857	3.2
201.16371	2.5
203.14320	3.2
207.13809	1.6
211.14676	2.1
217.15825	2.8
219.17484	2.6
227.12842	2.1
229.14404	6.2
239.17952	3.3
243.21101	2.0
255.15907	2.9
257.18985	6.3
261.22125	10.7
267.16010	2.0
269.17456	13.7
275.20081	23.3
283.19058	2.1
291.19464	2.4
293.21118	2.7
309.20563	7.1
317.24762	2.3
331.22729	2.7
335.25806	100.0
336.25751	2.0
349.23669	16.3
351.25272	2.0
367.24844	5.1
456.30585	1.8
489.35733	7.1
498.77036	1.5
515.37292	6.9
529.38953	34.4
530.39569	1.9
543.40045	3.5
569.41962	23.5
570.42072	1.8
606.44849	2.0
609.45209	25.2
627.46210	3.9
825.47290	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09690	4.0
64.12518	3.9
67.05505	56.9
69.07085	18.3
71.36754	8.4
79.05494	55.7
81.07062	54.6
83.04953	4.4
83.08612	8.0
84.04482	4.6
86.09705	12.9
86.79384	3.7
91.05481	68.2
91.06012	7.3
93.07043	62.6
95.04956	8.4
95.08609	53.5
96.91497	4.0
97.06531	6.2
97.10169	6.4
105.07038	56.0
107.08589	31.5
109.10139	16.5
115.05437	5.8
117.07027	33.8
119.08585	44.2
121.10134	20.8
128.06201	6.7
129.07028	21.3
131.08528	31.1
133.10149	32.2
135.11656	14.9
141.06940	6.1
142.07724	5.1
143.08539	24.6
145.10118	28.5
147.11713	21.4
149.13254	5.3
155.08560	12.8
156.49297	3.9
157.10086	17.4
159.11697	22.0
161.13220	9.2
167.08492	5.5
169.10091	17.5
171.11720	16.5
173.13248	13.9
175.14780	5.1
179.08540	3.9
183.11638	15.7
184.07318	29.9
184.38866	4.3
185.13249	9.2
187.14801	7.6
195.11688	11.2
197.13228	10.8
199.14771	6.6
201.16351	6.8
207.11642	4.8
209.13213	8.5
211.14815	7.0
213.16360	5.2
223.14905	8.1
227.17957	5.6
237.16354	7.3
255.17389	4.5
257.18759	4.3
259.20557	7.7
333.24158	9.3
335.26053	4.4
349.25256	4.4
370.38486	3.8
517.40094	12.5
539.36890	6.1
591.44006	9.1
609.45154	100.0
610.45264	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	12.6
57.07078	2.2
58.35130	1.8
60.08191	1.9
61.02926	2.1
65.03937	5.2
67.05508	93.3
69.03424	6.5
69.07071	25.2
70.65546	2.3
70.65901	5.0
71.04984	6.0
71.07367	1.9
79.05495	58.6
81.03422	6.4
81.07058	87.0
83.04983	33.9
83.08642	9.5
83.09042	1.8
85.02915	4.8
85.06554	7.9
86.09703	18.3
91.03968	2.1
91.05482	63.1
93.07048	64.4
93.07619	3.8
95.04958	12.6
95.08609	51.1
95.09224	2.5
97.02919	2.7
97.06525	7.2
97.10188	3.6
99.04464	1.7
99.08082	2.0
105.07034	57.5
105.07752	3.0
107.04951	8.3
107.08598	50.3
109.06551	9.0
109.10162	52.6
109.10912	3.3
111.08109	2.0
117.07033	10.8
119.08593	23.4
121.06548	8.2
121.10133	22.0
123.04423	1.6
123.08057	4.1
123.11700	8.0
125.00003	13.5
125.09600	2.2
128.06181	1.8
129.06979	5.7
131.08572	19.6
133.06503	5.2
133.10133	61.6
135.08060	7.4
135.11717	13.0
137.09605	2.8
143.08583	4.4
145.10115	11.4
147.08064	5.0
147.11702	10.3
149.09618	5.9
149.13263	7.8
151.11183	28.7
155.08582	1.9
157.10083	3.9
159.08055	3.1
159.11684	6.7
161.09647	6.0
161.13274	5.6
163.11301	2.0
169.12276	3.3
171.11684	6.4
173.13295	4.9
175.11273	4.4
177.09174	2.4
177.12671	2.2
184.07349	51.0
185.13251	3.1
187.14783	2.6
197.13162	1.8
199.14792	2.1
215.12730	2.8
243.21077	4.1
245.19002	5.1
253.14357	91.7
255.17448	3.8
257.23276	1.9
259.20566	3.5
261.22174	11.5
263.20041	4.1
273.18521	23.5
277.21469	1.9
288.68817	1.7
291.19559	25.0
317.24704	2.6
333.24307	4.2
335.25812	100.0
336.26196	2.6
347.21884	10.0
352.68710	1.8
365.23215	34.4
417.30170	3.4
513.35614	4.9
517.69208	1.8
529.35535	1.9
531.29254	3.2
531.36774	30.0
543.40289	2.8
607.43634	6.2
625.44659	60.3
626.44897	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	820.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20114	8.4
61.47674	8.5
69.26524	100.0
79.05501	8.4
81.07041	10.7
93.07048	15.4
95.08595	20.5
109.06153	9.8
119.08611	9.2
180.75153	8.4
184.07422	30.9
203.21184	9.4
335.25693	38.1
352.60471	9.5
779.68079	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.2
57.85374	4.2
65.03928	4.2
67.05505	46.7
69.07072	33.4
70.79707	9.5
71.45357	3.4
79.05492	49.6
81.03414	10.2
81.07059	58.8
83.08633	10.3
85.02953	4.1
91.05480	84.4
93.07053	48.8
95.01332	8.1
95.04993	11.3
95.08610	33.8
97.06538	19.7
97.10130	4.2
99.08091	5.4
105.07034	92.1
107.04967	16.6
107.08579	28.0
109.10154	8.8
117.07032	19.3
119.08585	56.5
121.10165	20.3
123.08086	4.4
129.06923	5.9
131.08578	31.4
133.10136	51.5
135.11691	12.8
143.08533	9.3
145.10123	24.1
147.11719	28.1
149.09598	5.9
149.13261	10.2
157.10130	8.0
159.11685	15.9
161.13251	14.8
169.10132	4.4
171.11765	5.6
173.13271	8.8
175.14848	5.7
179.14317	6.0
184.07375	20.4
187.11137	3.9
199.14767	4.5
241.19537	14.9
257.19012	9.1
259.20538	30.6
275.20090	72.8
293.21002	6.5
315.23184	13.2
333.24231	68.5
349.23734	45.4
607.43628	100.0
608.43817	5.4
625.44495	15.3
732.42133	3.9
822.46686	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	817.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.6
57.07064	0.8
67.05505	2.4
69.07072	2.3
69.53095	4.5
79.05502	1.9
81.07056	5.4
83.08635	1.0
91.05483	0.8
93.07019	3.3
95.08607	7.8
97.02881	1.9
99.04391	0.7
105.07055	1.8
107.08596	3.4
109.10167	4.0
119.01061	37.0
119.08579	3.1
121.10147	4.5
123.11721	2.0
131.08575	1.1
133.10164	1.7
135.11714	2.7
137.13297	2.0
145.10172	2.1
147.11661	0.9
149.13307	2.7
157.01105	1.4
161.13239	0.7
163.00000	0.7
163.14876	0.7
173.13469	0.7
175.14935	1.1
181.01114	4.0
185.04225	5.6
186.33450	0.6
189.16483	2.2
191.18016	0.9
199.02126	6.5
201.16409	3.4
203.05247	10.7
203.07018	0.8
203.18010	1.0
205.19539	1.4
212.85403	0.6
215.18047	2.5
217.03194	7.7
217.05109	0.8
243.21202	0.9
311.92831	0.6
319.06326	5.2
333.08047	2.0
343.06641	0.9
361.07397	75.9
362.07919	0.8
379.08444	13.6
451.38959	0.6
585.32751	0.6
655.37921	1.2
817.43396	100.0
818.43591	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	820.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
57.07081	1.1
58.06628	0.4
59.07382	0.2
60.08166	6.5
60.77120	0.1
63.97242	0.1
67.05509	1.8
69.07068	0.6
69.53091	0.3
69.53499	0.8
71.07373	3.7
71.08643	0.8
79.05495	1.0
81.07059	2.1
83.08614	0.6
85.10181	0.4
86.09705	32.3
87.10040	0.3
88.12056	0.2
91.05483	0.7
93.07047	1.1
95.08614	1.2
97.06512	0.2
97.10166	0.5
98.98466	4.2
104.10751	3.1
105.07018	0.6
107.08617	0.7
109.10155	1.2
111.08080	0.2
117.07006	0.3
119.08584	1.5
121.10139	0.4
123.11752	0.2
125.00006	22.0
125.09697	0.2
129.06950	0.2
131.08565	0.4
133.10132	0.4
135.08020	0.2
135.11646	0.3
143.01013	0.2
145.10121	0.4
147.11723	0.2
149.09674	0.1
149.13315	0.1
159.08069	0.3
159.11708	0.4
161.13286	0.2
169.10072	0.1
173.11774	0.2
184.07339	100.0
185.07655	0.6
189.11203	0.3
227.12744	0.4
229.14384	1.2
241.73778	0.2
263.65509	0.1
264.34543	0.2
269.17502	0.4
275.19998	0.7
289.18143	0.2
313.27371	2.6
335.25931	0.7
349.23700	0.6
363.21506	0.4
367.24683	0.3
467.37280	0.9
496.33768	0.3
507.40625	1.2
587.46765	1.0
592.13385	0.2
593.40686	0.2
605.47260	0.4
623.42688	0.6
650.43781	0.4
690.46735	0.4
704.48480	1.3
752.51855	0.3
770.53119	1.5
784.53583	0.2
788.53308	0.6
802.55286	0.3
820.57886	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	814.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	0.5
59.54737	0.3
60.07879	0.3
60.08168	6.4
63.67933	0.3
67.05480	0.5
67.37922	0.2
69.48047	2.0
71.07375	4.0
76.40221	0.2
77.27187	0.2
79.05498	0.4
81.07038	0.8
86.09707	30.2
91.05474	0.3
93.07050	0.5
95.08598	0.3
98.20707	0.6
98.98473	3.7
104.03569	0.2
104.10738	3.0
120.38568	0.3
125.00005	21.7
184.07339	100.0
185.07619	1.0
186.88042	0.3
193.58714	0.2
204.35118	0.2
246.37120	0.2
276.24023	0.2
407.41443	0.3
497.94855	0.3
642.94849	0.3
674.43097	0.4
714.47217	0.7
796.54144	0.6
814.56104	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23643	0.2
58.06628	0.7
59.76949	0.2
60.02907	0.2
60.08168	6.5
62.37366	0.2
67.05506	0.5
69.07077	0.4
71.07375	3.9
71.61945	0.3
76.67448	0.2
79.05490	0.3
81.07056	0.5
86.09707	33.0
87.10044	0.4
91.05485	0.3
93.07061	0.3
95.08627	0.4
98.98463	3.5
104.10741	2.2
107.08621	0.3
125.00007	22.3
126.00430	0.3
127.00433	0.3
135.11728	0.2
139.01495	0.2
143.01102	0.3
164.73285	0.2
166.02654	0.2
168.25278	0.2
184.07343	100.0
185.07735	1.5
186.07779	0.5
334.63156	0.2
373.60190	0.2
698.47980	0.2
726.46375	0.6
780.40637	0.2
780.55164	1.0
796.54504	0.3
814.52484	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
60.08158	6.5
61.02923	6.7
65.03924	0.8
67.05505	6.3
69.03433	4.0
69.07040	1.8
71.01335	0.5
71.07377	3.5
71.61647	0.4
73.02917	4.6
79.05492	4.7
80.60902	0.4
81.03387	1.5
81.07048	6.2
83.08595	0.9
85.02902	6.0
86.09703	29.4
87.04447	0.5
87.09592	0.3
87.10036	2.9
90.18454	0.4
91.03951	3.5
91.05477	4.4
93.06544	0.4
93.07050	5.7
94.53561	0.4
95.04948	0.5
95.08126	0.4
95.08601	4.7
95.60902	0.4
95.61499	0.4
97.02364	0.4
97.02897	5.8
97.06494	0.4
97.10200	0.5
98.98450	3.5
99.04454	0.9
101.02374	2.3
104.10747	2.7
105.07031	3.2
107.08593	2.4
109.02855	1.0
109.10146	2.7
111.21626	0.4
115.03913	0.4
117.07024	1.2
119.08585	2.2
121.10149	2.0
123.08053	0.4
123.11757	0.5
125.00003	21.0
126.00298	1.2
127.03892	1.7
129.05525	0.4
131.08557	0.7
133.10104	1.4
135.11662	1.5
145.10056	0.7
147.11682	1.1
149.13257	0.6
159.11707	0.6
161.13217	0.5
171.11612	0.6
173.13437	0.5
184.07338	91.9
185.04222	1.0
185.07689	9.8
186.07854	0.4
203.05299	0.6
243.08363	2.2
317.20895	0.6
335.25717	0.7
371.16901	0.6
374.68222	0.5
425.21371	0.6
519.29333	9.7
535.28900	3.8
578.79028	0.4
587.39185	0.7
630.47021	0.5
703.44495	0.5
813.51233	100.0
814.51691	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	813.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
57.20737	0.7
58.72470	0.8
60.08159	2.5
61.02929	4.9
61.55592	0.7
67.05512	6.0
69.03428	3.1
69.07065	1.8
73.02912	3.5
79.05497	6.1
81.03432	1.6
81.07070	5.5
83.78722	0.6
85.02908	5.6
86.09700	8.0
87.10062	0.6
91.03957	2.4
91.05500	3.5
93.07049	6.4
95.08606	4.6
97.02907	4.3
98.20772	1.8
98.98468	1.0
99.04450	0.9
101.02371	1.6
105.07044	3.1
107.08604	2.6
109.10154	1.5
119.08580	2.9
121.10174	2.5
125.00018	6.0
127.03909	1.5
131.08609	1.6
133.10168	2.2
135.11766	1.2
143.08751	0.7
147.11720	1.1
159.11690	0.7
161.71945	0.8
184.07349	26.5
184.08963	1.4
185.04236	1.1
185.07729	2.8
243.08463	2.6
296.35413	0.7
301.09097	1.1
352.93759	0.7
479.36923	0.7
492.33810	0.8
519.29333	7.6
535.28937	6.7
550.53168	0.8
689.36230	0.8
813.51251	100.0
814.51398	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	812.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06372	0.2
58.06618	0.4
59.07405	0.2
59.39778	0.2
60.07867	0.4
60.08167	6.4
60.39427	0.1
67.05498	0.3
69.30656	0.2
71.07021	0.3
71.07376	4.1
71.62419	0.2
81.07053	0.3
85.22905	0.2
86.09706	32.0
87.10027	0.4
91.05442	0.2
95.08621	0.3
98.98469	4.0
104.10740	2.6
108.34935	0.2
108.82774	0.2
109.04787	0.2
120.72195	0.2
125.00007	22.9
125.93900	0.2
129.33865	0.2
143.01048	0.2
184.07341	100.0
185.07722	0.8
186.07765	0.2
214.13121	0.2
319.94284	0.2
642.07062	0.2
657.53430	0.3
714.46307	0.2
794.52252	0.7
812.54272	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	813.491
Annotation	Glabrin C
Peak:m/z	Relative Intensity
67.47325	2.2
71.42934	3.8
76.99659	2.4
108.00784	2.5
114.95722	2.5
128.17903	2.2
142.39699	2.0
161.13261	2.7
184.07408	10.5
216.47174	2.3
331.23767	2.6
427.95331	2.3
535.27142	2.4
604.46393	2.5
813.49268	100.0
814.49133	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	811.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.6
58.78991	1.4
61.02922	7.7
62.19679	1.6
67.05496	7.1
69.03421	3.0
69.07048	2.6
70.09766	7.6
70.10071	1.4
71.04977	2.2
73.02900	4.6
79.05492	9.7
81.03410	5.0
81.07067	7.4
83.04940	2.0
85.02882	6.2
91.03967	4.1
91.05465	6.9
93.07034	6.4
95.04940	2.9
95.08578	4.0
97.02879	5.8
101.02337	1.9
105.07027	4.2
106.51431	1.4
107.08580	4.4
109.02817	1.6
109.10144	2.8
119.08563	4.3
121.10123	4.0
127.03973	1.6
129.06987	2.7
133.10130	3.8
147.11661	2.5
149.09595	2.7
156.44054	1.5
171.11688	1.5
175.11292	1.6
185.04111	2.8
193.12308	1.8
216.37279	1.9
243.08356	5.1
283.15079	4.8
301.08795	2.7
309.16772	1.5
315.10513	2.3
323.18216	2.0
441.54086	1.8
465.21063	16.4
469.20786	2.0
501.23050	23.9
529.22394	3.2
551.27557	2.4
573.24768	3.8
629.30890	1.9
695.35883	2.6
707.39929	17.3
708.40906	1.8
713.36804	3.6
725.37177	100.0
726.37451	4.0
765.39606	4.5
793.43677	11.4
811.44373	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
57.07062	3.5
61.02912	2.2
66.18021	0.9
67.05502	12.3
68.58667	0.9
69.03430	2.9
69.07065	11.9
69.45303	1.0
71.61913	1.4
73.02901	1.9
78.87464	0.9
79.05489	7.3
81.03398	1.4
81.06579	1.5
81.07059	30.0
81.15914	0.9
83.08628	6.6
83.15092	0.9
83.61640	0.9
85.02901	14.0
86.09677	1.3
91.05454	5.8
93.07050	20.4
95.01310	2.9
95.08606	51.2
97.02881	4.5
97.10165	6.4
105.07026	14.5
107.08590	27.7
107.63599	1.0
109.10155	36.4
111.11757	1.4
117.07014	1.5
119.08577	23.6
121.10142	32.9
123.11715	19.9
127.03899	3.9
129.06985	1.3
131.08549	4.6
133.10127	17.9
135.11687	24.8
137.13249	12.7
141.01828	12.3
145.04964	6.5
145.10127	12.7
145.43054	1.1
147.11684	14.1
149.13255	29.8
151.07564	1.0
153.09145	2.6
157.10092	1.7
159.02831	1.7
159.11690	5.8
161.13234	9.8
163.06036	3.0
163.14792	8.3
171.11674	2.0
173.13208	6.7
175.11217	1.0
175.14873	7.7
177.16426	5.9
179.10719	2.4
179.17882	2.0
184.07332	2.0
187.14839	5.1
189.16376	29.5
191.17950	44.9
193.12238	1.3
201.16382	38.4
203.17963	37.3
205.19513	38.5
207.17520	1.3
213.16405	2.4
215.17964	17.2
217.19513	9.3
221.15369	1.4
227.17924	1.9
229.19508	1.9
231.21136	3.6
235.16908	6.7
241.19536	3.2
243.08499	1.2
243.21135	4.2
245.22658	4.0
247.16934	25.1
249.18488	6.3
255.21132	2.1
257.22693	2.6
258.59247	1.4
261.18552	11.1
269.22678	2.3
273.18356	1.2
275.20093	1.0
280.10175	0.9
289.21631	3.0
301.21667	1.1
315.23297	1.7
321.07959	1.7
351.30603	1.5
392.11588	1.0
393.30414	1.8
393.35123	15.7
439.35724	100.0
440.36063	4.5
501.23010	1.6
502.22934	1.3
552.27747	1.1
812.44916	23.1
813.44086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.4
60.07872	0.3
60.08165	5.3
67.05496	0.4
67.10665	0.2
71.07377	3.5
71.62175	0.3
73.96933	0.2
74.76311	0.2
79.05494	0.2
81.07046	0.6
86.09703	30.7
87.10036	0.7
96.02450	0.2
98.98466	3.9
104.10741	2.7
105.07037	0.2
112.29656	0.2
116.19725	0.2
125.00002	21.1
180.60933	0.2
184.07335	100.0
185.07690	2.8
186.07767	0.6
217.55557	0.2
321.90442	0.2
596.68237	0.3
692.48120	0.3
774.52301	0.3
792.51483	0.4
810.52869	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	811.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
60.37133	1.2
61.02933	4.8
67.05502	8.3
69.03439	4.6
69.07072	3.5
69.95726	1.1
71.61345	1.8
73.02914	6.4
79.05495	6.4
81.03426	7.3
81.07044	6.6
83.05003	1.9
83.08605	2.4
85.02910	6.8
91.05477	6.9
93.07027	7.7
95.04981	3.8
95.08614	3.4
97.02901	4.4
101.02396	1.9
105.07053	4.6
107.08623	4.2
109.10162	2.3
111.04427	1.4
117.07058	2.3
119.08598	3.8
121.06479	1.7
121.10127	2.6
127.03968	3.3
129.07007	2.0
130.22270	1.2
131.08623	1.3
133.10167	2.8
135.11723	1.5
137.06021	2.1
143.08655	1.5
147.11740	1.8
149.09735	1.9
154.67671	1.2
157.10182	1.2
184.07463	1.9
243.08554	5.4
265.71341	1.4
273.92166	1.2
281.17648	1.8
283.15356	3.0
333.20181	1.8
426.66595	1.5
437.80988	1.4
439.19394	1.6
487.30176	1.6
501.22977	13.9
551.28235	6.6
721.37878	4.3
779.39429	1.3
800.33527	1.5
811.44391	100.0
812.45343	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	808.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.4
58.67892	0.2
60.08164	6.9
60.47476	0.2
67.05502	0.5
67.92577	0.2
71.07371	3.8
71.61881	0.2
71.62226	0.2
74.83791	0.2
81.07053	0.3
86.09707	31.8
87.10040	0.3
93.07048	0.2
95.08653	0.2
98.98467	3.5
104.10746	2.6
109.10171	0.2
125.00005	20.9
131.08624	0.2
147.11578	0.2
165.32698	0.2
177.06418	0.2
184.07341	100.0
185.07668	0.5
337.27182	0.2
343.59698	0.2
547.39771	0.2
642.16913	0.2
650.43542	1.1
690.46722	1.7
754.53363	0.4
772.54926	1.4
790.56061	1.6
808.57495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.3
57.07074	3.3
61.02905	4.1
65.03941	3.7
67.05505	68.9
69.03423	3.6
69.07073	14.4
71.04988	3.7
79.05050	2.8
79.05494	49.4
81.03419	1.5
81.07059	66.4
82.43295	1.2
83.04982	2.6
83.08619	8.8
85.02921	3.6
85.06532	4.3
86.09727	6.8
91.05485	40.9
93.07047	65.4
95.04996	6.8
95.08611	53.0
97.02890	3.2
97.06521	3.8
97.10173	3.5
99.08082	1.7
103.05459	1.3
105.04498	2.1
105.06372	2.7
105.07034	33.6
107.08595	36.7
109.06504	3.6
109.10159	20.2
111.08068	2.6
116.34907	1.3
117.07021	14.7
119.08573	24.4
121.10146	30.1
123.08036	2.9
123.11736	7.1
125.00008	5.8
127.03885	2.0
129.07034	4.3
131.08565	20.0
133.10141	21.9
135.08064	2.0
135.11697	18.9
137.09636	1.6
137.13307	2.1
143.08553	4.3
145.10115	15.3
147.11684	15.1
149.09612	2.6
149.13272	9.6
151.11188	2.6
157.10127	5.5
159.11703	14.8
161.13239	11.7
163.14818	3.3
169.10188	2.0
171.11664	5.9
173.13243	9.2
175.14836	4.2
184.07358	22.6
185.13191	4.4
187.14807	6.4
189.11205	1.4
198.14850	1.5
199.14760	3.1
201.16302	2.2
203.14236	1.3
205.15938	3.3
213.16408	2.5
231.21133	2.3
241.19501	10.3
243.21164	2.1
257.19049	2.6
259.20593	23.4
261.22202	7.1
277.21649	16.8
315.23294	1.9
317.24606	2.1
333.24240	16.0
335.25803	100.0
336.25964	3.6
337.27039	1.9
351.25302	31.8
489.35727	1.5
529.38678	3.6
593.45203	3.2
611.46667	31.2
612.47180	1.7
808.51910	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	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.6
57.07068	7.2
58.48811	3.0
65.03931	5.8
67.05503	92.6
69.03441	3.2
69.07082	28.4
71.05005	6.3
79.05492	87.6
79.63363	3.2
79.84746	3.4
81.07059	100.0
83.08612	15.9
83.93282	3.1
86.09708	20.9
91.05474	74.4
93.07044	95.3
95.04959	9.9
95.08600	79.2
97.06541	6.9
97.10118	4.6
98.20718	9.1
99.08086	3.9
105.07028	73.1
107.08586	48.3
109.06538	4.8
109.10147	27.7
117.07014	25.3
119.08576	51.5
121.10133	34.3
121.55238	3.4
122.27269	3.0
123.08094	3.7
123.11695	8.0
125.00001	15.3
129.07033	12.7
131.08574	29.6
133.10129	48.8
135.08089	3.9
135.11705	34.0
136.20045	3.1
143.08572	17.2
145.10135	36.6
147.11678	41.2
148.12140	3.7
149.13239	11.8
157.10164	13.1
159.11707	27.7
161.13260	29.2
163.11205	4.0
165.12749	3.3
169.10086	4.2
171.11684	11.8
173.13246	14.9
175.14851	15.3
183.11685	7.4
184.07367	49.9
185.07707	8.4
185.13229	12.4
187.14879	9.4
197.13307	4.8
199.14806	8.8
215.17990	5.2
229.19363	5.9
231.21193	6.6
241.19513	21.5
243.21211	3.5
257.18982	7.8
259.20547	56.8
261.22211	11.6
315.23495	4.4
333.24219	38.6
335.21964	5.6
335.25815	82.9
336.26260	6.2
337.27383	5.2
489.36469	4.5
593.45624	16.2
611.46674	42.2
625.44159	4.4
643.49164	3.8
749.42981	6.5
808.53308	5.2
809.49536	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.7
63.27782	4.9
65.03934	6.4
67.05164	7.1
67.05505	90.5
69.07071	27.8
70.63014	5.0
71.27641	12.7
75.82992	5.4
79.05489	86.0
81.07058	100.0
83.08617	11.2
85.02920	7.5
86.09695	12.2
91.05476	83.9
93.07052	96.3
93.33217	5.6
95.04977	6.2
95.08613	82.7
97.06546	6.7
97.10168	7.1
105.07037	72.5
107.08604	50.9
109.10132	28.8
117.06986	27.7
119.08586	51.1
121.10150	39.1
123.11758	7.5
125.00002	11.0
129.07002	15.9
131.08577	34.2
133.10155	47.7
135.11687	24.8
143.08501	13.2
145.10118	27.5
147.11710	45.3
149.13266	15.5
157.10135	9.0
159.11659	21.8
161.13293	24.1
163.14809	11.7
169.10126	7.4
171.11720	9.5
173.13240	12.8
175.14873	13.0
183.11546	5.8
184.07324	42.9
185.13284	13.6
187.14790	7.0
231.21080	7.0
241.19592	26.8
257.19272	5.8
259.20541	54.8
261.22229	12.6
315.23285	10.2
333.24161	48.6
335.25812	92.0
442.01688	6.0
457.58676	6.3
519.42053	6.1
567.27094	6.4
574.64545	5.6
593.45782	11.7
605.63843	5.2
611.46710	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	806.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
61.02919	6.1
67.05505	36.3
69.07064	8.1
71.52929	4.0
79.05486	25.1
81.07050	37.0
83.08610	8.3
85.59081	3.6
89.98802	3.1
90.16518	2.8
91.03969	4.2
91.05467	18.2
93.07043	27.6
95.08607	30.3
97.10201	5.2
105.07028	8.9
107.08602	20.0
109.10155	12.2
109.70983	3.2
119.08566	9.0
121.10140	11.6
123.11716	4.0
124.99961	3.8
131.08569	8.1
133.10117	6.6
135.11690	12.2
137.13333	2.8
145.10136	4.7
147.11685	5.3
149.13240	7.7
159.11681	6.6
161.13202	4.4
173.13358	3.1
174.64215	3.4
175.14902	3.7
184.07349	6.9
201.74924	3.0
209.07166	3.2
241.53059	3.0
261.22168	13.4
291.03284	3.2
333.24109	3.5
335.25812	100.0
337.27518	5.5
595.47375	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.6
59.04984	7.1
61.02916	8.7
63.49338	4.6
64.22623	4.9
65.03901	5.6
67.05506	92.9
69.03436	5.7
69.07068	33.7
71.04975	13.8
74.48185	4.3
79.05502	84.3
81.03419	100.0
81.07062	89.2
83.04965	16.8
83.08620	30.3
85.02901	8.1
91.05479	82.5
93.07052	71.5
95.04967	42.3
95.08604	44.2
97.02879	10.0
97.06522	16.5
97.10139	19.4
98.20702	10.8
99.08095	7.5
105.07027	77.3
107.04950	17.5
107.08600	44.2
109.06496	9.0
109.10147	40.3
111.08072	8.5
117.07028	32.0
119.08591	45.7
121.06501	10.1
121.10149	26.0
123.08080	11.6
123.11701	9.0
125.09639	11.4
128.06236	7.4
129.07007	25.8
131.08572	39.8
133.06378	7.0
133.10114	42.0
135.08083	6.7
135.11646	9.2
141.07007	7.3
143.08548	10.3
145.10156	25.2
147.11714	29.8
147.61299	4.9
149.09598	14.7
149.13226	8.3
155.08569	8.4
157.10081	26.2
159.11697	21.4
161.09619	5.2
161.13248	11.0
163.11165	9.7
169.10078	8.7
171.11716	10.3
173.11739	8.0
173.13254	11.6
175.11179	12.8
177.12788	7.7
183.11737	9.2
184.07391	12.4
189.11185	8.3
193.12230	21.4
217.15742	5.3
227.12798	9.3
229.14378	10.4
229.31490	5.7
259.20740	8.9
267.15912	58.8
269.17355	8.4
275.20145	9.6
291.19519	6.5
299.23605	7.4
333.24472	6.2
349.23492	7.2
369.24481	4.8
421.25757	10.7
461.29260	28.9
525.35583	27.0
541.35254	8.9
543.36658	54.2
557.38422	7.0
559.36157	8.3
807.38892	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	805.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83443	0.3
67.05508	0.7
69.03436	0.3
69.07051	0.5
71.33855	0.7
79.05461	0.4
81.07069	0.9
83.04946	0.3
85.02920	1.1
91.05503	0.4
93.07059	0.8
95.05001	0.4
95.08623	1.1
97.02881	0.5
102.49026	0.3
105.07018	0.6
107.08613	0.5
109.10188	1.0
110.97659	0.3
114.99239	0.3
119.08590	0.8
121.10191	0.5
133.10211	0.5
135.11740	0.5
137.06029	0.4
145.10210	0.6
146.83339	0.4
161.09564	0.3
165.09074	0.5
167.07123	0.7
167.78099	0.3
172.42357	0.4
175.71379	0.4
179.05116	0.3
192.97052	0.3
203.05278	3.9
220.92593	0.4
301.47507	0.4
317.08405	7.5
329.36050	0.4
335.09412	3.0
449.77631	0.4
493.32059	0.4
511.34048	1.2
643.38306	0.8
761.44458	0.6
805.43427	100.0
806.43634	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	805.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.9
61.02906	0.4
67.05505	1.6
69.03415	0.8
69.07073	0.5
71.05008	0.7
71.20513	0.7
73.51115	0.4
79.05509	0.9
81.03421	0.5
81.07059	2.8
85.02907	1.6
91.05477	2.3
93.07050	1.4
95.08621	2.8
97.02921	0.6
98.97590	1.4
105.07030	3.8
107.08604	1.8
109.06610	0.4
109.10153	2.3
110.97591	1.1
115.37363	0.4
116.98624	0.5
119.08591	2.5
121.10194	0.9
121.40063	0.4
123.11719	1.0
128.98639	1.2
133.10136	0.7
147.11711	2.9
150.99899	0.4
161.01180	0.5
161.13307	1.4
167.07042	0.5
170.99736	0.8
172.27057	0.4
179.07047	0.4
189.00755	0.6
203.05257	3.9
203.17979	3.4
214.84308	0.4
219.01801	1.2
231.01750	0.5
233.59216	0.4
237.02859	0.9
247.54865	0.4
286.99258	0.4
291.03906	0.5
317.08463	7.9
335.09497	2.9
351.06335	0.5
419.16498	0.5
511.34558	0.5
529.64386	0.4
643.38123	0.6
805.43427	100.0
806.43768	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	805.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
61.02920	0.9
63.17622	0.6
65.03941	5.1
67.05492	2.3
68.25075	0.6
69.03430	4.5
69.68942	3.5
69.69352	1.3
71.04994	1.1
73.02908	1.2
78.04714	4.0
79.05514	3.6
81.03384	2.5
81.07025	0.9
82.04176	1.9
83.77010	0.7
85.02905	6.5
89.03928	1.0
91.04933	1.0
91.05466	5.8
93.03391	1.7
93.07040	1.4
95.04980	3.2
97.02892	1.4
97.06522	1.0
98.97548	1.1
103.05479	4.8
105.03401	0.9
105.07012	1.5
106.04163	2.5
107.04961	4.8
110.03663	1.8
111.04457	1.0
115.05444	8.6
117.03386	1.1
117.07017	10.7
119.04944	1.2
119.08601	0.9
121.06487	2.8
123.04416	9.9
124.05200	2.8
125.05986	0.9
127.03871	0.9
127.05407	1.6
131.04944	2.6
132.05760	1.0
133.10120	0.8
134.03635	1.0
135.04405	1.2
137.05978	4.0
137.09576	1.4
138.03133	0.9
140.04643	1.4
142.02614	1.7
143.04929	1.4
145.06477	14.2
147.08025	1.7
148.05193	1.7
149.06006	3.8
151.03888	2.4
151.07549	2.0
152.04695	2.3
153.05453	2.8
155.04910	1.3
155.06024	6.3
155.07048	1.0
156.05783	0.7
159.04399	1.8
160.05185	0.8
161.05965	2.0
163.03897	3.5
163.07442	0.7
165.05464	1.3
167.07036	100.0
168.07368	1.4
171.06544	3.1
172.05167	0.8
173.05975	20.8
173.12250	0.7
175.07585	2.5
176.04700	0.8
177.05528	4.2
179.06978	1.0
181.04947	78.5
188.04735	0.8
189.05420	0.9
190.06085	0.7
191.07121	3.6
191.10614	0.9
191.14301	1.3
193.08624	1.3
195.06537	2.0
201.05495	2.8
203.07018	6.1
205.06723	1.1
205.08577	7.8
207.06496	1.1
207.10068	0.7
209.08076	4.3
209.15410	0.8
217.08612	1.4
218.92815	0.7
219.06480	2.5
220.07356	0.7
222.06844	0.9
231.06496	1.9
233.08078	11.0
234.08865	2.8
235.09616	8.0
247.07622	0.9
249.02783	0.9
250.06169	1.0
261.07321	0.8
263.07120	0.9
265.08743	1.8
267.06503	1.0
282.08780	1.0
293.08084	1.9
295.09628	0.7
297.11316	2.6
310.08350	2.4
323.09155	0.8
325.10672	2.6
326.11444	1.4
329.13617	0.9
341.10062	1.2
353.10300	1.2
357.13318	9.8
367.11954	1.4
385.12811	42.9
386.13461	1.8
387.14328	5.0
397.12894	4.9
399.14310	1.0
403.13858	6.0
415.13885	7.2
416.14545	4.5
417.15417	12.0
577.18866	1.1
643.23798	43.3
644.23804	2.8
805.28912	10.1
806.29199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
61.02926	0.8
65.03938	5.1
66.33870	0.5
67.05510	1.3
68.99783	0.5
69.03426	5.6
71.04980	0.6
73.02898	1.0
78.04692	3.4
79.05489	2.6
81.03417	2.4
81.07045	1.1
82.04202	2.1
85.02903	9.5
87.20031	0.5
89.03916	0.6
91.05492	4.8
93.03402	2.0
93.07050	1.6
95.04979	3.5
97.02882	2.2
97.06524	1.4
98.97612	0.6
103.05470	4.2
105.03359	0.6
105.07008	1.5
106.04178	2.2
107.04948	6.3
107.08576	0.6
109.02885	0.9
110.03670	2.4
111.04438	1.3
115.05436	6.3
116.46702	0.5
117.03401	0.5
117.07024	8.6
119.04925	1.2
119.08585	0.6
121.06490	3.7
123.04411	8.3
124.05219	3.1
125.05975	1.6
127.03944	0.8
127.05428	1.5
129.07025	0.8
130.04123	0.6
131.04921	3.8
133.06544	1.0
134.03667	1.0
135.04428	1.1
137.05983	3.2
138.03119	1.3
140.04703	0.8
142.02603	1.5
143.04913	1.2
144.05730	1.0
145.05302	0.5
145.06476	12.5
145.07610	0.7
147.04393	1.5
147.07986	1.3
148.05199	0.9
149.05981	4.1
151.03914	2.1
151.07526	2.2
152.04642	2.1
152.65717	0.5
153.05473	1.5
155.06044	5.6
155.07150	0.8
157.06514	0.6
159.04427	2.0
160.05193	1.7
161.06001	2.4
163.03902	2.4
165.05527	1.2
167.07042	100.0
168.07439	1.1
171.06555	3.0
173.05981	20.7
174.06676	0.6
175.07492	3.1
176.04680	0.7
177.05464	5.5
179.07027	1.0
181.04958	83.3
182.05208	1.1
188.04655	0.7
189.09111	1.0
191.07053	3.6
193.08582	0.9
195.06508	1.4
201.05473	2.4
201.24214	0.5
203.07071	5.0
205.06772	0.8
205.08626	8.1
209.08076	4.0
217.08713	1.5
218.05664	0.7
219.06502	2.4
219.08308	0.7
221.06140	0.7
221.08131	1.9
231.06566	1.6
233.08058	8.9
234.08968	3.1
235.07487	1.0
235.09625	9.0
237.09125	0.8
249.05431	1.1
249.07744	0.9
250.06279	1.3
251.07170	0.7
254.09470	0.7
263.06937	0.6
265.08618	1.8
267.06564	0.7
267.10071	0.9
281.08051	1.1
282.08997	0.8
283.09683	0.9
293.08051	1.8
295.09595	0.7
297.11197	1.9
299.09131	0.8
307.09705	0.7
309.07465	1.2
310.08258	2.5
311.09012	1.0
319.11603	0.9
323.08835	0.8
325.10501	3.2
326.11536	1.8
329.13712	1.4
341.10239	1.0
342.10812	1.0
353.10080	1.3
355.11707	1.1
357.13333	10.9
367.11902	0.9
385.12814	41.7
386.13379	1.8
387.14316	6.3
397.12866	3.6
399.14307	1.1
403.13794	8.7
415.13821	7.9
416.14441	3.2
417.15463	13.4
559.16748	0.6
577.19421	1.7
595.20520	1.6
609.11670	0.7
628.36487	0.6
643.23846	26.6
644.24164	1.5
739.47382	0.7
805.15936	0.9
805.29327	16.1
805.44250	0.8
806.29285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01154	0.6
67.05515	0.5
69.07058	0.7
71.61452	0.7
74.06098	0.6
81.07053	0.9
83.01117	0.6
85.02910	0.9
91.05524	0.8
93.07042	0.5
95.01095	1.8
95.08587	1.0
97.06553	1.8
98.97613	0.7
103.05478	0.5
113.02145	1.8
121.06529	0.8
135.08122	0.7
137.05977	1.5
137.09647	0.9
147.04523	0.6
151.07605	2.1
165.09085	3.2
167.07034	3.5
175.03798	0.6
175.07619	0.7
181.05014	0.8
185.04221	3.5
189.05220	11.6
193.08679	1.5
201.03662	0.9
201.05406	0.7
202.06042	2.3
203.05225	5.6
203.06737	1.1
204.07594	0.6
216.07643	3.3
217.08458	1.8
219.06316	3.6
233.07834	12.5
233.10007	0.8
234.08618	26.5
235.09331	1.4
247.09396	9.5
247.11684	0.8
277.10669	0.8
295.05969	0.6
302.47836	0.6
323.05304	0.7
333.04120	0.6
351.11786	0.5
365.13489	1.8
381.12723	0.9
395.14896	1.3
413.15796	1.1
419.11227	3.6
429.15244	1.3
444.17841	2.1
445.18390	3.4
561.19507	2.3
575.20935	7.9
593.23517	6.8
623.24695	1.3
645.51038	0.6
803.30896	100.0
804.31525	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	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	16.7
57.06819	2.2
57.07079	36.5
60.08152	2.4
61.02913	3.7
65.03926	1.9
67.05505	56.1
69.03431	6.7
69.07071	23.0
71.04989	3.5
71.08631	37.7
71.08951	0.8
71.09030	1.4
79.05495	34.5
81.03425	9.4
81.07059	62.3
83.04984	10.1
83.08622	18.0
85.02896	4.9
85.06554	2.1
85.10181	17.3
86.09724	8.5
90.96131	1.2
91.03955	1.9
91.05486	30.4
91.06058	1.7
93.07048	39.0
95.04964	5.7
95.08606	51.5
97.02887	5.6
97.06538	12.1
97.10171	9.9
98.20742	4.7
99.04461	1.6
99.08147	2.2
103.07589	1.8
105.07040	26.6
105.07746	1.9
107.04991	6.7
107.08601	24.4
109.02921	1.8
109.06525	5.0
109.10163	19.3
111.04478	2.1
111.08086	4.6
111.11759	2.2
115.05439	2.9
117.07018	12.3
119.08585	17.2
121.06519	3.3
121.10142	10.1
123.08083	2.5
123.11703	6.8
124.99987	7.8
125.09631	3.5
127.03899	2.6
129.07010	4.5
131.08578	16.4
133.06448	1.4
133.10141	17.2
135.08049	3.9
135.11713	13.4
137.09654	1.8
137.13242	2.0
142.07820	1.4
143.08540	2.8
145.10117	12.2
147.11699	7.6
149.09610	8.2
149.13292	9.6
151.11163	1.5
155.08572	2.9
157.10095	3.0
159.11705	9.9
161.13211	2.6
163.11179	6.4
169.10193	1.7
171.11800	1.7
173.04424	1.8
173.11812	1.7
173.13232	4.0
175.11220	2.1
177.12732	5.6
179.14325	2.0
184.07339	31.7
185.07727	1.4
185.13257	2.2
195.13855	5.0
217.15953	3.5
227.12799	4.2
229.14360	2.0
229.19434	1.6
239.17908	2.0
239.23694	4.4
244.50716	1.5
247.20538	2.5
255.15912	13.1
257.19016	8.7
257.24738	1.8
269.15091	1.0
269.17505	30.1
275.20059	30.4
285.14709	1.5
291.19498	2.9
293.21118	3.4
294.85352	1.5
307.38742	1.2
313.27356	100.0
314.27664	3.8
317.66400	1.4
331.22687	2.9
349.23737	29.2
367.24838	3.5
413.21689	2.4
467.37357	1.7
493.32501	1.9
493.38895	19.6
507.40463	83.0
508.40567	4.5
531.09686	1.4
547.43292	6.5
587.46765	26.3
605.47888	7.6
614.44165	1.4
680.35681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
58.06634	0.4
58.77880	0.1
59.07405	0.2
60.08165	6.7
61.08471	0.1
66.73149	0.1
67.05500	0.2
69.25548	0.6
69.25974	0.6
70.06609	0.1
71.07373	4.1
76.38694	0.1
79.05508	0.2
81.07063	0.2
84.55986	0.1
86.09707	32.7
87.10040	0.3
91.05506	0.1
91.90812	0.1
93.07029	0.2
95.08618	0.1
98.98463	4.2
104.10741	2.4
109.10157	0.1
122.14497	0.1
125.00007	22.6
143.01027	0.2
166.02687	0.1
172.56631	0.1
184.07341	100.0
185.07678	1.0
186.07735	0.2
303.94144	0.1
412.77078	0.1
759.25769	0.1
780.41650	0.2
780.55273	3.2
781.55634	0.2
798.57971	0.4
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
57.03423	1.6
59.72513	1.1
60.46410	0.8
61.02926	6.6
67.05505	7.2
69.03432	3.1
69.07068	2.9
69.60296	0.7
70.78122	0.7
71.61322	0.9
71.61684	0.9
73.02914	4.1
78.67261	0.9
79.05498	5.2
81.03436	1.8
81.07072	7.7
83.08628	1.8
85.02911	6.8
88.32486	0.9
91.03970	4.2
91.05490	2.2
93.07050	4.8
95.08601	5.0
97.02898	5.8
99.04448	1.5
101.02425	1.6
105.07076	1.7
107.08604	2.1
109.02894	1.2
109.10188	2.5
115.03960	1.6
119.08596	1.1
121.10149	2.5
121.56547	0.8
123.11719	1.3
127.03896	1.7
184.07423	3.0
185.04320	0.9
243.08498	2.5
255.70427	0.9
353.70081	0.9
519.29358	7.6
521.30927	8.7
553.11273	1.0
554.60779	0.8
799.53320	100.0
800.54175	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
58.06363	0.2
58.06627	0.5
60.06311	0.2
60.08165	6.4
67.05503	0.5
71.07376	3.4
71.35194	0.2
79.05485	0.3
81.07073	0.4
86.09708	30.3
87.10041	0.4
87.22020	0.2
93.07035	0.2
95.08626	0.4
98.20647	0.2
98.98470	3.2
104.10738	2.2
105.07013	0.2
111.87132	0.2
119.08617	0.3
125.00008	20.6
132.71411	0.2
143.01068	0.2
184.07343	100.0
185.07716	1.7
186.07817	0.4
277.86768	0.2
321.29187	0.2
502.46713	0.2
516.30957	0.3
581.43695	0.2
588.25146	0.2
663.67340	0.2
694.64899	0.2
738.76233	0.2
757.63916	0.2
778.53766	2.9
779.54822	0.2
796.51935	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	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
58.53939	0.4
61.02928	6.4
65.03944	0.6
67.05505	7.4
69.03440	4.3
69.07066	1.6
70.65997	1.1
71.01347	0.7
71.05011	0.9
73.02922	4.7
79.05499	4.8
81.03418	2.0
81.07053	5.9
85.02907	7.2
87.04465	0.7
87.15386	0.5
91.03962	4.2
91.05465	2.4
93.07045	4.6
95.04916	0.6
95.08607	4.4
95.52516	0.5
97.02892	6.0
101.02381	2.7
105.07042	2.0
107.08563	2.6
109.02919	1.0
109.10159	1.9
119.08602	1.4
121.10162	2.5
125.00027	0.6
127.03934	1.1
129.29773	0.4
131.01404	0.4
131.08612	0.9
133.10168	0.7
135.11665	0.8
145.10175	0.6
147.11736	0.7
149.13298	0.5
184.07397	1.8
218.27148	0.5
243.08549	1.8
252.29515	0.5
335.25751	0.8
347.39819	0.5
358.08878	0.4
454.62708	0.6
519.29303	16.3
520.29657	0.8
536.26434	0.5
767.85376	0.5
797.51740	100.0
798.51990	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	795.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.2
67.05495	2.8
71.62274	1.6
79.05484	1.3
81.07053	1.1
85.02915	1.3
86.09718	2.2
87.04483	2.4
95.08619	2.1
96.55046	1.1
109.10162	1.6
110.26398	1.1
119.08604	1.0
125.00008	2.2
133.10138	1.2
138.98567	1.0
152.21501	1.0
184.07309	7.4
207.24234	0.9
223.57964	1.1
519.29822	1.2
664.11285	1.2
691.40283	13.6
692.41309	1.3
795.42853	100.0
796.43408	5.1
826.12903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.9
57.03436	2.7
58.52021	1.0
61.02917	5.0
67.05497	4.1
69.03436	2.9
69.07092	1.2
69.79238	4.4
71.04987	2.0
73.02930	3.6
79.05498	3.9
81.03436	2.9
81.07069	6.0
83.04996	1.1
85.02908	5.5
91.03967	2.8
91.05485	4.7
93.07043	4.9
95.04988	1.4
95.08625	4.0
97.02892	5.0
98.21541	0.9
101.02409	1.7
105.07053	4.1
107.08631	2.3
109.10163	0.9
119.08617	3.3
121.10161	3.0
127.03955	1.5
129.07040	1.0
131.08607	2.8
133.10170	2.8
145.10199	1.1
147.11734	2.2
149.09697	1.6
152.40402	0.9
157.10159	1.1
161.13333	1.0
163.95193	1.0
173.13232	1.0
184.07324	0.9
185.04276	1.2
202.13821	1.0
236.41954	0.8
243.08359	4.3
267.15671	1.0
283.15100	4.2
352.53537	0.8
501.23187	10.9
502.07559	1.1
535.28778	8.1
573.25226	1.8
657.34613	1.2
705.38275	2.1
709.33014	2.6
749.38342	1.1
782.94183	1.0
795.45032	100.0
796.44702	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	795.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.1
61.02925	6.1
67.05503	5.4
69.03426	3.6
69.07087	2.8
69.46561	11.5
73.02934	4.4
79.05499	6.1
81.03419	5.4
81.07065	4.9
83.01110	2.1
83.04985	2.8
83.08661	1.6
85.02911	9.3
86.09691	1.6
91.03979	4.7
91.05498	5.3
93.07059	5.6
95.04989	2.8
97.02879	7.0
97.06511	1.6
98.20678	2.4
101.02359	2.3
105.07063	3.5
107.04941	1.8
107.08593	2.1
109.06602	1.4
119.08594	2.6
121.10225	1.7
127.03960	4.0
129.05475	2.6
131.36574	1.4
135.11682	2.0
145.04988	1.7
145.10106	1.9
162.12656	1.3
162.14122	1.7
175.11169	1.8
184.07349	3.3
185.04292	5.5
193.12257	1.7
214.54260	1.3
222.95660	1.5
228.56793	1.3
243.08452	7.2
251.12769	2.3
301.09009	15.3
315.10345	3.4
333.20309	3.4
349.16397	1.9
371.17010	1.5
373.11279	4.3
373.24121	1.5
385.18210	8.8
413.18103	2.2
429.17252	2.3
431.24292	2.3
433.25742	2.2
439.19708	4.4
443.18854	4.0
469.20517	17.4
477.24747	3.4
481.20459	2.8
485.19711	2.5
499.21768	1.9
528.21918	3.3
535.28845	1.9
541.22516	7.5
545.13458	1.6
551.28723	7.0
583.29449	1.7
612.31305	2.7
623.30261	5.5
625.31635	2.0
641.31781	4.8
655.35052	2.3
667.33215	6.2
693.38696	3.2
709.33990	27.0
777.40265	4.6
795.41357	100.0
796.41870	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	795.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
60.69104	0.9
61.02925	5.5
67.05505	8.1
69.03423	4.4
69.07054	3.7
71.01358	0.8
71.04989	2.8
71.34414	1.4
71.34768	0.7
73.02909	4.0
79.05505	6.4
81.03437	4.0
81.07052	6.3
83.04992	2.9
83.08630	2.4
84.08422	0.7
85.02913	9.1
86.09706	1.1
91.03975	2.1
91.05478	5.1
91.39125	0.7
93.07046	7.8
95.04967	2.5
95.08586	4.5
97.02908	4.5
97.06550	2.5
97.10197	1.1
99.04492	1.3
101.02386	1.9
105.07019	3.9
107.04984	1.8
107.08592	4.9
109.02881	1.5
109.06497	1.0
109.10187	3.1
111.04469	1.0
111.08064	1.3
117.07016	1.8
119.08610	4.2
121.10178	2.8
123.08117	1.2
123.11723	1.3
125.09605	0.8
127.03945	1.3
129.05492	1.3
129.06999	0.9
131.08556	1.5
133.10158	2.5
135.11725	3.6
136.12041	1.0
137.05894	0.8
145.10173	2.5
147.11761	2.2
149.13300	1.0
157.10158	0.8
159.11742	1.5
163.11198	1.1
167.07095	1.0
173.13347	1.0
175.14853	1.0
184.07390	2.2
191.18047	2.5
201.16409	1.5
203.05338	0.9
243.08530	3.1
251.13013	0.7
255.16109	2.1
256.16470	1.5
269.12479	0.8
348.15256	1.1
349.20053	3.2
350.77234	0.7
351.21594	1.3
379.33282	0.9
382.20691	0.9
392.34225	0.9
409.34711	0.8
435.27716	2.2
436.27811	5.1
437.34164	1.0
438.34641	1.0
467.18954	5.2
469.20642	3.2
567.27991	2.4
569.29102	3.8
569.61389	1.0
576.55316	0.8
795.41351	100.0
796.42188	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	794.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87743	0.2
56.05034	1.0
57.07082	0.2
58.06593	0.3
60.08164	6.7
67.05510	0.5
69.07066	0.2
69.54381	1.1
71.07374	4.1
72.08150	0.2
78.91393	0.1
79.05505	0.3
81.07062	0.4
86.09704	31.4
86.43542	0.2
87.04462	0.6
87.10011	0.2
91.05447	0.2
93.07050	0.4
95.08606	0.4
98.21465	0.3
98.98460	3.6
104.10741	3.0
105.07019	0.3
107.08640	0.2
109.10141	0.2
116.99503	0.2
125.00002	21.4
143.01056	0.2
166.02690	0.2
184.07335	100.0
185.07715	0.9
318.40845	0.2
735.43835	0.2
794.53497	3.2
795.52435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.7
57.07067	5.9
61.02905	2.8
62.15846	1.9
65.03921	3.9
67.05506	90.9
69.03449	2.2
69.06719	2.1
69.07069	30.8
71.04996	2.6
71.08622	2.7
71.57885	2.5
73.46285	1.7
73.91313	2.1
77.31075	1.8
79.05052	2.7
79.05488	41.7
81.07057	100.0
83.04984	3.6
83.08604	19.2
85.02900	4.6
85.06559	2.1
87.04449	4.9
91.05479	28.2
93.07047	49.1
95.08608	67.8
97.02901	2.8
97.06524	5.8
97.10175	11.1
99.08076	3.2
105.07034	21.7
107.08588	27.3
109.10154	30.6
111.08045	3.9
111.11698	3.1
117.07018	5.3
118.76020	1.8
119.08590	14.7
121.10145	24.3
123.11697	14.7
127.19181	1.9
129.06987	2.5
131.08574	8.5
133.10135	14.2
135.11690	14.0
137.13277	3.3
141.62003	1.8
145.10100	9.8
147.11664	11.8
149.13242	10.1
151.14847	2.3
157.10150	2.2
159.11705	8.2
161.13240	7.6
163.14825	5.8
173.13219	5.5
175.14748	2.2
177.16446	2.3
181.15831	1.9
181.66934	2.0
183.36534	2.0
184.07310	3.4
187.14777	1.9
189.16359	2.4
201.16272	3.3
243.21106	5.3
245.22641	3.3
259.20529	5.1
261.22134	22.2
263.23605	6.6
277.21436	2.1
317.24634	4.8
333.24332	3.6
335.25793	91.6
335.58405	2.1
336.26086	2.7
337.27359	99.2
338.27588	2.5
339.28909	6.4
501.76901	2.7
517.02380	1.8
523.44501	4.5
541.46021	2.4
578.93036	2.7
597.48663	35.3
615.49829	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51584	1.0
57.03440	2.6
61.02919	5.2
67.05515	6.1
69.03438	2.9
69.07072	4.0
71.62317	1.4
73.02924	4.1
77.57114	0.9
79.05489	4.6
81.03415	5.0
81.07063	5.6
82.70830	0.8
83.08611	1.8
85.02914	4.3
91.03972	2.8
91.05469	7.8
93.07040	4.5
95.01336	1.1
95.05015	1.1
95.08611	2.8
97.02908	3.9
99.04447	1.0
101.02340	1.5
101.96585	0.9
105.07032	5.8
107.04977	1.6
107.08616	3.8
109.10186	2.0
114.16029	0.9
117.07052	0.9
119.08609	4.2
121.06598	1.0
121.10154	2.0
123.04482	1.2
127.03951	1.9
129.07060	1.2
131.08591	2.3
133.10161	3.3
147.11655	2.0
147.67368	1.0
149.09618	1.9
157.10153	1.4
175.11157	1.4
177.12677	0.9
184.07419	1.5
185.04233	1.1
193.12219	1.4
222.51131	0.9
243.08568	3.6
283.15231	1.7
301.08890	1.5
307.15689	1.0
315.19510	3.4
323.14108	0.9
371.21902	1.1
373.48813	1.2
385.18637	1.5
417.63226	0.9
458.39285	1.1
469.21204	1.1
501.23013	11.7
533.27069	10.3
539.21521	1.2
541.50220	1.1
623.31000	1.4
638.67383	1.0
707.31616	1.1
793.43469	100.0
794.43915	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	790.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05013	0.9
58.06609	0.6
58.49872	0.2
60.08168	6.5
60.45195	0.3
67.05483	1.2
67.10262	0.3
69.07055	0.5
71.07375	4.2
71.08610	0.4
71.10165	0.5
74.16951	0.3
79.05485	1.1
81.07059	1.6
83.08601	0.3
86.09704	34.1
87.10016	0.6
91.05466	1.0
93.07030	0.9
95.08586	1.0
98.98467	3.7
104.10738	3.3
105.07023	0.9
108.85387	0.3
109.10140	0.4
119.08572	0.9
121.10141	0.3
125.00002	22.0
131.08549	0.5
133.10168	0.5
146.72969	0.3
147.11636	0.6
159.11685	0.3
184.07338	100.0
185.07680	2.5
186.07782	0.8
214.07571	0.3
229.16257	0.3
259.20575	0.4
333.24081	0.5
333.90781	0.3
335.25809	0.8
413.92642	0.3
417.44147	0.3
567.07495	0.3
611.46429	0.5
650.71741	0.3
746.79199	0.3
772.54370	2.5
790.55994	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	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
56.05036	0.6
57.07066	0.3
58.06598	0.4
58.16066	0.2
59.07390	0.2
60.08168	7.1
67.05490	0.6
71.07375	4.1
74.15784	0.2
79.05486	0.3
79.66700	0.2
81.07061	0.5
86.09706	31.0
87.09502	0.2
87.10034	0.9
91.05481	0.3
93.07044	0.3
98.98464	3.7
104.10744	3.0
105.06995	0.2
114.66374	0.2
125.00005	22.4
130.31435	0.2
143.01039	0.3
184.07341	100.0
185.07700	3.0
186.07794	0.9
198.92371	0.2
229.27072	0.2
460.15204	0.2
605.18549	0.2
648.06622	0.2
648.42072	0.3
772.54791	4.7
773.54480	0.4
790.56195	3.4
791.56909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.0
55.05513	18.5
57.03223	0.9
57.03440	10.4
57.07060	2.8
58.81380	1.0
58.95786	0.9
61.02911	3.2
61.54766	0.8
65.03925	3.0
67.05507	66.0
69.03435	1.8
69.07072	15.7
71.04985	1.6
71.52478	1.7
79.05495	45.8
81.07059	63.3
83.05000	1.4
83.08620	8.9
85.02896	2.3
85.06522	2.7
91.04958	1.6
91.05487	24.7
93.07052	50.6
94.66126	0.9
95.04957	3.6
95.08610	52.0
97.02876	1.8
97.06530	1.4
97.10156	2.6
105.04527	1.1
105.06370	1.5
105.07030	21.1
107.08602	26.8
109.06497	0.9
109.09459	1.1
109.10162	18.9
111.08070	1.9
117.07039	6.6
119.08580	13.7
119.79859	1.1
121.10152	21.0
123.11723	9.4
127.03841	1.0
129.06915	2.4
131.08568	13.5
133.09222	1.5
133.10150	13.8
135.11703	15.4
137.13242	3.5
138.35036	0.8
143.08501	2.0
145.10117	8.6
147.11697	10.5
149.13280	7.8
157.10069	2.1
159.11710	8.2
161.13290	7.4
163.11208	1.0
163.14822	4.8
171.11697	2.2
173.13271	6.9
175.14833	4.3
177.16406	1.1
185.13220	1.5
187.14841	3.9
197.13266	1.4
199.14841	1.7
201.16359	1.3
203.17891	1.3
232.87889	0.9
241.19630	1.8
243.21095	5.3
245.22511	1.5
259.20596	7.6
261.22165	16.6
263.23746	1.6
299.23676	1.2
302.02151	0.9
315.23367	1.2
317.24667	2.9
333.24213	5.8
335.25809	100.0
336.26321	2.5
337.27359	9.5
341.28473	1.2
380.70120	1.0
417.56418	1.0
445.55582	1.1
448.27563	0.9
521.43353	2.1
595.47272	13.4
613.48273	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.4
55.05512	36.5
55.61646	4.2
57.03423	17.5
65.03941	6.7
67.05503	70.9
69.03426	8.3
69.07081	27.5
69.76529	4.8
71.04992	7.8
75.42443	4.4
79.05492	69.1
79.47132	4.2
81.03409	56.2
81.07061	62.4
81.94975	4.4
83.04980	14.2
83.08624	25.2
85.02884	8.2
85.06551	5.3
91.05474	83.5
92.05852	5.5
93.07050	78.0
95.04967	23.6
95.08597	33.3
97.02879	6.0
97.06532	9.5
97.10159	9.3
99.08076	8.9
100.42120	6.3
101.02456	4.6
105.07030	70.2
107.04980	12.2
107.08600	43.0
109.06524	7.2
109.10162	24.1
111.08078	8.3
117.07022	21.3
119.08578	48.5
121.06483	10.1
121.10131	34.2
121.32555	4.7
123.08066	7.7
125.00007	7.2
125.09608	10.0
128.06239	6.5
129.06992	16.9
131.08566	41.5
133.10124	36.0
135.08029	9.2
135.11661	17.0
137.09634	6.3
142.07788	6.3
143.08562	16.4
145.10106	31.8
147.08052	7.4
147.11722	25.6
149.09615	8.0
149.13225	5.7
155.08600	9.6
157.10121	29.0
159.11697	19.3
161.13243	5.6
163.11244	6.9
169.10162	13.5
171.11713	12.8
173.13249	10.8
175.11221	6.7
181.10144	6.3
181.41504	5.3
184.07333	26.0
185.13229	12.1
193.12216	8.0
195.11601	7.1
197.13251	7.5
199.14778	6.1
227.12840	11.1
241.19452	6.6
258.13062	5.1
259.20663	21.6
267.16000	28.1
275.20187	7.8
283.15442	8.3
299.23483	9.0
333.24091	14.1
377.23901	5.0
451.32242	11.2
469.33243	6.8
525.35815	53.9
543.29254	8.3
543.36755	100.0
557.38403	11.4
575.38953	18.3
791.40948	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.6
55.05510	46.5
57.03437	24.6
61.02924	5.2
62.68492	3.0
65.03929	9.8
67.05164	6.9
67.05505	100.0
69.03421	12.9
69.06717	3.7
69.07070	54.6
69.87080	3.0
71.01350	4.9
71.04986	12.4
71.60619	4.6
73.02911	4.4
79.05496	68.0
79.22002	3.1
81.03420	71.4
81.07055	94.4
83.04976	27.8
83.08620	30.6
85.02900	28.8
85.06544	4.8
91.05481	81.4
93.07047	72.5
95.04977	42.5
95.08609	48.9
97.02893	9.0
97.06532	24.0
97.10188	17.5
99.04491	3.8
99.08094	3.0
105.07034	63.7
107.04930	16.4
107.08602	44.0
109.06522	10.0
109.10168	28.9
111.04451	4.6
111.08086	16.0
117.07012	18.7
119.08585	46.0
121.06527	6.7
121.10168	25.6
123.08089	5.9
123.11726	5.6
125.09634	13.3
129.05464	11.6
129.07001	20.2
131.08559	25.8
133.10115	37.8
135.08041	5.4
135.11644	15.0
137.09612	11.8
141.06992	3.8
142.07788	4.5
143.08542	6.1
145.10126	25.5
147.08005	5.0
147.11646	21.2
149.09616	21.9
149.13245	8.4
157.08609	6.1
157.10118	16.3
159.11703	11.5
161.09554	4.0
161.13229	6.2
163.11186	12.5
171.10214	4.6
171.11691	5.5
173.11694	6.9
173.13184	4.7
175.11205	18.6
177.12746	5.7
183.11638	3.5
184.07375	10.9
187.11093	3.7
189.11186	7.1
193.12306	35.5
211.13277	50.5
227.12814	12.1
229.14343	4.4
252.19020	3.1
257.19025	6.8
267.15936	24.1
269.17560	7.8
275.20074	37.6
283.15482	7.7
285.17017	34.5
293.21170	6.5
301.16513	21.7
333.24249	3.9
349.23706	37.9
421.25824	5.2
439.26761	11.3
463.30441	4.7
477.28400	5.4
481.27652	5.9
495.29245	11.9
541.34918	9.8
557.34326	4.9
559.36279	23.8
575.35846	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.9
55.05512	33.4
57.01076	3.7
57.03442	26.0
59.04985	4.7
61.02912	5.4
65.03928	5.8
66.85403	3.7
67.05161	5.2
67.05506	100.0
68.05806	3.3
69.03438	17.8
69.07070	47.7
71.00843	6.8
71.01184	3.3
71.04997	21.0
73.02916	3.8
79.05050	5.0
79.05495	86.7
81.02985	3.4
81.03424	54.9
81.07057	92.8
83.01332	6.9
83.04995	27.6
83.08617	31.2
85.02910	21.5
85.06535	4.2
87.04417	3.5
91.04957	5.8
91.05482	77.4
93.07047	69.4
95.04965	31.6
95.08611	45.0
97.02878	12.9
97.06525	64.2
97.10152	9.5
105.07021	48.6
107.04950	19.3
107.08595	46.6
108.08882	3.0
109.02889	5.0
109.06533	23.9
109.07206	3.9
109.10157	32.5
111.04457	6.3
111.08066	13.7
115.05451	5.3
115.07553	12.0
117.07018	21.3
119.08577	41.1
120.08932	3.5
121.06511	13.5
121.10146	25.9
123.08033	10.5
123.11675	4.5
125.09620	10.4
127.03852	3.6
128.06255	4.1
129.06996	14.9
131.08571	28.9
133.10110	40.7
135.08049	10.6
135.11720	18.7
137.09615	4.2
143.08533	7.0
145.10123	26.0
147.08038	4.4
147.11687	17.9
149.06064	4.3
149.09578	13.8
149.13242	13.3
151.11110	3.9
155.08496	4.3
157.10120	13.8
159.08052	5.2
159.11687	12.2
161.09583	9.2
163.09985	3.2
163.11177	20.1
173.09607	5.3
173.13130	4.1
175.11212	8.6
184.07248	5.4
185.13345	7.8
189.11195	5.0
193.12248	29.3
195.13658	6.5
199.14705	5.3
209.11682	7.3
211.13297	39.1
217.15845	7.9
227.12856	11.2
229.14357	15.2
233.15256	5.0
255.17380	4.0
257.18967	5.8
267.15851	13.6
269.17490	22.5
273.18515	20.0
275.20068	17.7
283.15424	54.1
285.16986	30.0
291.19464	9.0
347.22104	5.7
349.23636	16.7
357.01514	3.9
365.23355	7.4
367.24936	7.6
383.46237	3.7
437.25296	35.6
443.47516	3.7
461.29010	9.6
477.28500	53.5
479.29990	13.9
517.31793	4.6
539.33051	3.8
557.34583	28.7
575.35779	27.4
632.04968	3.8
673.48096	4.2
745.31451	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	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05511	16.4
56.12269	2.2
57.03447	13.4
57.07079	2.9
60.08154	5.0
65.03921	3.5
67.05168	3.2
67.05509	58.3
68.64597	2.0
69.07066	20.9
70.02966	7.9
70.03371	4.5
71.05013	2.8
71.07391	3.3
76.25231	2.1
79.05502	50.2
80.94800	2.1
81.07065	59.5
83.04975	9.2
83.08611	6.7
85.06545	4.7
86.09710	26.8
87.10034	4.8
91.05482	51.8
93.07043	45.7
95.01340	3.2
95.04961	8.2
95.08038	3.5
95.08610	41.2
97.06536	11.5
97.10187	2.8
98.98434	3.5
105.07035	50.2
107.04964	9.8
107.08601	24.8
109.06530	7.5
109.10147	17.5
117.07014	18.6
119.08585	33.3
121.10149	17.9
123.08079	3.0
123.11700	2.8
125.00022	22.1
125.09605	2.5
129.06999	4.2
131.08594	25.0
133.10138	23.8
135.08043	3.9
135.11690	11.0
137.09616	3.0
143.08585	2.7
143.76649	2.3
145.10118	14.0
147.11671	9.8
149.09590	5.8
149.13306	3.2
157.10046	3.0
159.11685	9.9
161.09535	3.0
161.13240	3.5
173.13287	4.5
179.14349	4.0
183.11797	3.0
184.07352	95.5
185.07660	7.9
201.16492	3.4
219.17442	100.0
257.19077	3.5
275.20084	42.5
293.21112	2.8
335.21985	4.7
335.25790	67.1
339.91803	2.5
349.23700	24.1
355.42346	2.4
406.75201	2.6
563.38104	5.5
585.49304	2.8
609.45221	95.6
610.45563	5.7
770.20892	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	789.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.03001	0.2
61.02914	0.4
64.15897	0.2
65.03925	0.8
67.05494	0.6
69.03425	1.7
70.73332	0.3
70.73677	0.5
73.02914	0.4
78.04708	1.8
79.05486	1.1
81.03398	0.7
81.07037	0.9
83.04987	0.6
85.02897	3.0
86.13043	0.2
91.05490	1.6
93.03389	0.4
93.07039	1.0
94.04165	0.2
95.04971	1.1
95.08576	0.2
97.02869	1.2
97.06515	0.6
98.97557	0.2
99.04520	0.2
103.05464	1.4
105.03386	0.3
105.07024	1.2
106.04168	1.1
107.04951	2.2
108.02169	0.2
109.02882	0.6
110.03652	0.3
115.05434	1.1
117.07002	1.7
119.08556	0.3
121.06488	1.5
121.10204	0.3
123.04427	4.7
124.05217	2.0
125.05994	0.6
127.03936	0.3
131.04926	0.5
133.06468	1.1
134.03664	0.2
135.04422	0.2
137.05969	0.8
138.03087	0.2
142.02489	0.2
145.06490	2.2
145.10133	0.3
147.08083	0.4
149.05975	2.1
151.03914	0.8
151.07538	1.0
152.04689	1.6
153.05489	0.5
155.06030	1.0
161.06001	0.8
163.03845	0.3
166.06250	0.5
167.07034	100.0
168.07413	1.2
171.06554	0.5
173.05974	4.5
175.07509	0.3
177.05476	0.3
179.06992	0.8
181.03354	0.4
181.04953	9.1
181.08537	2.0
188.96840	0.3
189.05386	0.2
189.09106	0.3
191.07115	0.4
193.08591	3.1
195.06512	0.4
205.08630	1.3
209.08052	0.4
210.40367	0.2
211.09653	4.0
212.10001	0.3
223.09581	0.4
233.08083	1.8
234.46788	0.2
235.09619	1.9
237.11208	0.3
384.51801	0.3
387.14243	1.9
399.14346	1.0
417.15442	4.2
418.15659	0.3
459.30646	0.3
477.32172	1.4
561.19482	0.4
597.22778	0.4
609.23383	0.3
627.24353	15.8
628.24249	0.7
646.08606	0.2
673.76239	0.3
789.29395	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	788.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.07074	0.1
58.06349	0.2
58.06628	0.5
59.07405	0.2
60.08167	7.0
67.05504	0.1
69.07059	0.1
69.56281	0.6
70.40513	0.1
71.07378	4.0
81.07034	0.2
82.41023	0.1
84.18858	0.1
86.09708	33.0
87.10021	0.2
91.05502	0.1
93.07067	0.2
95.08655	0.2
98.97829	0.2
98.98467	3.6
98.99113	0.2
104.10749	2.8
105.07037	0.1
122.16015	0.1
125.00009	23.4
143.01045	0.2
153.72658	0.1
166.02727	0.1
184.07344	100.0
185.07700	0.6
296.13086	0.1
297.42508	0.1
420.05466	0.1
492.24329	0.1
496.33926	0.2
562.37610	0.2
650.43933	0.1
690.47223	0.6
730.49420	0.2
770.52411	0.4
788.54443	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	789.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03426	0.3
59.80310	0.1
61.02919	0.3
65.03935	0.7
66.04719	0.2
67.05495	0.7
69.03429	1.4
69.56743	1.3
69.95690	0.2
71.04972	0.3
73.02905	0.5
77.90154	0.2
78.04716	2.1
79.05499	1.3
81.03424	0.7
81.07048	0.5
82.04197	0.3
85.02909	2.1
91.05483	1.6
93.03411	0.3
93.07061	0.8
94.04219	0.2
95.04973	0.8
95.08607	0.2
96.05746	0.2
97.02884	1.0
97.06506	0.2
98.97604	0.2
103.05474	1.2
105.04523	0.2
105.07023	0.9
106.04163	0.9
107.04962	2.2
108.02053	0.2
109.02870	0.4
110.03657	0.4
111.04475	0.3
115.05463	1.4
117.07023	1.4
119.04951	0.2
119.26118	0.2
121.06507	1.8
121.10085	0.2
122.30167	0.2
123.04439	4.5
124.05213	1.7
125.06010	0.4
127.03915	0.3
131.04887	0.3
132.05667	0.2
133.06494	0.8
134.03621	0.3
135.04402	0.4
137.06004	1.0
140.04576	0.2
142.02611	0.3
144.05713	0.2
145.04822	0.2
145.06503	2.5
147.04370	0.2
147.08102	0.3
149.05991	1.9
150.03142	0.2
151.03897	0.9
151.07533	0.8
152.04715	1.4
155.06061	0.7
161.05992	1.3
163.07597	0.2
165.05574	0.3
166.06299	0.6
167.07045	100.0
168.07428	1.3
171.06535	0.5
173.05978	4.3
175.07539	0.3
177.05559	0.3
177.09116	0.2
179.07037	0.5
180.10168	0.6
181.04970	9.4
181.08585	2.2
181.10284	0.3
191.06984	0.4
193.08630	3.1
195.06560	0.4
205.08620	1.0
207.10258	0.2
209.08098	0.7
211.09685	4.3
221.07942	0.2
223.09735	0.2
233.08102	1.8
235.09622	1.7
241.03697	0.2
251.09279	0.2
277.23444	0.2
355.11786	0.2
367.11600	0.2
386.13651	0.2
387.14368	1.7
399.14316	0.8
417.15457	4.5
458.36227	0.2
459.30804	0.4
477.32004	0.6
495.33508	0.2
561.19940	0.3
579.20105	0.3
597.22949	0.2
609.23553	0.2
627.24377	16.1
628.24530	0.6
698.36890	0.2
789.29779	2.8
789.44629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	19.6
55.05510	29.9
57.03428	11.4
57.07067	4.3
65.03939	6.8
67.05503	97.2
68.05830	4.1
68.56889	2.4
69.03413	3.5
69.07069	42.1
70.06979	4.4
70.07329	12.2
71.04988	7.4
71.81744	2.3
79.05052	4.5
79.05492	70.6
80.05814	3.8
81.03423	12.2
81.06570	4.2
81.07056	86.1
82.07394	4.2
83.04975	9.6
83.08611	17.1
85.02896	5.4
85.06538	7.1
91.05480	89.2
92.05809	3.0
93.07043	83.2
95.01325	5.8
95.04976	14.4
95.08602	51.5
96.08960	3.0
97.02882	5.8
97.06525	30.5
97.10154	6.2
99.08060	4.3
103.05501	3.6
105.04504	2.7
105.07031	100.0
107.04978	14.0
107.08600	39.0
109.06511	11.2
109.10157	34.0
110.10483	4.3
111.08107	4.2
115.05515	3.9
117.07013	30.5
119.08578	53.8
120.08909	2.7
121.06493	5.9
121.10125	24.4
123.08086	6.7
123.11725	4.8
125.09615	3.4
129.06998	13.6
131.08580	34.3
132.08890	4.1
133.06500	3.7
133.10135	52.0
134.10556	2.9
135.08098	6.7
135.11665	16.5
137.09605	5.1
139.07483	3.4
141.07045	3.7
143.08592	13.0
145.06454	3.3
145.10115	30.0
147.07996	5.1
147.11687	34.9
149.02408	3.6
149.09648	6.3
149.13232	9.5
155.08553	3.4
157.10129	10.0
158.26208	2.8
159.11673	21.5
161.09631	3.4
161.13246	18.4
163.11191	6.9
167.08482	5.0
169.10127	6.3
171.11693	9.8
173.11772	6.0
173.13289	11.5
175.14825	6.6
177.12706	2.9
179.14314	8.3
181.10118	4.6
183.11685	6.0
184.07338	14.9
185.13283	6.6
187.11198	5.6
187.14813	3.0
189.12834	3.6
197.13232	3.7
199.14716	2.7
208.78998	3.0
209.13359	2.6
211.14874	3.8
213.50287	2.5
215.14453	3.0
223.13289	4.0
224.13631	4.0
229.14253	17.2
230.14702	7.4
239.17941	5.1
241.14340	2.9
241.19534	11.8
243.21031	3.6
257.19083	5.9
259.20554	19.6
260.59244	2.5
261.21906	3.9
262.22424	2.8
273.18527	8.8
275.20059	65.5
276.20502	4.7
277.21664	2.5
279.16010	3.0
291.19586	3.8
293.20999	5.1
297.16980	8.4
298.17517	3.8
315.23126	10.8
333.24252	37.4
335.25723	22.2
336.26257	18.0
347.22424	3.1
349.23730	33.4
355.17587	2.9
355.26071	3.1
453.10455	2.8
490.36072	11.6
557.38116	3.2
558.38483	6.0
607.43695	51.1
608.44159	4.7
625.44452	19.8
719.61816	3.4
787.46936	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	786.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.05040	0.9
57.07064	0.3
58.06624	0.5
60.08167	6.8
67.05495	0.3
70.19306	0.5
71.07376	3.9
71.08609	0.2
79.05507	0.1
81.07053	0.2
82.20708	0.1
82.42017	0.1
86.09708	31.6
87.10016	0.3
95.08626	0.2
98.98465	3.5
99.44115	0.1
104.10748	3.5
105.07030	0.2
125.00010	21.2
139.92827	0.1
160.29250	0.2
170.96677	0.1
184.07346	100.0
185.07661	0.6
247.95218	0.2
291.19736	0.2
301.11310	0.1
391.69696	0.1
395.34488	0.1
561.37695	0.4
603.45105	0.1
629.96655	0.2
642.73438	0.1
768.52045	0.3
786.52869	5.7
787.53357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	19.2
55.05510	33.1
57.03424	11.8
57.07065	5.9
61.02927	17.1
65.03948	20.5
67.05167	5.3
67.05502	78.2
69.03428	19.0
69.07066	30.8
71.04984	10.0
71.08652	2.8
73.02902	5.7
79.05493	67.9
81.03420	30.3
81.07056	77.0
83.04970	7.4
83.08616	19.7
85.02911	17.3
85.06511	5.1
86.09700	6.5
86.88346	3.1
91.03942	2.9
91.04951	4.6
91.05479	60.2
93.07045	58.7
95.04971	13.7
95.08048	4.7
95.08611	57.4
97.02892	20.5
97.06516	16.1
97.10152	12.7
99.04453	5.7
99.08047	5.9
105.07031	55.8
107.04946	9.9
107.08598	39.0
109.02873	5.2
109.06521	7.6
109.10134	27.6
111.08070	3.8
115.05428	4.0
117.07017	23.4
119.08573	43.2
119.80831	3.6
121.02848	5.5
121.06523	4.2
121.10139	20.4
123.08014	5.2
123.11664	6.6
124.99991	3.4
125.09607	13.0
127.03847	4.3
127.07490	3.3
128.06223	6.3
129.07022	24.4
131.08574	44.0
133.10135	36.8
135.08035	6.5
135.11737	17.2
137.09560	5.2
139.03857	5.0
141.06993	4.4
143.08598	22.8
145.06465	5.0
145.10126	35.0
147.08029	4.3
147.11694	17.3
149.02351	100.0
149.03413	6.2
149.09648	7.9
149.13219	8.6
150.02686	29.9
155.08521	16.0
157.10114	23.0
159.11714	24.4
161.13304	7.6
163.11148	3.4
166.12633	3.2
167.08536	7.1
169.10138	19.4
171.11646	17.5
173.04466	9.6
173.11832	4.4
173.13226	12.8
175.11156	4.4
181.10094	11.6
183.11703	17.9
184.07373	17.0
185.13232	12.7
187.14751	5.8
189.11198	5.4
193.03230	6.2
193.04965	95.4
194.05313	30.0
195.11670	10.2
197.13260	12.3
199.14825	8.8
201.16434	6.2
207.11696	4.9
209.13248	6.5
211.14844	7.9
213.16331	4.0
215.14227	3.2
215.17940	3.6
219.17281	3.7
223.14832	7.7
225.16365	5.2
234.78273	3.6
237.16377	4.3
241.19530	6.7
247.20512	3.9
251.18004	4.7
253.19499	3.5
257.19150	3.6
259.20584	10.3
267.15790	3.6
273.18472	10.4
275.20175	18.5
291.19556	6.7
333.24338	8.5
335.25900	7.4
349.23892	6.4
421.30606	4.4
513.35693	24.9
515.38757	6.2
527.37000	8.4
533.39642	9.2
607.43457	45.5
625.44653	79.3
689.42285	4.6
769.48462	7.9
770.17957	29.5
787.49829	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
55.05502	5.3
55.84394	1.3
56.24155	1.0
57.03439	11.0
57.07071	1.9
60.93731	1.1
61.02924	6.4
65.03925	1.3
67.05517	6.1
69.03429	21.3
69.07078	6.4
69.55502	8.8
71.01341	2.4
71.04976	2.8
73.02922	23.4
79.05497	6.0
81.03403	3.3
81.07061	20.0
83.08613	4.8
85.02907	43.0
85.03428	2.6
87.04469	2.2
91.03936	2.4
91.05489	3.9
93.07051	9.0
95.08606	29.2
97.02895	31.9
97.10160	2.5
99.04459	1.7
99.08109	1.3
103.03922	1.9
105.07043	7.6
107.08606	17.0
109.02864	3.4
109.06516	6.2
109.10158	14.1
115.03937	15.0
117.07050	2.1
119.08579	17.8
119.73221	1.6
121.10162	14.7
123.08028	1.2
123.11732	9.0
127.03925	13.6
129.07005	2.1
131.08560	7.6
133.04951	21.1
133.10127	11.9
134.99599	1.3
135.11705	9.4
137.13258	11.3
143.08583	4.3
144.09282	1.3
145.04964	18.1
145.10149	12.0
147.11693	9.3
149.13277	10.4
151.07582	1.3
157.10129	5.5
159.11690	8.5
161.09654	1.7
161.13297	6.6
163.06017	6.4
163.14836	4.4
165.09085	1.3
169.10172	1.7
171.11728	2.7
173.13168	6.2
175.14827	7.7
177.16402	7.0
179.14285	1.6
179.17947	1.5
183.11676	1.7
185.13229	12.9
187.14801	8.1
189.16385	8.4
191.17947	34.1
197.13271	2.2
199.14786	7.9
201.16374	20.8
203.14320	20.1
203.17935	11.9
205.12315	1.5
205.19507	4.2
213.16397	9.7
215.17940	4.5
217.15883	1.5
217.19550	2.9
219.13771	3.2
219.17342	2.1
223.06021	2.7
225.16423	1.7
227.17975	1.6
229.15855	2.1
233.15442	2.1
241.07097	3.3
241.19527	3.0
245.15318	4.3
247.16951	10.2
249.14864	19.9
253.19574	3.0
259.08124	2.9
259.16919	8.4
267.21136	1.4
269.22852	1.9
279.03928	1.2
287.19995	6.4
299.20135	3.5
301.21515	1.7
313.21585	1.5
349.28882	1.4
391.33582	12.0
402.98050	1.5
409.34634	15.0
411.36081	2.0
419.33197	1.9
437.34177	100.0
438.34250	3.8
455.35303	27.2
471.21472	1.3
486.10345	1.4
784.43188	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	784.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
55.05508	4.7
57.03439	11.8
57.07067	2.4
59.04999	1.6
61.02925	7.1
65.90192	1.2
67.05513	8.3
69.03435	23.4
69.07070	7.4
69.64056	8.4
69.65650	1.1
71.01352	3.8
71.05000	2.7
71.08636	1.9
73.02919	25.1
79.05488	5.5
81.03419	4.4
81.07059	24.4
83.08610	5.3
85.02909	46.7
87.04453	3.3
87.61852	1.1
91.03963	2.9
91.05484	5.2
93.07050	14.5
95.08611	38.1
97.02266	2.5
97.02893	42.2
97.10175	2.0
99.04433	2.3
99.08094	1.5
103.03958	1.7
105.07037	10.9
107.08606	20.8
109.02860	3.8
109.10157	19.0
111.04444	1.1
114.21653	1.1
115.03941	14.4
117.07043	2.1
119.08585	22.6
121.10152	15.2
123.11691	12.1
127.03925	13.2
129.07033	1.5
131.08588	10.5
133.04977	17.5
133.10143	12.3
135.11684	13.2
137.13257	11.2
143.08553	4.6
145.04970	20.1
145.10139	13.8
147.11673	11.8
149.13268	13.0
151.14838	2.2
153.09081	1.2
157.10130	4.9
159.11705	10.4
161.13264	5.4
161.53830	1.3
163.06032	5.5
163.07405	2.2
163.14821	3.7
169.10127	3.3
171.11676	3.5
173.13200	5.8
175.14809	6.4
177.09148	1.3
177.16359	6.5
179.17920	1.4
185.13283	8.9
187.14862	8.5
189.16368	6.0
191.17960	28.6
191.19586	2.4
199.14830	5.8
201.16383	29.0
203.14313	5.2
203.17938	9.8
205.12151	1.6
205.19511	7.0
207.17442	1.5
213.16420	10.3
215.18053	2.8
217.19525	3.9
219.01801	1.9
219.13945	2.1
219.17412	3.2
221.15292	1.4
223.06021	2.5
227.18088	2.2
229.19606	1.4
231.20901	1.5
239.18109	2.0
241.07193	3.1
241.19615	3.2
245.15388	4.1
247.16879	7.8
249.14879	4.0
253.19536	4.2
255.21103	1.5
257.22650	1.3
259.08154	3.4
259.16937	11.5
266.00525	1.2
267.21033	1.3
271.16843	2.0
285.18628	4.3
285.25870	1.4
287.20114	5.7
295.10239	2.2
299.19992	3.8
313.21597	1.5
391.33585	12.0
409.34790	8.2
437.34174	100.0
438.34686	3.1
455.35132	20.6
496.46344	1.4
737.25824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.2
55.05513	12.1
57.03422	11.6
64.04179	5.0
67.05502	33.8
69.03433	37.3
69.07050	20.7
70.66158	12.4
70.66492	7.1
71.01325	5.5
71.04985	9.2
73.02896	25.0
75.84441	4.9
79.05482	17.9
81.03407	17.9
81.07054	47.8
83.04975	6.9
83.08612	11.9
85.02903	62.7
89.16048	5.1
91.05457	31.6
93.07047	39.2
95.08598	54.2
97.02900	36.7
97.10205	6.1
98.97560	6.8
105.07032	49.7
107.08600	54.8
109.02854	12.4
109.06487	7.9
109.10166	43.0
111.04400	6.9
111.08077	11.6
115.03962	14.3
119.08569	67.6
121.10104	35.2
123.08060	7.7
123.11666	14.4
127.03899	11.8
131.08553	21.9
133.04944	9.7
133.10121	36.5
135.11664	22.1
137.09525	6.5
143.08549	17.3
145.04968	13.1
145.10092	41.8
147.11679	41.8
149.13263	41.9
157.10173	12.6
159.11743	32.8
161.13226	28.6
163.06003	5.8
163.14845	14.7
165.09084	23.5
171.11716	12.7
173.13257	25.1
175.14877	28.6
177.16338	24.3
185.13269	25.5
187.14844	33.9
189.16364	33.9
193.15977	7.4
199.14751	8.7
201.16368	53.6
203.14268	24.9
203.17929	20.7
205.15886	18.4
207.17384	30.9
213.16374	18.4
215.17961	11.8
225.16524	8.5
227.17929	6.6
233.15518	6.3
233.18996	10.7
245.15355	6.7
247.16924	23.5
249.14830	22.1
252.61234	6.6
259.16901	6.8
367.30038	7.5
389.32040	9.2
395.29446	16.6
407.33057	45.0
413.30530	7.8
423.32428	13.1
425.34097	7.7
435.32593	100.0
436.32742	10.6
453.33658	78.9
454.34262	8.8
471.34473	15.0
525.83148	5.8
783.38086	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	783.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05504	9.6
57.03438	10.0
57.25301	3.5
57.88400	3.7
61.02925	7.1
67.05505	24.9
69.03432	33.4
69.07084	18.4
69.48293	20.6
69.48703	7.2
73.02906	24.0
79.05487	10.8
81.03414	7.8
81.07055	45.5
83.08630	12.8
85.02901	54.0
86.10704	3.1
87.04489	4.0
91.05494	15.7
93.07043	42.4
95.08610	55.5
97.02888	38.0
99.04461	3.3
105.07037	49.3
107.08602	55.0
109.02905	7.0
109.10162	58.3
111.08081	15.6
115.03934	10.8
117.07021	8.3
119.08582	64.5
121.10141	37.7
123.11700	12.0
127.03945	10.5
131.08572	24.4
133.05014	20.0
133.10150	41.6
135.11703	23.8
137.33485	3.7
139.11198	4.6
143.08565	11.5
145.04958	16.7
145.10103	33.0
147.11693	39.4
149.13264	43.7
157.10138	12.3
159.11699	29.6
161.09572	4.5
161.13243	31.4
163.03958	4.7
163.06117	4.1
163.07608	4.0
163.14845	16.6
165.09090	6.5
169.10106	7.8
171.11739	8.3
173.13277	27.9
175.14830	28.7
177.16423	17.6
183.11740	5.9
185.13232	12.8
187.14830	27.7
189.16379	43.2
191.17964	9.6
197.13278	5.9
199.14806	19.1
201.16362	55.1
203.14301	8.9
203.17979	32.2
205.15813	23.4
207.17461	15.4
211.14844	5.0
213.16444	24.0
215.17963	14.3
217.12256	4.0
217.19525	9.3
219.17435	7.7
221.19037	6.4
227.18054	7.0
233.19060	7.3
239.17909	8.7
241.19524	12.6
245.15417	9.6
247.16943	13.5
249.14850	9.4
253.19577	9.5
259.16940	5.5
267.20932	5.5
269.22552	4.3
287.20041	8.9
299.20203	7.2
327.23047	4.8
389.32092	16.9
395.29553	12.3
407.33066	37.9
409.34583	5.3
413.30640	4.7
423.32504	16.1
435.32611	89.0
453.33640	100.0
454.34189	5.3
471.34729	7.6
695.70349	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	781.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.7
56.05020	1.2
57.07079	5.0
58.06602	0.6
60.07915	0.5
60.08168	6.5
61.08467	0.6
64.10793	0.4
67.05494	3.0
69.07065	6.7
69.65079	2.7
71.07094	0.4
71.07378	4.2
71.08640	2.9
73.52557	0.5
79.05508	1.0
81.07054	3.9
83.01337	1.3
83.04990	1.0
83.08613	4.0
85.10181	2.1
86.09705	35.8
87.09556	0.5
87.10042	3.2
91.05455	0.8
93.07022	1.4
95.08592	2.9
97.10151	2.1
98.20731	0.6
98.98464	4.8
103.05492	0.8
104.10756	2.6
105.07071	0.5
107.04937	1.0
107.08596	1.0
109.10151	1.7
110.85408	0.5
111.11709	1.1
112.03314	0.5
115.05434	0.5
117.82709	0.4
119.08588	0.8
121.10175	0.5
123.04375	0.7
123.11704	0.8
125.00002	23.2
126.00314	0.7
131.04909	3.2
135.04404	0.8
137.05974	1.3
143.01080	0.6
145.10097	0.7
151.03911	0.9
159.04404	1.2
163.03976	0.5
165.07004	1.1
169.04994	1.1
173.06007	1.4
177.05429	0.6
178.07773	0.5
179.08566	1.2
181.06445	0.6
181.10150	1.2
184.07341	100.0
185.07681	11.1
187.03905	22.7
190.07822	0.5
193.06445	0.5
193.10112	3.1
195.08063	1.4
202.07779	0.7
203.08562	2.6
205.10175	1.1
207.08025	1.2
209.09657	2.9
211.07565	0.9
215.03366	0.6
215.08682	0.6
215.10629	0.5
217.04855	0.7
218.07190	0.6
219.08064	1.2
221.09718	2.9
223.07460	1.2
225.09073	2.4
231.08083	3.9
233.09618	3.6
235.07651	0.8
237.09088	3.8
239.07018	8.3
239.10611	3.5
240.07715	1.0
241.08624	4.3
241.70454	0.5
245.09608	1.5
247.07510	1.0
247.11150	0.7
249.09090	4.8
250.06148	0.5
251.07005	1.0
251.10718	1.3
253.08583	5.1
259.07520	1.3
259.11386	0.5
261.09097	3.4
262.09909	0.4
263.10696	0.8
264.07813	1.1
265.08621	2.3
266.09412	0.6
267.06723	3.4
267.10153	4.7
268.07230	2.5
269.08047	2.7
273.12750	0.5
275.10718	1.3
277.08633	9.2
278.09375	1.9
279.10129	3.5
280.07278	0.8
281.08127	1.7
281.11682	0.9
283.09485	2.6
283.15234	0.5
289.08682	0.5
290.09280	0.6
291.10208	2.3
292.07294	0.6
293.08099	2.7
293.11255	0.8
295.09637	8.5
301.12289	0.5
303.10168	0.6
305.08014	3.1
305.11478	1.1
306.08765	0.6
307.09589	2.3
308.06827	1.1
309.07480	1.4
309.11099	1.1
311.09131	67.5
312.09531	2.0
313.27524	0.8
317.11902	0.6
319.09628	0.9
319.13202	1.0
321.11414	0.7
323.09155	22.9
324.09418	0.9
325.10791	2.8
328.11328	0.8
329.11713	1.1
337.10919	0.8
343.13165	1.2
365.13840	1.0
381.17096	0.6
382.19006	0.5
393.16870	0.7
521.38538	2.9
543.38275	1.2
553.37140	2.3
561.39404	6.7
571.37848	4.5
589.38873	33.9
590.39154	1.8
683.48151	0.6
737.40839	0.5
763.44519	0.7
781.54974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.03427	1.6
59.04996	0.4
60.08187	0.4
61.02929	4.1
67.05171	0.6
67.05510	6.9
67.39021	0.4
69.03439	2.8
69.07067	0.6
73.02917	3.1
79.05497	2.6
81.03420	1.0
81.07056	3.8
83.04986	0.6
83.08636	0.5
85.02910	5.8
86.09708	1.3
87.04462	0.8
91.03964	3.7
91.05486	1.5
93.07048	2.8
95.04970	0.7
95.08612	2.4
97.02895	4.7
97.06560	0.5
99.04472	0.8
99.48706	0.4
101.02385	1.5
105.07066	0.8
107.08598	1.1
107.74757	0.4
109.02850	1.0
109.10162	5.6
119.08559	1.0
121.10150	1.6
123.11794	0.4
125.00027	0.9
127.03933	1.5
131.08600	0.6
133.10136	0.5
135.11710	0.5
163.81908	0.4
173.11813	1.2
184.07321	5.3
185.04195	1.0
185.07726	0.4
195.09947	0.6
229.14449	1.0
243.08372	2.2
309.88907	0.5
325.13763	0.5
335.25854	0.5
413.17789	6.5
509.49304	0.4
519.29211	7.8
534.86462	0.5
630.01080	0.4
665.44202	0.5
691.40289	100.0
692.40662	4.5
763.41534	1.1
781.42023	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	781.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05501	1.2
57.03427	1.9
61.02925	5.3
61.79757	0.4
67.05508	7.1
69.03439	2.9
69.07059	0.8
71.04993	0.7
71.62379	0.6
73.02908	3.9
79.05485	2.9
81.03403	1.3
81.07068	4.2
83.04981	0.5
83.08597	0.6
85.02898	5.7
91.03955	3.9
91.05457	1.5
93.07037	2.4
95.04964	0.8
95.08617	3.2
97.02905	4.6
99.04442	0.8
101.02388	1.6
103.70424	0.4
105.07009	0.6
107.08608	1.2
109.02870	1.1
109.10162	5.1
119.08572	0.9
121.10101	1.7
125.00005	0.7
127.03896	1.4
131.08653	0.5
135.11734	0.5
143.18977	0.4
145.05025	0.4
173.11765	1.8
184.07434	0.8
185.04303	0.6
192.74013	0.5
195.09914	1.2
203.05304	0.5
229.14371	0.9
243.08366	1.6
251.12309	0.5
261.22009	0.5
335.25821	0.8
348.21390	0.4
413.17831	6.0
519.22015	0.5
519.29376	8.6
617.59930	0.5
691.40265	100.0
692.40662	4.4
735.43341	0.5
763.42499	0.8
781.41547	15.1
782.41309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
57.07087	0.2
58.06633	0.4
59.07410	0.2
60.08168	6.7
64.02808	0.1
67.05508	0.4
69.34257	1.1
70.06612	0.2
71.07375	4.1
72.73871	0.1
75.69721	0.1
79.05484	0.2
80.61404	0.1
81.07088	0.3
84.05785	0.1
86.09708	33.6
87.10037	0.3
95.08613	0.2
98.98466	4.0
98.99113	0.2
101.14137	0.1
104.10753	2.2
125.00008	23.8
143.01021	0.2
146.98190	0.3
163.01541	0.1
184.07344	100.0
185.07753	0.7
358.82840	0.1
367.65125	0.1
371.37433	0.2
597.48492	0.4
721.47247	0.2
780.55298	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03431	1.6
60.08159	2.1
61.02931	6.4
67.05504	8.1
69.03428	3.1
69.07069	1.1
69.34925	1.2
69.35329	3.6
71.01320	0.7
71.07390	0.7
72.81533	0.6
73.02924	4.8
73.37333	0.5
79.05506	3.9
81.03419	2.2
81.07057	5.6
83.08614	1.4
85.02904	6.3
86.09709	8.8
87.10023	0.6
91.03963	4.2
91.05482	2.4
93.07050	5.2
95.08607	4.7
97.02892	4.6
98.98488	0.9
99.04477	1.3
101.02378	2.0
105.07035	1.5
107.08610	2.1
109.02876	0.9
109.10147	5.6
111.90597	0.6
117.06995	0.6
119.08608	1.6
121.10162	1.3
125.00005	6.8
126.00343	0.8
127.03912	2.2
135.11684	1.0
145.10129	0.7
166.75552	0.5
173.11766	1.3
184.07344	23.5
184.08974	1.2
185.04172	0.9
185.07738	2.1
187.61275	0.5
195.09895	1.4
229.14310	1.1
243.08476	1.9
277.63721	0.6
287.22812	0.5
335.25580	0.7
413.17783	5.6
444.55551	0.6
458.17404	0.6
519.29187	10.1
523.93921	0.6
691.40289	100.0
692.40588	4.6
734.55035	0.7
763.42047	1.0
779.71844	0.7
781.42621	6.6
781.54065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
57.03428	2.2
60.08168	1.9
61.02924	5.4
65.35728	0.6
67.05503	9.4
69.03427	2.7
69.07082	1.1
71.05022	0.7
71.07363	1.4
71.62377	1.1
73.02909	4.0
79.05495	2.0
81.03426	2.0
81.07052	4.1
83.08640	0.9
85.02903	4.6
86.09700	7.2
87.10029	0.9
91.03938	3.8
91.05490	1.7
93.07056	2.8
95.08629	2.6
97.02884	4.5
98.98480	1.7
101.02394	1.8
104.10735	1.0
105.07044	1.0
107.08618	1.7
109.02898	0.7
109.10150	6.1
111.08033	0.8
119.08623	0.8
121.10135	1.3
124.99994	7.1
127.03944	2.4
134.75854	0.5
135.11699	0.9
137.09610	0.9
145.10150	0.7
173.11752	1.8
184.07336	26.2
185.04237	0.7
185.07719	2.8
195.10022	1.2
229.14453	1.5
243.08461	2.4
261.86636	0.6
396.48318	0.6
413.17798	12.7
519.29230	5.9
691.40247	100.0
692.40454	6.0
781.42426	9.3
781.54370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.1
55.05513	9.2
56.95132	1.2
57.03438	9.4
61.02916	3.5
65.82625	1.4
67.05505	10.2
69.03429	9.3
69.07076	9.1
69.23978	15.0
71.04995	39.3
73.02911	3.1
75.04485	8.5
78.80487	1.5
79.05484	6.3
81.03416	2.2
81.07062	18.0
83.04976	19.2
83.08597	3.0
85.02909	100.0
91.05457	8.4
93.07043	16.6
95.04977	3.5
95.08040	2.2
95.08611	31.3
97.02901	9.2
97.10144	1.8
98.20708	3.6
99.04475	3.1
100.14081	1.7
105.06365	2.0
105.07028	21.1
106.07386	1.6
107.08588	22.0
109.02817	2.3
109.10171	18.2
111.04465	10.3
111.08083	5.3
117.07057	1.8
119.08576	33.8
121.10129	13.8
123.11732	8.9
127.03904	8.6
129.05482	35.0
129.06973	2.1
131.08569	11.7
133.10127	18.1
135.11674	9.9
137.13217	2.7
141.86649	1.5
143.08553	5.4
145.04956	5.7
145.10129	23.2
147.06523	22.1
147.11687	17.4
149.13257	20.3
151.07637	1.6
157.10117	6.6
159.11699	17.5
161.13268	15.4
163.03938	1.9
163.05988	1.8
163.14809	9.0
165.07617	2.1
165.09039	2.8
167.07079	3.4
169.10107	2.7
169.28638	1.6
171.11688	4.8
173.13240	11.7
175.14810	15.4
177.16365	12.6
179.14168	2.1
183.11691	3.5
185.13257	5.1
187.14856	15.7
189.16379	23.0
191.18019	2.6
197.13290	3.0
199.14781	7.9
201.16393	39.4
203.17964	11.2
205.15912	10.3
207.17432	14.1
209.13240	2.6
211.14838	2.5
213.16371	6.2
215.18051	7.5
219.13832	3.5
219.17436	4.3
221.15289	3.4
223.14684	2.8
225.16380	3.1
227.17944	3.6
229.15964	1.9
229.19456	1.9
233.15327	2.1
233.19029	5.2
239.17902	2.4
241.19597	4.3
245.15398	4.7
247.16910	15.7
249.18530	2.3
253.19447	2.6
255.08505	3.1
259.16861	4.1
267.21198	2.5
268.02957	1.4
273.09744	2.6
273.18417	2.0
285.18454	2.3
287.19745	1.7
292.35556	1.7
293.23016	2.4
309.11813	6.6
349.28906	3.0
389.32166	8.5
395.29370	6.0
407.33121	26.1
409.34497	3.2
423.32507	8.3
425.33398	2.5
435.32632	51.0
453.33667	39.9
454.34048	1.7
683.07764	2.0
779.38055	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03431	2.1
59.04996	0.6
61.02923	5.6
67.05511	4.3
69.03427	3.1
69.07067	0.8
71.04986	1.5
73.02917	3.7
79.05496	3.3
80.85893	0.5
81.03419	3.1
81.07062	4.2
83.08611	0.5
85.02912	4.3
86.09691	0.6
87.04480	0.5
89.66066	0.5
91.03966	3.1
91.05472	2.6
93.07050	4.4
95.04969	0.9
95.08611	2.9
97.02890	4.7
98.21507	1.0
99.04453	0.8
101.02385	1.7
105.07040	1.9
107.08604	1.9
109.02854	0.5
109.10168	1.1
117.07026	0.5
119.08582	1.5
121.10172	1.5
125.00005	0.8
127.03896	0.9
131.08586	1.3
133.10112	0.8
135.11705	0.9
147.11655	1.0
149.09648	1.4
175.11174	0.9
183.57361	0.5
184.07391	2.6
193.12369	0.5
243.08406	1.7
267.16086	0.6
283.15118	4.5
339.18042	0.7
366.85959	0.5
501.23151	7.7
519.29199	7.5
779.45490	100.0
780.45740	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	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05495	1.5
57.03428	1.6
61.02923	5.3
67.05510	4.2
69.03436	2.7
69.07059	2.3
69.27543	0.5
70.04173	2.4
71.04996	1.2
73.02908	3.4
79.05482	4.8
81.03420	4.0
81.07047	4.7
83.04996	1.0
83.08612	1.7
85.02904	6.2
86.09712	1.2
91.03956	2.3
91.05463	4.7
93.07060	2.5
95.04956	2.7
95.08616	2.0
97.02889	4.3
97.10155	0.9
98.21394	0.5
99.04465	0.8
101.02393	1.5
105.07040	2.4
107.05011	0.6
107.08614	1.5
109.06513	0.6
109.10150	0.9
119.08587	1.9
121.10148	1.1
125.00020	0.8
127.03917	0.6
129.06981	0.5
131.08606	1.2
133.10133	1.4
141.69974	0.5
145.10124	0.6
147.11700	1.3
157.10136	1.0
184.07391	3.5
185.07681	0.7
193.12270	1.3
203.05299	0.7
207.58342	0.6
211.13295	0.8
243.08432	3.6
246.62447	0.5
300.04538	0.5
333.20416	2.9
375.78653	0.6
406.56451	0.6
453.21088	0.7
469.20441	11.1
533.70386	0.6
541.22900	0.6
551.28345	3.2
640.65601	0.7
722.74359	0.6
779.41840	100.0
780.42114	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	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05507	1.4
57.03426	2.2
59.08824	0.5
61.02930	5.6
67.05506	4.0
69.03433	3.0
69.07059	1.6
70.48967	1.9
71.04986	1.8
73.02916	3.6
79.05515	4.2
81.03414	4.0
81.07056	4.0
83.04993	1.1
83.08624	1.3
83.98584	0.6
85.02904	8.1
91.03957	2.5
91.05477	5.6
93.07056	3.9
95.04982	2.4
95.08617	2.5
97.02901	3.8
97.06561	0.7
97.10189	0.7
99.04465	1.3
101.02386	1.8
105.07021	4.4
107.08615	2.2
109.06527	0.6
109.10175	1.6
117.07033	1.2
119.08614	2.9
121.10170	1.6
127.03948	1.5
128.32700	0.7
129.07007	0.9
131.08600	2.3
133.10146	2.3
142.00249	0.7
145.04988	1.1
145.10188	1.2
147.11716	1.6
157.10182	1.5
159.11740	0.6
175.11232	1.2
184.07428	1.2
193.12376	0.7
243.08403	3.1
251.12556	0.9
297.55270	0.6
333.20438	1.9
465.21234	1.6
466.43320	0.6
469.20517	8.4
551.28290	5.8
564.21759	0.7
615.37024	1.4
693.35370	1.0
779.41876	100.0
780.42261	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	778.5379
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05034	1.0
58.06376	0.2
58.06633	0.4
60.08165	7.0
67.05504	0.1
71.07378	3.9
71.45781	0.3
72.93153	0.2
79.05527	0.2
81.07051	0.2
86.09708	32.2
87.10028	0.3
87.20030	0.1
93.07027	0.3
95.08623	0.1
98.98466	4.1
104.10751	2.2
123.47872	0.1
125.00008	22.6
131.08704	0.2
143.01024	0.2
143.05814	0.1
146.69919	0.1
159.08249	0.1
167.07114	0.2
180.68013	0.1
181.08861	0.1
184.07344	100.0
185.07755	0.9
273.78809	0.2
311.24136	0.1
400.15454	0.2
518.32288	0.2
778.54102	1.3
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
55.05517	2.6
57.03444	4.0
61.02929	8.5
63.76270	1.1
67.05501	5.8
69.03435	5.1
69.03796	1.2
69.07077	2.5
69.63806	5.4
69.64217	2.4
71.01349	1.1
71.04989	1.7
73.02929	6.6
77.14522	1.1
79.05498	7.4
79.87099	1.0
81.03010	1.1
81.03428	6.2
81.07046	6.6
83.04994	2.0
83.08653	2.3
84.73259	1.1
85.02905	10.2
86.09731	1.1
87.04485	1.3
91.03980	4.5
91.05487	6.7
93.07054	5.2
94.29229	1.0
95.04982	3.3
95.08636	5.0
97.02891	6.8
99.04451	1.5
101.02440	2.8
105.07048	4.5
107.08625	3.1
109.10163	1.2
111.04433	1.5
111.08080	1.1
117.06948	1.3
119.08620	3.4
120.27069	1.0
121.10186	2.8
127.03915	2.1
129.05510	1.5
129.07063	3.5
131.08623	2.4
133.10133	2.6
134.59291	1.2
145.10182	1.8
147.11714	3.4
157.10242	1.3
184.07402	4.5
185.04269	3.6
193.12297	3.0
243.08383	5.9
247.12964	2.3
251.12700	1.5
301.08954	7.4
307.15201	1.8
315.10422	2.3
331.15268	1.2
343.22263	1.4
373.11566	1.5
385.18549	4.6
419.83258	1.3
465.20926	10.9
469.20483	22.0
470.21072	1.6
525.23077	8.8
531.29346	2.0
533.27417	2.1
535.29211	5.1
551.28204	1.9
565.58813	1.3
594.30615	1.3
607.30762	2.0
609.32861	1.8
611.30035	1.5
663.33881	2.7
665.34692	1.4
677.39093	2.7
678.38959	1.3
681.34393	3.1
693.34570	100.0
694.35315	3.1
695.39825	2.1
761.40887	12.9
779.41803	66.7
780.42145	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	777.441
Annotation	Ilekudinoside K
Peak:m/z	Relative Intensity
55.05504	5.6
57.03434	11.0
67.05505	4.9
69.03432	6.7
69.07068	5.5
70.23540	3.5
71.01347	2.1
71.04996	57.4
73.02923	4.6
75.04469	7.1
79.05499	3.5
81.03404	1.4
81.07067	13.8
83.04975	8.7
83.08614	2.7
85.02905	100.0
87.04480	1.8
91.05493	5.2
93.07043	10.4
95.05019	1.5
95.08610	16.7
97.02890	5.9
97.06496	1.4
99.04439	2.8
105.07038	16.5
107.08607	15.3
109.02809	1.4
109.10155	8.1
111.04423	6.3
114.63180	1.4
117.07009	2.9
119.08591	19.5
121.10141	10.0
123.11708	4.3
127.03922	5.6
129.05484	28.8
129.06982	1.6
131.08566	11.2
133.10127	13.6
135.08119	1.5
135.11697	8.7
137.13289	1.7
143.08572	5.2
144.09360	1.5
145.04970	2.7
145.10130	18.2
147.06517	10.3
147.11694	10.3
149.05946	2.0
149.13298	6.4
155.08588	2.7
157.10168	8.2
158.10907	2.8
159.11696	24.7
161.13228	6.7
163.14816	2.3
167.07101	1.9
168.09352	6.5
169.10124	3.0
171.11710	4.5
173.13249	14.1
174.51540	1.4
175.14851	7.4
177.12685	1.4
177.16389	2.5
182.10912	1.9
183.11685	27.4
185.13277	8.6
187.14841	7.4
189.16380	24.0
191.14284	2.6
191.17888	7.4
195.11572	2.2
197.13255	4.5
199.14839	4.9
201.12756	68.5
201.16388	9.1
203.14314	7.0
203.17982	5.2
205.19510	3.7
207.17433	10.0
209.13319	1.8
211.14876	2.4
213.16403	3.4
215.14343	6.9
215.17863	1.9
217.15903	4.7
217.19464	2.9
219.13690	6.4
223.35815	1.4
227.17976	2.7
229.12305	1.4
229.16013	1.5
233.15352	1.6
241.19489	2.7
247.13313	47.0
249.14847	1.5
251.17928	2.4
261.14844	30.0
269.19156	2.6
283.20642	2.0
359.50851	1.6
363.30634	3.2
381.31564	1.4
387.30157	2.4
405.31506	38.6
423.32562	18.3
433.31000	4.8
451.32053	19.6
469.33093	13.9
574.90479	1.4
585.37732	4.3
673.34192	2.0
689.42621	19.0
731.43024	5.4
777.44812	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	777.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05514	2.4
57.03440	2.3
61.02928	6.0
67.05507	5.5
69.03448	3.9
69.07077	2.0
71.01361	0.9
71.05004	0.8
73.02924	3.1
79.05491	5.1
79.63727	0.6
81.03429	2.4
81.07056	4.8
83.04998	1.3
83.08613	1.2
85.02917	5.4
86.09705	0.9
91.03991	2.5
91.05494	3.9
93.07039	3.7
95.04969	1.6
95.08625	2.5
97.02905	4.8
97.06539	0.7
97.10152	1.0
99.04473	1.1
101.02413	1.9
105.07047	2.8
107.04919	0.6
107.08595	2.5
109.06561	0.8
109.10196	1.9
117.07033	0.9
119.08601	2.1
121.06546	0.7
121.10158	1.6
123.08096	1.0
124.99985	0.6
125.09631	0.6
127.03979	1.7
129.07047	0.8
131.08600	1.3
133.10159	1.4
135.11720	1.6
145.10167	1.6
163.11235	1.0
184.07327	3.7
190.33246	0.6
193.12233	0.8
243.08401	3.6
247.66429	0.5
333.20526	1.7
467.19037	5.0
469.20279	2.9
495.86667	0.6
549.26715	1.6
551.28290	4.2
569.59351	0.6
617.36096	0.7
771.38684	0.6
777.40326	100.0
778.40784	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	777.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03448	2.1
61.02932	6.2
67.05510	6.5
69.03423	2.7
69.04589	0.9
70.19380	4.4
73.02910	4.4
79.05491	4.7
81.03423	2.3
81.07047	4.5
83.04998	1.8
83.08602	1.1
85.02908	6.2
87.04487	1.0
91.03970	3.2
91.05479	3.2
93.07047	5.0
95.04956	1.0
95.08613	4.3
97.02892	4.6
99.04449	1.2
101.02393	1.8
105.07027	1.9
107.08601	3.4
109.02914	1.6
109.10151	1.1
111.04408	1.6
117.07030	1.0
119.08567	2.5
121.10152	3.5
123.08072	1.2
127.03913	1.6
133.10106	1.4
145.10094	1.5
163.11162	2.5
184.07365	1.1
223.13358	1.7
243.08490	2.7
281.13571	5.5
337.16147	1.3
499.21423	11.1
519.29419	4.1
519.83435	1.1
623.17700	1.2
777.43890	100.0
778.44208	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	777.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94853	0.6
55.05508	1.5
57.03423	1.8
61.02925	5.9
67.05511	5.7
69.03425	3.5
69.07067	0.9
69.48373	1.8
69.48785	2.6
73.02920	4.3
79.05497	4.6
80.15577	0.6
81.03419	3.3
81.07059	5.5
85.02908	5.4
86.09703	1.3
91.03959	3.9
91.05478	3.3
93.07033	4.0
95.04965	0.9
95.08599	3.8
97.02901	6.0
97.06529	0.8
99.04439	1.0
101.02386	2.6
105.07041	1.1
106.27255	0.6
107.04979	0.7
107.08612	3.1
109.02875	0.9
109.10186	1.5
111.04498	0.9
112.89364	0.6
119.08583	1.7
121.10150	2.4
125.00018	1.6
125.09612	0.6
127.03905	1.6
131.08611	0.9
133.10133	0.9
135.11682	1.6
145.10185	1.4
163.11217	1.4
184.07312	3.4
209.11646	0.7
223.13272	1.0
243.08530	2.0
281.13562	5.6
335.25937	1.0
337.16168	0.9
361.84177	0.7
499.21646	4.9
519.29218	8.6
777.43860	100.0
778.44208	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	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26579	1.4
55.01866	6.4
55.05257	2.8
55.05511	41.3
57.03440	19.9
57.07059	3.7
59.04998	4.1
61.02922	4.6
65.03941	3.8
67.05504	100.0
69.00505	1.4
69.03426	4.8
69.07066	17.1
71.01355	1.9
71.04981	6.3
73.02937	2.5
75.59531	1.6
79.05052	3.2
79.05494	59.6
81.03414	9.0
81.07057	69.7
83.04989	7.7
83.08625	16.0
85.02901	18.2
85.06541	4.2
87.04462	5.7
91.04002	2.0
91.05485	34.3
93.07047	48.5
95.04987	7.2
95.08607	43.0
97.02896	6.6
97.06526	5.2
97.10172	20.1
98.21555	2.4
99.08089	1.8
104.83067	1.5
105.07036	19.8
107.04950	4.1
107.08596	29.1
109.06506	3.4
109.10155	47.8
111.04394	1.8
111.08078	4.7
117.07005	6.0
119.08576	16.6
121.10131	24.2
123.08080	2.6
123.11697	5.3
125.09624	23.4
129.06999	3.1
131.08577	10.8
133.10129	12.2
135.11687	13.4
137.09596	4.6
139.11153	3.5
143.08540	2.9
143.10704	2.7
145.10100	9.1
147.11697	5.6
149.09619	3.1
149.13242	6.7
153.12759	1.6
155.10681	3.1
157.10156	1.6
159.11681	6.4
161.13234	5.3
163.11212	6.9
163.14780	2.5
173.11713	10.4
173.13272	5.1
175.14862	2.1
181.12244	2.5
184.07333	5.5
185.13268	2.0
187.14879	4.2
189.11266	1.8
191.10706	2.2
193.12321	2.0
199.13295	8.6
203.12782	2.2
209.11778	4.8
227.12749	7.4
229.14340	44.9
243.21155	4.9
245.13954	3.3
248.87297	1.6
259.20438	2.1
261.22104	18.1
265.29697	1.6
267.15927	5.1
281.18927	1.5
283.15469	2.7
299.14899	1.7
300.15195	2.0
301.16528	17.1
317.24811	2.2
335.25793	78.9
336.26080	4.0
427.58160	1.6
459.34702	3.1
472.50610	1.8
477.35809	11.9
489.35629	15.2
543.36597	3.8
561.37769	9.4
579.38531	4.7
688.80060	1.6
690.35181	4.6
711.07196	2.0
776.40948	18.9
777.41632	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.6
55.05514	40.7
57.03438	16.5
57.07066	2.3
57.80907	1.2
59.05002	2.2
61.02900	3.6
62.41286	1.0
65.03941	3.9
67.05507	100.0
68.32148	1.2
69.03399	4.4
69.07071	15.8
69.63550	8.6
71.04976	4.3
73.02908	1.9
79.05496	43.9
81.03426	6.6
81.07060	59.6
83.04968	5.4
83.08624	15.6
85.02908	14.9
85.06548	2.7
87.04455	5.5
88.98439	1.1
91.03938	2.4
91.04955	2.1
91.05484	24.9
92.40894	1.1
93.07051	37.8
95.04951	4.7
95.08611	36.6
97.02898	2.4
97.06508	5.3
97.10173	19.7
103.03910	1.6
105.07030	16.1
107.04939	1.7
107.08600	28.3
109.06522	1.6
109.10165	51.5
111.08088	2.6
115.05485	1.3
117.07023	7.0
119.08583	15.9
121.10141	17.5
123.08090	2.1
123.11694	4.3
125.09642	19.5
129.06995	2.4
131.08557	11.3
133.10149	10.2
135.08055	2.3
135.11699	11.5
137.09619	3.8
139.11134	1.8
143.08582	2.4
143.10660	3.5
145.10112	8.3
147.08011	1.4
147.11682	5.9
149.09576	1.6
149.13242	6.0
151.11159	1.3
153.12764	2.3
155.10687	4.6
157.10081	1.4
159.11671	6.2
161.13249	4.0
163.11195	3.3
163.14818	2.0
173.09566	1.8
173.11728	13.3
173.13283	7.7
175.11166	1.2
175.14803	2.0
181.12151	2.1
185.13290	1.6
187.14853	1.8
189.11201	1.9
193.12231	1.7
197.44727	1.1
199.13280	9.0
209.11728	2.4
217.14351	1.4
220.11293	1.3
227.12791	4.9
229.14371	40.7
243.21144	3.9
245.13741	1.7
261.22125	12.8
267.15823	3.0
277.21530	1.9
301.16489	13.1
317.24643	2.8
333.24243	1.3
335.25824	65.9
363.25165	1.3
378.21054	1.4
465.21429	1.5
466.21005	2.1
477.35770	6.6
487.77417	1.5
489.35715	14.6
504.02222	1.4
517.36951	1.3
543.36670	3.1
561.37671	6.7
579.38733	1.2
690.35309	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	775.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05495	2.6
57.03419	2.0
59.04978	0.6
61.02929	4.5
67.05495	4.3
69.03426	4.9
69.07047	2.6
70.84969	1.0
70.85280	0.8
71.04985	1.1
73.02911	4.0
75.89703	0.5
76.68674	0.5
79.05491	4.9
79.65282	0.5
81.03410	3.0
81.07051	4.1
83.04961	1.9
83.08601	1.7
85.02890	6.4
91.03943	3.0
91.05473	2.9
93.07036	4.6
95.04951	1.8
95.08588	2.6
97.02879	5.9
97.06548	0.7
97.10159	1.5
99.04455	0.8
101.02369	1.9
105.07002	2.6
107.04940	1.6
107.08585	2.6
109.02875	0.7
109.10146	1.7
117.06999	1.3
119.08553	1.8
121.10126	1.3
123.08073	1.0
125.09648	1.3
127.03913	1.9
129.06953	0.8
135.08055	1.0
135.11658	1.3
145.10126	2.1
147.08051	0.7
147.11682	1.0
149.09540	0.7
153.44904	0.6
163.11188	2.0
164.06818	0.6
173.09586	0.8
184.07288	0.8
185.04384	0.6
223.13226	1.0
243.08437	3.4
249.10896	0.6
291.19559	1.4
331.18753	1.9
336.88971	0.6
449.94534	0.6
465.20712	1.0
467.18881	8.9
549.26794	3.3
775.38776	100.0
776.39203	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	775.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05513	2.8
56.04440	0.6
57.03431	1.5
58.55513	0.6
61.02923	3.9
62.30463	0.6
67.05508	6.2
67.22350	0.6
69.03429	3.6
69.07072	3.0
69.76261	3.7
69.92741	0.6
71.04996	1.1
73.02907	3.0
73.23289	0.5
76.44232	0.6
79.05499	8.3
81.03411	3.7
81.07065	6.7
83.04977	2.1
83.08627	1.3
85.02915	4.5
91.03961	1.8
91.05479	5.3
93.07047	6.2
95.04974	2.1
95.08604	3.1
97.02886	3.9
97.06573	0.8
101.02404	2.3
105.07033	4.6
107.08617	2.8
109.02904	0.9
109.06565	0.8
109.10156	0.9
117.07020	0.7
119.08575	3.3
121.10168	1.5
127.03934	1.2
129.05490	0.8
129.07065	1.4
131.08607	1.1
133.10167	1.8
135.11716	1.0
145.10181	1.2
147.11734	2.7
149.09709	0.6
159.11771	0.7
171.11751	1.3
184.07436	1.4
203.05339	0.8
207.13759	0.6
243.08496	2.7
333.20380	1.8
353.00882	0.7
453.21255	1.2
465.20993	7.9
551.28424	5.6
775.42371	100.0
776.42426	4.6
780.09869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36588	2.1
55.05509	3.5
56.96558	21.0
57.00925	1.9
57.03397	2.8
57.99527	2.0
59.02846	2.2
59.44590	2.6
67.01041	1.9
67.05478	6.2
69.37280	19.7
70.12353	2.1
79.05482	4.1
81.07054	3.1
84.96024	4.3
85.02879	5.0
86.55276	2.2
91.05454	3.8
93.07018	5.9
98.97581	71.7
105.07069	3.6
107.08595	5.2
110.97568	18.8
112.99134	24.0
116.98615	29.4
121.10132	2.3
128.98611	21.2
131.00157	31.9
133.10127	2.8
134.99657	5.8
140.00217	3.0
140.98537	5.3
143.00185	15.9
145.10156	2.1
146.99590	8.5
147.11682	2.9
149.01207	30.2
154.01823	2.3
155.00104	3.6
158.98450	2.9
158.99666	31.2
161.01189	9.8
167.02318	5.3
170.99657	33.9
173.01196	9.5
176.99336	2.4
177.00711	27.2
184.07288	4.5
185.01186	5.9
189.00696	33.8
191.02269	9.9
194.99586	4.3
195.01782	2.6
199.02672	6.9
200.02237	3.7
201.00688	10.4
203.02277	7.0
212.02318	3.6
213.00769	4.1
215.02240	2.7
217.03841	5.3
219.01784	21.2
227.02165	2.5
231.01717	4.8
233.03291	5.0
237.02786	7.3
261.02759	25.4
275.04276	8.8
279.03922	18.7
291.03934	6.9
293.05453	42.3
297.04764	5.6
302.05490	4.8
309.04749	3.7
311.06421	9.7
317.17862	24.0
321.04944	100.0
335.19040	6.2
337.90097	2.6
339.06030	4.6
362.07556	6.6
381.06921	6.1
437.09766	23.7
453.09421	3.2
455.10657	45.8
539.25262	9.3
553.27136	11.7
715.32123	35.8
775.37939	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	775.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03406	1.1
58.95633	0.5
59.67445	0.6
61.02917	1.1
64.01991	0.5
64.73596	0.5
65.03944	4.3
65.40444	0.5
67.05486	1.5
67.87331	0.5
69.03434	7.0
70.23381	0.6
70.23735	2.5
71.04966	1.0
73.02898	0.9
78.04693	2.6
79.05485	3.0
81.03410	2.9
81.07037	1.0
82.04168	1.2
82.78962	0.5
85.02905	10.0
87.04443	0.7
91.05481	7.3
93.03401	1.5
94.04164	0.8
95.04932	1.7
97.02907	2.9
97.06522	1.4
99.04414	0.7
103.05433	2.5
105.07014	1.1
106.04188	1.6
107.04968	3.8
108.02109	1.0
109.02897	1.1
110.03638	2.0
111.04456	1.5
115.05455	6.8
117.06320	0.8
117.07029	9.1
119.04946	7.4
121.06516	0.8
122.03604	1.3
123.04430	7.7
124.05225	2.9
125.05952	2.0
127.03907	1.5
127.05437	1.8
129.06979	0.8
131.04962	2.8
132.05736	0.6
133.02823	1.9
133.06396	0.7
137.05984	12.0
138.03156	1.4
142.02628	2.2
143.04906	1.5
144.05684	1.0
145.06482	14.3
147.04411	10.9
147.08020	2.2
149.05974	0.8
151.03911	4.0
151.07503	1.6
152.04710	3.3
153.05411	2.1
155.06001	5.4
160.05202	1.7
161.05966	2.5
163.07562	0.6
165.05466	2.0
167.07042	100.0
168.07416	1.0
171.06503	3.6
172.05194	0.9
173.05991	23.0
175.07523	2.6
179.07069	3.0
181.04959	89.6
182.05356	1.0
185.05911	0.7
188.04694	0.8
189.05438	1.0
189.07030	0.6
190.06325	0.6
191.07047	2.2
193.08638	1.5
201.05504	1.1
203.07045	6.1
205.08588	8.4
213.05472	0.7
219.06520	1.3
221.06033	0.8
221.08060	2.4
222.06766	0.9
223.07558	1.0
231.06596	2.2
233.08092	9.4
234.08922	0.9
235.07507	1.3
235.09628	8.4
236.08386	0.8
237.09143	1.2
239.07143	1.0
249.07581	1.5
250.06294	1.9
253.08583	0.8
254.09532	0.8
263.06848	0.9
264.07925	1.4
265.08505	1.4
267.06619	1.0
267.10211	0.6
268.07391	0.6
271.09647	0.6
278.05737	0.7
280.07413	0.7
281.08069	0.8
282.08865	1.3
283.09656	1.6
293.08087	2.0
295.09540	0.8
297.11108	2.9
299.09201	0.8
310.08340	2.9
311.09314	0.7
313.10745	0.6
314.11279	0.9
325.10791	3.1
326.11517	2.6
327.08618	0.9
328.08109	0.7
329.13934	1.4
337.10773	0.7
338.08044	0.8
342.10901	1.1
351.24524	1.8
353.10355	0.8
355.11844	1.4
357.13306	10.9
370.10504	0.8
385.12830	49.8
386.13385	1.5
387.14417	13.1
389.47903	0.7
397.13043	1.0
403.13931	14.4
415.13876	10.2
416.14398	1.0
417.15463	20.3
565.20844	2.4
577.19861	1.0
592.07837	0.6
595.21033	3.4
613.23083	3.5
775.28082	35.0
776.28729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.7
56.66037	0.1
58.06617	0.4
58.90060	0.2
60.08162	5.9
65.20058	0.1
67.05504	0.2
69.07087	0.2
69.49035	0.6
69.49453	0.5
70.06599	0.2
71.07376	3.3
75.39790	0.2
86.09704	28.0
98.98462	3.4
104.10733	1.7
105.07040	0.2
125.00003	19.4
173.90320	0.1
184.07335	100.0
185.07681	0.9
288.32233	0.2
355.50031	0.2
496.34064	0.3
516.51294	0.2
565.97009	0.2
756.42224	0.3
756.55194	4.6
757.55005	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	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
55.05508	18.2
57.03442	20.8
57.07060	3.8
65.03944	3.2
67.05505	58.7
69.03423	4.0
69.07070	15.2
71.10850	3.7
71.11200	1.7
79.05494	46.6
81.03416	83.8
81.07057	59.9
83.04974	7.5
83.08623	23.6
85.02831	2.0
91.05476	33.6
93.07047	44.0
95.04967	26.5
95.08041	3.3
95.08608	41.5
97.02898	2.9
97.06528	2.6
97.10145	5.8
104.08363	1.8
105.07031	30.5
107.04954	6.8
107.08591	22.6
109.06512	5.4
109.10152	18.2
109.70500	1.7
111.08055	7.8
115.05453	2.7
117.07001	6.1
119.08582	24.8
121.06493	3.1
121.10141	19.5
123.08060	3.2
123.11692	7.3
125.09612	6.3
129.07011	11.9
131.08557	19.7
133.06509	3.2
133.10136	15.5
135.11699	11.4
137.09607	4.5
137.13184	3.3
143.08487	3.2
145.10129	8.7
147.08089	4.4
147.11688	14.7
149.09677	1.8
149.13222	7.8
157.10132	11.6
159.11703	9.1
161.13264	4.3
163.14816	3.1
165.12720	3.9
169.10175	3.2
171.11633	2.5
173.13310	3.4
175.11177	7.7
175.14822	3.4
184.07330	5.8
187.14862	2.9
189.11217	4.3
193.12242	22.3
199.87993	1.9
204.20932	1.8
227.12820	9.7
233.15279	2.9
243.21019	4.9
249.14941	2.1
261.22116	21.0
267.15915	100.0
279.23325	2.3
285.22119	1.9
301.25150	7.6
317.24741	4.3
329.24530	2.4
335.25793	95.5
336.26224	4.4
421.25970	2.4
435.32568	6.7
453.33865	9.6
456.59833	2.4
471.34628	4.3
475.30072	2.3
527.37341	60.9
528.37659	2.9
545.30499	2.6
545.38373	45.1
569.38190	2.9
582.04999	2.4
749.36896	2.0
783.14392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.1
55.05518	39.0
56.96536	4.6
57.03445	28.3
61.02922	9.3
65.03944	9.2
67.05165	6.0
67.05508	98.6
69.03423	11.1
69.07078	36.6
71.04976	5.8
71.60884	7.1
73.02918	5.2
79.05495	79.3
81.02963	7.5
81.03417	82.1
81.07061	100.0
81.61607	4.0
83.04983	30.5
83.08624	54.1
85.02907	47.4
85.06548	5.9
86.80811	3.7
91.03968	5.2
91.04955	3.4
91.05481	99.8
93.07047	75.2
95.04974	41.0
95.08612	40.3
97.02896	10.2
97.06528	15.7
97.10165	13.7
105.07034	86.1
106.07368	3.7
107.04965	16.4
107.08605	43.7
109.06523	11.3
109.10165	20.7
111.04416	3.9
111.08083	17.6
113.05976	5.6
115.05450	4.2
117.07013	32.6
119.08585	58.1
121.06539	7.2
121.10132	29.1
123.08089	10.4
123.11738	5.4
127.03931	6.4
127.61350	3.7
129.07021	23.3
131.08574	41.8
133.06503	4.7
133.10132	44.4
135.08066	8.1
135.11702	14.3
137.09624	5.0
142.07646	4.3
143.08601	11.5
145.10121	31.6
147.11681	37.8
148.94151	4.1
149.09669	18.5
149.13258	12.5
151.11166	3.9
155.08562	5.4
157.10138	34.1
159.11687	32.2
161.09767	3.7
161.13339	4.7
163.11153	8.5
165.12747	4.8
165.14296	4.4
169.10121	6.0
171.11670	6.9
173.13309	10.8
175.11133	22.9
183.11696	10.7
185.13278	15.5
193.12233	54.3
195.13829	6.3
197.13304	6.5
203.14244	6.3
211.13289	76.2
212.13753	4.2
219.17447	8.1
227.12726	4.6
234.84198	5.1
239.17979	7.6
240.85049	4.5
255.15987	12.5
257.19019	24.7
267.09122	12.6
267.15887	36.3
269.17520	27.8
275.20062	51.1
285.10196	17.6
285.16953	79.9
331.22876	8.5
349.16599	5.1
349.23712	36.1
398.19925	8.0
437.24069	5.8
447.21716	5.2
447.27621	4.7
461.29095	20.2
465.28430	18.1
479.29987	42.0
541.35345	27.7
559.36334	50.1
560.36011	4.3
577.37592	6.9
774.45178	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25089	1.6
55.01867	9.6
55.05263	2.2
55.05510	35.8
57.03177	2.4
57.03438	28.4
57.07069	3.5
58.92699	1.7
61.02909	6.9
65.03931	6.1
66.95069	1.8
67.05506	83.0
69.03419	11.0
69.07069	32.4
70.66392	5.2
71.05004	11.2
71.08643	2.3
73.02898	2.9
75.06795	1.6
77.03920	3.7
79.05492	81.2
81.03419	72.0
81.07056	90.0
83.04990	32.5
83.08613	34.4
85.02909	31.5
85.06499	4.4
91.03940	3.4
91.05478	100.0
93.07044	79.6
95.04972	36.9
95.08605	45.4
97.02892	10.3
97.06522	12.1
97.10159	8.3
99.04478	2.3
99.08088	5.3
103.03924	2.3
103.05425	3.0
105.04523	2.8
105.07034	87.8
107.04963	13.4
107.08599	44.0
109.06523	11.2
109.10178	16.4
111.04439	5.7
111.08089	18.2
115.05431	5.3
116.06249	2.2
117.07020	22.9
119.08584	65.8
121.06486	5.9
121.10131	30.4
121.43077	1.7
123.08078	9.6
123.11704	6.3
125.09615	7.2
127.03913	4.1
128.06189	5.2
129.05457	6.7
129.06995	27.0
131.08565	44.8
133.06462	4.4
133.10135	50.0
134.89395	1.9
135.08069	3.0
135.11688	14.5
137.09579	6.1
141.06972	3.1
142.07820	4.3
143.08562	11.3
145.10127	23.7
147.08054	7.4
147.11687	49.1
149.09604	13.7
149.13249	12.4
151.11235	2.5
155.08534	3.2
157.08745	4.1
157.10086	30.2
159.11700	22.4
161.13255	17.2
163.11166	8.1
163.14891	2.7
165.12762	1.9
169.10152	3.9
171.11642	10.9
173.13220	9.2
175.11166	18.8
175.14810	6.9
177.12750	4.0
179.10645	2.0
184.07333	2.8
185.13277	7.3
187.11322	2.0
187.14867	2.8
189.11165	2.9
189.12718	2.1
193.12244	63.1
193.14005	3.2
195.13795	4.1
197.13257	4.1
199.14824	5.2
211.13292	61.9
213.16360	4.2
223.14754	2.1
227.12787	4.8
229.19505	1.9
231.21143	2.0
239.17979	2.9
241.19492	16.3
257.18967	7.7
259.20569	40.2
267.15894	22.3
269.17392	14.1
275.20041	15.2
277.21646	2.5
283.15393	6.1
285.16980	48.6
293.21075	6.7
301.16422	6.9
313.21625	2.1
315.23129	5.5
331.22852	2.1
333.24237	33.8
349.23715	7.3
351.25113	2.3
365.69803	1.8
433.30743	2.8
451.32077	3.9
461.28741	5.2
479.30048	20.0
507.34253	2.3
525.35803	14.2
543.36719	26.0
559.35797	7.1
577.36877	4.0
647.58588	2.2
775.40857	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	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.6
55.05515	37.5
56.11495	2.3
57.03224	2.4
57.03445	23.9
57.07076	3.2
60.04508	4.4
61.02921	5.1
65.03926	4.6
67.05508	90.3
69.03429	13.3
69.07070	41.6
71.05006	11.7
73.02906	3.8
79.05054	4.5
79.05496	80.1
81.03420	92.3
81.07059	100.0
83.04988	26.2
83.08622	41.9
85.02900	42.6
85.06540	5.4
91.05486	88.2
93.07050	75.2
93.84840	2.4
95.04972	45.7
95.08609	42.3
97.02877	10.1
97.06544	23.2
97.10180	16.7
99.04467	4.3
99.08069	5.0
105.06369	4.4
105.07039	63.0
107.04961	21.2
107.08594	42.6
109.02918	2.7
109.06548	13.6
109.10160	16.3
111.04448	4.1
111.08085	14.9
112.56125	2.4
113.05956	3.8
116.70559	2.4
117.07025	16.8
119.08584	47.6
121.06475	7.8
121.10161	28.2
123.08063	5.9
123.11669	2.2
125.09631	12.5
127.03912	4.2
128.06146	2.9
129.07002	21.3
131.08578	36.6
133.06480	4.0
133.10138	42.5
135.08052	7.7
135.11696	14.4
137.09584	4.1
141.07030	3.9
142.07805	6.4
143.08533	3.7
145.10159	20.3
147.08072	6.7
147.11710	31.4
149.09619	31.2
149.13214	11.4
151.11237	3.9
155.08513	5.1
157.10129	25.9
159.11707	17.2
161.09521	3.3
161.13237	4.1
163.11201	10.5
165.12715	4.5
168.84892	2.5
169.10149	5.7
170.08562	2.9
171.11642	5.6
171.13721	4.4
173.13228	10.0
175.11143	17.4
177.12680	5.7
179.14349	4.4
183.11784	5.7
185.13203	5.8
189.11194	8.8
193.12236	60.0
195.13911	5.8
197.13347	3.8
201.16362	2.7
211.13304	83.3
227.12779	19.0
229.19626	2.8
239.18100	3.3
247.20569	3.1
255.15897	14.0
257.18985	14.5
267.15884	39.6
269.17520	25.9
275.20099	46.4
278.06003	2.4
285.16968	81.3
316.28433	3.8
321.24518	5.3
343.56497	2.4
349.23700	37.2
418.86639	2.7
447.27512	7.6
461.28931	22.7
465.28427	19.5
479.23398	4.0
479.30063	65.9
523.33295	3.2
535.29529	2.6
541.35327	18.3
559.36267	45.3
559.44519	1.9
560.36127	3.5
577.37109	6.6
664.90924	2.8
774.45190	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	34.5
57.03442	16.9
57.07071	5.3
61.02913	15.1
65.03942	5.4
67.05507	100.0
69.03422	11.3
69.07076	29.0
71.04963	4.6
71.61565	4.5
71.61999	4.8
73.02917	8.2
74.36118	3.5
79.05051	6.6
79.05493	82.3
81.03412	11.4
81.07060	98.4
83.04951	3.3
83.08604	13.7
85.02893	13.9
85.06510	3.9
86.09705	21.2
91.03957	3.7
91.05057	2.2
91.05475	80.5
93.07049	92.3
95.04957	10.7
95.08611	65.9
97.02879	14.9
97.06531	5.7
97.10154	9.2
99.08115	3.8
105.07036	68.9
107.08604	49.7
109.02908	4.2
109.10151	32.3
112.57677	3.3
117.07027	27.4
119.08582	59.7
121.10164	39.6
123.11707	9.6
124.99999	12.4
128.06248	4.4
129.06998	19.9
131.08580	42.7
133.10114	42.8
135.08022	4.1
135.11691	30.6
140.36726	3.9
141.07047	5.2
143.08554	16.3
145.10143	42.6
147.11731	31.5
149.13242	13.2
155.08531	8.4
157.10139	23.5
159.11707	38.2
161.13272	25.8
163.11166	3.5
163.14862	4.7
169.10181	10.2
171.11699	23.4
173.13260	22.4
175.14804	11.1
183.11682	9.0
184.07353	64.0
185.07637	7.2
185.13228	15.8
187.14793	10.8
195.11758	7.3
197.13249	7.2
199.14833	10.4
201.16182	4.0
209.13307	8.1
213.16522	5.3
227.18068	4.3
239.17973	4.4
241.19559	22.9
243.21169	6.7
257.19125	5.0
259.20615	43.8
261.22150	8.3
265.13708	4.3
277.21771	4.5
313.52271	3.7
333.24298	29.4
335.25833	67.5
337.27234	5.3
367.02914	3.6
367.22656	7.8
593.45251	11.0
609.44653	4.6
611.46649	84.8
612.47107	5.0
614.49768	5.7
669.41272	10.8
670.42664	4.5
679.88879	4.2
755.50574	6.6
773.43488	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05513	29.8
57.03441	15.1
57.07067	6.9
61.02930	14.7
65.03942	3.2
66.72617	2.1
67.05504	100.0
69.03430	10.2
69.07071	28.4
71.04990	5.9
71.21952	3.8
72.62487	2.6
73.02915	7.8
78.66199	2.4
79.05119	1.7
79.05494	74.0
81.03417	6.5
81.07059	88.4
83.04980	4.3
83.08624	11.7
85.02898	15.0
85.06545	3.8
86.09728	5.0
91.03967	6.3
91.05482	70.8
93.07048	82.6
95.04990	11.1
95.08607	66.7
97.02884	12.0
97.06531	7.0
97.10181	5.4
99.08107	2.9
101.02390	3.5
105.06369	4.4
105.07035	67.4
107.05020	3.7
107.08602	45.8
109.06530	4.6
109.10153	30.4
115.05450	4.2
117.07014	26.1
119.08584	51.7
121.06538	3.4
121.10143	42.2
123.08070	4.0
123.11704	9.4
125.00035	3.5
125.09635	2.5
125.75312	1.9
128.06239	4.8
129.06992	19.8
130.07829	3.1
131.08569	41.0
133.10135	44.3
135.11703	29.1
137.09644	2.9
141.06964	6.2
142.07794	2.4
143.08569	18.1
145.10124	35.6
147.08142	4.3
147.11691	36.3
149.09630	4.8
149.13297	16.5
151.07564	3.4
155.08575	8.6
157.10120	21.8
159.11688	34.7
161.13271	32.6
163.14835	7.0
169.10179	9.5
171.11717	19.8
173.09615	2.9
173.13248	17.3
175.11162	3.5
175.14833	13.1
177.12773	3.5
178.35571	2.4
181.10150	2.5
183.11688	9.5
184.07335	20.0
185.13258	13.9
187.14830	6.7
195.11769	5.3
195.81293	2.2
197.13252	5.7
199.14783	11.1
201.16414	4.7
209.13322	2.2
211.14806	4.5
213.16376	6.6
215.14320	2.5
215.18027	3.4
221.13249	2.5
227.17914	2.4
229.19594	3.9
231.21085	4.9
239.17976	4.2
241.19548	19.8
243.21106	5.4
253.19809	2.3
257.19012	8.3
259.20581	53.6
261.22134	11.2
269.21793	2.4
275.19983	3.2
285.22083	2.5
287.64395	2.4
301.21722	3.4
313.21512	4.0
314.64700	2.5
315.23230	3.4
331.22437	3.0
333.24265	36.2
335.25836	73.8
337.27533	2.5
351.25421	2.1
367.22836	3.9
385.23523	2.5
403.24854	3.0
425.34415	2.5
441.26855	2.3
501.41037	2.5
519.41870	7.7
537.42700	5.1
593.45685	11.5
611.46759	93.4
611.56793	4.8
612.47095	5.8
701.46997	3.3
719.48633	3.6
755.50684	4.8
773.52386	9.9
774.52557	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06498	2.5
55.01870	5.6
55.05292	2.9
55.05511	31.1
57.03445	15.6
57.07068	8.0
59.94242	2.4
61.02934	14.6
65.03925	5.8
67.05507	100.0
69.03409	8.1
69.07070	27.9
69.23666	26.7
71.04984	5.6
72.35257	2.3
73.02914	6.7
79.05049	4.6
79.05495	76.2
81.03416	10.1
81.07060	98.8
82.07421	3.4
83.04955	2.5
83.08621	18.3
85.02901	14.8
85.06545	5.5
86.09703	9.3
89.11425	3.0
91.03967	5.8
91.05479	64.0
93.07043	94.8
95.04953	11.2
95.08605	79.1
95.09212	4.1
97.02879	12.1
97.06536	8.4
97.10180	6.0
105.07029	69.4
107.08595	55.0
109.06516	3.5
109.10151	27.7
111.08070	6.0
113.25872	2.9
117.07010	27.2
119.07763	5.3
119.08581	62.1
121.06528	3.4
121.10144	47.8
123.11732	8.5
124.99985	6.1
125.09669	4.7
128.06160	3.5
129.07025	16.5
131.08582	44.3
133.10133	54.6
135.08075	4.8
135.11696	36.1
141.07018	4.2
143.08569	15.3
145.10124	39.0
147.11687	39.1
149.13257	17.7
155.08560	5.8
157.10124	17.9
159.11688	28.1
161.09657	5.3
161.13258	28.3
161.71112	2.6
163.14810	7.3
168.09270	2.7
169.10129	9.9
171.11613	17.1
173.13287	24.3
175.11215	6.2
175.14845	13.5
177.12732	3.8
177.16365	3.5
181.10167	5.6
183.11716	8.1
184.07356	38.2
185.07681	4.7
185.09579	2.8
185.13271	15.4
187.11331	3.2
187.14798	11.2
197.13304	7.2
199.14830	10.9
201.16351	5.2
209.13266	4.8
211.14845	3.8
213.16377	6.2
215.17941	2.9
225.16507	3.1
227.14252	2.6
231.17468	3.0
231.21097	7.3
239.17897	4.5
241.19518	22.8
243.21216	3.4
257.18994	9.5
259.20560	51.9
261.22089	11.3
271.20703	3.9
275.20111	3.1
283.20593	3.8
301.21655	5.7
313.21927	4.3
315.23196	6.9
331.22687	3.1
331.89163	2.6
333.24240	33.9
335.25797	88.7
336.26160	2.9
337.27481	4.1
349.21576	4.5
365.23309	3.3
367.22714	5.9
378.03622	2.6
403.24979	3.2
441.26450	3.0
519.41888	6.6
593.45404	10.8
609.45007	5.4
611.46710	90.0
612.46429	5.1
623.46362	3.4
701.47498	3.4
713.25800	2.7
719.47595	2.8
737.48511	5.0
755.50800	3.0
773.51648	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	773.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76449	1.0
55.05526	1.4
57.03421	1.0
57.07064	1.1
60.08162	0.9
61.02915	0.8
65.18711	0.8
67.05507	3.9
69.03423	0.9
71.08633	1.2
71.22108	1.6
73.02922	1.5
78.51715	0.7
79.05502	2.6
81.03415	1.0
81.07060	3.0
83.08646	1.0
85.02913	1.4
86.09717	7.5
91.05504	1.6
93.07041	2.1
95.08611	2.8
97.02895	1.4
98.98463	1.6
104.94901	0.8
105.07072	0.9
109.10177	3.1
113.50378	0.8
119.08572	1.4
124.99995	5.8
133.10101	0.8
145.10182	0.8
147.80824	0.8
151.11139	0.9
184.07349	24.6
185.07748	2.7
194.00966	0.7
242.38618	0.8
335.25198	1.1
413.17819	2.3
497.30850	1.6
551.42810	0.8
614.48248	1.5
669.41864	22.7
670.42139	1.0
773.44440	100.0
774.45227	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	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.1
56.05035	0.7
56.93023	0.1
57.07069	0.2
57.72168	0.1
58.06328	0.2
58.06633	0.5
60.08165	5.4
63.68406	0.1
67.05523	0.2
70.06577	0.1
70.78877	0.2
71.07371	3.4
71.08594	0.1
77.23284	0.1
79.05486	0.1
81.07069	0.2
86.09706	29.5
87.10066	0.3
98.20725	0.1
98.98466	3.3
104.10740	2.0
105.07053	0.1
125.00005	20.2
153.63895	0.1
184.07339	100.0
185.07697	0.6
308.29303	0.1
496.34167	0.1
636.46063	0.1
754.53784	3.5
755.53485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05513	7.7
57.03435	4.2
57.07067	1.4
61.02928	2.9
65.03925	0.8
66.93290	0.7
67.05505	8.5
67.20006	0.8
69.03435	6.1
69.07072	9.4
71.08652	0.8
73.02919	20.2
77.90402	0.7
79.05489	3.2
81.03416	2.6
81.07055	19.5
83.01335	1.8
83.08607	3.5
85.02904	12.9
85.06546	3.0
91.05483	1.1
93.07022	2.0
95.08611	16.4
97.02895	7.0
97.10177	2.2
99.00824	5.5
99.04462	3.1
105.07021	1.7
107.04948	1.5
107.08597	1.1
109.02884	2.1
109.10143	6.6
113.02380	0.9
115.03940	3.0
119.08577	0.9
121.10149	1.1
121.76448	0.8
123.11759	3.7
125.06091	0.7
127.03916	2.2
131.08630	1.0
133.05003	1.8
133.10126	1.0
133.50635	0.8
137.06003	2.1
137.13306	1.7
139.07539	1.2
145.05000	1.3
145.10120	1.4
149.05983	1.7
149.09528	0.8
151.07555	1.2
153.05470	1.9
155.07047	1.4
161.05988	1.5
161.09639	1.1
163.03871	1.7
163.07515	1.5
167.07079	2.4
171.07985	1.3
175.07603	2.1
177.05484	6.0
177.09154	1.4
180.10217	2.1
181.04968	11.9
183.06543	6.5
185.13449	0.7
189.09119	9.0
191.07068	2.0
195.06535	28.5
203.10745	2.5
205.12215	1.1
207.06552	2.1
209.08098	14.3
221.08188	1.1
223.09669	19.3
235.09679	2.6
237.11205	22.0
249.11227	12.9
251.12717	7.3
261.11346	0.9
263.12891	4.6
265.14444	3.2
277.14417	1.4
279.15836	1.8
291.15930	1.2
293.17511	2.3
305.17471	2.4
307.19031	5.2
319.19208	4.8
333.20581	2.1
361.23929	1.2
379.24777	0.8
443.26398	0.9
443.31497	5.4
461.32651	100.0
462.32983	3.1
479.33688	81.3
480.34097	2.6
623.37793	7.7
641.38989	29.2
642.39502	1.4
773.42834	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	772.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22381	1.9
55.01866	8.1
55.05513	25.1
55.45046	1.8
57.03434	18.1
57.07069	2.8
58.00496	1.9
59.04997	2.9
61.02935	4.9
65.03949	3.0
65.88878	2.0
67.05505	76.9
68.88190	1.9
69.03441	5.1
69.07065	20.0
69.94541	11.2
71.01331	3.5
71.04983	8.9
77.03952	2.3
79.05496	64.9
81.03411	28.9
81.07058	70.9
83.01363	2.6
83.04982	16.0
83.08633	12.2
85.02897	10.3
85.06536	5.0
86.09702	10.6
91.03947	2.7
91.04958	3.1
91.05482	37.7
93.07045	65.7
95.04979	14.1
95.08609	51.0
97.02878	10.2
97.06523	6.6
97.10152	4.5
105.07031	18.7
107.04955	17.4
107.08598	30.9
109.06525	10.1
109.10137	19.1
111.04440	23.7
111.08111	3.6
117.07028	15.2
119.07168	2.2
119.08584	22.1
121.06500	8.1
121.10143	25.5
123.08068	6.4
123.11704	6.0
125.00007	6.0
125.05972	9.1
125.09658	5.3
129.06999	5.4
131.08568	18.5
133.10104	9.5
135.08057	5.9
135.11693	22.9
137.09605	3.8
143.08559	2.3
145.06520	3.1
145.10132	26.6
147.08037	5.3
147.11691	6.3
149.09676	2.5
149.13263	4.8
153.12735	8.0
155.08607	2.4
159.11670	7.4
161.13239	3.3
163.11168	33.2
165.70494	2.5
173.09593	6.6
173.13223	4.5
177.12727	2.2
181.12273	7.7
183.11630	2.1
184.07332	34.7
187.06320	2.1
191.10612	5.1
209.11729	9.1
223.13307	16.0
227.12762	13.0
241.14319	28.1
243.21030	4.0
261.22043	10.3
265.14340	6.0
283.15390	15.5
297.16888	3.1
315.18033	45.0
317.24625	2.9
335.25793	100.0
336.26434	2.6
408.08002	2.5
433.30832	2.0
451.32074	3.9
525.35913	12.3
543.36841	59.9
561.37762	2.7
575.39392	97.2
576.39404	5.6
610.45239	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	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.6
56.20533	0.3
57.07055	0.3
58.06619	0.4
60.08164	6.5
67.05484	0.3
71.07377	3.2
71.43645	0.4
71.44054	0.3
73.02930	0.3
81.07014	0.4
81.94409	0.3
86.09705	30.5
95.08549	0.3
98.98458	2.8
104.10736	2.9
106.74867	0.3
110.07148	0.9
110.28510	0.3
115.79042	0.3
121.10126	0.4
124.27768	0.2
125.00005	18.7
133.10043	0.3
169.94514	0.3
184.07339	100.0
185.07635	0.6
280.12143	0.3
442.24365	0.3
451.46924	0.3
595.94598	0.3
772.54688	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	15.0
55.05510	33.7
57.03439	26.1
59.04996	3.8
61.02931	6.1
67.05502	60.4
69.03429	12.5
69.07072	22.6
71.04996	9.3
71.61475	4.7
73.02896	5.3
79.05495	68.9
81.03416	21.9
81.07055	81.6
83.01343	10.2
83.04976	23.7
83.08614	25.1
85.02906	14.5
85.06533	5.6
91.05484	58.4
91.06010	6.8
93.07037	76.0
95.04975	20.1
95.08597	39.1
97.02875	9.7
97.06551	20.5
97.10154	10.1
99.08097	5.8
103.05435	5.6
105.07030	48.1
107.04954	15.8
107.08599	43.1
109.06519	12.0
109.10172	17.0
109.78472	3.0
111.04480	6.8
111.08096	4.7
115.05489	3.1
117.07014	27.0
119.08585	35.3
121.06479	6.4
121.10127	25.3
123.08064	11.7
123.11713	6.3
125.09597	10.4
127.03880	3.7
128.06183	4.4
129.06976	12.8
131.08554	29.4
133.10120	29.8
135.08067	5.9
135.11702	26.7
137.09647	7.0
143.08583	8.3
145.06531	5.4
145.10135	45.9
147.08081	4.3
147.11699	14.4
149.09589	12.0
149.13243	8.0
153.09317	3.5
153.12729	4.6
155.08554	6.7
157.10133	9.2
159.11725	18.2
161.09554	4.8
163.11208	44.0
173.09669	6.1
173.13266	7.6
175.11147	5.7
177.12616	3.8
181.12140	6.7
183.11649	3.9
184.07318	7.1
185.13286	9.9
189.11308	4.3
193.12251	4.9
195.13866	6.1
197.13229	4.2
205.04404	3.2
209.11755	10.9
227.12831	30.1
239.18013	3.8
249.83551	3.5
255.15973	12.6
257.19022	16.6
259.11612	3.5
267.15927	5.5
269.17508	18.6
275.20059	39.2
283.15399	100.0
291.19641	8.2
293.21313	3.8
331.22623	5.4
349.23734	30.0
367.24966	5.6
463.26974	22.5
477.28445	66.4
517.31714	6.7
539.33582	10.1
557.34790	44.6
575.35443	12.3
707.93018	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92445	2.6
55.01884	20.0
55.05513	54.7
57.03434	28.6
57.07063	3.6
57.76109	2.5
59.04994	3.1
61.02920	9.2
65.03931	4.6
67.05506	89.0
69.03429	15.2
69.07069	47.2
71.01338	2.8
71.04980	9.5
71.61980	2.6
73.02901	3.8
79.05493	99.6
81.03420	56.5
81.07059	100.0
81.44405	3.3
83.01356	11.6
83.04984	28.3
83.08617	35.3
85.02908	27.8
85.06538	6.8
87.44938	3.0
91.03933	2.9
91.05482	76.3
91.77116	3.1
93.07045	80.3
95.04974	33.8
95.08606	38.5
97.02870	18.1
97.06522	20.9
97.10138	19.1
99.04446	7.5
103.05496	2.8
105.07028	60.4
107.04947	22.1
107.08591	51.6
109.06504	17.1
109.10175	17.3
111.04437	6.9
111.08100	11.9
117.07027	34.9
119.08583	41.3
121.06511	9.3
121.10146	24.1
123.08082	17.6
123.11684	4.9
125.05914	2.8
125.09612	14.5
127.03947	5.5
128.06250	4.0
129.07007	11.6
131.08545	27.4
133.06512	3.3
133.10129	25.9
135.08052	8.3
135.11716	25.2
137.09615	5.8
143.08553	6.2
145.10121	31.9
147.08061	8.8
147.11673	17.5
149.08597	3.2
149.09624	20.9
149.13225	7.6
151.11165	4.0
153.12759	4.7
155.08559	3.8
157.10124	15.3
158.02487	2.7
159.11691	13.1
163.11166	36.9
169.10068	3.3
171.11638	4.0
173.09628	4.3
173.13211	5.3
175.11177	6.5
177.12752	3.2
181.12202	5.8
183.11667	3.1
187.11107	3.5
189.11208	9.1
189.12820	3.3
193.12183	19.5
195.13887	5.0
209.11732	9.7
211.13277	24.2
223.13345	9.1
227.12764	32.3
239.18024	3.1
255.15875	10.2
257.18964	9.5
267.15839	13.9
269.17407	17.3
273.18594	10.9
275.20102	34.9
283.15393	93.0
285.17035	22.5
291.19547	58.3
309.20554	4.3
310.41464	3.0
349.23694	29.6
365.23166	21.7
453.24664	4.1
459.27426	3.6
463.27112	18.2
477.28452	74.4
539.33563	3.3
557.27087	4.5
557.34821	59.4
569.64673	3.1
573.67773	3.0
575.35791	33.9
770.61572	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	772.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46455	1.2
55.01880	9.9
55.05260	1.9
55.05514	23.2
57.03437	16.2
57.07081	1.5
59.04994	2.6
61.02935	2.4
65.03932	2.7
67.05157	2.9
67.05502	43.1
69.03428	7.0
69.07070	19.2
70.72755	3.3
70.73111	1.5
71.01366	2.5
71.04992	5.3
79.05492	49.0
81.03418	21.5
81.07054	56.0
82.26725	1.4
83.01340	9.1
83.04976	15.0
83.08623	18.6
85.02902	9.8
85.06519	3.8
85.76775	1.5
86.09740	1.9
91.05477	41.4
93.07040	56.9
95.04964	11.6
95.08600	21.2
97.02922	7.1
97.06526	11.7
97.10165	6.0
99.04473	4.0
99.08079	2.3
105.07027	31.9
107.04954	11.0
107.08591	34.9
107.09283	2.7
109.02884	2.1
109.06524	12.0
109.10138	10.0
111.04438	2.1
111.08098	6.8
111.11687	1.6
115.05388	2.1
117.07013	15.5
119.08572	20.6
121.06539	7.0
121.10147	16.6
122.75748	1.5
123.08042	12.0
123.11705	2.7
125.06018	3.8
125.09692	3.4
125.94197	1.8
127.03903	3.1
129.05461	2.2
129.06996	5.5
130.07779	1.7
131.08553	16.7
133.10127	19.7
135.08064	4.6
135.11699	19.6
135.94894	1.5
137.09642	3.5
143.08569	3.9
143.98439	1.5
145.06448	2.0
145.10124	20.9
147.08109	2.9
147.11664	8.4
149.09583	9.4
149.13246	7.6
151.11201	3.4
153.12708	3.6
155.08566	3.3
157.10127	3.6
159.11711	9.1
161.13196	1.8
163.11176	23.9
171.11713	1.9
173.04488	2.2
173.09641	3.7
173.13222	3.4
177.12813	2.3
181.12234	4.6
184.07347	5.2
189.11267	1.7
191.10655	3.4
193.12265	2.8
195.13814	6.6
209.11699	7.0
211.13330	4.0
227.12778	7.3
229.14293	3.1
229.19519	1.6
252.37997	1.8
253.14323	3.7
255.15903	9.0
257.19077	2.9
259.20435	2.1
265.14319	2.1
268.72421	1.6
269.17480	29.6
273.18463	2.2
275.20099	19.4
283.15384	71.9
285.16998	1.9
291.19513	3.6
293.21048	3.4
349.23718	13.4
367.24689	3.8
399.18399	1.6
413.21597	2.1
437.25351	4.1
438.24164	1.9
459.27649	2.3
463.26828	19.1
477.28467	100.0
478.28702	1.8
481.27814	1.6
539.33557	1.9
543.30096	1.6
557.34729	19.3
575.35626	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51689	1.4
55.01863	2.7
55.05515	11.0
57.03434	4.2
57.07074	2.2
61.02925	16.5
62.83517	1.4
65.02186	1.3
67.05504	30.3
69.03432	8.7
69.07081	10.5
69.51273	2.7
69.51675	8.2
71.04987	2.9
72.98251	1.8
73.02911	6.9
74.38913	1.6
79.05488	18.7
81.03420	5.7
81.07057	23.7
83.08624	4.3
85.02902	14.3
86.09700	2.4
91.03950	4.5
91.05474	16.0
93.07046	19.0
95.04963	3.7
95.08614	21.5
97.02894	14.1
97.06532	3.1
97.10134	3.9
98.20727	2.4
101.02444	1.8
105.07035	18.5
107.08605	13.6
109.02870	2.2
109.06532	1.9
109.10149	9.4
110.75524	1.8
111.08086	2.0
117.07008	11.9
119.08576	15.3
121.06506	1.8
121.10159	5.3
121.14996	1.7
123.11676	2.7
127.03843	2.8
129.06995	10.3
131.08553	15.2
133.10156	8.6
135.11703	5.7
141.06992	5.9
142.07796	2.3
143.08563	12.0
145.10101	13.0
147.11696	6.5
149.13269	3.8
155.08554	12.5
157.10127	12.8
159.11649	10.0
161.13304	3.0
165.06995	1.9
167.08597	5.3
169.10115	13.0
170.10883	1.8
171.11678	10.5
173.13313	6.5
179.08609	2.9
179.94571	1.6
181.10156	6.6
183.11676	13.8
184.07344	7.9
185.13264	7.5
187.14816	2.2
193.10075	3.9
195.11699	7.0
197.13235	9.2
199.14822	6.7
207.11723	2.9
209.13254	6.9
211.14786	4.7
213.16393	2.0
221.13249	4.5
223.14842	4.3
225.16365	5.6
227.39737	1.8
233.13272	2.2
235.14790	2.6
239.17935	4.0
249.16309	2.4
263.17822	2.4
337.25311	2.3
517.40607	8.3
527.37231	2.0
535.41254	4.8
539.37909	2.3
591.44037	6.2
607.43970	2.2
609.45074	100.0
610.45422	4.6
618.75916	2.1
706.03326	1.8
735.47565	2.8
753.48322	2.0
771.50336	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05516	11.9
56.40108	0.6
57.03449	4.6
57.07067	2.1
61.02929	15.4
65.03935	2.3
67.05507	23.3
69.03427	8.4
69.07072	11.0
69.25897	4.2
69.26321	3.2
71.01358	1.9
71.04983	1.9
73.02921	7.9
79.05491	15.9
79.69396	0.8
81.03422	3.6
81.07058	22.1
83.04992	1.9
83.08624	5.6
85.02906	12.8
85.06538	1.3
85.10123	0.7
91.03978	7.5
91.05478	13.4
93.07050	17.3
95.04967	2.1
95.08611	17.2
97.02893	10.8
97.06528	2.6
97.10169	3.2
99.04450	1.3
101.02385	1.4
105.07034	15.1
107.04977	0.8
107.08605	10.7
109.06504	1.1
109.10165	7.5
111.04404	0.9
111.08073	1.1
114.00513	0.7
115.03918	0.9
115.05479	2.3
117.07015	7.5
119.08593	13.7
121.10134	5.9
123.08081	0.9
123.11736	2.2
125.09659	1.4
127.03923	2.0
128.06238	2.6
129.07008	10.1
130.07806	1.0
131.08575	15.0
131.09505	1.2
133.10129	8.3
135.08165	1.0
135.11681	4.7
137.09642	1.0
141.07008	4.4
142.07791	2.8
143.08548	12.8
145.10123	12.3
146.10750	0.8
147.11726	5.5
149.13304	2.5
153.07039	2.1
155.08566	9.6
157.10124	12.5
157.11311	1.3
159.11682	8.0
161.13287	3.3
163.11151	0.9
166.07756	0.8
167.08545	5.1
168.09366	1.8
169.10133	12.1
170.10878	0.9
171.11681	9.3
173.13239	4.6
175.14879	1.6
179.08551	1.9
181.10143	6.4
182.10931	1.7
183.11699	11.5
184.07404	1.1
185.13246	7.2
187.14854	3.2
189.16328	0.8
193.10147	2.9
194.10869	1.1
195.11699	6.1
197.13255	10.5
199.14812	4.9
201.16409	0.9
205.10165	1.4
207.11746	2.6
208.12527	1.3
209.13301	6.0
210.14049	0.8
211.14818	6.0
213.16473	3.1
219.11694	1.1
219.59055	0.9
221.13261	1.8
223.14824	4.5
225.16525	2.3
227.18202	1.8
233.13324	1.2
235.14861	2.2
237.16504	2.9
239.18069	1.8
241.19685	1.0
247.14856	1.3
249.16444	1.5
251.17943	1.8
259.20779	1.0
265.19485	1.4
267.21249	0.9
295.20648	0.8
297.22150	1.0
298.14270	0.7
309.92606	0.8
311.23666	1.0
321.22040	1.1
325.21631	0.9
333.25034	0.9
337.25360	1.6
339.23123	0.9
351.26859	1.6
367.26636	1.2
377.28491	1.1
381.28088	1.1
387.26520	0.8
391.29953	1.6
393.27655	1.3
394.92908	0.9
425.30035	1.0
475.34671	0.9
482.35706	1.0
499.39331	1.2
501.35364	1.3
509.36942	1.1
515.37762	1.1
517.40680	6.2
521.36414	1.4
525.35687	1.3
535.41333	3.3
539.36993	1.7
541.38916	0.9
545.38019	2.0
551.40753	1.0
565.40009	0.8
573.43127	1.0
591.44080	7.2
607.43317	2.1
609.45129	100.0
610.45618	5.6
621.44836	1.0
651.46436	1.1
735.47833	1.4
753.49207	1.8
771.50610	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04778	0.2
56.05029	0.7
57.07084	0.2
58.06370	0.2
58.06611	0.4
59.07413	0.2
60.07869	0.4
60.08167	6.2
61.01577	0.2
67.05497	0.4
67.14824	0.2
67.84743	0.1
69.07090	0.2
69.49530	0.6
69.49946	0.5
71.07375	3.5
71.08620	0.2
71.25586	0.2
74.63559	0.2
79.05527	0.2
79.33044	0.1
79.91866	0.2
81.07045	0.3
86.09707	32.4
87.10047	0.2
91.05506	0.2
95.08604	0.2
98.20761	0.3
98.98466	3.7
104.10751	2.8
105.07044	0.2
125.00006	23.0
160.09209	0.2
184.07343	100.0
185.07701	0.7
198.35962	0.2
228.84109	0.1
290.40045	0.2
330.36081	0.2
371.01434	0.2
417.31757	0.2
496.34174	0.3
770.53223	5.3
771.53796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.2
55.05289	2.9
55.05507	30.2
57.03421	10.4
61.02911	3.1
65.03931	2.7
66.25492	2.3
67.05505	83.3
68.68906	2.2
69.03407	4.3
69.07072	28.6
70.19385	6.0
70.19774	5.8
71.04980	5.5
79.05494	100.0
81.03408	16.9
81.07053	77.6
83.04980	20.9
83.08611	14.8
85.02876	4.2
85.06552	2.9
86.09686	2.9
90.11436	3.0
91.05489	81.5
91.06066	3.8
93.07044	93.6
95.04981	22.2
95.08039	3.8
95.08607	45.8
97.02900	4.8
97.06524	19.9
97.10153	11.1
102.80898	2.3
105.04482	4.0
105.07030	65.8
107.04967	14.3
107.08594	39.7
109.06507	8.9
109.10148	9.7
111.08080	6.3
113.09621	2.4
117.07017	24.2
119.08587	42.4
121.06515	7.2
121.10149	15.0
123.08050	7.9
123.11695	3.1
125.09665	4.0
127.03919	3.4
128.06200	3.9
129.06972	20.0
130.07785	2.8
131.08574	18.4
133.06497	3.4
133.10114	25.5
135.08052	5.1
135.11674	9.4
143.08572	14.4
145.10161	23.2
147.08020	2.6
147.10643	3.3
147.11691	43.1
149.09599	11.4
149.13293	4.6
151.11218	3.1
157.10040	3.1
159.11681	10.7
161.09581	3.7
161.13297	13.6
163.11169	9.6
169.10072	2.9
171.11693	26.9
173.09492	2.3
173.13206	3.1
177.12729	4.7
179.14377	3.8
183.11789	3.1
189.11214	3.6
189.12747	9.7
195.13789	4.8
197.13237	3.8
197.59186	2.7
207.13808	29.8
225.14647	3.3
227.12756	13.8
239.17758	5.6
253.14114	3.2
255.15944	7.1
257.19046	8.9
269.17499	10.1
275.20108	37.8
281.17493	83.0
282.17587	2.8
293.21024	2.5
321.97592	2.4
331.22623	3.6
331.82120	2.4
349.23810	21.3
367.24734	3.9
377.23019	3.2
435.27194	3.4
451.26971	3.2
461.28970	24.4
475.30557	95.5
476.30966	5.7
515.33685	3.7
517.18781	2.8
537.35632	4.4
555.36884	56.6
573.37317	3.4
619.34253	4.3
635.92810	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	770.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.9
55.05505	28.2
57.03435	10.4
59.04987	2.9
61.02933	3.0
65.03939	2.7
67.05502	32.9
69.03434	10.7
69.07066	24.1
69.82880	9.5
71.05003	3.9
79.05486	36.3
81.03409	16.8
81.07050	32.6
83.01336	6.8
83.04980	12.0
83.08613	13.2
85.02904	5.9
85.06540	2.4
91.03890	1.6
91.05476	26.0
93.07035	33.0
95.04964	14.6
95.08602	15.8
97.02905	15.2
97.06531	5.2
97.10162	10.4
99.04445	2.5
105.07020	20.8
107.04927	9.8
107.08596	26.0
109.06528	8.0
109.10159	9.3
111.04455	2.5
111.08068	3.3
113.94282	1.5
116.17933	1.3
117.07016	11.2
119.08562	19.2
121.06497	5.3
121.10152	7.3
123.04421	1.7
123.08060	12.1
123.11710	2.5
125.09652	9.9
129.07008	5.5
131.08531	10.5
133.06483	4.5
133.10109	9.3
135.08061	5.1
135.11671	9.6
137.09641	4.0
143.08598	4.5
145.10110	17.7
147.08015	8.0
147.11696	5.2
149.09621	3.8
153.09135	1.8
153.12820	1.8
155.08493	1.7
157.10101	2.8
159.11676	4.0
161.09602	3.2
161.13310	1.6
163.11143	17.7
171.11595	3.6
173.09590	2.7
177.12744	1.7
181.12221	3.3
183.11629	1.7
184.07274	3.0
185.13275	3.9
189.11215	4.2
191.10608	3.7
197.60309	1.7
205.12224	1.7
209.11739	6.5
223.13289	16.9
223.28717	1.6
227.12816	7.2
249.14899	1.8
253.14424	2.5
257.19104	1.8
273.18512	18.8
281.17471	2.9
283.15378	74.2
291.19519	97.0
347.22241	2.5
365.23190	46.9
493.27820	3.6
541.35522	2.9
544.39215	2.1
555.33728	3.4
573.34167	100.0
574.34052	2.1
608.43500	1.8
770.49780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4576
Annotation	Bacopaside IV
Peak:m/z	Relative Intensity
53.48776	4.4
55.05502	11.3
56.96572	5.0
57.03433	7.6
65.63218	4.1
67.05499	16.7
69.03419	13.0
69.07054	10.9
71.04974	7.7
73.02917	5.8
79.05482	15.3
81.03408	10.9
81.07071	46.9
83.08614	8.3
85.02911	36.3
87.04444	4.3
91.05480	9.3
93.07043	28.3
95.08612	63.6
97.02897	22.9
98.20699	8.5
105.07005	16.3
107.08598	36.9
109.10158	32.8
110.92582	4.0
119.08545	8.8
120.96336	4.8
121.10168	29.2
123.11695	12.5
127.03920	6.8
129.06955	4.0
131.08556	12.3
133.10172	20.5
135.11668	14.8
137.05939	5.7
137.13229	13.0
139.11183	10.9
143.08479	5.0
145.04900	10.6
145.10095	11.1
147.07928	4.5
147.11725	14.3
149.13242	39.0
159.11673	7.9
161.13254	8.5
163.14775	8.4
171.11652	9.5
173.13269	7.8
175.14856	10.3
177.16403	42.4
187.14830	14.7
189.16367	8.6
195.17448	12.0
199.14857	5.4
201.16345	6.0
203.17953	15.7
213.16348	11.3
215.18074	9.0
226.71193	4.1
227.18098	5.7
229.19289	5.6
232.28911	4.4
235.60057	4.3
240.64236	4.2
241.19536	8.4
255.21039	4.9
259.17068	7.4
267.31906	5.1
357.40872	5.0
377.30844	4.1
391.33667	5.5
397.31168	5.6
409.34879	22.1
437.34174	100.0
455.35434	9.5
468.03537	5.1
767.37750	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	765.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63754	0.9
55.01866	2.0
55.05517	6.1
57.03440	11.4
59.04980	1.6
60.45300	0.9
61.02905	2.9
64.96180	1.0
65.03911	1.1
67.05505	5.0
67.23757	1.0
69.03079	0.9
69.03431	16.2
69.07050	4.6
70.10025	0.9
71.01358	2.1
71.04996	54.2
71.61748	0.8
71.62146	1.6
72.74092	0.9
73.02919	9.3
75.04474	3.3
75.27076	0.9
79.05492	7.4
80.51879	0.9
81.03436	4.9
81.07066	9.8
83.04987	10.1
83.08624	2.1
84.53288	1.2
85.02910	100.0
85.06528	1.9
87.04465	3.6
91.05482	10.1
93.07042	8.4
95.04948	4.6
95.08612	13.1
97.02888	17.6
97.06519	3.0
99.04477	8.1
99.08101	6.0
99.29733	1.0
103.03959	0.9
103.05466	2.2
103.39739	1.0
105.07036	30.0
107.08593	14.1
109.02866	3.4
109.06519	2.2
109.10165	7.0
111.04449	6.8
111.08122	1.1
115.03943	9.6
117.05488	3.2
117.06999	2.9
119.07777	1.9
119.08589	30.2
120.08874	1.4
121.06517	2.5
121.10162	9.3
123.08085	2.7
123.11703	2.5
125.05983	3.3
127.03907	4.1
128.06180	1.2
129.05492	27.1
129.06989	2.1
131.04930	5.3
131.08549	14.0
133.04965	2.1
133.06474	1.4
133.10136	18.3
135.11699	11.7
137.06038	2.5
137.09656	1.7
139.03893	2.1
143.08549	3.0
145.04961	6.1
145.06435	1.3
145.10144	6.7
147.06549	7.4
147.07884	4.9
147.11696	13.5
149.04936	1.1
149.06006	15.3
149.09627	1.4
149.13232	3.6
151.07520	2.4
153.05450	2.0
155.08600	1.1
157.05026	1.4
157.10124	3.6
159.11693	4.5
161.09610	2.7
161.13216	2.2
163.06050	3.2
163.07465	1.5
163.11223	1.2
163.14827	2.8
165.09137	2.7
165.12778	1.1
167.07024	3.2
169.10175	2.1
171.06599	1.5
171.11653	2.7
173.09612	2.0
173.13263	12.7
175.11256	2.6
175.14851	4.8
183.11615	2.2
185.13222	3.5
187.14859	4.6
189.16388	81.2
190.16618	2.1
191.14354	1.5
191.17969	16.7
193.12363	1.3
193.15877	1.3
195.11577	1.1
199.14664	1.6
201.12804	5.4
201.16394	2.9
203.14311	3.3
205.15904	1.1
207.17445	41.7
207.19385	2.4
208.17741	1.4
209.13239	1.4
213.16360	1.6
215.17767	1.1
217.12294	2.0
219.13823	27.4
225.07594	4.4
229.15990	1.1
233.15378	1.5
235.16867	1.6
237.14915	2.3
243.08569	4.4
245.11667	1.6
261.09644	2.0
273.09674	1.1
279.10745	4.3
335.22171	2.6
339.21677	4.3
351.18024	1.5
353.23196	1.2
405.31494	5.6
407.32910	2.9
408.34427	1.0
408.40479	1.1
420.42291	1.1
421.07944	1.1
423.32574	38.1
424.32593	1.3
425.34055	2.1
426.34265	1.1
437.34250	2.0
441.33664	42.1
442.33929	1.2
443.35168	1.4
469.33157	3.1
487.33456	2.0
557.86896	1.2
562.12964	1.0
573.38031	4.8
619.38409	2.4
703.44940	1.5
719.43622	14.3
765.42969	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	765.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.5
57.03439	10.9
61.02917	1.7
67.05479	3.4
69.03432	16.5
69.07067	4.7
71.01350	2.2
71.04995	68.3
71.49912	1.1
71.62154	1.4
73.02917	9.6
73.06525	1.1
75.04470	2.9
78.14857	0.9
79.05497	5.7
81.03410	1.6
81.07063	10.6
83.04978	7.9
83.08602	2.7
85.02906	100.0
85.06551	1.6
87.04459	3.0
91.05489	7.9
93.07041	9.8
95.04952	2.7
95.08607	16.3
97.02888	16.0
97.06526	2.4
99.04446	9.7
99.08098	5.3
105.07027	31.4
106.08554	1.0
107.04955	1.3
107.08595	11.3
109.02880	1.6
109.06484	1.2
109.10146	6.5
111.04433	6.0
113.28792	1.0
115.03923	11.5
115.05424	0.8
115.37373	0.8
117.05493	4.6
117.07008	4.5
119.08580	39.4
121.06454	1.9
121.10143	8.7
123.08040	2.0
123.11703	2.5
125.05993	2.8
127.03875	3.4
129.05492	24.7
129.06972	2.1
131.04941	6.2
131.08569	14.2
133.06461	2.0
133.10126	16.8
135.11696	12.7
137.05998	1.5
139.03880	2.6
139.07529	0.9
143.08534	3.5
145.04973	2.9
145.10152	6.7
147.06538	8.1
147.08018	4.1
147.11697	17.8
149.05983	19.3
149.13220	3.0
151.07460	1.3
157.04996	0.9
157.10127	3.2
159.11694	4.0
161.09598	1.9
161.13232	4.4
163.06073	1.8
163.07503	2.0
163.14822	3.0
165.09142	1.8
171.06535	2.2
171.11700	3.3
173.13254	16.0
175.11189	3.2
175.14801	4.4
177.16344	1.8
183.11705	1.9
185.13258	3.5
187.14854	6.5
189.16383	99.0
191.14328	1.5
191.17950	13.7
199.11217	1.0
199.14865	2.4
201.12724	5.4
203.14349	2.6
207.17438	51.7
208.17764	1.4
211.14847	1.8
213.16243	1.7
214.68178	1.2
217.11610	0.9
217.15938	2.0
218.68105	0.9
219.13820	34.2
221.15208	1.3
225.07632	5.4
237.14835	2.3
243.08633	4.5
261.09647	1.9
261.88745	0.9
261.91882	1.0
265.14499	1.4
279.10751	3.2
301.21472	1.2
321.20486	1.6
335.22238	3.0
339.21735	2.9
351.17868	1.4
353.23035	1.2
405.31647	5.6
407.32919	2.8
423.32590	38.5
424.32977	1.7
425.34143	2.7
441.27832	2.1
441.33682	41.4
442.34030	2.1
443.35339	1.7
451.31842	1.8
469.32962	2.0
471.31308	2.1
481.59689	1.1
487.33823	2.4
573.38232	4.5
619.37689	1.2
703.43622	1.5
716.74585	1.2
719.43628	11.2
728.67511	1.1
761.35248	1.2
765.43671	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	765.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05497	10.3
57.03421	10.8
61.02925	5.8
66.31262	3.3
67.05509	21.4
67.13544	3.2
69.03422	27.9
69.07059	16.6
70.10558	17.0
71.04982	8.1
73.02907	26.0
79.05476	16.9
81.07056	44.7
83.08620	7.9
85.02910	71.2
87.04443	5.0
91.05484	19.9
93.07056	37.3
95.08616	69.6
97.02889	39.9
97.10149	5.9
105.07034	51.8
107.07944	5.5
107.08598	53.9
109.06510	5.1
109.10159	48.5
111.08073	16.0
115.03933	8.6
117.06994	4.8
118.98988	3.3
119.08584	75.9
120.08936	3.2
121.10163	35.5
123.08036	3.7
123.11703	14.9
127.03908	14.2
129.05518	8.1
129.07027	3.9
131.08603	21.3
131.49222	3.4
133.04950	14.3
133.10117	29.6
134.73460	3.4
135.11687	23.0
143.08588	9.7
145.04964	15.0
145.10129	52.8
147.11690	38.9
149.13261	44.4
153.09085	4.8
157.10162	18.9
159.11676	37.1
161.13251	23.7
163.06009	4.0
163.07504	6.1
163.14774	8.5
169.10141	7.8
171.11748	18.0
173.13266	34.2
175.14809	40.4
177.16418	24.6
183.11723	4.5
185.13257	11.8
187.11125	3.7
187.14830	39.2
189.16377	47.2
191.17967	7.9
197.13150	3.8
199.14828	21.7
201.16376	79.0
203.17970	23.9
205.15907	19.5
207.17442	36.2
211.14798	4.0
213.16374	18.7
215.17882	15.3
219.17424	8.5
221.15536	6.7
225.16473	5.0
227.17926	6.6
227.99371	4.0
229.19472	6.1
231.13766	4.6
233.15346	5.6
233.19026	8.6
239.18015	3.7
241.19469	10.1
245.15344	8.0
247.16888	21.9
259.16959	11.5
267.21039	6.8
279.20953	4.4
287.19995	8.7
353.24466	4.4
389.31998	13.9
395.29346	18.7
407.33133	61.0
409.34631	8.8
423.32532	23.3
435.32629	100.0
436.32739	6.0
453.33682	79.6
719.43182	7.6
765.35455	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	765.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.4
55.05498	4.8
55.64125	3.9
57.03418	8.8
61.02922	5.3
62.07154	4.4
67.05512	20.2
69.03436	25.0
69.07062	14.3
70.76105	10.9
73.02906	16.4
79.05489	15.5
81.07056	31.7
85.02911	43.6
91.05492	15.7
91.53345	4.5
93.07053	29.3
95.08599	53.2
97.02897	30.7
97.10169	5.1
105.07027	29.9
105.07643	4.8
107.08604	40.0
109.02856	7.3
109.10145	32.5
111.08071	17.5
115.03905	10.9
119.08583	54.3
121.10165	33.0
122.53160	4.4
123.11691	8.3
127.03932	8.4
131.08543	25.0
133.04948	10.0
133.10135	33.3
135.11656	16.8
143.08556	6.6
145.04970	11.4
145.10146	32.4
147.11690	35.3
149.13280	28.1
157.10103	7.8
159.11696	37.3
161.13287	31.0
163.06119	7.4
163.14859	13.1
171.11633	9.9
173.13277	25.8
175.14818	35.1
177.16380	17.0
185.13272	13.7
187.14799	19.3
189.16371	35.9
199.14815	18.7
201.16382	64.4
203.17920	15.8
205.15900	15.3
207.17459	29.4
211.14757	4.7
213.16479	21.5
215.17889	13.3
219.17407	6.1
223.12067	4.0
225.16438	7.1
227.17921	9.7
233.15495	4.0
233.19051	10.5
233.60277	4.8
239.17992	6.6
241.19537	8.0
245.15347	7.6
247.16983	16.7
248.99948	4.2
258.65750	5.6
259.16888	5.3
267.20932	7.1
293.22421	6.3
331.63394	4.2
347.27454	4.5
349.28934	4.7
389.31915	13.2
395.29465	12.4
407.33191	53.8
409.35007	6.7
423.32513	20.2
435.32596	100.0
436.32895	9.9
453.27872	6.2
453.33701	83.4
596.23822	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	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
57.03442	2.7
61.02929	5.2
66.82653	0.5
67.05515	4.9
69.03428	3.2
69.07068	2.0
73.02925	4.2
73.80805	0.5
79.05502	3.5
81.03428	3.3
81.07063	5.6
83.08624	1.3
89.68563	0.5
91.03940	2.9
91.05488	2.6
93.07055	4.3
95.04989	1.5
95.08615	3.3
97.02894	4.5
99.04485	1.4
99.49049	0.6
101.02395	2.2
103.03976	0.7
105.07047	1.4
107.04964	0.6
107.08611	2.0
109.02895	1.2
109.10193	1.6
118.31744	0.5
119.08604	2.1
121.10149	2.8
127.03961	1.6
131.08621	1.7
133.10168	1.2
135.11673	0.6
145.05019	0.5
147.11743	1.0
149.09662	1.2
183.06619	0.7
184.07291	1.0
185.04260	1.0
193.12335	0.7
207.51201	0.5
225.10977	0.8
243.08519	2.3
251.12822	0.6
269.13632	1.9
296.19092	0.6
401.32523	0.5
443.18964	3.5
469.20694	1.4
487.21634	4.5
519.29480	7.4
520.29224	0.8
721.41174	1.4
747.42834	2.1
765.43964	100.0
766.44440	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	765.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58686	2.8
55.01867	3.3
55.05503	10.4
57.03432	16.3
57.07072	3.3
61.02929	7.8
67.05495	14.1
69.03125	2.7
69.03439	32.4
69.07076	14.5
70.81976	3.8
70.82294	5.4
71.04980	11.9
73.02913	18.8
75.28184	2.7
78.35863	2.7
79.05488	14.1
81.03426	7.5
81.07061	42.8
83.04987	3.7
83.08614	7.4
85.02902	70.4
85.06581	2.7
87.04469	4.0
91.05460	12.9
93.07043	33.5
95.08609	56.3
97.02901	43.2
99.04459	4.3
105.07024	39.4
107.08597	44.4
109.02896	6.5
109.06510	2.9
109.10155	31.1
111.04415	5.1
111.08082	18.9
113.69551	2.8
115.03896	16.1
117.07019	5.3
119.08586	61.3
121.10149	32.8
123.11716	12.3
127.03920	15.2
129.05487	7.0
129.06956	2.9
131.08571	24.3
133.04964	10.6
133.10123	39.3
135.11685	24.1
137.13205	4.6
143.08537	7.3
145.05003	14.9
145.10110	41.4
147.11691	36.0
149.13272	34.6
153.09143	4.2
157.10139	14.5
159.11707	41.9
160.12041	4.4
161.13292	26.9
163.06010	3.0
163.07527	3.9
163.14839	11.5
165.09084	3.4
165.12759	3.0
168.09433	3.3
169.10124	7.8
169.46651	2.7
171.11676	14.1
173.13240	29.9
175.14845	30.0
177.09074	4.8
177.16368	25.1
183.11723	9.0
185.13257	12.0
187.14801	23.4
189.16389	36.3
191.17928	7.7
193.15877	3.2
197.13300	6.7
199.14856	16.4
201.12752	6.9
201.16367	62.2
202.13062	3.1
203.18018	19.5
205.15843	14.3
207.17441	22.5
211.14903	5.9
213.16365	22.2
215.14478	3.3
215.17928	16.4
217.12106	2.9
219.13834	5.2
219.17470	7.2
221.15327	3.5
225.16368	6.7
227.18092	4.3
229.19585	4.4
231.17409	4.5
233.19060	6.2
239.17957	6.2
241.19569	9.9
245.15393	11.7
247.13232	4.5
247.16931	19.1
251.18016	5.2
253.19563	5.1
259.16959	7.9
261.18430	2.9
267.21118	6.5
273.18463	3.3
279.21198	3.7
285.18295	3.6
287.19983	6.4
299.20163	5.9
324.54968	2.8
349.28983	4.7
365.32410	3.9
389.32062	19.0
395.29468	13.3
405.31302	4.9
407.33051	54.1
409.34476	5.1
423.32651	20.4
424.33139	4.0
425.33664	7.8
435.32587	100.0
436.32828	4.3
436.85110	3.0
453.33673	82.7
454.34323	6.1
469.33023	3.0
659.25208	3.4
765.40509	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	763.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01862	4.0
55.05499	3.4
55.93681	1.1
56.63209	1.3
56.63480	1.1
57.03435	9.6
57.07059	1.4
61.02931	10.9
63.48022	1.3
67.05495	4.2
69.03075	1.6
69.03430	29.2
69.07075	5.8
70.39371	4.4
70.39722	1.2
71.01337	1.6
71.04983	5.7
73.02919	21.8
74.43491	1.2
79.05486	4.0
79.99156	1.2
81.03419	9.4
81.07056	14.0
83.08604	3.7
83.44981	1.4
85.02905	100.0
87.04453	4.4
91.03954	3.6
91.05457	4.5
93.07040	12.2
95.04961	2.7
95.08604	20.6
97.02895	42.7
99.04438	4.5
102.35567	1.1
105.07025	16.2
105.33597	1.4
107.07950	1.6
107.08596	16.4
109.02901	6.9
109.10149	13.0
111.04520	1.4
111.08067	1.7
115.03934	13.3
117.06987	2.3
119.08594	21.9
120.67970	1.2
121.10143	12.9
123.08020	1.4
123.11713	7.0
127.03914	22.0
127.95093	1.2
128.06306	1.5
129.06985	2.8
130.05121	1.2
130.07733	1.6
131.08554	8.1
133.04965	11.6
133.10120	11.7
135.11681	11.8
137.09647	1.4
137.13226	3.8
143.08548	6.7
144.09340	4.3
145.04971	21.7
145.10126	29.6
147.11673	9.6
149.13266	9.3
155.08525	2.4
156.09349	3.2
157.10138	9.4
158.10931	1.2
159.11690	59.5
161.13280	6.4
163.06001	3.6
163.07391	1.6
163.14818	2.9
165.12700	2.7
168.09303	4.4
169.10115	4.9
170.10947	2.0
171.11685	10.3
173.09644	1.5
173.13239	13.6
175.14784	4.5
177.16353	1.9
182.10847	1.8
183.11707	17.6
185.13242	16.5
187.11137	1.9
187.14766	6.5
189.16382	21.3
191.17960	17.2
197.13206	6.1
199.14835	6.5
201.12756	39.6
201.16431	4.6
203.14297	21.8
203.17804	3.2
205.19504	24.4
207.17516	9.5
211.14751	2.9
213.16377	3.0
215.14279	3.0
215.17966	3.3
217.15894	5.2
217.19452	6.2
219.13857	4.6
233.19011	1.6
235.20651	4.1
241.07101	2.0
243.13820	1.6
247.13309	22.5
251.17935	2.9
259.08118	2.6
261.14847	15.5
266.76819	1.3
285.42261	1.3
317.90665	1.3
387.30396	4.5
389.31982	3.8
405.31491	28.8
407.33075	4.4
423.32626	49.7
433.30783	1.4
451.32089	8.6
469.33182	13.6
486.68646	1.5
510.06171	1.4
555.36841	10.9
675.40924	2.5
717.41681	3.5
719.43042	3.9
751.97968	1.3
763.43201	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	764.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.2
56.96570	16.7
67.05500	4.3
69.07076	3.1
71.62144	1.8
72.96442	1.0
79.05487	3.0
79.52253	1.2
81.07049	11.0
83.08627	2.4
84.96035	2.6
90.71079	1.0
91.05463	2.9
92.88358	1.1
93.07052	5.7
95.08604	16.3
97.10130	1.5
98.96937	1.3
98.97581	23.3
105.07031	4.1
107.08598	8.8
109.10159	7.7
110.97565	14.7
113.04414	1.2
115.98863	1.1
116.98622	8.4
119.08607	8.0
121.10137	6.5
123.11707	4.5
127.00732	1.5
128.98605	18.4
129.48627	1.2
131.00182	2.0
131.08543	3.5
133.10136	5.4
134.99605	1.6
135.11655	6.4
137.13257	4.2
140.98613	2.7
143.08603	2.0
145.01805	1.2
145.10126	4.9
146.99657	6.8
147.11668	3.4
149.13235	4.0
150.97746	1.1
152.00249	1.4
152.98598	1.6
154.93248	1.2
158.99640	12.2
159.11658	2.8
161.01309	1.2
161.13232	1.7
168.05971	1.1
170.99683	15.5
171.11650	1.8
172.94243	6.4
173.13283	2.0
173.20972	1.0
175.14857	1.3
177.00685	6.5
184.07327	2.3
185.13283	4.6
187.14848	2.8
188.79434	1.1
188.81856	1.2
189.00729	15.4
189.16298	1.6
190.95303	4.3
191.17976	2.4
199.14854	3.2
201.16367	3.3
203.14308	2.6
203.17975	1.3
205.19534	1.1
207.01752	2.9
213.16435	2.8
214.95258	2.2
217.19537	1.2
259.16916	1.9
268.96320	3.1
286.97372	8.3
304.98453	6.5
335.30096	1.2
373.94675	1.2
437.33945	1.4
451.28790	4.5
465.29913	1.2
493.29996	15.7
511.31052	13.4
529.32269	8.4
534.32764	1.6
547.33807	8.2
552.32898	1.5
553.31506	1.5
565.33899	5.1
637.95343	1.3
679.37823	1.4
723.30353	11.5
741.31866	100.0
742.31964	3.9
759.32245	3.7
764.33044	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01871	1.9
55.05512	2.9
57.03431	3.0
57.08693	0.9
60.91576	1.0
61.02940	7.2
65.24483	1.2
67.05504	8.2
69.03432	4.0
69.07069	2.5
69.24952	9.5
71.05030	1.1
73.02913	5.0
79.05507	5.5
81.03407	3.2
81.07060	6.7
83.05017	1.2
83.08627	1.6
85.02911	8.8
86.09701	1.4
89.19587	1.0
91.03959	5.8
91.05468	2.6
93.07046	5.9
95.08612	4.8
95.59064	1.1
97.02895	8.2
99.04419	1.4
101.02389	2.8
103.03951	1.2
105.07024	2.5
107.08595	3.6
109.02885	1.3
109.06493	1.0
109.10156	2.9
115.03942	0.9
119.08569	1.9
121.10149	3.5
123.11660	1.2
125.00020	2.1
127.03933	3.8
129.05482	2.7
131.08543	1.3
132.38425	0.9
133.10164	1.1
135.11717	1.9
142.16957	1.0
179.32619	0.9
181.04758	1.3
184.07382	5.5
185.04189	9.5
201.03764	3.9
203.05229	0.9
243.08382	5.9
267.16010	1.9
301.08911	18.3
301.12119	1.7
315.10477	6.1
317.08527	1.1
327.10400	1.5
329.11908	2.0
331.25592	1.0
335.25726	1.6
341.12283	1.7
344.81256	1.0
355.13660	1.7
357.15457	2.2
369.15320	2.4
371.16797	3.7
373.11115	9.6
383.16953	1.4
385.18280	9.8
387.12823	1.5
415.15540	1.8
423.19797	1.3
429.17380	3.0
443.18976	1.2
455.19061	1.4
457.20514	2.2
469.20514	4.5
509.23505	2.5
513.26880	1.3
519.29315	21.2
523.25220	1.9
547.16663	1.1
549.26556	1.5
563.28558	1.6
567.31396	1.5
578.30670	12.4
591.31610	7.0
605.32898	1.2
619.34949	2.1
633.35999	2.3
661.39142	4.2
662.40106	6.5
679.40601	1.8
701.41589	1.1
703.39886	1.8
745.41376	5.6
746.41718	2.1
763.41870	100.0
764.42474	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	763.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
60.08174	1.2
67.05505	1.2
69.03402	0.9
69.62390	0.8
69.96405	3.5
77.04592	0.6
79.05502	1.5
79.37748	0.7
81.03437	1.0
81.07060	2.0
85.02901	1.4
86.09723	5.3
91.05493	1.1
93.07069	1.2
105.07009	0.8
121.10183	0.7
125.00006	4.5
184.07333	16.0
185.07741	2.8
220.42940	0.9
267.09024	1.5
485.16907	1.5
707.01843	1.0
717.41809	1.0
745.41058	1.5
763.40448	100.0
764.40344	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01859	0.7
55.05511	1.0
57.03443	2.0
59.80588	0.4
61.02927	5.2
67.05508	2.8
69.03426	2.4
69.07053	1.1
69.94123	1.8
71.01395	0.4
71.04983	0.6
73.02917	3.9
79.05489	4.4
81.03417	3.7
81.07059	3.6
83.04986	0.7
83.08605	0.9
85.02905	6.0
90.10033	0.4
91.03959	2.9
91.05475	4.6
93.07056	3.6
95.04958	0.9
95.08591	2.5
97.02885	4.6
97.06511	0.4
98.16507	0.4
99.04458	0.7
100.23541	0.4
101.02396	1.6
105.07032	3.3
107.04979	0.5
107.08606	2.4
109.02880	1.1
111.08062	0.8
117.07024	0.6
119.08570	2.7
121.10168	1.3
127.03940	1.4
129.07011	0.9
131.08598	0.9
133.10133	1.9
135.11714	0.8
143.08574	0.3
145.10149	0.4
145.46567	0.4
147.08104	0.5
147.11708	1.4
149.09596	0.6
157.10136	0.6
175.11205	0.8
184.07419	0.8
185.04218	1.1
193.12265	1.0
211.13335	0.9
229.79631	0.4
232.37589	0.4
243.08420	2.7
251.12584	1.1
269.08743	0.4
285.16986	0.5
301.09128	1.3
315.10654	0.6
317.21210	0.5
349.16107	0.4
369.60883	0.4
383.17166	0.4
469.20462	11.1
470.20749	0.6
535.28870	4.0
541.22833	1.1
693.33911	0.5
763.42334	100.0
764.42603	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	763.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05508	0.8
61.02909	1.0
66.23370	0.7
66.46017	0.7
67.05505	2.3
69.07069	0.8
73.02903	0.8
73.54456	0.6
74.57569	0.6
79.05482	1.1
81.03407	1.8
81.07051	2.1
85.02908	1.4
86.09706	2.5
91.03983	1.2
91.05509	1.2
93.07065	1.8
95.08597	1.2
97.02876	1.7
105.07043	1.6
121.10151	1.4
125.00023	1.7
184.07335	8.3
185.07658	0.9
195.46602	0.7
267.09128	1.1
285.10019	0.7
313.93417	0.7
467.18549	1.2
519.29352	1.4
535.27051	1.0
543.76227	0.7
556.28497	0.7
558.70386	0.7
737.35516	0.7
745.40985	1.4
763.40491	100.0
764.40924	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	761.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01887	1.0
55.05500	1.4
56.87967	0.5
57.03432	1.8
61.02925	5.3
67.05507	3.9
69.03425	3.3
69.07065	1.3
70.34573	1.9
71.04989	0.8
73.02914	3.8
75.62473	0.5
78.73540	0.5
79.05497	4.0
81.03411	2.4
81.07059	4.3
83.04992	1.1
83.08634	1.8
84.30006	0.5
85.02903	5.4
91.03944	2.7
91.05476	2.5
93.07027	5.1
95.04960	0.5
95.08627	1.8
97.02896	4.4
97.06558	0.7
98.21435	0.6
99.04427	1.2
101.02385	2.3
103.03954	0.8
105.07060	3.2
107.08611	2.2
109.02899	0.6
109.06522	0.9
109.10190	0.7
117.07027	1.1
119.08599	2.2
121.10146	1.0
123.08074	0.6
127.03925	1.6
129.05542	0.5
131.08597	1.2
133.10133	2.1
135.11705	1.6
145.10168	1.9
145.14534	0.5
146.59474	0.5
147.11703	1.4
159.11700	0.6
163.11176	2.7
184.07413	0.7
185.04242	1.2
221.64476	0.5
233.69722	0.6
243.08356	3.2
249.11086	0.7
260.17508	0.5
283.15649	0.6
301.09061	1.0
315.10425	0.6
317.21039	0.6
385.18298	0.5
465.02216	0.5
465.21347	0.8
467.18890	11.4
468.19739	0.9
469.20459	0.9
535.28711	5.3
663.34290	0.7
761.40765	100.0
762.41071	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	761.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.4
69.07067	2.3
71.04979	1.5
71.62183	2.5
79.05496	1.6
81.03437	1.2
81.07053	3.7
91.05499	1.4
93.07084	2.5
95.08611	3.5
100.37863	1.3
107.08582	1.4
120.13128	1.4
126.88455	1.5
177.14711	1.3
181.81189	1.2
184.07394	4.0
185.07550	1.5
246.99232	1.4
338.27869	1.8
483.16492	1.8
635.59326	1.3
755.37115	1.7
761.38812	100.0
762.39313	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	761.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81882	0.7
64.95390	0.8
67.05512	1.5
69.90160	1.4
69.90561	2.4
80.68839	0.8
81.07055	1.0
86.09727	1.3
98.21461	1.5
126.46256	0.8
184.07420	3.7
313.76218	1.0
483.16037	1.3
578.40735	1.0
761.38684	100.0
762.39502	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	761.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05504	1.3
55.89405	0.6
56.89796	0.7
57.03439	2.1
59.05007	0.8
61.02921	4.7
67.05506	2.5
69.03429	2.6
69.07069	2.5
71.01377	0.8
71.05003	3.0
71.62280	0.9
73.02918	3.4
79.05482	4.2
81.03413	6.7
81.07060	6.0
83.04977	1.1
83.08650	1.5
85.02895	6.5
85.06541	0.9
87.04478	1.4
91.03959	2.1
91.05464	4.4
93.07030	4.2
95.04981	1.6
95.08581	3.3
97.02889	4.7
97.06541	1.4
97.17577	0.6
99.04443	0.8
101.02405	1.5
103.03959	0.8
105.07018	4.5
107.05019	1.1
107.08588	3.6
109.10159	1.4
119.08552	3.6
121.06532	0.9
121.10126	4.2
123.11703	1.0
127.03946	1.7
129.07062	1.5
131.05028	0.9
131.08607	2.7
133.06503	0.9
133.10136	2.6
135.11658	0.9
137.06012	0.9
137.09613	1.2
145.10107	1.3
147.04396	0.8
147.08047	0.7
147.11732	2.6
149.09634	4.0
150.06802	0.9
157.10176	1.3
159.11749	0.7
165.09161	0.9
167.07091	1.5
167.25641	0.7
175.11182	1.9
181.05109	0.9
181.12363	0.7
185.13167	0.8
189.12784	0.8
193.12201	3.3
225.14896	1.2
243.08386	3.6
249.14835	1.0
253.14261	1.0
267.16104	1.3
283.15213	7.1
289.85461	0.7
325.72824	0.7
339.18088	2.0
449.32480	1.9
454.64398	0.7
467.33701	2.2
469.20963	1.0
501.23053	27.9
599.34100	1.3
630.19989	0.8
761.39301	100.0
762.39911	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	760.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
54.51790	0.7
55.01874	1.9
55.05516	8.4
55.10241	0.6
57.03440	7.9
57.07063	1.2
61.02926	6.2
65.03948	2.1
67.05504	25.6
68.05837	1.4
69.03421	3.6
69.07062	5.9
69.64819	0.7
71.05009	0.9
71.62196	0.8
73.02912	3.3
79.05492	22.5
81.03416	28.7
81.07057	25.6
82.07415	1.1
83.04995	2.4
83.08622	7.3
85.02905	4.5
85.06554	1.0
86.09718	3.0
91.03960	2.5
91.05477	15.8
91.05989	1.1
92.05835	1.0
93.07047	20.5
94.07406	1.1
95.04969	9.8
95.08614	18.4
97.02917	5.1
97.06541	2.9
97.10193	2.5
99.08077	1.2
101.02379	1.8
102.29368	0.9
103.03980	0.7
105.07033	13.8
107.04990	2.6
107.08589	10.0
109.06536	2.5
109.10181	6.6
111.04442	0.9
111.08106	2.6
115.05467	1.1
117.07043	3.4
119.08592	9.0
120.08933	0.9
121.06496	1.0
121.10129	9.2
123.08091	1.5
123.11733	2.0
125.00009	1.7
125.09602	1.1
127.03943	1.3
129.06995	5.2
131.08571	7.8
133.06502	1.5
133.10129	6.7
134.10442	0.9
135.11673	6.0
143.08592	1.2
145.10132	5.9
147.08049	1.6
147.11688	6.2
148.12077	1.4
149.09634	1.7
149.13309	2.6
157.10110	4.8
159.11703	2.8
161.13202	1.3
163.11224	1.5
163.14868	1.9
171.11742	1.4
172.12155	0.8
173.13326	2.2
175.11230	2.8
175.14912	1.6
183.11777	1.1
184.07356	9.3
185.13219	1.3
189.11322	1.1
193.12234	6.6
197.13211	0.7
227.12846	1.8
243.08476	2.1
243.21100	2.1
244.08961	0.9
247.13158	1.1
249.14992	1.1
261.19073	0.8
261.19519	0.8
261.22110	5.0
261.65921	0.9
267.15915	29.3
285.22235	1.0
301.25415	1.3
303.15878	1.0
317.24561	0.9
335.25800	22.8
435.32843	1.8
453.33994	1.9
465.20984	5.4
466.21310	6.4
527.37329	13.9
528.37854	1.2
535.28802	2.2
536.29242	3.7
545.38348	13.8
562.49097	0.9
563.40002	1.0
760.43213	100.0
761.43646	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	759.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01885	2.2
55.05514	8.4
57.03437	10.8
57.07076	2.6
61.02917	1.9
65.28931	1.4
67.05496	11.1
69.03416	10.0
69.07062	11.4
69.54839	10.5
71.04992	61.8
73.02903	6.1
75.04477	5.8
79.05485	11.1
81.03419	3.8
81.07059	18.3
83.04983	12.6
83.08614	5.9
85.02906	100.0
87.04504	2.3
91.05470	13.8
93.07043	20.1
95.04967	3.6
95.08598	30.9
97.02882	8.1
97.10162	2.1
98.20763	2.9
99.04462	4.3
99.84201	1.7
105.07021	25.7
107.08594	38.5
109.02850	1.9
109.10155	15.3
111.04453	6.5
117.05471	2.0
117.07029	4.4
119.08577	45.0
121.10137	23.3
123.11701	7.2
127.03921	7.1
129.05490	24.7
129.07007	4.1
131.08566	18.8
133.10127	19.3
135.11671	24.5
137.05960	2.3
142.07785	4.7
143.08589	14.8
144.09378	2.2
145.04930	2.1
145.10123	27.4
147.06496	11.4
147.11690	19.0
149.13280	8.3
151.07539	2.6
155.08554	7.2
156.09322	3.4
157.10100	18.2
159.11670	20.0
161.13205	13.2
163.03819	2.2
163.06097	2.4
163.07562	7.1
163.14830	4.2
168.09332	2.8
169.10121	13.8
170.10861	2.5
171.11678	15.5
173.13246	16.0
175.14827	15.0
177.09135	2.6
177.16373	10.0
179.08490	2.1
181.10184	5.1
182.10950	3.0
183.11699	18.5
184.07236	1.8
184.12529	2.3
185.13211	16.2
187.07555	3.3
187.14803	15.8
189.16330	13.4
191.17914	2.4
193.10106	1.9
195.11722	5.1
196.12445	2.3
197.13239	14.1
199.11301	1.7
199.14819	14.8
201.16359	13.1
203.17964	4.9
207.11621	3.3
208.12323	1.7
209.13271	9.4
211.14832	19.4
213.16374	11.8
215.10506	2.2
215.17996	4.0
217.12247	2.2
217.19582	2.0
219.13693	2.3
221.13266	4.0
223.14824	5.4
225.16451	9.0
227.17920	5.0
229.12285	3.4
229.15942	2.9
235.14804	2.9
237.16399	7.2
239.17946	4.4
241.19543	3.7
243.13823	2.6
245.15367	7.2
247.14812	2.0
247.17090	3.1
249.16373	3.0
251.18018	10.4
253.19525	22.7
257.15359	26.5
259.16876	2.4
263.17841	2.0
265.19583	4.6
267.21066	2.6
269.15555	2.1
271.16821	4.8
279.21030	3.1
281.22601	2.7
283.16925	4.3
283.24301	2.0
285.18616	3.9
291.21188	2.5
295.16986	2.1
297.18512	12.9
299.20032	16.1
311.19992	6.0
311.23642	1.8
317.22452	2.0
321.18344	2.1
331.24048	3.4
337.21518	3.3
345.25848	2.2
351.23172	4.9
363.22968	2.5
365.24759	2.3
369.01624	1.7
373.28864	1.9
377.24738	4.9
387.30377	11.7
389.31973	8.5
390.25519	2.5
391.26428	2.3
395.25827	2.5
405.31522	14.7
418.28552	4.1
433.31024	93.7
434.31363	3.8
451.32077	97.1
452.32709	4.3
567.36627	1.7
581.49139	2.0
613.37445	2.3
751.47083	2.0
759.43793	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01874	0.8
55.05510	2.4
57.03437	2.3
61.02927	4.1
63.58209	0.6
65.03939	0.6
65.93279	0.5
67.05518	6.9
69.03430	2.2
69.07075	1.7
69.52993	0.5
69.53291	4.2
71.04985	1.3
73.02927	3.1
79.05500	9.2
81.03424	4.4
81.07066	7.1
82.54719	0.6
83.04990	0.7
83.08627	1.5
85.02911	4.6
86.30145	0.5
91.03963	2.9
91.05486	6.4
93.07056	8.1
93.81715	0.5
94.07356	0.7
95.04977	2.1
95.07313	0.6
95.08618	4.5
97.02892	3.3
97.06538	0.9
99.04462	0.8
101.02400	1.9
105.07043	4.5
107.04978	1.0
107.08610	4.5
109.02808	0.7
109.10165	2.0
111.08109	0.8
117.07055	1.5
119.08582	4.1
121.10171	2.4
123.08128	0.6
127.03867	1.4
129.06966	1.3
129.47377	0.5
131.08614	1.4
133.10159	2.4
135.11722	1.5
145.10146	1.1
146.39110	0.7
147.11719	3.1
149.13303	0.7
159.11746	1.1
161.13284	1.1
163.11209	1.0
171.11688	1.5
173.13321	0.7
184.07410	0.9
243.08368	3.0
247.13173	1.3
259.20581	0.7
267.16061	1.8
283.15506	0.8
284.15521	0.6
301.08920	1.2
303.15656	0.7
335.25684	3.6
336.26233	0.9
379.19559	0.8
421.90558	0.6
465.20969	10.6
495.22211	1.0
527.37457	1.2
535.28796	6.7
537.23138	1.1
544.37372	0.8
545.38568	1.5
547.13885	0.6
562.38104	0.7
579.28717	0.7
752.78040	0.6
759.42944	100.0
760.43164	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	759.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01882	1.2
55.05508	4.9
57.03434	7.6
57.07067	2.1
61.02917	1.5
63.66742	0.8
67.05513	4.9
69.03429	4.8
69.07067	4.8
70.21991	1.5
70.22388	1.4
71.01349	1.3
71.04990	39.0
73.02904	3.6
75.04469	2.3
78.62225	0.7
79.05501	3.5
81.03409	2.0
81.07062	8.6
83.04973	4.4
83.08606	1.5
85.02903	57.1
85.73234	0.7
87.04499	1.9
91.05476	5.3
93.07038	8.4
95.08607	10.7
97.02876	3.8
99.04468	2.6
105.07034	7.9
107.08588	10.5
109.02888	1.2
109.10158	9.4
111.04449	3.9
112.85647	0.8
117.07060	1.7
119.08576	10.2
121.10136	8.5
123.11726	3.4
127.03937	3.3
128.06267	2.4
129.05478	12.3
129.07024	2.4
131.08568	8.7
133.10112	7.2
135.11700	7.8
137.13257	1.3
141.06979	0.9
142.07800	2.6
143.08569	11.7
144.09431	1.2
145.04984	1.0
145.10129	7.9
147.06529	2.4
147.11688	4.2
149.13220	6.8
151.07617	0.8
153.07034	1.0
155.08522	4.6
156.09312	1.0
157.10150	9.4
159.11662	5.0
161.13277	3.5
163.14879	1.6
167.07007	0.7
167.08568	0.9
168.09375	7.2
169.10129	5.7
170.10973	0.9
171.11679	3.8
173.13307	2.3
175.14908	2.6
181.10184	2.3
182.10941	2.7
183.10052	1.4
183.11678	24.3
184.12450	2.5
185.13240	21.4
185.14780	1.4
187.14784	6.7
189.16393	4.9
191.18015	2.1
195.11781	2.8
197.13266	12.3
199.14822	7.7
201.12785	2.1
201.16434	1.8
203.14571	0.8
203.18013	3.3
205.19485	2.1
207.17448	1.7
209.13293	2.1
211.14890	2.8
213.16412	2.8
217.15755	0.8
221.13318	0.8
225.16301	1.9
227.17856	0.9
229.12198	8.6
231.13734	5.4
232.89275	1.0
235.15042	1.2
237.16405	1.4
239.18004	0.9
243.13831	4.1
245.15506	1.2
251.18042	2.9
253.19624	2.6
257.15445	2.3
265.19669	1.1
266.14975	0.8
267.21048	0.8
271.16858	0.9
297.18610	1.8
299.20151	1.8
356.91916	0.8
364.04196	0.9
387.30423	1.6
389.32031	1.1
405.31586	2.5
407.33063	2.4
415.71805	0.8
433.31046	11.1
434.31525	1.0
451.32092	12.6
479.16040	0.9
507.31015	1.0
759.43182	100.0
760.44116	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	759.3924
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03942	1.3
54.64605	0.6
55.01876	0.9
55.05505	1.4
56.84549	0.6
57.03440	1.7
57.95275	0.5
58.07415	0.5
61.02931	4.1
67.05497	4.1
69.03425	2.8
69.07072	3.4
71.05007	1.7
71.62347	0.7
73.02897	2.8
79.05495	3.4
81.03422	2.8
81.07053	4.4
83.05012	1.0
83.08629	0.8
83.43983	0.6
85.02912	5.7
91.03978	3.3
91.05447	3.3
91.23648	0.6
93.07047	3.6
95.01305	0.7
95.04996	1.3
95.08630	2.7
97.02906	4.3
97.06532	0.9
99.04450	0.7
101.02383	1.8
105.07024	3.6
107.04977	1.8
107.08607	2.0
109.02896	1.1
109.06557	1.1
109.10205	1.3
111.08085	0.6
117.07050	1.4
119.08567	3.1
121.10201	1.0
123.08063	1.0
127.03955	1.2
131.08627	1.8
133.10172	2.1
135.11742	1.5
142.14014	0.7
145.05078	0.7
145.06441	0.6
145.10170	2.2
147.11703	1.3
149.09624	1.1
159.11731	1.4
163.11240	1.9
177.12779	0.7
179.14442	0.8
184.07326	0.7
215.85930	0.8
219.30403	0.6
243.08464	2.1
315.19272	3.7
371.21988	1.4
467.18884	7.2
467.31448	2.7
533.27112	8.5
546.92377	0.7
595.53210	0.6
759.39270	100.0
760.39453	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	759.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
57.03426	2.0
60.08163	2.0
61.02928	7.0
65.03922	0.6
67.05504	7.2
69.03439	4.4
69.07055	1.5
71.07367	0.9
73.02919	5.8
79.05489	4.9
81.03419	2.2
81.07060	6.3
83.08635	0.9
85.02901	6.5
86.09705	9.5
91.03967	3.4
91.05478	2.8
93.07042	6.2
95.04964	2.3
95.08620	3.8
97.02897	5.7
97.06513	1.1
98.98502	1.4
99.04472	1.0
101.02390	2.2
103.35661	0.6
105.07041	1.8
107.08619	2.1
109.02927	1.2
109.10167	2.7
116.33026	0.6
119.08625	1.3
121.10143	2.7
125.00014	7.2
125.09609	0.8
127.03915	1.9
131.08574	1.5
145.10210	1.0
149.13249	0.8
159.11780	1.0
184.07347	30.5
185.04253	1.0
185.07666	3.7
223.13387	0.8
224.84369	0.6
243.08453	2.1
262.85028	0.6
313.27322	0.8
384.45566	0.7
413.17822	1.6
481.20599	4.3
519.29266	7.6
669.41888	8.6
691.39740	1.2
736.13599	0.8
759.42896	100.0
760.43097	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	759.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01844	1.8
55.05516	10.8
56.05048	1.6
56.96567	9.5
57.03442	20.0
61.02690	1.3
61.02937	16.5
65.03942	1.9
67.05508	19.2
69.03432	9.5
69.07065	5.2
69.68188	8.9
70.45193	1.6
71.01334	1.7
71.04996	77.1
72.05331	2.0
73.02918	8.3
75.04479	3.1
77.17694	1.9
79.05489	14.6
80.05842	2.4
81.03429	12.2
81.07063	17.5
82.07410	1.6
82.75756	1.8
83.04975	4.9
83.08625	4.3
85.02909	100.0
86.03243	2.0
86.09698	4.9
87.04469	4.6
90.13910	1.4
91.03972	7.5
91.05480	16.6
92.05770	1.9
93.07050	16.9
94.07373	2.0
95.04970	5.6
95.08620	11.8
97.02896	14.0
98.97586	5.8
99.04468	4.7
101.02373	3.3
105.04642	1.7
105.07034	16.0
106.07393	1.5
107.04964	2.3
107.08624	9.6
109.02899	2.2
109.10187	4.4
111.04423	2.8
111.08020	1.6
112.99126	1.9
116.98622	3.7
117.07032	5.4
119.08591	14.1
121.10155	7.5
123.11700	2.1
125.00018	3.7
127.03881	7.1
129.05479	16.9
129.06996	3.2
131.00204	2.3
131.08569	5.7
133.10147	10.3
134.10556	1.8
135.08154	1.9
135.11726	5.3
142.07805	1.8
143.00125	1.7
143.08560	2.5
145.04994	2.9
145.10117	4.7
147.06581	2.4
147.11684	8.3
148.12024	2.9
149.13246	2.9
153.01917	2.2
157.10135	3.9
158.99675	3.0
159.11685	3.4
160.11966	1.8
161.13290	4.3
167.57896	1.4
170.99707	4.2
171.03362	1.7
171.11731	2.1
173.13266	3.4
174.13663	1.5
175.11272	2.7
177.00734	1.9
179.60043	1.5
184.07349	16.3
189.00829	1.7
193.12227	6.4
211.13290	6.7
212.13771	2.1
218.07515	1.5
223.06343	1.5
241.19542	3.5
242.19926	1.9
245.05315	1.4
249.07887	2.5
259.20624	8.0
260.20871	5.2
267.09149	2.1
269.10654	1.6
285.16992	5.8
286.17221	3.0
313.08331	2.1
317.17905	4.6
321.04886	2.0
333.24216	6.6
334.24521	4.7
335.25784	5.5
336.26123	1.9
371.11880	2.2
377.01700	4.2
385.10779	7.3
399.11124	3.3
401.01947	2.8
406.85437	1.7
457.12518	4.9
466.13098	26.2
466.63052	4.8
522.11066	1.5
524.21521	4.2
524.71344	1.8
526.36176	3.3
533.11035	5.0
534.11145	1.9
543.36694	4.3
544.37219	9.5
551.12225	21.3
552.12585	3.3
569.13354	5.0
596.23523	5.6
596.73694	1.9
605.24249	9.5
605.74170	5.2
759.39056	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01875	14.5
55.05259	1.9
55.05511	28.5
57.03440	23.3
57.07071	3.2
60.08157	2.8
61.02918	6.6
65.03931	2.6
67.05505	64.0
69.03426	5.7
69.07072	20.0
71.04990	5.2
71.08640	1.6
71.31318	2.7
73.02907	6.1
76.85120	1.4
79.05494	51.4
80.06293	1.6
81.03426	14.3
81.07056	58.0
82.04195	4.2
83.04980	14.2
83.08617	18.1
85.02902	6.8
85.06535	3.7
86.09705	10.1
87.04482	2.4
91.03935	2.2
91.05481	36.6
93.07040	45.9
94.04193	1.6
95.04964	15.6
95.08605	38.6
97.02905	6.0
97.06528	8.5
97.10166	14.8
98.07290	7.0
98.98514	1.9
99.08082	2.7
101.05986	1.8
105.07036	22.5
107.04955	3.6
107.08588	27.2
109.06532	4.4
109.10169	19.2
111.08089	6.6
115.05488	1.5
116.04733	10.9
117.07040	10.8
119.08591	18.6
121.06528	3.6
121.10150	19.3
123.08081	4.9
123.11695	4.4
125.00014	8.3
125.09631	14.4
129.05482	32.7
129.07040	4.5
131.08577	13.9
133.06494	1.8
133.10118	17.7
135.08086	2.8
135.11705	15.3
137.09573	2.3
139.11194	2.1
143.07050	6.8
143.08525	1.6
145.10139	10.4
147.11650	10.1
148.14682	1.4
149.09654	4.0
149.13223	4.6
157.08609	16.0
157.10107	4.4
159.11674	5.7
161.13234	6.2
163.11169	3.2
163.14830	3.1
171.10168	7.5
171.11557	2.8
173.13300	4.0
175.11188	4.5
175.14771	2.7
184.07338	36.8
185.11790	2.2
187.14821	3.7
189.11221	6.8
193.12196	7.8
199.13333	2.5
200.14111	2.3
201.16451	1.8
209.11754	1.8
211.13315	6.1
227.12846	12.1
229.14348	2.2
243.21127	4.1
258.36621	1.5
261.22098	10.0
267.15900	3.4
277.21808	3.8
283.15384	5.0
301.16464	100.0
302.16855	1.6
315.23074	1.5
317.24646	2.6
335.25790	67.3
527.37122	5.0
543.36365	4.4
545.38318	1.9
561.29651	2.5
561.37842	42.5
562.38293	2.6
642.69556	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.3
55.01860	5.2
55.03302	4.8
55.05506	32.8
57.03418	14.2
57.07050	6.4
59.84437	4.6
60.08179	4.9
61.02916	8.8
65.03915	5.0
67.05171	5.2
67.05503	78.6
69.03418	11.3
69.07058	27.3
69.62572	26.6
71.05000	29.8
78.09983	5.1
79.05485	67.8
81.03416	77.7
81.07058	71.1
83.04959	19.2
83.08626	29.8
85.02892	49.1
85.06522	7.4
86.09721	28.4
91.05479	100.0
93.07035	81.4
95.04965	33.5
95.08628	33.1
97.02858	7.6
97.06512	9.1
97.10155	5.3
98.21407	9.5
99.08067	5.8
105.07021	96.2
107.04947	11.0
107.08582	37.5
109.06523	7.0
109.10144	19.2
111.08055	15.2
117.06998	17.9
119.08582	76.9
121.10123	33.7
123.08085	6.9
123.11694	8.0
124.99971	22.3
125.09684	8.3
128.06165	4.7
129.07005	25.2
131.08591	53.3
133.10118	61.3
135.11665	16.4
135.55618	5.2
143.08568	14.1
145.10120	30.0
147.11676	61.1
149.09581	8.2
149.13271	8.8
157.10129	24.0
159.11676	18.4
161.13281	26.2
165.12753	7.2
166.04243	4.4
169.10161	4.9
171.11629	15.0
172.12167	6.1
173.13240	11.2
175.11182	10.6
175.14819	13.2
184.07346	93.1
185.13284	11.0
193.12262	54.6
199.14815	5.6
208.95634	4.8
211.13254	54.1
229.14342	5.9
231.95383	5.3
238.81056	5.2
241.19556	32.5
259.20575	68.3
267.15866	22.9
285.16971	77.4
315.23126	10.9
333.24258	74.8
349.65540	4.9
379.30359	5.1
433.31250	8.1
451.31812	10.3
469.32990	5.0
475.88330	6.8
479.48111	4.7
525.35510	22.1
525.42828	4.7
533.63110	5.4
543.36713	82.8
673.95941	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	757.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05525	1.1
57.03429	2.2
57.07082	3.2
59.04993	0.9
60.50556	0.5
61.02924	4.3
67.05492	1.3
69.03426	3.5
69.07078	1.1
69.77451	0.8
69.77859	2.1
71.04990	1.3
71.08620	2.0
73.02927	3.2
79.05495	1.5
81.03410	3.3
81.07048	3.0
83.08640	1.4
85.02903	4.4
85.06554	0.9
85.10172	1.1
86.09705	1.6
91.03954	2.5
91.05484	2.9
93.07051	1.5
95.04971	0.9
95.08647	2.6
97.02892	3.5
97.10194	0.8
99.04455	0.9
101.02399	1.6
105.07039	1.6
107.08617	1.1
109.02859	1.2
109.10176	0.9
111.11802	0.6
112.44677	0.5
115.03899	0.9
119.08608	0.9
121.10163	1.7
125.00027	1.3
127.03978	1.8
129.06979	0.8
131.08595	0.9
133.10179	0.8
147.11639	1.3
149.09657	1.1
157.10239	1.0
184.07339	5.1
185.04257	1.5
193.12267	1.2
200.21353	0.6
203.05347	0.8
243.08511	2.4
250.47896	0.5
267.15930	1.0
283.15170	3.7
301.73734	0.6
313.27371	1.0
339.17831	0.8
497.30826	6.8
501.23096	11.6
710.56134	0.6
757.47076	100.0
758.47491	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01875	13.6
55.05252	2.6
55.05513	38.0
57.03439	24.0
57.07067	5.1
59.04991	2.5
60.08159	2.3
61.02929	8.9
65.03941	5.6
67.05508	85.2
68.05836	1.7
69.03426	5.4
69.07068	21.7
69.30697	5.7
69.31116	10.2
71.04993	3.4
71.07370	1.6
73.02917	5.2
76.19399	1.9
79.05495	68.8
81.03419	16.6
81.07059	72.9
82.04216	4.9
83.04987	13.4
83.08611	14.9
84.05760	1.6
85.02904	6.5
85.06538	4.8
86.09710	15.8
91.03928	3.4
91.05057	1.1
91.05479	42.2
93.07047	59.9
95.04978	17.3
95.08610	52.5
95.84947	1.7
97.02880	8.0
97.06525	8.9
97.10173	18.0
98.07305	6.9
98.98466	2.6
99.08096	3.3
105.07034	28.3
107.04955	6.6
107.08597	37.2
109.06526	6.5
109.10164	25.4
111.04398	2.0
111.08084	5.2
116.04729	13.3
117.07013	11.9
119.08597	22.9
121.10143	25.4
123.08067	7.1
123.11741	8.9
125.00031	10.3
125.09648	16.3
127.11220	2.5
129.05490	33.7
129.07021	4.4
131.08577	20.3
133.10146	20.8
135.08078	3.4
135.11697	18.9
137.09602	4.0
137.13242	2.0
143.07065	6.3
143.08516	2.2
145.10132	17.7
147.08075	2.7
147.11696	13.1
149.13268	8.9
151.11250	2.1
153.12730	2.3
157.08612	12.5
157.10133	5.6
159.10539	1.7
159.11678	9.0
161.13274	3.8
163.11183	4.8
163.14804	2.1
171.10197	4.9
171.11710	4.1
173.11801	2.8
173.13272	6.2
175.11212	5.5
175.14842	3.8
184.07352	48.7
185.07629	2.3
185.13286	2.5
187.14912	2.3
189.11212	4.9
193.12292	9.8
199.14885	2.3
209.11780	3.5
211.13258	5.4
223.15062	1.7
227.12834	12.7
229.14346	3.3
235.16888	4.4
243.21065	4.2
255.15761	2.9
259.20636	3.8
261.22141	15.5
267.15921	7.4
277.21622	4.6
283.15439	8.6
285.17181	2.1
301.16464	68.2
317.24857	2.8
335.25809	100.0
336.26205	4.2
351.25369	2.5
502.66815	1.8
527.37225	4.6
543.36908	7.1
544.36920	2.0
561.37885	87.6
562.38019	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	757.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05517	2.0
57.03431	1.0
61.02915	4.0
67.05511	5.1
69.03429	3.0
69.07066	2.9
73.02914	4.2
79.05486	6.7
81.03413	2.3
81.07051	6.0
83.05001	1.0
83.08616	1.1
85.02903	3.7
91.03960	1.8
91.05482	7.0
93.07052	6.4
95.04967	2.3
95.08591	4.6
97.02889	3.8
99.04465	0.8
101.02354	1.4
105.07026	4.5
107.04963	1.8
107.08627	2.4
109.02888	1.2
109.06529	0.8
109.10178	1.7
117.06993	1.6
118.08675	0.7
119.08569	4.2
121.10178	2.3
123.08118	1.0
127.03938	1.6
129.06958	1.9
129.81914	0.7
131.08585	2.0
133.10173	2.4
135.11812	0.8
145.10162	2.6
147.11710	3.0
149.09621	1.0
161.13261	0.9
163.11234	1.3
171.11743	1.4
184.07460	1.1
203.05144	1.0
243.08403	2.9
247.13167	0.9
283.15540	1.0
315.19461	2.9
335.25916	1.5
344.17221	0.8
371.21912	1.2
389.47910	0.8
465.20969	11.5
482.05869	0.8
533.27051	8.1
595.36359	0.9
757.41315	100.0
758.41504	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	756.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
58.06625	0.5
60.08162	6.4
60.42854	0.1
63.67933	0.1
67.05495	0.2
69.07088	0.1
71.07373	3.8
79.05487	0.2
81.07043	0.3
82.35479	0.1
86.09704	31.7
87.10047	0.1
91.05425	0.1
93.07052	0.3
95.08575	0.2
98.98462	3.6
104.10746	2.3
109.10184	0.1
122.42634	0.1
125.00002	21.2
143.01073	0.2
184.07336	100.0
184.54561	0.1
185.07733	0.6
210.59070	0.1
229.33730	0.1
289.13541	0.1
335.26089	0.2
351.11710	0.1
352.60660	0.1
357.13028	0.1
496.33701	0.2
756.55231	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	756.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
56.22440	0.1
56.53775	0.1
57.07078	0.1
58.06626	0.5
60.08164	6.5
60.66447	0.1
67.05503	0.3
69.46818	0.9
70.06577	0.2
71.07375	3.4
79.05472	0.2
81.07058	0.2
86.09705	32.4
87.10042	0.1
95.08579	0.2
98.21445	0.2
98.98466	3.5
99.80030	0.1
104.10743	2.2
108.84532	0.1
109.10110	0.1
113.27586	0.1
125.00005	22.5
165.09126	0.5
184.07338	100.0
185.07687	0.5
369.68646	0.2
430.41312	0.1
478.32629	0.1
487.30225	0.1
496.34039	0.2
580.59546	0.1
637.10071	0.2
650.28937	0.1
756.55054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.1
56.05036	1.0
57.07071	0.1
58.06630	0.5
59.07392	0.2
59.61940	0.1
60.08166	6.3
60.48277	0.1
67.05502	0.2
70.85352	0.3
71.07378	3.6
71.08616	0.1
74.53287	0.1
79.05511	0.2
81.06142	0.1
81.07045	0.2
86.09710	30.0
87.10073	0.2
91.05492	0.2
95.08596	0.2
98.98475	3.3
104.10748	2.1
107.08581	0.1
112.41732	0.1
125.00010	21.0
166.02673	0.1
184.07349	100.0
185.07770	0.7
259.17142	0.2
496.34238	0.2
756.55310	1.9
757.54504	0.2
761.93140	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.5
53.03937	3.0
55.01872	3.2
55.05508	17.8
57.03439	11.9
57.07063	1.9
57.16430	0.9
59.04980	2.4
61.02908	2.4
65.03938	2.6
67.05506	39.1
69.03423	2.6
69.07066	8.9
69.31963	9.1
69.32394	1.8
71.01349	1.4
71.05004	1.5
73.02950	1.2
77.55776	1.1
79.05054	1.6
79.05493	29.2
81.03407	4.9
81.07056	44.1
83.04970	3.2
83.08626	13.4
84.16353	1.2
85.02901	3.8
85.06531	2.4
86.09719	2.4
91.03965	1.3
91.05483	24.6
93.07045	34.2
95.04960	4.7
95.08599	22.5
97.02910	5.8
97.06525	4.1
97.10123	2.2
98.20721	2.6
99.00807	14.1
103.05460	1.5
105.07032	17.5
107.04951	4.6
107.08592	19.0
109.02891	8.7
109.06503	3.3
109.10163	16.4
111.08082	3.3
115.03909	2.5
117.06991	5.9
119.04907	1.2
119.08573	15.2
121.06521	6.1
121.10137	10.1
123.08073	1.4
123.11739	6.0
125.00004	1.4
125.09592	1.3
127.03913	3.0
128.06180	1.2
131.08559	7.4
133.06529	1.3
133.10130	34.2
135.11684	8.8
137.05951	2.2
137.09607	1.4
137.13197	1.6
139.07578	2.3
143.08559	2.9
145.10123	5.4
147.08095	1.2
147.11719	3.6
149.13261	4.2
151.11211	9.9
159.11703	3.4
161.09642	16.8
161.13229	3.8
163.11200	1.1
163.14810	2.6
165.09102	1.2
171.08060	4.0
173.13246	3.6
175.14915	1.3
179.10666	8.4
184.07324	9.3
187.14929	1.3
189.09100	8.3
197.11760	3.8
207.10164	3.7
225.11211	16.3
227.12708	1.3
243.12238	3.8
243.21056	4.9
261.22144	17.3
281.13809	2.3
285.17020	1.1
299.14896	100.0
300.15366	2.4
315.23187	1.5
317.24649	3.3
335.25818	79.1
336.26114	2.6
421.30844	1.5
449.30298	2.3
467.31351	5.2
469.11063	1.3
485.32614	2.1
513.35516	2.4
531.36920	2.6
541.35101	6.2
559.36304	31.5
577.37714	1.6
651.01740	1.1
781.51288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01876	26.6
55.05515	46.1
57.03425	17.6
57.07065	7.0
60.08129	5.6
61.36128	4.9
62.67181	5.2
67.05508	54.7
69.03425	8.1
69.07079	24.1
70.96892	12.7
71.04971	17.5
71.77866	4.7
79.05492	81.3
81.03416	29.1
81.07059	81.4
81.24259	5.1
83.01321	6.5
83.04952	18.0
83.08617	23.8
85.02895	22.5
86.09691	23.7
91.05483	98.4
92.97510	4.5
93.07049	97.5
95.04956	13.6
95.08611	54.2
97.02858	9.9
97.06528	11.8
97.10165	10.7
99.08073	10.5
104.78297	5.6
105.07028	100.0
107.04969	10.8
107.08585	55.3
109.06512	15.8
109.10141	15.3
111.08121	6.1
117.07042	32.8
119.08588	82.0
120.82009	5.2
121.06506	6.3
121.10144	36.6
123.08082	8.5
123.11697	5.5
124.99998	9.8
125.09614	10.5
128.06224	6.3
129.06981	19.6
131.08575	42.6
133.10132	59.4
135.08037	8.3
135.11674	37.9
139.83437	4.4
143.08531	22.1
145.10110	50.4
147.11702	62.5
149.13217	10.7
157.10097	14.8
159.11708	26.3
161.13264	33.4
163.11230	37.2
165.12776	6.7
171.11678	24.1
173.09633	7.7
173.13216	9.4
175.14798	10.5
184.07336	83.6
185.13251	13.8
189.11195	9.6
191.10513	6.0
199.14798	10.2
209.11632	7.7
227.12730	17.2
231.21098	10.4
241.19456	32.4
259.20584	99.5
275.20078	13.1
283.15344	91.3
285.16965	9.8
297.22266	9.5
315.23285	14.0
333.24231	77.4
349.23624	10.0
427.23935	4.9
431.29346	6.7
449.30490	8.7
467.31277	8.4
523.34076	8.0
541.35260	99.6
542.34998	8.4
559.36353	46.5
700.78101	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	4.4
53.03941	4.9
55.01860	4.9
55.05514	24.8
57.03440	15.0
57.07067	2.2
59.04976	2.0
60.39040	1.2
61.02919	4.6
65.03940	2.8
65.55071	1.3
67.05506	58.4
69.03427	3.4
69.07069	13.0
69.31843	6.4
69.32265	4.5
71.01344	1.3
71.04990	2.6
79.05493	36.9
81.03404	4.9
81.07058	57.6
83.04980	4.7
83.08619	15.0
85.02913	5.2
85.06532	3.1
86.09701	3.5
91.05484	37.8
93.07047	53.3
95.04961	7.1
95.08610	37.8
97.02882	6.9
97.06530	4.7
97.10147	2.7
99.00258	2.1
99.00825	18.6
99.08077	2.9
105.07036	29.5
107.04957	6.4
107.08599	28.4
109.02884	12.2
109.06525	4.2
109.10155	19.6
111.08119	6.6
115.03922	3.9
117.07048	7.3
119.08582	16.3
121.06525	6.2
121.10149	16.2
123.04399	1.9
123.08036	1.7
123.11713	8.4
125.09564	1.5
127.03934	2.0
128.06209	1.4
129.06987	1.6
131.08591	10.4
133.06482	1.4
133.10126	35.2
133.11070	2.5
135.08044	2.6
135.11703	9.7
137.09573	2.3
139.07535	2.6
143.08546	3.9
145.06482	1.6
145.10110	7.1
147.08006	1.8
147.11662	5.6
149.13254	5.0
151.11177	10.1
151.36900	1.2
159.11664	6.5
161.09642	17.0
161.13248	5.1
163.14810	3.4
165.09097	1.4
171.08083	3.4
173.13292	4.8
179.10663	8.9
184.07304	8.6
187.14973	1.5
189.09172	9.2
189.10857	1.8
197.11734	3.0
207.10156	3.3
225.11232	14.8
243.12230	3.1
243.21107	5.2
259.20435	1.5
261.22134	20.0
281.13904	3.2
299.14899	91.6
300.15189	1.9
315.23291	1.6
317.24762	3.6
333.24164	1.5
335.25806	100.0
336.26126	2.6
449.30643	2.0
467.31342	5.1
513.35516	3.5
515.37604	2.2
531.36926	1.7
541.35254	8.6
559.36322	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05513	14.6
57.03439	9.1
59.04990	1.8
67.05505	16.9
69.03423	5.7
69.07070	4.0
70.76028	1.0
71.04987	4.5
71.61440	1.0
71.61826	1.1
76.48096	1.1
79.05490	21.2
81.03416	45.7
81.07053	19.5
83.04983	4.9
83.08612	14.4
85.02905	4.5
85.06566	1.4
91.05486	17.4
93.07043	14.7
95.04970	18.8
95.08615	9.6
97.02902	2.3
97.06525	3.6
97.10171	15.9
105.07034	11.9
107.04951	13.3
107.08590	12.5
107.99142	1.3
109.06551	6.8
109.10168	7.1
111.04430	1.4
111.08080	4.3
117.07023	5.8
119.04949	1.8
119.08581	11.4
121.06504	7.3
121.10165	7.7
123.04430	2.6
123.08068	4.5
123.11730	3.0
125.09640	14.8
129.06978	7.9
131.04930	1.8
131.08568	10.5
133.06468	4.4
133.10132	5.1
135.08023	5.3
135.11726	3.0
136.47041	1.0
137.05954	2.1
137.09587	2.5
142.07809	1.9
143.08583	3.9
145.06480	5.6
145.10156	5.8
147.04420	2.9
147.08037	4.2
147.11707	5.9
149.09627	4.0
149.13255	1.2
153.09106	3.0
155.08469	2.3
157.06570	2.3
157.10107	8.1
159.11693	3.1
161.09641	2.7
161.13150	1.3
163.11197	4.2
165.12784	1.3
167.07072	1.2
167.10732	1.4
169.10133	2.7
171.08047	1.7
171.11649	2.1
173.09599	3.0
173.13258	1.2
175.11137	6.8
183.08017	1.2
184.07286	1.8
185.09712	1.4
187.11189	2.4
189.09244	1.0
189.11192	7.0
189.12758	1.9
191.10605	1.3
193.12260	14.7
197.13271	2.4
199.11211	2.4
205.12244	2.3
211.11307	1.8
211.13203	2.4
215.14357	1.8
217.12033	1.6
219.13808	3.7
223.11351	1.1
223.13361	2.1
227.12653	2.1
233.15387	4.2
249.15010	1.5
255.13818	1.9
259.13248	1.5
267.15912	36.3
273.14725	7.4
275.16519	1.2
283.16949	1.2
285.10043	1.5
339.23300	3.6
349.21661	4.3
367.22623	16.2
385.23734	21.3
403.24857	7.8
423.25357	1.7
425.14264	1.2
441.26328	7.8
459.27423	100.0
460.27570	2.4
477.28485	84.4
478.28778	3.0
491.30066	11.3
501.28549	2.5
509.30951	3.5
554.58191	1.2
567.29340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
54.65966	2.1
55.01862	3.7
55.05251	2.5
55.05510	36.6
57.03179	2.3
57.03437	21.3
57.07078	12.4
59.04992	2.3
60.08168	2.3
60.20591	1.6
61.02918	6.0
65.03947	4.5
67.05504	100.0
68.31523	2.2
69.03426	6.2
69.07067	22.6
71.01329	1.6
71.04988	5.1
71.08623	6.8
71.61822	1.9
73.02908	2.0
75.33514	1.6
79.05489	61.8
81.03421	12.3
81.07056	70.1
82.07380	1.8
83.04974	7.4
83.08628	19.5
85.02891	10.4
85.06545	4.9
85.10168	4.5
86.09692	9.0
91.03940	1.9
91.05479	38.9
93.06458	2.8
93.07045	57.5
93.07620	3.8
95.04965	20.0
95.08601	49.5
97.02888	5.0
97.06512	4.1
97.10163	21.1
99.04455	2.4
99.08086	3.4
105.07032	22.6
107.04950	8.9
107.08591	33.8
109.06533	5.6
109.10160	40.7
111.08092	4.8
115.05473	1.6
115.06762	1.7
117.07030	12.3
119.08564	19.7
121.06524	4.6
121.10145	23.9
123.08084	4.2
123.11694	6.1
125.00002	8.7
125.09634	15.4
129.06989	3.0
131.08562	17.4
133.10141	13.3
135.08031	4.0
135.11705	13.4
137.09602	3.6
141.06998	2.7
143.08582	4.1
145.10088	15.4
147.11691	6.3
149.09656	2.7
149.13249	7.6
151.11282	1.8
155.08548	1.9
155.10701	2.6
157.10112	3.1
159.11681	10.6
161.13255	4.2
169.10063	4.1
171.11703	3.1
173.11739	7.0
173.13280	7.1
175.10956	1.9
175.14803	2.8
177.12701	4.3
184.07327	40.1
187.11287	2.6
187.14818	3.4
189.11232	8.1
199.13237	3.2
199.14923	3.1
201.16396	1.8
205.12228	4.7
223.13286	47.8
227.12791	8.6
229.14336	16.3
243.21089	5.3
261.22122	14.8
297.16965	71.3
301.16394	4.9
313.27472	23.2
317.24817	2.5
329.24704	2.5
335.25803	79.2
336.26074	2.7
437.36560	1.7
447.32257	2.3
455.37082	5.6
467.37277	4.7
483.33997	2.6
489.35681	19.7
539.37848	5.7
557.38440	55.4
558.38226	2.9
613.47668	2.4
650.44128	3.5
754.44958	1.8
755.45728	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	754.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01867	6.7
55.05513	9.5
57.03426	3.5
57.07045	1.2
58.40255	0.9
65.97044	1.0
67.05506	19.1
69.03423	1.2
69.06767	1.2
69.07072	13.9
70.21318	2.6
70.21704	2.4
71.04984	3.4
79.05494	20.6
80.28763	1.1
81.03412	6.1
81.07058	26.3
83.04994	5.5
83.08605	7.0
85.02886	1.9
85.06554	1.2
87.20013	1.1
87.27960	0.9
91.05482	26.0
93.07043	22.2
93.27061	1.1
95.01310	5.4
95.04966	5.8
95.08601	15.0
97.02865	1.8
97.06526	13.6
97.10169	1.5
105.07030	39.5
106.49123	1.3
107.04984	6.8
107.08616	11.5
109.06518	3.8
109.10160	4.4
117.07030	7.8
119.07779	1.7
119.08585	20.9
121.06507	2.5
121.10123	5.1
123.08060	4.6
125.09640	1.6
129.07005	1.8
130.07748	1.1
131.08575	11.2
133.10135	18.0
135.08078	1.1
135.11694	6.7
139.07556	1.2
141.83231	1.1
143.08510	2.2
145.06522	1.3
145.10121	13.9
147.11664	6.6
149.09578	3.9
149.13251	1.2
153.12659	1.3
155.08549	1.9
159.11694	5.3
161.13293	2.0
163.11194	10.1
163.32297	1.0
165.09131	1.0
178.59827	1.1
179.14305	4.7
181.12245	1.2
184.07318	2.5
185.13150	1.1
197.07657	1.0
197.13333	1.3
197.22858	1.1
209.11697	1.4
219.17435	4.7
257.19043	2.3
275.20044	33.1
283.15399	25.4
293.20944	1.7
349.23682	14.9
398.96945	1.1
430.63507	1.2
539.33398	2.7
557.34723	100.0
558.34998	3.2
613.36688	1.2
661.55396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01857	2.0
55.05516	5.5
57.03436	12.4
57.07077	29.7
59.13464	1.1
65.03927	1.3
67.05506	15.8
69.03430	2.2
69.07062	9.4
69.55802	7.7
71.04966	1.0
71.08270	1.6
71.08632	22.1
79.05484	9.5
81.03421	59.6
81.07054	18.4
83.04980	3.1
83.08624	18.4
84.11197	0.9
85.02895	1.3
85.10181	12.6
86.09722	2.4
89.06049	1.6
91.05492	11.8
93.07053	6.5
95.04976	16.8
95.08611	21.5
97.02870	1.6
97.06517	1.5
97.10156	5.1
98.20759	2.3
99.11719	1.2
103.07587	2.1
105.07018	8.3
107.04943	4.6
107.08580	3.0
109.06512	2.4
109.10166	6.5
111.04431	1.5
111.08083	3.7
111.11668	1.3
117.07028	1.2
119.08579	8.7
121.06539	2.3
121.10122	3.1
123.04427	1.5
123.08067	1.5
123.11719	1.9
125.00050	1.3
129.07010	5.6
131.08560	6.0
133.06468	2.5
133.10107	3.7
137.09605	1.9
142.07802	1.1
145.10089	1.4
147.08017	2.3
147.11728	5.7
149.09644	4.8
157.10149	7.2
165.12653	1.5
175.11189	7.6
184.07373	11.7
193.12238	21.8
211.13268	2.0
239.23677	1.8
249.14819	1.6
257.24860	1.9
259.13260	1.1
267.15918	100.0
268.16183	1.1
309.16971	1.5
313.27368	94.5
314.27722	2.9
505.38885	76.3
506.39029	4.3
547.40253	2.3
611.46271	1.7
613.40021	1.1
732.67261	1.2
752.45935	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	752.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01875	10.7
55.05514	12.5
57.03437	3.3
67.05217	1.9
67.05507	22.9
69.03416	2.5
69.07072	15.3
69.32306	14.6
74.25758	1.6
75.27638	1.6
79.05495	24.8
81.03408	4.5
81.07060	28.4
83.04965	6.1
83.08611	5.1
85.06541	1.9
91.05478	35.8
91.12183	1.7
93.07050	24.4
95.01315	4.3
95.04970	8.0
95.08596	20.0
97.06535	21.1
105.06376	2.5
105.07034	38.8
107.04972	8.1
107.08601	11.1
109.06520	2.1
109.10158	5.1
117.06997	7.5
119.08590	18.6
121.06515	2.4
121.10132	4.7
123.08062	4.3
123.11677	1.9
129.06992	5.0
131.08588	9.5
133.10132	19.5
135.08006	2.2
135.11641	3.7
137.09624	1.9
141.60120	1.6
143.08568	3.8
145.10127	10.0
147.08096	2.4
147.11740	14.2
149.09605	4.7
159.11723	7.6
161.13260	4.6
163.11215	3.1
171.11649	7.6
177.12671	1.9
179.14284	6.8
181.67471	1.5
183.11650	1.8
189.12788	2.5
207.13773	4.6
215.20825	1.4
219.92400	1.6
257.19058	3.9
275.20071	46.9
279.15897	5.0
281.17511	24.7
293.21014	3.4
349.23779	18.3
479.25192	1.4
555.36798	100.0
556.36932	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	751.4629
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01853	5.7
55.05515	8.1
57.03440	15.6
61.02927	5.3
67.05486	16.1
69.03434	16.0
69.07063	14.1
71.04993	42.0
71.62162	4.9
73.02927	16.9
75.04471	8.3
79.05499	15.7
81.03411	8.2
81.07058	36.2
83.04982	17.2
83.08640	5.1
85.02416	5.8
85.02907	100.0
91.05456	11.5
93.07052	24.0
95.04977	5.0
95.08608	46.6
97.02886	28.2
97.10148	3.7
100.17479	3.2
105.07051	17.5
107.04965	3.1
107.08588	35.7
108.96468	2.8
109.06474	5.8
109.10147	28.3
111.04434	8.9
115.03927	28.3
117.06989	4.4
119.08630	16.4
121.10167	27.9
122.19739	3.2
123.11719	8.1
129.05463	23.7
129.07076	2.9
131.08546	10.1
133.10114	13.2
135.11673	17.2
137.13231	8.9
139.03915	5.5
139.11240	6.1
145.10115	11.2
147.06519	17.4
147.11674	11.3
149.13258	25.5
159.11705	10.5
161.13251	9.3
163.14789	4.8
171.11635	6.9
173.13254	10.9
175.14799	11.0
177.16415	38.2
185.13165	8.4
187.14766	16.0
189.16365	11.7
195.17433	11.9
199.14661	4.3
201.16341	9.0
203.17934	19.3
205.15820	5.1
213.16359	11.0
215.17920	10.0
225.07599	8.0
241.19516	7.7
243.08679	5.4
252.81056	4.1
259.16922	7.4
265.13394	3.8
269.22675	3.9
279.10648	12.1
354.66785	3.2
391.33606	8.3
397.30664	5.2
398.53220	3.2
409.34720	22.0
437.34164	90.6
455.35034	13.7
460.63916	3.9
501.22351	3.7
751.38251	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	1.9
55.05517	5.8
57.03442	5.6
57.07065	0.9
60.60793	0.6
61.02931	5.1
65.03942	1.8
67.05507	35.0
68.73720	0.7
69.03432	16.5
69.07067	7.1
69.30270	6.1
71.01326	0.7
71.04996	9.2
71.80642	0.7
73.02912	3.9
75.04474	1.4
79.05489	6.1
81.03417	6.5
81.07058	18.4
83.04978	2.4
83.08627	2.5
85.02907	79.8
86.03233	1.0
87.04471	1.8
91.03950	3.0
91.05469	5.2
93.07044	10.7
95.04957	1.9
95.08610	16.5
97.02894	22.0
97.06538	0.9
97.10179	1.0
99.04439	3.5
103.03959	0.9
103.05441	0.6
105.07028	11.9
107.08595	16.4
107.09283	1.3
109.02887	5.8
109.10158	100.0
110.10498	0.9
111.04445	1.3
111.08096	1.8
115.03899	3.3
117.05500	1.0
117.07053	0.8
119.08591	11.8
121.06503	1.1
121.10153	11.3
123.11720	4.3
127.03920	15.9
129.05486	3.3
129.06975	0.8
131.08572	3.0
133.04904	0.9
133.10126	9.0
135.11710	8.4
137.05969	0.8
137.13243	1.8
143.08559	1.3
145.04965	22.4
145.10141	7.5
147.06551	3.0
147.11688	9.4
149.13254	5.6
151.07584	0.7
153.05447	0.7
157.05026	1.1
157.10115	2.0
159.11687	6.4
161.13272	7.3
163.06053	5.2
163.14787	4.4
171.11681	2.0
173.13300	4.6
175.14839	3.8
177.16414	2.1
185.13292	2.8
187.14818	4.4
189.16347	9.8
191.17943	17.3
191.19548	1.4
199.14828	1.8
201.16394	5.8
203.14409	0.9
203.17978	8.9
205.15842	1.4
205.19597	1.5
207.17535	2.7
211.14796	0.8
213.16414	2.3
215.17984	3.6
217.19490	7.2
225.07562	1.1
227.18010	0.9
229.15933	0.7
229.19562	1.3
241.19531	0.9
245.22896	0.8
247.16919	1.4
255.20982	0.8
257.58337	0.6
258.43149	0.7
259.16891	0.9
279.10855	1.4
285.12497	1.2
287.19943	0.8
297.25757	1.4
303.13318	0.7
307.96915	0.8
351.30167	1.1
389.32016	1.4
407.32660	2.1
407.37396	5.0
409.34402	1.0
423.32565	1.1
425.37631	1.9
429.17236	0.8
435.32544	6.4
437.33972	1.2
447.17749	1.1
453.33731	5.3
485.45016	0.7
620.60669	0.8
749.44739	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	749.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01870	1.9
55.05509	7.2
57.03440	16.4
59.04963	2.2
61.02932	1.8
67.05506	14.1
69.03426	22.2
69.07065	7.4
70.06509	1.5
70.46379	2.0
71.01353	2.8
71.04633	3.2
71.04993	38.7
71.62108	3.4
73.02914	11.5
75.04476	8.6
79.05492	10.3
79.73132	1.6
81.03407	2.8
81.07048	25.4
83.04977	21.6
83.08601	4.7
85.02901	100.0
87.04462	3.5
91.05492	10.6
91.06013	1.6
93.07034	21.5
95.04954	5.9
95.08604	32.0
97.02887	23.7
97.06505	2.5
99.04469	4.4
103.03928	2.3
103.05444	3.3
105.07023	24.1
107.08587	31.2
109.06481	3.1
109.10152	19.6
111.04424	9.4
111.08060	7.7
113.02350	2.0
113.79848	1.8
115.03924	35.9
115.83121	1.8
116.98684	2.4
117.07030	4.2
119.08577	34.5
121.10123	18.6
123.11705	6.8
125.09620	1.8
127.03923	3.4
129.05470	27.4
131.08565	12.1
133.04980	2.9
133.10146	21.9
133.19858	1.8
135.11719	13.1
137.05962	6.0
139.03935	5.1
143.08569	5.3
145.04831	1.7
145.10115	24.4
147.06529	16.8
147.11681	22.4
149.05977	2.0
149.13254	20.8
151.03902	2.2
151.07545	3.2
157.04936	2.7
157.10158	6.1
159.11693	18.9
161.13240	19.6
163.07487	3.7
163.14815	6.6
165.07600	2.2
167.07040	6.9
169.10071	3.6
171.06471	2.7
171.11678	6.7
173.13261	15.7
175.14793	18.5
177.16322	14.1
185.13248	7.7
187.14778	19.1
189.16386	22.4
191.17909	5.3
197.13354	3.1
199.14774	9.3
201.16379	44.5
203.17937	12.1
205.15891	9.4
207.14378	2.0
207.17438	18.6
209.13316	1.9
211.14775	6.4
213.16365	14.3
215.17995	7.1
217.19505	2.5
219.13884	2.6
219.17477	5.6
221.15413	2.8
225.07536	8.4
225.16331	4.1
227.17960	5.3
231.17349	2.1
233.15430	3.6
233.19031	6.0
235.16995	2.0
239.17941	3.4
241.19485	6.0
243.08569	7.1
245.15395	5.4
247.16936	18.5
253.19566	2.9
259.16962	6.6
261.09692	2.4
267.21182	4.2
273.18573	4.6
279.10782	10.6
279.21118	3.6
281.22614	2.7
285.18518	2.7
287.19995	4.2
299.19974	2.8
325.21490	3.8
349.29031	2.7
353.24481	2.2
357.90634	2.0
389.32028	10.9
395.29346	9.2
407.33066	34.5
409.34656	4.2
423.32571	12.9
425.33694	2.0
435.32574	64.5
453.33621	54.0
453.40170	2.2
454.33820	2.2
659.31934	2.8
749.35797	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01882	0.6
55.05509	1.3
57.03429	2.3
57.07088	1.3
59.04982	0.7
61.02922	5.6
67.05505	6.9
68.48090	0.5
69.03437	2.9
69.07065	2.1
70.19681	1.0
70.20084	1.3
71.01347	0.6
71.04995	3.2
71.08641	1.0
72.81294	0.6
73.02913	4.0
79.05499	4.4
81.03410	3.5
81.07057	4.2
83.05016	0.8
83.08613	0.8
85.02911	6.2
87.04481	0.7
91.03957	3.6
91.05499	3.7
93.07051	5.4
95.04985	1.5
95.08611	4.6
97.02901	4.8
97.10146	0.6
98.21353	0.7
99.04484	1.1
101.02383	1.6
105.07034	1.8
107.08611	2.0
109.02885	1.1
109.10153	4.0
111.04443	0.6
117.07027	0.9
119.08603	1.7
121.10154	2.6
123.11643	0.8
127.03920	1.3
129.07101	0.6
131.08611	1.1
133.10153	1.2
135.11679	1.9
137.09633	0.7
145.05066	0.5
145.10156	1.0
147.11653	0.6
163.11220	0.6
184.07314	0.8
185.04182	0.6
193.12280	1.2
239.23775	0.8
243.08522	1.6
253.14262	1.3
267.15915	1.6
313.27393	3.1
335.26044	0.6
389.25165	0.5
435.31665	0.5
471.21957	4.1
505.38986	1.5
514.83508	0.6
519.29401	8.2
749.44434	100.0
750.44855	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	749.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
54.03685	1.4
55.01861	1.9
55.05513	8.0
57.03445	13.9
57.07079	1.8
59.08779	1.5
61.02927	2.6
61.74025	1.7
67.05496	12.0
69.03429	25.2
69.07067	7.0
69.14260	2.0
69.24223	5.2
69.24641	12.3
71.01345	3.2
71.04991	36.7
73.02923	18.0
73.45036	1.3
75.04486	9.0
75.56696	1.5
77.95165	1.6
79.05484	6.3
81.03425	1.9
81.07056	24.6
83.04980	17.0
83.08611	3.4
85.02908	100.0
87.04460	3.2
91.05479	8.9
93.07040	15.0
95.04970	5.0
95.08031	2.8
95.08607	31.0
95.09158	3.0
97.02900	28.7
98.20693	3.4
99.04480	2.7
104.98942	1.7
105.07028	22.7
107.08591	22.8
109.10152	22.7
111.04466	12.2
111.08064	7.2
113.02375	2.5
113.05989	1.7
115.03935	33.4
117.07002	3.1
119.07786	2.4
119.08582	34.6
121.10136	16.5
123.08032	1.7
123.11705	6.5
127.03893	3.3
129.05481	26.8
129.19872	1.6
131.08595	12.9
133.10143	22.1
135.11700	9.9
139.03951	9.6
139.11240	1.9
141.35201	1.5
143.08559	5.3
145.10118	23.1
147.06511	12.3
147.11691	19.7
149.13268	19.2
157.05026	2.0
157.10152	6.8
159.11719	18.1
161.13255	19.5
163.14832	9.2
165.07574	4.2
170.11017	2.2
171.11670	6.5
173.13266	19.6
175.14793	19.2
177.16396	10.7
180.95456	1.5
183.11707	2.9
185.13269	6.6
187.14859	13.6
189.16402	23.4
191.17993	3.5
193.15816	1.9
193.65974	1.9
197.13231	2.0
199.14809	11.6
201.16397	39.4
203.17943	11.1
205.15883	11.0
205.19472	2.5
207.17470	14.0
209.13306	2.9
211.14894	3.3
213.16425	9.7
215.17931	6.9
217.15813	3.6
219.13751	3.7
219.17436	4.1
221.15500	2.8
225.07608	10.5
225.16299	4.0
227.17967	4.3
229.19571	1.7
231.13860	2.7
231.17293	1.8
233.15327	3.3
233.18990	5.1
237.16344	2.0
239.17822	3.0
241.19522	5.3
243.08702	6.8
245.15324	6.5
247.16945	15.3
255.21053	2.7
259.16962	5.7
261.18530	2.4
267.20999	2.4
271.16788	2.3
273.18460	3.0
279.10703	10.2
283.24112	2.1
287.20013	3.8
299.19986	2.4
313.21561	2.8
325.21606	1.7
327.23254	1.8
353.25067	1.8
377.32135	1.9
389.32281	9.8
395.29385	9.7
407.33102	31.7
409.34546	3.1
417.31763	2.0
423.32529	10.6
425.30432	7.0
435.32608	63.6
436.32837	5.3
453.33649	49.1
454.33676	2.1
582.82568	1.7
749.43854	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81743	1.0
55.05502	2.3
57.03454	2.5
61.02926	6.6
63.81433	1.0
64.55466	1.0
67.05497	6.5
69.03423	4.0
69.07052	3.6
69.31116	8.3
71.04979	1.0
71.86937	1.0
73.02912	5.2
79.05479	3.8
81.03410	3.7
81.07060	5.8
83.08598	2.3
85.02898	4.2
88.47798	0.9
89.05980	1.3
91.03960	4.2
91.05496	3.0
93.07033	4.2
95.08611	4.7
97.02899	4.2
99.04449	1.3
101.32452	0.9
105.07021	1.7
107.08600	2.0
109.02903	1.9
109.10168	2.2
119.08577	1.8
121.10142	1.5
125.70516	1.1
127.03856	1.4
133.10103	1.6
153.29878	1.1
184.07269	1.4
243.08383	2.0
281.78064	1.1
337.27606	1.0
467.19019	3.2
469.20361	1.3
521.30829	8.8
747.42792	100.0
748.43262	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	747.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01858	1.6
55.05510	2.9
55.68642	0.9
56.09278	0.9
57.03436	11.0
57.63252	1.0
61.02931	2.0
67.05507	3.7
69.03431	17.1
69.07069	4.5
71.01354	3.0
71.04996	65.2
73.02911	8.0
75.04493	3.4
75.54326	0.9
79.05497	4.3
81.03424	2.6
81.07061	9.2
83.04967	9.2
83.08626	2.2
85.02908	100.0
87.04477	3.1
91.05498	3.9
93.07050	6.1
95.04958	3.6
95.08617	13.0
97.02895	16.8
97.06548	1.4
98.21474	3.3
99.04458	9.2
99.08101	0.9
105.07028	13.5
107.04976	1.3
107.08597	10.4
107.70702	1.1
109.06581	1.4
109.10160	6.1
111.04443	7.7
111.45422	0.9
115.03931	10.3
117.05502	2.8
117.07029	2.0
119.08580	14.5
121.10149	9.0
123.11713	4.2
127.03911	3.4
129.05486	25.6
129.07025	2.7
130.07811	1.1
131.08560	8.3
133.10150	8.6
135.11702	9.3
139.03922	3.0
142.07809	1.6
143.08568	4.4
144.09357	1.4
145.04991	4.0
145.10115	17.0
147.06532	10.2
147.11670	7.2
149.05978	2.0
149.13257	3.5
151.11093	1.0
155.08539	1.6
156.09351	1.1
157.04996	2.2
157.10130	8.9
158.10884	1.4
159.08038	1.4
159.11707	27.7
161.13286	5.4
163.06071	0.9
163.11119	1.1
163.14897	2.3
167.08592	1.1
168.09346	5.5
169.10159	3.1
170.10884	0.9
171.06535	2.8
171.11699	4.3
173.09636	1.5
173.13286	12.0
175.07724	1.0
175.14891	5.1
177.12778	1.2
177.16418	2.3
181.05022	1.1
183.11696	24.3
183.30412	0.9
184.12283	1.2
185.13277	8.3
186.13576	1.9
187.11314	1.3
187.14835	4.4
189.12694	1.2
189.16389	18.5
191.14275	1.6
191.17957	9.7
195.11681	1.4
197.13217	5.3
198.13864	1.1
199.14809	5.7
201.12750	56.3
201.16345	5.4
203.14339	8.2
203.17912	5.1
205.15953	1.5
205.19496	4.7
207.17424	5.9
209.13330	1.8
211.14859	2.6
213.16505	3.5
215.14368	6.5
215.17987	2.0
217.15962	2.6
217.19505	1.7
219.13814	5.9
225.07536	3.2
225.16454	1.5
229.15848	2.7
229.19446	1.2
229.73570	1.2
239.17796	1.3
241.19438	2.0
243.08629	2.9
243.13905	1.5
247.13303	35.4
251.18066	1.4
253.19551	1.2
259.13391	1.2
261.09760	3.1
261.14890	26.3
263.16452	2.0
269.19046	1.9
279.10818	3.6
299.19797	1.4
311.76807	1.1
363.30322	2.5
387.30548	2.8
389.32010	1.3
393.19150	1.2
405.31519	27.0
407.33167	1.4
423.32626	12.3
433.31131	4.1
434.31216	1.6
450.56360	1.0
451.32037	13.7
452.32687	1.4
469.33191	14.1
555.36755	1.9
659.41577	17.7
660.40759	1.4
701.42584	6.1
703.44110	2.2
747.43103	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01865	0.8
55.05500	0.9
57.03434	2.0
57.07061	0.8
61.02923	4.8
63.87725	0.5
67.05507	4.7
69.03419	3.3
69.07066	0.8
69.57847	0.6
73.02924	3.4
79.05502	2.7
81.03419	3.5
81.07056	3.8
83.08593	1.0
85.02910	6.5
87.04484	0.9
89.06026	1.3
91.03950	3.9
91.05484	2.6
93.07040	3.2
95.04974	1.1
95.08594	3.1
97.02890	4.9
98.21553	1.0
101.02387	1.2
105.07045	2.4
106.61446	0.6
107.08611	1.6
109.10137	1.0
119.08578	1.7
121.10165	1.9
127.03968	1.2
131.08546	0.7
133.10110	1.0
135.11650	0.6
147.11717	0.9
168.82190	0.6
193.12213	1.0
243.08449	1.7
251.12482	2.9
379.59375	0.7
469.20441	3.9
519.29279	7.6
747.42859	100.0
748.43304	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12508	0.7
54.48630	0.8
55.01849	1.0
55.05503	3.2
57.03426	2.1
57.07036	0.9
61.02935	5.5
61.03194	1.0
67.05507	4.7
69.03445	4.2
69.07059	2.3
71.61478	1.3
73.02911	3.8
79.05495	2.8
81.03414	2.9
81.07056	5.6
83.08628	1.9
85.02895	4.3
91.03951	3.3
91.05495	1.4
93.07052	3.5
95.04977	1.0
95.08597	3.7
97.02879	4.8
101.02364	1.8
105.07031	1.9
107.08591	1.3
109.10128	1.2
119.08582	1.3
121.10143	1.9
123.08080	1.0
127.03982	2.1
129.70844	0.8
133.10120	1.2
135.11716	1.8
142.21681	0.8
145.10201	1.9
163.11203	2.5
170.68236	0.8
240.36334	0.8
243.08508	1.7
249.11282	0.9
276.84488	0.8
304.14243	0.9
337.27332	1.1
459.42090	1.0
467.18918	8.2
521.30951	4.8
542.35309	0.9
743.17981	0.9
747.42859	100.0
748.43262	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05518	1.3
56.14494	0.4
57.03430	2.0
61.02930	5.8
61.97934	0.5
65.17289	0.4
67.05498	3.6
69.03429	3.1
69.07067	1.2
70.85944	1.3
71.01385	0.8
71.04990	1.0
73.02915	3.4
73.14983	0.5
74.12883	0.4
79.05490	3.0
81.03410	3.0
81.07066	4.8
81.91456	0.4
83.08591	0.6
85.02896	6.2
85.89669	0.4
87.04472	0.6
91.03960	2.9
91.05491	3.3
92.61826	0.5
93.07034	3.4
95.05000	1.6
95.08620	2.1
97.02892	4.9
97.06513	0.5
99.04482	0.8
99.42130	0.4
101.02365	2.4
105.07056	1.7
107.08641	1.5
109.02866	0.8
109.10176	0.9
117.07048	0.6
119.08611	1.5
121.10151	1.3
127.03943	1.4
129.07007	1.0
131.08553	1.0
133.10172	1.4
135.11765	0.6
145.05003	0.5
147.11728	1.4
149.13316	0.5
157.10205	0.6
179.54774	0.5
185.04303	0.6
188.53485	0.6
193.12163	1.0
243.08485	1.8
251.12683	1.1
264.88120	0.5
272.30685	0.4
297.08636	0.6
312.29562	0.5
335.26056	0.6
335.44620	0.5
348.10541	0.5
383.10077	0.4
390.05606	0.5
469.20514	7.2
519.29211	4.1
655.43005	0.6
747.42914	100.0
748.43280	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
54.08092	0.2
55.01860	0.7
55.05514	1.3
57.03218	0.2
57.03439	2.3
61.02635	0.4
61.02928	6.0
65.03950	0.4
67.05508	5.3
69.03431	3.9
69.07063	1.0
71.01382	0.2
71.04974	0.7
71.49980	0.2
73.02920	4.4
79.05499	4.0
81.03420	2.3
81.07058	5.6
83.08630	1.1
85.02907	6.3
85.06583	0.3
87.04474	0.4
87.35723	0.3
88.28799	0.3
91.03963	3.0
91.05482	2.9
93.07050	4.3
95.04981	1.0
95.08612	4.1
96.35350	0.3
97.02898	4.8
97.06529	0.4
99.04460	1.0
101.02386	2.0
103.03947	0.4
105.07055	2.1
107.04979	0.2
107.08606	1.8
109.02889	0.7
109.10154	1.5
115.03909	0.4
117.07037	0.2
119.08607	1.6
121.09422	0.2
121.10139	1.5
123.08113	0.3
123.11724	0.3
127.03921	1.5
129.07047	0.5
131.08534	1.2
133.10155	0.9
135.11714	0.8
145.10152	0.5
147.08058	0.2
147.11714	0.7
149.09625	0.5
149.13275	0.4
159.11790	0.3
161.13268	0.2
165.12846	0.3
175.11226	0.4
182.80592	0.2
184.07422	0.5
185.04288	0.5
187.18124	0.2
193.12274	0.6
203.05316	0.3
211.13193	0.4
237.72475	0.2
243.08380	1.8
251.12631	0.9
335.25851	0.6
469.20474	4.5
496.27802	0.3
497.31079	0.3
519.29285	8.7
671.19830	0.3
747.42908	100.0
748.43250	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	746.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.0
53.74905	2.9
55.05513	20.0
57.03420	14.0
57.07062	9.6
63.57970	3.4
63.64597	3.4
66.36842	3.0
66.80749	2.9
67.05502	28.1
67.05800	4.7
69.03426	5.8
69.07071	28.4
71.05003	4.9
71.08638	5.4
71.34073	3.5
71.61479	3.3
79.05491	27.2
81.03414	39.7
81.07057	36.3
82.07404	3.8
83.04967	10.1
83.08613	32.2
85.02900	22.0
91.05485	29.8
93.07043	24.0
95.04967	20.6
95.08636	21.6
97.02890	5.6
97.06519	3.5
97.10145	10.7
105.07032	13.9
107.04999	4.4
107.08559	9.7
109.06478	3.9
109.10146	9.5
111.08070	11.8
113.30069	3.7
119.08564	12.1
121.10137	15.5
129.06989	10.3
131.08560	11.2
133.10115	8.1
135.11688	8.3
144.05653	3.3
147.11676	9.6
157.10153	8.5
165.12674	4.9
171.62360	3.3
175.11234	9.8
180.17409	3.4
181.35510	3.7
184.07341	10.5
193.12253	30.0
211.13261	54.8
265.25317	4.1
267.15891	21.5
285.16974	71.7
339.28918	78.0
397.79507	3.2
531.40289	13.0
540.76685	3.8
549.33521	5.6
549.41516	100.0
550.41724	5.4
746.43536	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	745.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
54.13899	1.4
55.01865	6.1
55.05506	6.5
57.03439	11.3
57.07065	2.6
61.02934	10.1
67.05505	10.5
69.03433	34.3
69.07065	10.1
69.60640	9.6
71.01342	2.4
71.04991	3.3
73.02919	18.4
79.05489	9.9
81.03413	9.5
81.07061	21.4
83.04967	2.3
83.08624	6.0
85.02906	100.0
85.06553	1.4
87.04476	2.2
91.03966	3.7
91.05482	11.8
93.07043	23.7
95.04987	2.9
95.08032	2.5
95.08607	29.7
97.02896	39.2
97.06532	2.0
99.04440	3.4
103.04005	1.8
105.07027	24.4
107.08595	33.0
107.41199	1.4
109.02869	9.6
109.06502	2.8
109.10157	15.6
115.03946	10.6
117.06975	4.2
119.07771	2.7
119.08582	36.9
121.10152	24.5
123.11707	6.0
127.03910	18.0
128.06253	3.8
129.05452	1.5
129.07011	2.8
130.07843	1.7
131.08569	14.5
132.77950	1.4
133.04927	9.1
133.10124	20.3
133.54866	1.4
135.11700	20.0
137.05949	3.1
137.13264	2.9
141.07042	2.1
142.07751	3.1
143.08578	16.5
144.09343	2.4
145.04979	20.9
145.10127	27.7
147.08061	1.7
147.11681	14.7
149.06001	2.1
149.13240	6.0
155.08563	6.2
156.09343	3.7
157.10143	14.6
159.08046	3.0
159.11702	20.7
161.06015	1.9
161.09666	1.9
161.13280	12.9
163.06006	4.3
163.07533	5.9
163.14795	5.6
165.06941	1.8
165.12683	2.1
167.07109	1.9
167.08575	2.4
168.09357	3.9
169.10120	12.5
170.10846	2.9
171.11716	16.1
173.09770	1.6
173.13268	15.4
175.14819	12.2
177.09076	2.2
177.16402	7.6
179.08531	2.5
179.14278	3.1
181.10097	6.2
182.11000	2.9
183.11702	20.2
185.13271	14.9
187.07541	2.4
187.14819	13.6
189.16362	10.8
191.18144	1.4
193.10138	3.1
195.11719	8.0
196.12506	4.1
197.13229	13.0
199.14803	17.0
201.16377	13.0
203.10779	1.7
203.17992	4.6
205.12253	2.1
205.15976	1.7
207.11697	3.6
209.13210	8.7
211.14850	19.8
213.16327	12.6
215.17995	4.2
219.13770	1.9
221.13231	3.6
223.14799	7.3
225.16399	11.5
227.17943	4.7
229.12155	3.8
229.15779	1.9
231.13809	4.0
235.14897	2.8
237.16428	4.2
239.18036	3.4
241.19545	3.1
243.13950	3.1
245.15425	4.8
247.17004	2.6
249.16400	3.0
251.17958	9.1
253.19496	23.5
257.15421	26.0
259.17087	2.1
261.16528	2.4
263.17929	3.7
265.19449	6.0
267.20999	2.6
271.17007	3.7
277.19208	1.6
279.21082	3.9
281.22473	2.5
283.16931	2.7
285.18515	5.1
289.19440	1.9
291.21011	1.6
297.18506	9.2
299.20071	13.4
303.20990	2.1
311.20108	4.9
317.22733	2.1
324.43478	1.5
331.24106	1.9
337.21487	2.2
345.25580	1.5
349.21582	3.0
351.23218	3.4
363.23288	1.9
377.24670	3.9
387.30359	12.2
389.31857	3.9
391.25961	2.5
395.25974	2.0
405.31540	13.1
407.33069	3.1
433.31046	91.1
451.32098	73.4
452.32465	2.8
479.33325	1.7
552.95221	1.8
583.36438	1.9
745.41998	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	745.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18106	1.5
53.03933	6.4
55.01856	5.3
55.05505	7.6
57.03438	12.8
57.07066	3.0
61.02914	10.1
62.46809	1.4
65.35825	1.6
67.05501	10.0
67.59695	1.4
69.03069	2.0
69.03428	36.7
69.07057	9.7
69.24883	1.6
69.25161	16.8
71.01370	1.7
71.04962	4.4
73.02910	18.8
77.25900	1.6
79.05120	1.2
79.05502	11.2
81.03411	11.9
81.07047	16.3
83.01293	1.4
83.04997	2.5
83.08595	5.1
85.02905	100.0
86.54958	1.7
87.04470	3.6
88.41350	1.7
91.03947	3.7
91.05477	12.3
93.07042	25.4
95.04972	2.3
95.08601	27.4
95.82937	1.4
97.02892	41.6
97.06494	1.7
97.10130	2.6
98.20695	3.8
99.04436	5.2
101.02367	1.6
101.38844	1.5
103.03926	2.1
105.07023	25.5
107.08595	35.1
109.02878	8.8
109.10152	18.5
115.03949	9.2
117.06976	4.5
119.08585	41.7
121.10136	25.8
123.11695	5.9
127.03910	18.1
128.06210	2.1
129.06982	4.5
130.07698	2.4
130.75020	1.5
131.08565	16.7
133.04973	7.7
133.10123	19.9
133.39523	1.6
135.11681	19.8
137.13274	2.4
142.07756	2.9
143.08543	16.5
144.09370	2.0
145.04956	22.3
145.10118	23.9
147.11678	16.6
149.13297	7.4
153.12585	2.2
155.08577	7.6
156.09348	2.6
157.10107	15.0
158.10954	2.2
159.11687	20.7
161.13211	11.3
163.06099	3.1
163.07549	5.2
163.14828	5.2
165.09052	1.8
167.06999	2.5
167.08458	2.1
168.09309	2.5
169.10085	11.2
169.29739	1.5
170.10899	1.9
171.11678	15.3
173.13261	12.8
175.14772	12.5
177.16411	6.6
179.14278	3.2
180.09335	2.0
181.05017	1.9
181.10103	5.9
182.10931	3.1
183.11673	18.2
184.12433	2.4
185.13239	17.8
187.07571	2.9
187.14803	13.8
189.16338	11.0
191.18033	2.6
194.10934	2.1
195.11755	8.2
196.12485	2.2
197.13284	15.2
199.14807	17.2
201.16370	11.7
203.17978	4.2
205.12254	2.5
205.22629	1.5
207.11655	3.6
208.12413	2.6
209.13252	9.5
211.14810	19.3
213.16422	9.4
215.17914	4.7
217.12181	2.5
221.13287	3.9
223.14819	6.6
225.16367	7.0
227.17932	3.8
229.12201	3.7
229.15897	3.0
229.19470	1.7
231.13805	2.9
235.14749	2.5
237.16344	5.8
237.72479	2.0
238.16954	1.7
239.17929	5.3
241.19386	2.8
243.13753	4.6
245.15335	5.7
247.17021	2.8
249.16533	3.6
251.17926	10.0
253.19550	21.4
257.15369	27.0
259.17023	2.8
263.17947	1.9
265.19427	6.4
267.21063	2.3
271.16983	4.0
279.21054	2.3
281.19293	1.6
283.16876	4.2
285.18570	2.1
291.21158	2.7
297.18402	9.6
299.19992	16.3
305.22498	2.6
311.19916	2.7
317.22321	2.2
323.20013	2.8
325.21530	3.0
337.21582	2.4
345.25745	2.0
351.23093	4.3
363.22968	3.8
377.24759	3.9
387.30420	10.7
389.31790	5.4
390.25671	2.0
391.26550	2.1
405.31616	14.5
407.33014	2.7
433.31046	84.6
434.31216	2.6
451.32059	79.0
452.32568	3.1
469.20096	3.2
492.68930	1.6
583.35846	1.7
641.31586	21.6
745.42169	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05510	1.1
57.03428	1.5
61.02935	5.1
67.05514	4.7
67.99896	0.9
68.71094	0.8
69.03425	2.4
69.07069	1.3
69.91473	3.7
71.01366	1.0
73.02897	2.1
75.32207	0.8
79.05474	5.1
81.03406	2.5
81.07054	5.8
83.05006	1.2
83.97512	0.8
85.02907	3.0
86.09694	1.0
91.03950	2.6
91.05489	7.4
93.07053	6.0
95.04974	1.8
95.08616	3.0
97.02905	3.8
97.06542	0.9
98.20828	1.8
99.04458	1.2
101.02351	1.1
103.03880	1.0
105.07022	5.4
107.08604	2.0
109.02885	1.2
109.10174	1.0
119.08607	3.6
121.10130	1.7
127.03947	1.4
128.44038	0.9
129.07042	1.0
131.08563	2.2
133.10152	4.0
135.11688	1.1
141.02864	0.8
147.11725	1.8
157.10143	1.6
178.66158	0.8
184.07401	2.9
185.60602	1.1
202.84930	0.8
203.05244	0.9
233.11504	1.0
243.08543	2.5
249.06999	1.0
259.20624	0.9
378.12750	0.9
416.48553	0.8
451.19354	10.4
478.74246	1.0
535.28729	4.4
668.38629	1.1
745.41327	100.0
746.41675	5.1
768.27765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.52634	0.3
55.01872	0.5
55.05510	1.8
57.03444	2.2
59.05035	0.4
61.02630	0.6
61.02930	7.5
67.05505	5.9
69.03431	4.5
69.07073	1.0
69.33460	0.4
69.33807	2.6
71.01350	0.6
71.04982	0.4
73.02919	5.2
79.05492	4.6
81.03414	2.2
81.07059	5.5
83.01354	0.6
83.04998	0.7
83.08637	1.0
85.02910	7.2
87.04486	0.4
91.03957	4.4
91.05482	2.0
93.07049	5.0
95.04987	0.8
95.08609	3.6
97.02898	6.7
97.06542	0.3
99.04465	1.3
101.02383	2.7
103.03960	0.6
105.07011	1.6
107.08572	2.4
109.02908	1.4
109.06547	0.7
109.10178	1.8
109.66583	0.3
112.04736	0.3
115.03970	0.4
117.07059	0.8
119.08578	1.7
121.06537	0.4
121.10145	2.4
127.03924	1.6
131.08598	0.9
133.10127	0.9
135.11646	1.9
145.10176	1.0
147.11717	0.5
149.13333	0.6
156.19421	0.3
159.11729	0.5
163.11208	1.0
173.09689	0.3
182.64453	0.3
185.04311	0.8
203.05240	0.6
243.08415	2.3
249.11012	0.7
272.34518	0.3
272.53644	0.3
305.07565	0.3
310.57568	0.3
335.26047	0.7
467.18863	3.6
519.29358	10.9
563.94238	0.3
745.41345	100.0
746.41632	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01862	0.8
55.05501	1.0
57.03440	2.4
61.02932	6.4
67.05505	5.1
69.03424	3.7
69.07069	1.2
70.48009	0.4
71.04984	0.9
73.02917	4.8
79.05490	2.9
81.03404	3.0
81.07048	4.7
81.41697	0.5
83.04996	1.1
83.08626	1.1
85.02911	6.2
87.04456	0.6
91.03957	4.4
91.05460	2.5
93.07060	3.8
95.08604	3.1
96.90763	0.5
97.02895	6.2
97.06517	0.5
98.20660	0.9
99.04480	1.4
101.02374	2.7
105.07032	1.3
107.04980	0.5
107.08601	2.3
109.02877	1.3
109.10138	1.6
115.03933	0.7
117.72022	0.5
119.08588	1.1
121.10136	1.6
123.11685	0.6
127.03942	2.3
131.08549	0.6
133.10150	0.7
135.11739	1.5
145.10144	2.5
147.11658	0.8
160.25060	0.5
160.79329	0.6
163.11139	3.0
185.04167	0.6
213.77342	0.5
221.93884	0.5
243.08505	2.2
335.26129	0.6
467.18805	11.2
485.36932	0.5
519.29352	5.8
745.41333	100.0
746.41461	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01862	3.8
55.05511	22.9
57.03436	15.3
57.07067	4.3
61.02917	6.8
65.03944	2.1
67.05163	2.9
67.05506	54.1
69.03423	5.7
69.07069	25.1
69.32946	5.9
69.33372	10.1
71.04980	6.4
73.02888	2.6
79.05491	35.0
81.03418	49.9
81.07056	61.9
83.04988	14.0
83.08621	24.9
85.02906	24.0
85.06538	2.1
86.09688	3.0
91.03976	3.0
91.05484	34.2
93.07040	26.9
95.04974	22.3
95.08601	43.8
97.02881	8.0
97.06531	7.4
97.10166	9.2
98.20757	3.6
101.02399	2.0
105.07035	20.4
107.04946	4.6
107.08590	14.5
109.06538	3.0
109.10149	16.0
111.04476	1.9
111.08065	9.0
113.06007	2.9
115.05474	1.7
119.08572	20.4
121.06467	2.3
121.10139	16.8
123.08083	3.3
123.11700	7.6
125.09608	2.3
129.06966	8.8
131.08562	12.9
133.06488	3.0
133.10121	17.5
135.11674	4.2
137.09589	4.9
145.10135	3.7
147.11676	15.6
149.09622	4.1
149.27977	1.8
157.10138	9.3
159.11708	2.4
161.13240	3.2
163.11288	2.4
175.11180	7.5
184.07401	4.1
193.12236	39.1
211.13303	66.7
249.18515	4.2
263.23651	2.5
267.04504	1.9
267.15897	15.3
285.16959	73.6
289.48553	1.8
298.80222	1.7
335.25378	2.0
337.27396	72.8
338.27020	1.8
407.31656	5.1
467.18698	2.0
489.35590	1.9
529.38989	11.1
547.39960	100.0
548.39838	2.3
585.44897	2.0
674.74481	2.5
744.45880	29.0
745.41138	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05497	1.7
57.03430	2.1
61.02636	0.4
61.02930	6.6
66.30764	0.3
67.05505	5.6
69.03430	3.8
69.07063	1.4
71.05004	0.8
73.02917	5.3
75.72164	0.3
79.05498	4.4
81.03410	1.7
81.07059	5.8
83.04986	0.5
83.08618	0.8
85.02903	5.9
91.03963	4.0
91.05476	2.2
93.07051	5.8
95.08610	4.6
97.02885	5.3
97.06511	0.5
98.20760	0.9
99.04450	0.8
101.02370	2.3
105.07020	2.0
106.87752	0.4
107.04926	0.5
107.08591	3.0
109.02893	0.6
109.10163	2.0
110.52374	0.4
117.07024	0.8
119.08601	1.4
121.06456	0.4
121.10144	2.1
127.03896	1.8
131.08598	0.7
133.10109	0.6
135.11697	2.6
145.05020	0.6
145.10155	1.2
147.11722	0.5
150.66675	0.4
163.11148	2.1
184.07335	0.5
185.04260	0.5
227.12878	1.5
243.08415	3.0
249.10959	11.1
262.11273	0.4
305.13705	1.2
335.26111	0.5
347.96259	0.6
465.02264	0.4
467.18878	6.2
519.29315	8.9
583.36389	0.5
606.58667	0.4
644.12445	0.4
745.41302	100.0
746.41412	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18872	1.1
53.03941	2.4
55.01860	3.5
55.05515	20.5
57.03439	9.9
57.07067	5.2
59.05012	1.6
61.02922	3.9
66.84899	1.1
67.05507	15.5
69.07067	20.3
71.04987	3.2
71.08630	2.1
71.61961	1.6
78.17747	1.2
79.05496	15.4
81.03423	5.9
81.07056	22.2
83.01346	4.9
83.04963	6.4
83.08627	18.3
85.02905	5.0
85.06506	1.3
89.34921	1.2
91.05477	6.5
93.07048	22.7
95.04949	3.2
95.08607	16.9
97.02892	3.0
97.06535	4.0
97.10191	7.7
99.04475	1.6
105.07023	5.1
107.04945	4.0
107.08593	9.9
109.06519	4.1
109.10155	5.4
111.04417	1.6
111.08069	1.5
117.07046	2.6
119.08590	4.1
121.06524	1.7
121.10162	10.8
123.08059	6.9
129.06975	1.9
130.07698	2.1
131.08572	3.1
135.11681	10.4
140.90085	1.5
145.10095	8.6
149.13289	2.6
153.12746	2.3
163.11203	12.1
181.12285	1.7
184.07295	2.0
191.10651	2.6
209.11754	3.7
227.12845	3.5
270.05353	1.4
283.15402	100.0
284.15936	1.9
339.28949	73.3
547.39935	47.2
548.39630	1.9
582.73450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01878	2.0
55.05520	15.4
57.03436	9.9
57.07074	3.0
61.02929	4.3
65.03920	2.4
67.05506	94.7
68.05827	2.6
69.03418	2.7
69.07069	12.3
71.04998	19.6
71.08615	1.6
79.05497	38.1
81.03427	3.6
81.06573	2.1
81.07058	41.3
83.04988	4.6
83.08634	12.0
85.02888	3.3
85.06542	3.7
91.03961	2.0
91.05484	26.9
91.06005	2.9
93.07053	38.0
95.04958	4.1
95.08604	33.7
97.02872	2.5
97.06536	5.2
97.10167	2.2
105.07020	12.8
107.08593	22.4
109.10162	59.2
111.08067	2.8
117.07003	5.6
119.08575	16.8
121.10149	15.6
123.11658	3.2
131.08591	5.5
133.10149	6.2
135.11693	15.1
137.09634	9.2
145.10176	8.2
147.11745	4.2
149.13249	4.1
151.11270	1.7
155.10648	2.7
157.10251	1.8
159.11714	3.0
159.59541	1.7
161.13293	2.9
163.11215	2.1
173.11736	4.9
180.85751	1.6
184.07307	4.3
185.07671	1.6
193.12254	2.5
202.07144	1.8
211.13341	3.5
218.89557	1.5
229.14203	1.8
229.67191	2.8
255.15878	4.9
261.21954	2.2
285.16840	3.0
287.18512	17.7
335.25800	31.4
336.25906	2.5
337.27423	3.4
471.34656	2.5
489.35806	100.0
490.35770	4.7
503.36673	3.0
515.37152	11.1
547.39941	78.1
548.40454	2.7
744.45642	19.6
745.41589	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01871	10.0
55.05513	25.6
56.00114	1.5
57.03432	13.7
57.07078	3.7
61.02920	5.7
65.03922	2.9
67.05165	2.7
67.05505	50.4
67.90984	1.5
69.03424	3.7
69.06768	2.0
69.07071	22.4
69.63673	7.4
69.64092	3.3
71.04984	4.2
71.08617	3.4
71.42307	1.5
73.02885	2.5
79.05494	25.8
81.03425	7.5
81.07057	59.5
81.14013	1.7
83.01348	5.7
83.04978	8.7
83.08614	16.1
85.02885	6.5
86.09703	3.9
91.03959	2.4
91.05493	15.3
92.04792	1.7
93.07047	33.0
95.04959	6.0
95.08607	43.0
97.02870	5.3
97.06531	5.1
97.10150	7.0
99.04435	4.4
105.07029	12.0
107.04948	6.1
107.08603	17.9
109.06502	4.9
109.10156	18.0
111.04459	2.1
117.07003	7.8
119.08585	12.7
121.10145	11.7
123.08096	8.1
123.11691	7.0
125.00014	2.3
125.09599	2.3
131.08562	5.1
133.10130	9.2
134.52112	1.8
135.08058	2.3
135.11694	11.3
137.09628	2.3
137.13245	2.4
143.08521	2.0
145.10135	10.2
147.08055	2.5
147.11714	4.0
149.09543	1.8
149.13258	3.5
153.12733	3.8
155.08365	2.4
161.13248	4.8
163.11188	15.3
175.14769	3.7
181.12213	4.4
184.07358	10.3
209.11743	5.7
227.12787	6.2
240.98454	1.7
245.22697	2.8
263.23737	5.7
283.15402	85.3
284.15646	2.6
335.25726	3.7
337.27377	100.0
360.04645	1.7
527.37103	3.5
545.38391	83.9
546.38068	2.4
547.16418	1.6
653.00714	1.7
742.43970	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
53.99683	1.3
55.01873	4.8
55.05515	23.1
57.03437	13.8
57.07065	3.9
58.70941	1.4
59.00920	1.6
59.12053	1.3
60.40393	1.3
61.02912	4.8
65.03931	2.5
66.62154	1.3
67.05164	2.6
67.05506	40.5
69.03434	2.2
69.07069	14.6
71.04972	3.5
71.08608	1.6
71.34232	2.8
71.34563	2.0
73.02906	1.5
74.79932	1.4
78.23264	1.6
79.05494	25.7
79.05946	1.6
81.03410	11.3
81.07057	44.2
83.01345	8.1
83.04977	8.5
83.08627	14.4
85.02921	8.0
86.09676	4.1
91.05488	14.6
92.40539	1.4
93.07050	33.2
95.04962	5.5
95.08608	31.1
95.92519	1.6
97.02869	3.5
97.06524	4.1
97.10148	3.1
105.07051	12.5
106.52249	1.3
107.04941	5.4
107.08601	17.2
109.06501	6.8
109.10144	12.9
111.04462	1.5
111.08070	2.9
113.00100	1.5
117.07001	5.0
119.08577	9.9
121.10149	10.9
123.08065	7.6
123.11731	4.2
125.05927	2.2
125.09625	2.5
131.08597	4.2
133.10112	4.1
135.08095	1.4
135.11668	10.3
141.54005	1.4
145.10141	12.7
147.11679	3.0
149.13281	2.4
153.12770	2.7
158.41516	1.8
161.13304	3.0
163.11192	22.8
164.34377	1.4
173.09624	1.8
175.14857	1.8
181.12247	2.3
184.07332	8.5
191.10631	2.9
209.11716	5.6
220.07974	1.4
227.12752	6.9
263.23703	4.1
283.15408	100.0
284.15802	1.9
317.24893	1.8
337.27353	67.3
453.34314	1.8
545.38336	46.6
546.38428	2.2
742.43127	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64226	1.4
53.03953	7.0
55.01874	3.5
55.05258	1.7
55.05511	29.0
57.03439	19.7
61.02920	5.1
65.03937	3.6
66.25572	1.4
67.05504	59.0
69.03423	5.4
69.07067	12.9
71.04984	4.7
71.31885	2.2
74.56286	1.3
79.05492	51.7
81.03419	71.4
81.07056	71.2
83.04974	17.1
83.08617	32.0
85.02908	24.7
85.06534	3.3
91.05476	49.6
93.06456	2.8
93.07045	53.2
95.04971	31.3
95.08033	2.8
95.08609	38.3
97.02890	6.3
97.06512	5.7
97.10161	5.8
99.08062	2.1
105.04498	1.9
105.07036	31.4
107.04945	7.4
107.08591	26.1
109.06503	4.6
109.10155	14.0
111.04399	3.1
111.08053	8.9
113.06008	3.1
115.05505	1.8
117.07027	6.1
119.08575	27.9
121.06524	1.7
121.10143	23.0
123.08059	3.4
123.11668	3.6
125.09638	2.4
127.07328	1.9
129.07005	11.8
131.08563	16.2
133.06506	2.8
133.10120	18.0
135.11694	11.5
135.31209	1.4
137.09583	3.1
142.07767	3.6
143.08533	2.0
145.10127	5.9
147.08044	3.3
147.11691	18.5
149.09625	7.5
149.13275	4.2
157.10144	15.3
159.11670	4.2
161.13312	3.1
162.35843	1.6
163.14806	3.1
165.12756	3.2
166.73061	1.5
173.13239	3.9
175.11198	15.1
175.14819	1.8
177.16441	1.6
187.14854	2.7
193.10397	2.3
193.12241	50.8
211.13297	87.7
232.76233	1.7
236.48772	1.6
243.21085	2.4
261.22122	11.8
267.15924	15.7
285.16965	91.9
286.17477	1.6
317.24619	3.4
335.25797	80.0
336.26056	3.1
386.29068	1.5
443.89966	1.5
453.33527	1.8
527.37378	12.3
545.38373	100.0
546.38739	4.3
656.15399	1.7
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
53.03951	6.2
53.29377	0.7
55.01861	3.5
55.05254	1.6
55.05513	26.5
57.03182	1.3
57.03440	17.9
57.07070	2.0
58.07906	0.9
59.05001	1.2
61.02915	5.0
62.88479	0.9
65.03931	3.1
67.05505	66.9
69.03418	3.6
69.06707	1.1
69.07068	14.9
71.04987	5.5
71.05315	0.8
73.02899	0.9
74.64351	0.7
79.05493	49.2
81.03419	52.7
81.07059	63.9
83.04987	12.6
83.08127	1.2
83.08621	23.6
83.59777	0.8
85.02906	22.6
85.06547	2.9
91.03971	1.4
91.05479	42.0
93.07043	51.4
95.04969	24.3
95.08607	42.2
97.02879	3.6
97.06533	5.0
97.10172	4.5
99.08112	1.7
103.05468	1.1
105.04518	1.4
105.07034	27.7
107.04960	6.0
107.08594	23.3
109.06527	5.1
109.10152	16.6
109.76726	0.9
111.04421	1.8
111.08095	8.9
113.06014	1.4
115.05440	1.5
117.07012	5.6
119.08582	25.5
121.06478	1.8
121.10139	23.1
123.08057	2.6
123.11712	6.2
125.09656	2.0
129.07013	11.0
131.07710	0.7
131.08565	17.2
133.06491	2.5
133.10124	15.9
133.11060	1.3
135.08044	1.3
135.11699	10.5
137.09622	2.5
137.13217	1.4
142.07777	2.4
143.08612	1.4
145.10132	6.8
147.08163	1.7
147.11687	16.3
149.09619	4.8
149.13249	4.3
157.10138	13.3
159.11688	4.8
161.13277	2.5
163.14758	1.5
165.12712	2.3
173.13264	3.3
175.11180	13.2
175.14799	1.2
184.07361	2.1
185.13231	0.9
187.14833	1.9
193.12239	36.2
201.16374	0.9
211.11581	1.0
211.13284	52.5
243.21085	2.8
261.22125	11.5
267.15933	11.7
285.16962	54.1
299.23709	1.1
317.24738	3.2
335.25803	98.0
336.26178	1.3
434.68723	1.0
435.32513	2.7
453.33670	1.9
471.34772	1.4
527.37305	13.6
545.38391	100.0
546.38580	2.5
625.09058	0.9
758.65356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
53.46053	0.7
55.01863	2.8
55.05512	14.1
55.74482	0.7
57.03442	9.2
57.07067	2.5
61.02906	1.5
65.03922	1.8
67.05505	38.8
69.03405	1.6
69.06770	0.7
69.07070	10.0
70.00428	3.4
71.04981	2.2
73.02889	1.2
79.05495	31.9
81.03410	1.8
81.07057	36.1
82.07385	0.8
83.04984	4.2
83.08611	8.8
85.02903	1.5
85.06520	1.3
91.05480	12.8
93.07046	46.3
95.05000	5.9
95.08607	46.4
97.02905	3.6
97.06525	2.6
97.10195	1.4
99.04449	2.8
99.08077	1.0
103.05471	0.8
105.07036	10.4
107.04949	6.8
107.08591	30.0
109.06485	1.5
109.10155	9.4
111.04432	1.5
111.08086	1.9
117.07018	8.6
119.08575	12.2
121.06472	4.0
121.10134	16.3
123.08072	1.2
123.11694	3.0
125.05988	1.5
127.07573	1.0
129.06992	1.0
130.07762	1.0
131.08588	5.6
133.10159	5.4
135.08098	1.1
135.11696	38.0
139.07507	1.2
143.08643	0.9
145.10124	19.9
145.83859	0.8
147.11682	2.8
149.13229	2.9
153.12741	1.5
158.59335	0.7
159.11658	2.4
161.13306	2.1
163.11185	39.2
163.14807	1.4
173.09618	0.9
173.13237	2.3
181.12221	6.9
184.07330	2.6
187.14813	1.1
209.11752	2.0
227.12782	53.1
243.21088	1.8
261.22128	6.5
283.15399	48.0
284.15872	1.5
317.24808	2.4
335.25800	100.0
336.26126	2.7
451.32581	1.1
543.36816	72.9
544.37085	2.9
561.37683	1.2
575.12262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01856	1.6
55.05508	15.2
57.03435	10.6
57.07069	2.0
61.02925	1.9
65.03941	1.6
67.05505	37.0
69.03407	2.6
69.07069	9.2
69.59652	7.2
71.04989	4.0
79.05060	1.7
79.05495	31.5
81.03418	38.2
81.07056	37.1
82.07406	1.3
83.04981	9.5
83.08619	17.8
85.02900	17.9
85.06539	2.3
86.09701	2.0
91.04951	1.7
91.05482	22.5
93.06459	1.6
93.07044	31.4
94.07396	1.0
95.04969	14.3
95.08604	27.6
97.02894	3.4
97.06541	2.8
97.10151	2.9
105.07019	16.7
107.04946	2.9
107.08582	15.6
109.06505	3.1
109.10163	9.8
111.04436	2.0
111.08082	6.9
113.06003	1.1
117.07013	3.6
119.08581	14.8
121.06446	1.2
121.10122	13.6
123.08034	1.4
123.11694	3.5
124.99948	1.9
129.07011	5.3
131.08568	8.0
133.06421	1.7
133.10120	10.8
135.11708	6.6
137.13196	1.2
142.07758	1.5
145.10115	4.5
147.08086	1.1
147.11685	10.5
149.09622	3.6
149.13260	2.8
151.98911	1.1
157.10118	8.0
159.11693	2.4
161.13278	2.4
163.11243	1.4
163.14717	1.2
165.12752	2.4
173.13271	1.3
175.11188	8.0
177.16298	1.1
184.07338	7.6
187.14833	1.3
193.10597	1.9
193.12241	24.5
211.13297	38.8
227.12744	3.0
228.13129	1.4
243.21016	2.0
261.22192	5.1
267.13220	1.6
267.15884	11.0
283.15302	2.1
285.16965	41.7
317.24796	1.3
335.25790	61.9
336.25980	3.8
337.26538	1.4
435.32394	1.1
527.37317	7.9
544.37158	1.2
545.38342	100.0
546.38635	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01874	9.2
55.05509	23.1
57.03436	18.7
57.07068	2.8
58.53318	1.3
59.04996	2.3
61.02913	4.2
65.03950	1.8
67.05504	53.6
69.03410	4.2
69.07063	12.6
69.34306	12.1
71.04982	4.5
73.02892	3.9
75.33878	1.3
79.05049	2.4
79.05491	42.4
81.03426	8.3
81.07054	50.5
81.18475	1.3
83.01331	7.7
83.04974	12.1
83.08619	15.8
85.02892	10.1
85.06512	3.1
91.03946	1.9
91.05479	26.6
93.06459	2.8
93.07043	54.6
95.04978	9.1
95.08606	38.2
96.21540	1.4
97.02865	4.0
97.06508	4.2
97.10157	4.4
98.21432	2.9
99.04433	2.8
105.04488	1.6
105.07027	18.5
107.04962	7.7
107.08592	31.7
109.06487	6.3
109.10148	15.5
111.04404	3.2
111.08067	2.9
117.06998	10.3
119.08582	18.4
119.38111	1.3
119.64177	1.5
121.06485	4.2
121.10140	20.2
123.08067	8.6
123.11718	5.1
125.09590	3.8
129.06981	2.1
130.07751	2.0
131.08549	12.5
133.10117	12.4
135.08005	2.0
135.11699	19.2
137.09612	2.8
137.13286	1.6
143.08554	1.9
145.10115	20.0
147.08090	2.2
147.11673	6.5
149.13248	5.4
153.12785	2.3
159.11687	4.5
161.13231	4.5
163.11165	21.2
163.14824	3.8
173.09691	3.2
173.13301	6.9
181.12216	2.5
184.07370	2.1
187.14824	2.4
189.11183	2.1
191.10619	3.4
201.16272	1.7
204.74165	1.4
209.11734	9.7
225.41772	1.9
227.12750	8.5
243.21078	5.4
250.58429	1.6
261.22150	20.7
283.15390	89.2
284.15726	2.6
299.23651	5.8
308.32504	1.5
315.23132	1.7
317.24765	6.8
335.25793	100.0
381.61679	1.6
400.35007	1.4
433.30710	2.2
451.32144	2.2
453.29547	1.5
525.35730	5.3
543.36792	69.4
544.36713	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01874	7.6
55.05260	1.3
55.05515	21.6
57.03439	16.1
57.07069	2.2
59.04997	2.4
61.02928	4.2
65.03943	1.3
67.05504	45.2
69.03415	2.7
69.07072	11.3
69.96783	5.9
71.01354	2.3
71.04983	4.7
72.70373	1.2
73.02903	1.3
79.05048	2.4
79.05494	42.0
81.03424	11.5
81.07056	48.2
83.01333	7.4
83.04976	11.7
83.08615	12.7
85.02912	6.5
85.06539	2.0
86.09722	1.3
91.03948	1.7
91.05482	23.6
93.06458	2.7
93.07047	48.8
95.04958	7.8
95.08606	32.2
95.09885	1.2
97.02888	3.3
97.06544	6.2
97.10180	4.2
99.04446	2.4
105.07034	16.4
107.04958	8.3
107.08598	23.7
109.06561	6.6
109.07208	1.5
109.10161	15.2
111.04464	2.8
111.08117	2.0
117.07002	9.1
119.08588	15.0
121.06494	4.2
121.10147	16.4
123.08080	7.5
123.11706	3.4
125.06081	1.1
125.09631	2.8
129.07051	1.8
131.08575	9.1
133.10129	10.3
135.08073	2.2
135.11696	18.9
137.09662	1.1
137.13312	1.2
143.08528	1.8
145.10123	18.0
147.08046	1.4
147.11684	4.0
149.09631	2.7
149.13243	4.6
153.12781	2.3
155.08690	1.6
159.11710	4.0
161.13264	3.1
163.11192	21.9
171.11687	1.6
173.09648	2.9
173.13278	4.8
181.12288	3.3
184.07350	4.3
185.07713	1.4
187.14844	3.1
189.11208	2.8
191.10681	2.9
193.12177	1.5
209.11717	8.2
211.13235	1.8
227.12773	8.8
228.93558	1.1
239.17215	1.2
243.21115	6.2
259.20334	1.2
261.22153	11.9
267.15768	1.3
283.15393	100.0
284.15717	1.3
299.23743	4.0
317.24777	3.7
333.24353	1.8
335.25803	72.5
336.26187	2.3
451.32266	2.8
469.32858	3.5
501.45465	1.2
519.96796	1.2
525.35974	3.9
543.36768	45.4
544.37402	2.2
561.37781	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	733.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.7
57.03435	6.4
67.05505	10.8
69.03432	17.0
69.07069	8.2
71.04997	54.0
71.15594	5.1
73.02906	8.1
73.23956	2.3
75.04493	3.6
79.05489	10.3
81.03403	3.0
81.07056	11.4
83.04982	11.6
83.08624	6.9
85.02910	87.9
87.04485	2.9
91.05477	4.6
93.07060	19.2
95.08610	35.3
97.02891	19.7
97.10204	2.6
99.04464	8.3
105.07038	15.6
107.08588	23.1
109.10170	18.4
110.87588	2.6
111.04464	6.3
113.05976	2.3
115.03902	16.9
117.05511	3.6
119.08578	27.4
121.10135	23.6
123.11743	5.2
127.03986	5.1
129.05507	28.2
131.08560	11.9
133.10135	23.1
135.11700	19.3
137.13210	3.6
145.05003	4.2
145.10112	15.7
147.06519	11.4
147.11716	12.8
149.13284	7.9
152.86893	2.5
157.10088	5.0
159.11693	13.8
161.13274	9.3
162.74286	2.2
163.14906	12.9
163.16115	2.5
163.25958	2.7
170.85374	2.4
171.06378	3.1
171.11740	3.5
173.13274	10.6
175.14844	13.8
177.16368	6.4
185.13242	4.2
187.14825	10.3
189.16396	17.4
191.17958	100.0
199.14743	3.0
201.16380	54.8
203.17982	22.8
215.18002	6.7
217.19508	3.8
221.15204	2.6
225.07616	5.9
227.17969	3.0
229.19630	5.8
243.08676	5.5
247.16895	31.1
255.21214	2.6
261.18512	6.4
279.10736	4.8
289.74509	2.7
308.89618	2.4
391.33456	6.9
395.20245	2.8
409.34628	6.9
437.28674	4.5
437.34146	37.6
453.10300	2.4
455.34985	4.8
483.21927	5.1
526.80511	2.5
645.27466	16.1
733.35547	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	733.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05506	9.1
56.82990	2.6
56.96566	3.5
57.03441	13.8
57.07066	3.4
59.74179	2.2
62.47271	2.3
65.03922	2.8
67.05494	7.4
69.03423	17.9
69.07058	10.0
71.04995	54.6
73.02901	10.7
75.04487	3.2
79.05492	8.2
81.03419	2.7
81.07046	17.2
83.04999	12.8
83.08613	5.1
85.02908	100.0
85.03425	5.9
91.05469	8.5
93.07039	15.4
95.04967	6.3
95.08591	31.6
97.02901	17.7
97.06541	2.7
97.10138	3.1
98.97569	6.0
99.04456	5.3
105.07024	19.1
107.08595	26.7
109.10162	20.6
111.04444	8.0
115.03934	18.0
117.07012	4.2
119.07873	3.2
119.08596	31.1
121.10147	27.4
123.11719	6.5
123.61801	2.8
129.05478	26.6
131.08549	11.8
133.10138	21.6
135.11707	17.8
139.03897	3.2
145.10149	18.9
147.06509	13.4
147.11723	13.5
149.13254	9.1
151.07643	3.2
153.05566	3.4
157.10167	4.1
159.11717	17.1
161.13280	11.8
163.03931	3.2
163.14816	10.3
167.06975	4.4
173.13258	9.9
175.14845	15.2
177.16435	9.5
185.13264	3.8
187.14839	12.6
189.16386	20.7
191.17949	98.3
201.16397	54.0
203.17923	20.8
205.19601	3.3
213.16348	3.9
215.17941	10.2
217.19493	4.9
219.17307	2.8
221.15361	5.4
225.07431	7.2
229.19507	2.7
239.17804	2.8
243.08788	5.4
247.16956	35.1
261.18594	2.5
279.10886	3.7
293.12396	2.6
312.40070	2.5
362.99237	2.6
391.33698	6.7
409.34509	7.9
437.34195	37.9
455.35135	3.9
461.17575	2.8
733.37238	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	733.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01856	0.8
55.05499	1.6
57.03430	1.7
61.02932	4.3
64.11665	0.5
67.05499	4.7
69.03426	1.6
69.07066	1.1
71.04992	1.1
71.62395	0.7
73.02905	2.3
79.05497	4.5
81.03414	2.1
81.07072	3.1
83.04996	0.6
85.02911	3.4
85.06570	0.5
91.03959	2.3
91.05489	2.8
93.07053	4.5
95.04951	0.8
95.08615	1.9
96.94341	0.5
97.02905	3.1
97.06528	0.7
97.10117	0.7
99.04478	0.8
105.07041	2.3
107.08607	3.6
109.10159	0.9
119.08592	2.0
121.10177	1.5
127.03936	1.7
131.08549	1.0
133.10143	1.4
135.11687	3.2
145.10175	1.1
145.62215	0.6
147.11766	1.0
159.11740	0.8
181.12288	0.7
221.11536	1.0
243.08510	2.2
299.80017	0.6
301.09018	0.9
373.11029	0.8
429.17261	0.7
439.19424	9.8
440.20511	0.6
447.60904	0.6
469.20706	0.7
511.21576	1.3
535.28918	6.2
600.28674	0.6
733.41309	100.0
734.41876	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	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74220	1.2
53.03951	1.6
55.05519	2.6
57.03453	1.4
61.02930	7.0
67.05516	7.8
69.03425	3.2
69.07071	2.3
70.65505	4.1
73.02926	4.3
79.05517	3.6
81.03436	2.5
81.07053	8.9
83.08602	1.3
85.02912	4.0
86.09710	1.5
91.03972	3.9
91.05503	3.1
93.07036	6.1
95.08618	5.8
97.02909	4.3
101.02395	3.1
105.06991	1.8
107.08604	2.6
109.10159	1.6
121.10175	1.5
135.11726	2.0
149.13228	1.8
150.51375	1.2
159.11749	2.0
184.07396	5.2
185.04204	1.4
223.41435	1.3
235.13211	1.9
243.08400	3.0
453.21030	5.3
468.82544	1.4
519.29547	7.1
731.43402	100.0
732.43793	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	731.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01879	1.2
55.05505	2.9
57.03179	0.8
57.03438	11.2
59.04997	0.9
60.27117	0.5
61.02923	1.6
67.05508	3.5
69.00929	0.5
69.03429	10.0
69.07065	3.6
69.55357	2.9
71.01363	2.5
71.04994	67.8
73.02918	6.5
73.30791	0.5
75.04469	2.6
79.05481	2.5
81.03381	0.9
81.07059	7.6
83.04984	7.2
83.08614	2.0
84.60828	0.6
85.02906	100.0
87.04448	2.6
91.05463	2.9
93.07043	7.3
95.04983	1.1
95.08604	11.5
97.02902	11.6
97.03518	1.0
97.06533	0.8
97.10210	1.2
99.04460	7.0
101.06028	0.5
105.07033	6.0
107.08602	8.0
109.02913	0.7
109.10155	9.4
111.04451	4.6
113.06000	0.9
115.03937	7.0
115.75275	0.5
117.05498	3.0
117.06984	0.7
119.08577	8.5
121.10139	6.8
123.11694	3.7
127.03939	1.9
128.06274	0.7
129.05486	22.4
129.07047	2.0
131.08563	9.2
133.04987	1.1
133.10158	5.6
135.11678	6.2
137.05989	0.7
137.13303	1.1
139.03917	1.8
142.07793	0.7
143.08569	9.1
145.04982	2.7
145.10129	6.9
147.06520	6.6
147.11694	6.0
149.13263	7.3
157.05000	1.0
157.10123	5.7
159.11707	3.3
161.13234	3.1
163.06139	0.8
163.14830	1.5
169.10210	1.2
170.10988	1.8
171.06557	1.4
171.11746	2.0
173.13266	1.0
175.14848	1.0
179.07121	0.6
181.41197	0.5
183.11703	3.0
185.13263	51.6
186.13614	1.2
187.14810	14.2
187.16400	0.8
189.16386	6.4
191.17928	7.8
195.11656	0.7
197.13269	1.8
199.14836	10.0
201.16405	4.3
203.14349	1.0
203.17967	6.0
205.19505	7.2
211.14876	1.4
213.16353	1.5
215.17871	0.7
225.07663	1.7
227.17976	2.1
229.12343	1.5
229.19588	1.0
231.13803	39.0
233.15382	3.1
243.08643	1.3
243.13937	1.5
245.15413	5.0
247.16997	0.9
253.19650	1.4
257.15567	0.6
259.16696	0.6
261.09744	0.6
285.18600	0.7
299.20251	0.7
354.90689	0.5
358.16873	0.5
389.31796	3.1
391.33878	0.7
407.33234	1.1
409.34946	0.8
435.32584	21.9
436.32977	1.2
453.33789	3.6
470.81802	0.6
731.43640	89.6
732.44147	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	730.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
58.06325	0.3
58.06612	0.5
59.07374	0.3
60.08165	6.0
60.08467	0.4
67.05497	0.5
70.66029	0.4
70.66362	0.4
71.06784	0.2
71.07372	3.5
74.52497	0.2
79.05479	0.3
81.07037	0.3
86.09705	30.6
87.10066	0.2
91.05502	0.2
93.07039	0.2
95.08579	0.2
98.98466	3.6
104.10733	1.9
109.10160	0.2
125.00005	20.0
129.30659	0.2
138.56119	0.2
143.01067	0.2
153.58388	0.2
184.07336	100.0
185.07657	0.6
228.45990	0.2
388.76648	0.2
730.46411	3.7
731.46594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62074	1.2
55.05506	2.3
57.07078	36.7
57.32268	1.2
59.05010	1.3
67.05490	1.9
69.07070	4.7
71.08635	29.9
71.39471	2.8
71.44317	1.1
73.06564	7.8
79.05502	1.6
81.07058	3.6
83.08620	5.2
83.09155	0.9
85.10181	20.4
86.09705	3.5
87.04473	11.2
89.06036	100.0
91.05463	1.5
93.07059	2.3
94.45437	1.4
95.08604	2.7
97.10165	5.5
99.11727	3.3
101.67645	1.3
107.07052	3.4
107.08600	1.3
111.11731	3.6
112.93353	1.1
113.13303	1.7
117.09144	8.7
121.10190	1.4
125.00000	2.7
125.13290	1.4
127.14806	1.8
130.08620	2.0
131.07047	1.9
133.08611	50.7
137.53485	1.2
141.16449	1.5
148.09721	1.0
150.36882	1.0
161.11729	1.8
175.09653	1.8
177.11215	21.9
179.12720	1.4
184.07335	18.0
211.24271	2.3
221.13835	3.4
230.10704	1.3
255.26881	2.8
265.16562	1.6
299.29324	5.5
343.32022	2.6
503.30661	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	729.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09504	1.1
53.03936	2.6
55.01861	2.9
55.05510	9.8
55.77366	1.5
57.03226	1.2
57.03440	11.5
61.02917	2.7
67.05505	7.9
69.03418	10.7
69.07065	7.5
71.01352	2.0
71.04993	61.7
71.54183	1.6
73.02917	8.5
75.04496	2.2
79.05499	8.4
81.07059	15.6
83.04984	9.6
83.08630	3.5
85.02907	100.0
87.04460	3.5
91.05470	10.2
93.07045	17.0
95.05012	2.9
95.08611	17.9
97.02895	14.8
97.06480	1.6
99.04449	5.1
105.07023	19.6
107.08596	22.9
109.10155	12.2
111.04430	6.5
113.05981	1.9
115.03960	9.1
117.05471	2.1
117.07013	2.4
119.08582	30.2
121.10137	19.1
123.11707	4.7
127.03922	3.5
129.05484	21.7
129.06958	2.7
131.08569	14.9
133.10109	15.9
135.11699	16.6
137.05968	1.7
137.13245	1.9
139.03897	2.5
139.07535	1.3
141.06944	1.6
142.07767	2.9
143.08549	11.2
145.04948	3.0
145.10126	18.8
147.06499	9.4
147.11720	11.0
149.13229	5.6
151.07562	2.6
153.09036	1.7
155.08531	3.7
156.09349	1.8
157.10104	13.8
158.10909	2.1
159.11694	17.3
161.13298	8.1
163.07523	3.9
163.14784	4.1
167.07071	2.0
167.08495	2.5
168.09349	2.4
169.10123	8.0
170.10854	1.9
171.06523	3.1
171.11713	9.5
173.13261	12.4
175.14856	8.9
177.16351	5.1
181.10048	3.1
182.10918	3.4
183.11700	11.3
184.12283	1.7
185.13295	9.8
187.07559	1.6
187.14838	10.0
189.16385	7.7
191.17897	2.2
193.10022	1.7
195.11687	4.5
197.13239	10.2
199.14801	16.4
201.16435	10.5
203.17964	4.8
207.11714	1.7
209.13255	6.1
210.14101	1.4
211.14842	10.9
213.16380	7.5
215.17941	2.4
223.14787	5.5
225.07593	4.6
225.16344	8.1
227.17879	4.0
229.12134	2.4
231.13795	2.3
235.14838	2.3
237.16367	2.8
239.14282	1.8
239.17932	3.9
241.19406	2.9
243.08586	4.1
243.13837	3.6
245.15324	4.4
247.16867	4.0
249.16483	1.7
251.18022	7.0
253.19513	12.3
257.15314	16.3
259.17160	1.4
261.09576	2.5
265.19485	4.2
271.17029	3.2
279.21063	2.2
283.24030	1.5
285.18433	2.7
289.19458	1.7
291.21021	1.8
295.17023	1.9
297.18454	8.0
299.20029	9.7
308.61649	1.5
311.20239	2.7
323.20193	1.5
351.23029	2.0
363.23026	1.8
377.24722	2.1
387.30527	7.5
389.31888	4.5
391.26105	1.7
405.31598	13.3
407.32816	3.5
433.31061	68.9
434.31427	2.0
451.32074	65.6
452.32248	1.8
583.36108	3.6
599.29852	2.1
639.29565	2.3
729.30310	15.3
729.43359	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	729.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.05503	8.2
57.03445	12.2
61.02916	2.3
67.05511	9.8
69.03433	12.3
69.07065	9.6
70.95957	5.0
71.01361	3.7
71.04994	68.1
72.73402	1.8
73.02901	9.0
75.04469	5.7
78.49354	1.7
79.05471	7.7
81.03420	4.9
81.07050	18.2
83.04974	12.2
83.08619	2.2
85.02908	100.0
91.04012	2.0
91.05473	9.7
93.07054	19.8
95.04968	3.8
95.08604	21.6
97.02914	13.6
97.10092	2.0
99.04434	6.2
105.07037	17.2
107.08609	27.9
109.10174	14.9
111.04449	6.5
111.08083	2.1
115.03923	6.9
117.05469	5.4
117.07010	4.3
118.86477	1.7
119.08598	30.2
120.03957	1.8
121.06501	2.1
121.10135	17.4
123.11675	6.1
129.04607	2.3
129.05493	25.9
129.06985	2.7
131.08571	11.3
133.10129	15.9
135.11707	14.0
137.05966	2.8
139.03911	2.6
143.08522	13.0
145.10124	24.7
147.06520	8.4
147.11719	10.9
149.13246	7.1
151.07535	3.3
155.08557	3.4
157.10149	13.5
159.11690	19.0
161.13260	9.0
162.58165	1.8
163.07506	5.2
163.14850	4.0
167.07085	3.2
168.09283	3.3
169.10162	4.9
171.11700	8.5
173.13335	10.6
175.14822	10.1
176.29843	2.3
177.16348	5.3
181.10060	3.7
183.11723	14.1
185.04253	2.8
185.13289	10.4
187.14835	13.4
189.16396	8.6
195.11696	7.3
197.13254	11.2
199.14833	13.0
201.16351	9.6
203.17937	6.0
207.11829	2.7
209.13330	4.4
211.14813	7.1
213.16338	6.2
215.18040	4.5
221.13397	2.4
223.14796	4.3
225.07565	3.8
225.16336	5.3
227.17935	4.7
229.12119	2.6
233.13513	2.1
235.14856	2.2
237.16373	5.3
239.17938	2.9
241.19572	2.3
243.08539	6.2
243.13780	4.4
245.15363	4.4
247.16962	2.8
251.17937	4.9
253.19453	15.4
257.15497	17.7
259.16876	2.5
263.18106	2.7
265.19528	3.8
285.18524	2.5
297.18427	6.8
299.19827	9.8
301.08875	8.8
311.20120	4.0
345.26242	2.2
351.22977	2.5
385.18378	2.2
387.30420	7.7
389.31989	5.3
405.31412	7.4
407.33441	3.4
415.30209	2.2
433.31067	62.3
434.31100	5.3
451.32047	64.6
501.22824	2.1
527.21082	3.1
583.35938	2.2
588.10522	2.1
596.32190	2.5
611.30389	3.8
729.31171	29.0
729.42706	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	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
55.69181	0.2
56.05032	0.6
57.63435	0.2
58.06606	0.5
60.07869	0.4
60.08166	5.9
67.05495	0.6
71.07013	0.3
71.07375	3.3
71.61930	0.2
79.05501	0.4
81.07047	0.7
83.08614	0.2
86.09706	31.2
87.10019	0.2
91.05482	0.4
93.07043	0.5
95.08593	0.6
98.98466	3.4
104.10741	2.1
104.98277	0.2
105.07018	0.3
107.08629	0.2
109.10149	0.4
119.08585	0.2
125.00008	20.3
140.77704	0.2
143.01079	0.2
184.07343	100.0
185.07768	0.9
271.15491	0.3
302.41943	0.2
335.25708	0.4
370.64255	0.2
424.11636	0.2
466.22092	0.2
531.36749	0.3
691.64539	0.2
728.44861	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	729.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01874	0.7
55.05499	1.3
57.03427	1.8
59.05008	0.8
61.02924	3.3
65.18076	0.4
67.05502	2.8
69.03429	2.5
69.07057	0.7
71.05001	1.5
71.34622	0.7
73.02908	2.3
79.05486	2.3
83.04977	1.0
83.08622	1.3
85.02905	5.1
87.04478	0.6
91.03953	2.8
91.05497	3.1
93.07053	1.8
95.04979	2.1
95.08609	1.1
97.02895	3.4
97.06516	0.9
99.04469	0.9
101.02367	2.1
103.03947	0.9
105.07047	2.5
107.04961	0.6
107.08595	1.1
109.02895	0.7
109.06504	0.9
119.08599	1.9
121.06538	0.6
121.10160	2.0
123.08083	0.4
127.03973	1.3
129.05548	0.6
129.07031	0.6
131.08578	1.6
133.10144	1.6
135.11659	0.5
145.04941	0.5
147.11728	1.9
149.09668	1.9
157.10159	1.3
175.11211	1.0
180.44641	0.4
185.80103	0.4
193.12210	2.1
203.05238	0.4
211.13362	0.8
237.02614	0.4
243.08386	2.6
251.12569	0.6
260.31555	0.5
267.16037	0.8
283.15195	3.9
339.17981	0.8
444.04926	0.5
469.20471	9.0
501.23090	8.3
502.23386	0.5
567.31366	0.6
639.30084	1.3
729.36652	100.0
730.36993	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	729.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96956	0.4
53.03925	0.5
55.01860	0.8
55.05505	2.1
56.83576	0.4
57.03430	1.5
57.07076	0.8
61.02675	0.6
61.02932	5.1
62.25176	0.4
67.05505	4.4
69.03429	3.4
69.07066	1.7
69.68723	2.9
71.01328	0.5
73.02926	3.4
75.28819	0.5
79.05494	4.3
82.05959	0.4
82.41525	0.4
83.04994	0.8
83.08622	0.6
85.02908	4.5
86.09715	1.4
91.03947	2.6
91.05486	4.0
93.07047	3.5
95.04961	0.8
95.08586	3.6
97.02897	4.0
97.45690	0.5
98.21602	0.4
99.04467	0.7
99.08143	0.6
101.02368	1.5
105.07028	2.2
106.59142	0.4
107.04947	0.5
107.08591	1.9
109.02856	0.7
109.10160	2.0
119.08605	1.1
121.10168	1.2
122.86993	0.5
123.11711	1.0
125.00056	0.9
127.03923	1.5
131.08563	1.1
133.10138	1.6
154.62711	0.5
157.10135	0.8
159.11731	0.5
183.22411	0.5
184.07335	4.3
218.50089	0.4
220.19711	0.4
243.08430	1.4
270.93124	0.5
335.25851	1.1
351.23334	0.4
451.19406	3.7
519.29358	6.4
729.41791	100.0
730.42059	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	727.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.01390	0.4
55.01863	0.7
55.05509	6.0
57.03421	0.4
57.07074	2.1
62.15310	0.4
65.03918	0.7
67.05170	0.6
67.05505	7.3
69.03421	2.2
69.07070	8.3
69.63488	1.6
69.63885	0.8
71.05000	0.7
71.08621	0.7
73.02920	0.4
79.05486	3.1
81.03436	2.0
81.03851	0.3
81.07057	18.0
83.01339	0.7
83.08624	2.3
84.08153	0.8
85.02911	3.3
85.06560	1.9
85.38716	0.4
86.09701	1.4
87.00812	1.0
89.53158	0.4
89.60841	0.4
91.05486	1.2
93.07032	1.9
95.01333	1.1
95.04986	0.7
95.08607	12.5
95.09233	0.6
97.02895	1.0
97.10197	0.8
99.00822	6.3
99.04449	3.2
105.01891	0.6
105.07026	1.6
107.04951	0.6
107.08588	1.2
109.02886	2.4
109.06516	0.5
109.10152	5.9
111.11675	0.4
112.40153	0.3
113.02366	1.5
115.05457	0.4
117.01879	0.7
119.08563	0.8
121.06476	0.7
121.10154	0.5
123.04387	0.7
123.08012	0.4
123.11723	2.1
125.06026	0.8
127.03871	1.8
129.10197	0.5
131.08553	0.5
133.06480	0.5
133.10129	0.8
135.04399	1.0
137.05992	2.1
137.13278	1.1
139.07545	0.5
145.05002	0.7
145.10167	0.5
147.08002	0.6
149.05994	1.2
151.07571	1.1
153.05455	2.0
155.07080	0.7
159.02928	0.5
161.06030	0.6
161.09569	0.7
161.13251	0.4
163.03955	1.1
163.07556	1.8
167.07047	0.7
169.04840	0.5
171.08102	1.2
172.77679	0.4
172.79440	0.6
175.07530	2.3
175.11024	0.6
177.05482	4.2
177.09122	1.6
181.04948	11.0
183.06511	3.5
189.09106	7.4
191.07034	1.5
191.10628	0.7
195.06525	23.0
195.57373	0.4
203.10666	1.4
205.08572	1.0
207.06496	1.0
209.08089	11.8
217.12267	0.8
219.10211	0.7
221.08125	1.1
223.09642	12.1
224.09882	0.5
231.10170	0.4
235.09543	2.1
237.11209	14.6
249.11237	7.7
251.12779	4.8
256.16800	0.5
258.52411	0.4
259.16736	0.4
263.12839	2.9
265.14301	1.9
277.14319	1.0
279.15964	1.2
291.15924	1.4
293.17480	1.6
305.17410	1.1
307.19101	3.0
312.48730	0.4
319.19144	2.3
321.20676	0.9
333.09775	0.5
333.20432	0.9
347.21967	0.6
443.31500	3.5
461.32626	100.0
462.32819	2.7
479.33673	25.2
480.34030	0.7
641.38654	0.6
709.37506	1.1
727.38727	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	727.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01863	1.0
55.05509	1.7
57.03429	1.9
59.04996	0.8
61.02928	4.5
67.05507	2.5
68.18025	0.4
68.94025	0.5
69.03430	3.3
69.07069	0.8
69.35167	3.1
69.35577	1.3
71.05007	1.9
73.02932	3.4
73.54906	0.5
78.48444	0.5
79.05498	1.7
81.03426	3.8
81.07056	3.5
83.04986	1.2
83.08634	1.2
85.02911	5.0
85.27217	0.5
86.09718	0.5
91.03967	2.7
91.05477	3.8
93.07059	4.3
94.91601	0.5
95.04970	1.5
95.08617	1.8
97.02890	3.9
97.06510	0.8
98.20762	1.2
98.97558	0.5
99.04459	1.3
101.02376	1.4
105.07032	2.3
107.04967	0.9
107.08587	2.1
109.02889	0.9
109.06573	1.1
109.10185	1.1
111.08105	0.9
115.03986	0.6
117.07028	0.6
119.08598	1.8
121.10153	1.8
123.08109	0.8
125.06058	0.5
127.03913	0.8
129.07024	1.2
131.08582	1.8
133.10092	1.0
135.11697	1.0
137.09697	0.5
141.23805	0.5
145.10168	1.4
147.11713	1.2
149.09648	1.9
157.10130	0.8
158.34526	0.5
163.11201	1.8
165.09178	1.8
166.36028	0.5
167.06944	0.6
175.11189	1.2
193.12314	1.1
197.15515	0.5
225.14867	0.8
243.08406	2.8
248.20451	0.5
249.11137	0.5
267.16147	0.9
283.15268	3.9
289.49915	0.5
296.15613	0.5
339.17923	0.6
349.83310	0.6
391.28412	0.5
467.18945	9.3
468.93729	0.6
501.23114	9.4
637.22589	0.6
727.35095	100.0
728.35614	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.05515	27.4
55.43794	3.5
57.03443	28.4
61.02920	5.5
65.03934	5.2
65.36300	3.4
67.05509	60.9
69.03455	4.7
69.07079	15.9
69.47932	7.3
69.48341	18.5
71.04977	4.4
79.05499	58.3
81.03418	100.0
81.07059	69.1
83.04977	5.1
83.08627	23.2
85.02914	3.5
91.03972	3.9
91.05488	35.7
93.07051	54.3
93.30093	3.3
95.04961	34.9
95.08607	41.6
97.02921	5.7
97.06535	4.6
97.10181	8.4
105.07038	22.7
107.04967	7.6
107.08587	30.3
109.06538	6.0
109.10169	22.0
111.08105	5.1
117.07037	9.9
119.08620	23.2
121.10126	21.7
123.04389	3.6
123.08083	4.3
123.11724	7.2
123.55588	2.8
124.79303	2.9
125.09667	4.1
129.06981	11.4
131.08571	14.5
133.10123	17.5
135.11697	11.6
145.10124	9.1
147.11705	13.6
149.13303	7.7
157.10141	11.6
159.11737	9.5
173.13297	9.0
175.11197	7.6
187.14816	4.6
189.11223	6.6
193.12238	24.5
213.58661	3.6
227.12782	6.4
243.21057	5.1
251.87889	3.0
255.94910	3.0
260.20715	3.2
261.22183	23.0
267.15927	99.7
301.25241	5.0
309.17026	4.7
334.23691	3.5
335.25766	84.0
453.33676	8.0
471.34741	4.9
527.37286	40.8
545.38275	17.4
569.38458	7.0
724.43835	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	725.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44102	1.1
61.02918	3.4
67.05505	4.7
69.03419	2.6
69.07058	2.3
71.05001	2.2
71.61375	1.1
71.61773	1.1
73.02915	3.0
77.42081	1.3
79.05489	4.8
81.03411	4.1
81.07056	4.6
83.04970	2.0
85.02901	5.3
91.03947	1.6
91.05491	3.9
93.07043	4.2
95.04980	1.5
95.08607	2.8
97.02903	3.6
101.02428	1.2
105.07032	3.6
107.04996	1.1
107.08567	2.2
109.10220	1.4
119.08604	3.3
121.10135	2.4
131.08571	1.3
133.10127	2.3
165.09164	3.4
228.11548	1.3
243.08476	3.0
283.15173	3.0
323.09659	1.3
465.20874	8.5
501.23294	9.1
582.00208	1.1
725.37134	100.0
726.37396	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	725.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01860	0.6
55.05506	1.0
55.76749	0.3
57.03439	2.6
57.07076	2.8
61.02930	5.6
67.05515	3.1
69.03423	2.4
69.07066	1.5
71.00214	0.5
71.01347	0.5
71.04985	0.6
71.08620	2.3
73.02920	4.3
79.05504	2.3
81.03420	4.3
81.07063	3.5
83.04967	0.7
83.08627	2.1
85.02906	5.7
85.10188	1.3
86.09715	0.3
87.04502	0.3
91.03968	3.0
91.05482	2.2
93.07045	1.8
94.42529	0.3
95.04967	1.3
95.08611	2.9
97.02892	5.1
97.06543	0.5
97.10164	0.4
99.04438	0.5
101.02362	1.6
105.07035	1.7
105.64816	0.3
107.04917	0.4
107.08605	1.1
109.02872	0.8
109.06485	0.3
109.10154	1.5
111.08125	0.3
113.05996	0.4
115.04005	0.4
119.08546	1.5
121.10172	1.0
123.11690	0.7
125.09654	0.4
127.03943	1.4
129.07027	0.7
131.08575	0.8
133.10126	1.1
135.08311	0.3
145.04973	0.4
147.11681	0.6
157.10139	0.6
175.11180	0.8
179.14374	0.5
185.04233	0.4
193.12245	1.4
203.05286	0.5
211.13275	0.4
243.08395	1.6
251.12622	0.9
277.21783	0.4
305.76877	0.3
307.15054	0.5
313.27618	1.1
469.20551	8.1
497.30893	4.8
529.38519	0.6
627.46191	1.4
722.63806	0.4
725.44482	100.0
726.32642	0.2
726.44781	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05494	1.1
57.03429	1.1
57.07073	3.8
57.40156	0.5
61.02929	4.3
63.89096	0.5
67.05505	2.3
69.03416	2.3
69.07068	0.9
71.08625	2.1
73.02908	3.6
76.69747	0.4
79.05503	1.7
81.03400	1.7
81.07051	2.9
83.04980	0.6
83.08634	1.2
84.55587	0.5
85.02920	3.6
85.10191	1.3
86.09741	0.4
91.03960	2.1
91.05482	1.2
93.07044	1.9
95.04999	0.7
95.08607	4.1
97.02882	3.5
97.10185	0.8
98.21547	0.8
99.04485	0.7
101.02369	1.6
103.03951	0.5
105.07045	1.0
107.08598	2.2
109.02917	0.6
109.10176	1.7
119.08568	1.1
121.10128	1.0
127.03951	0.5
135.11722	2.9
145.10121	1.5
163.11194	4.1
184.07391	1.1
185.04257	1.0
203.05417	0.5
219.09988	0.6
227.12781	2.9
243.08406	2.3
249.10986	9.3
305.13672	1.9
313.27573	1.1
467.18900	10.3
497.30927	5.5
625.44940	0.7
723.42889	100.0
724.43359	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	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05517	11.6
57.03440	12.4
67.05506	20.0
69.03427	3.5
69.07064	3.5
70.73320	2.5
70.73689	2.2
71.04958	3.9
79.05495	16.1
81.03419	77.1
81.07059	19.3
82.03721	1.6
83.04980	8.7
83.08614	20.1
85.02917	9.4
91.05483	20.5
92.18785	1.2
93.07050	13.3
95.04969	25.6
95.08605	9.2
97.02879	2.1
97.06522	2.7
97.10184	5.8
105.07039	16.4
105.40760	1.1
107.04955	6.8
107.08595	8.1
109.06516	4.1
109.10146	4.1
111.04464	2.0
111.08077	8.7
115.05428	1.3
115.15175	1.2
117.06995	2.6
119.08575	16.4
121.06493	2.8
121.10170	7.4
123.08076	3.2
125.09595	4.4
129.07013	10.6
129.84320	1.1
131.04939	1.2
131.08553	10.0
133.06451	3.7
133.10139	8.8
135.08031	1.3
135.11691	1.8
142.07787	2.1
145.06477	5.1
145.10117	1.6
147.08017	3.1
147.11674	8.6
149.09621	5.0
157.10130	10.2
161.05890	1.1
163.11177	1.8
165.12755	2.8
171.11627	1.3
175.11182	9.5
193.10614	2.5
193.12250	32.7
195.11615	1.7
197.13206	1.2
201.12750	1.4
209.11716	1.5
211.13283	16.5
229.14238	1.5
249.14984	1.6
255.13783	1.7
256.54071	1.2
267.15915	100.0
273.14886	4.2
283.15601	2.1
285.16968	15.7
341.21133	2.0
349.21527	2.0
367.22650	9.9
385.23712	10.3
403.24551	1.7
433.25864	15.3
437.25549	1.6
441.26352	7.5
459.27408	68.7
460.27844	1.8
477.28482	45.4
478.28430	1.9
585.29797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05507	1.7
57.03429	2.0
57.07064	2.5
61.02922	5.2
67.05495	2.4
69.03427	2.9
69.07073	0.8
69.36388	5.4
71.04986	0.7
71.08630	2.4
72.08151	1.2
73.02917	3.4
76.03320	0.6
78.25043	0.7
79.05493	1.9
80.47082	0.6
81.03420	1.7
81.07051	3.1
83.08613	1.6
85.02899	6.0
85.10165	1.2
91.03954	3.4
91.05473	2.0
93.07034	1.8
95.08607	2.4
97.02905	5.2
97.10195	1.0
98.21498	1.1
99.04501	1.1
101.02404	1.9
107.08577	1.1
109.02889	1.0
109.10138	1.0
115.03896	0.7
119.08577	1.0
121.10174	0.6
123.08083	0.6
127.03914	1.7
131.08539	0.6
131.24449	0.7
133.10132	1.3
135.11678	1.3
143.54951	0.5
145.10167	0.9
163.11224	1.9
243.08467	2.5
291.22946	0.6
313.27359	1.0
362.30487	0.8
467.18903	8.1
497.30954	4.7
614.14105	0.7
723.42847	100.0
724.43219	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	723.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.03438	1.3
57.07074	3.3
60.54228	0.6
61.02927	3.7
65.85272	0.5
67.05518	2.2
69.03423	2.5
69.07061	1.2
71.01349	0.5
71.08632	2.0
71.61710	0.6
72.05222	0.5
73.02923	3.1
73.23536	0.4
79.05506	1.4
81.03414	0.8
81.07047	2.4
83.04975	0.6
83.08624	1.6
85.02911	3.1
85.10188	1.2
91.03968	2.5
91.05482	1.0
93.07060	1.7
95.08614	4.0
97.02902	3.6
97.10181	0.6
99.04465	1.2
101.02396	1.8
105.07040	0.9
107.04957	0.6
107.08613	1.5
109.02885	0.9
109.10155	1.3
117.07065	1.0
119.08584	0.7
121.06475	0.4
121.10130	1.1
127.03924	0.9
133.10164	1.0
135.11678	2.7
142.69484	0.4
145.10138	1.6
163.11201	3.2
181.12262	1.0
184.07399	1.3
219.10016	0.7
227.12827	2.8
243.08395	2.1
249.11011	9.7
305.13678	2.0
313.27664	0.8
361.43015	0.5
467.18909	9.9
470.55890	0.4
497.30878	6.2
561.37872	0.9
625.45062	0.7
708.69275	0.5
723.42871	100.0
724.43323	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	722.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.05511	0.2
56.05034	0.5
57.07077	0.5
57.67470	0.2
58.06586	1.6
59.07386	0.9
60.07865	0.4
60.08163	5.8
67.05500	0.7
69.07099	0.3
70.06577	0.2
70.14416	0.2
71.07378	2.5
73.50284	0.2
79.05497	0.7
81.03427	0.4
81.07059	0.5
83.04993	0.4
83.08627	0.3
83.17529	0.2
86.09705	28.0
91.05504	0.4
93.07043	0.8
95.08611	0.7
98.07279	0.2
98.98471	2.1
102.03638	0.2
104.10749	2.2
104.97559	0.2
105.07039	0.4
107.04947	0.2
107.08584	0.2
119.08570	0.4
121.10145	0.2
125.00004	19.6
127.03916	0.2
133.10097	0.2
140.31053	0.2
142.35371	0.2
159.11684	0.2
184.07338	100.0
185.07755	0.3
209.23167	0.2
222.08926	1.4
224.10490	0.3
224.68881	0.2
227.12570	0.3
229.54454	0.2
240.09988	0.4
282.11090	0.3
313.09085	0.2
335.25757	0.5
341.12485	0.3
427.19440	0.4
432.44641	0.2
550.34821	0.3
722.45923	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	723.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39561	0.4
69.03426	0.5
71.61094	0.7
75.99121	0.3
85.02898	1.2
93.07018	0.8
97.02884	0.4
98.97597	0.7
100.40057	0.4
116.98657	0.7
123.68633	0.4
127.27128	0.3
137.05984	0.5
147.04388	1.2
153.12723	0.9
158.99689	0.4
163.03955	0.5
163.76082	0.4
169.04942	0.4
189.05464	0.6
193.12016	1.1
203.05264	4.2
219.01862	0.5
225.41319	0.4
235.11719	0.5
247.06065	0.7
253.12750	1.8
271.06076	0.7
271.13840	0.5
273.07501	1.3
293.04395	0.8
294.04843	0.6
321.04050	0.8
322.04340	0.9
323.05658	0.6
339.04953	2.1
340.05286	2.5
361.26886	0.4
373.18338	100.0
374.18610	1.7
616.72766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01878	4.8
55.05513	10.0
57.03435	7.1
59.04990	1.9
61.02887	1.0
67.05509	12.1
69.03418	3.3
69.07040	3.4
70.12324	4.4
71.04973	3.3
71.16858	0.9
73.02906	1.7
76.22015	0.8
79.05494	15.5
81.03419	35.3
81.07057	13.4
83.01319	3.6
83.04980	8.4
83.08618	12.4
85.02905	4.5
85.06542	1.2
91.05476	14.1
92.83147	0.9
93.07043	15.2
94.30704	0.9
95.04433	1.4
95.04978	14.8
95.08601	7.3
96.59544	0.8
97.02872	3.5
97.06516	2.8
97.10190	5.2
99.04503	1.0
105.07031	10.6
107.04973	8.2
107.08598	9.7
109.02823	1.2
109.06543	4.0
109.10146	3.9
111.04448	2.6
111.08079	4.3
115.05437	1.7
117.07022	5.1
119.04967	1.1
119.08578	10.9
121.06512	4.3
121.10150	7.0
123.04414	1.5
123.08079	4.7
125.05872	1.1
125.09602	3.5
129.07005	5.8
131.04895	1.3
131.08557	6.4
133.06468	2.4
133.10103	3.7
135.04428	1.4
135.08017	2.7
135.11688	4.9
137.09584	2.3
142.07793	1.3
143.08592	1.3
145.06462	2.3
145.10135	8.6
147.04430	1.2
147.08026	3.9
147.11667	4.2
149.09595	3.5
153.01753	0.8
153.07007	0.9
153.12729	1.8
155.08554	1.3
157.10146	5.7
159.08043	1.1
161.05978	3.1
161.09639	1.1
163.11168	9.6
165.09082	1.5
171.08026	1.1
171.11707	1.1
173.09610	2.9
175.11166	3.8
181.12222	2.1
189.09187	1.3
189.11179	2.2
191.10660	2.0
193.12215	9.7
205.12210	2.1
209.11641	2.1
211.11189	1.1
211.13326	1.6
223.03783	0.8
227.12764	2.5
231.13869	1.7
235.11205	1.1
243.13754	1.0
249.14835	1.7
257.76550	1.0
265.14221	1.0
267.15924	24.2
269.15500	1.2
271.13446	1.4
273.14822	2.0
282.47995	1.1
283.15387	20.4
289.14243	3.2
303.15762	1.2
338.04236	0.9
355.22729	2.4
365.20953	3.1
383.22107	17.9
401.23209	6.6
410.34897	2.0
419.24399	2.1
431.24554	1.3
439.24551	1.4
457.25897	29.9
475.26947	100.0
476.27084	3.0
493.27982	11.0
517.27710	2.7
722.38300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
57.03440	1.6
57.07069	2.3
61.02921	5.0
67.05515	3.5
69.03426	2.7
69.07082	1.8
71.08631	1.5
73.02919	2.3
74.15261	0.6
74.56996	0.8
79.05501	3.7
81.03455	1.2
81.07069	4.5
83.08618	1.3
85.02901	4.9
91.03954	3.3
91.05494	3.0
93.07072	2.4
95.04982	1.6
95.08611	4.3
97.02903	2.6
97.10176	1.1
99.04482	0.9
101.02383	1.6
105.07027	2.1
105.81493	0.9
107.08615	1.0
109.10175	1.2
116.32191	0.7
118.04418	0.7
119.08586	1.3
127.03909	1.2
129.07117	0.8
145.10178	0.8
147.11697	1.2
161.13252	0.8
183.75369	0.8
184.07564	0.8
243.08510	2.2
247.13231	1.3
313.27301	1.0
320.81961	0.7
383.00031	0.9
433.98312	0.8
465.20932	7.3
497.30865	4.8
609.44427	1.0
623.43970	1.0
721.44952	100.0
722.45306	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	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.05491	17.0
57.03419	11.3
57.69329	3.8
59.06117	5.9
65.03926	7.0
67.05507	66.9
69.07056	16.3
79.05493	62.2
81.03411	9.6
81.07058	62.4
83.04974	10.9
83.08597	10.3
85.07656	28.1
89.50018	4.1
91.05487	56.5
93.07051	71.2
95.04950	12.6
95.08618	40.4
97.06507	4.8
98.20612	9.2
102.30375	4.1
105.07038	41.4
107.08625	26.4
107.09260	5.3
109.06489	5.3
109.10152	9.9
117.07037	6.4
119.08612	23.9
121.10159	22.6
129.06987	18.6
131.08542	10.7
133.10115	15.2
135.11635	9.6
143.08569	6.8
145.10091	18.4
147.11681	26.6
149.13208	6.8
161.13261	11.0
171.11681	18.0
175.14767	4.6
189.12718	6.0
207.13782	18.1
261.22198	6.8
281.17474	40.9
330.78180	4.4
335.25751	57.2
376.95193	4.4
399.27155	4.8
466.25253	5.9
541.38879	100.0
541.51324	7.1
721.49951	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	16.1
55.01875	29.4
55.05516	28.6
57.03452	15.9
58.75190	2.4
60.02382	2.5
65.03937	5.6
67.05507	70.8
69.03423	20.5
69.07073	30.6
69.44393	4.4
69.44806	19.0
71.04993	9.5
73.02927	3.0
79.05499	60.9
81.03421	100.0
81.06571	4.3
81.07057	82.5
83.04973	23.5
83.08633	25.3
85.02915	15.7
85.06544	3.6
91.04948	5.6
91.05483	74.2
93.07048	59.9
95.01306	5.9
95.04971	32.2
95.08607	41.3
96.76820	3.0
97.02902	19.8
97.06535	38.2
97.10166	9.9
99.04471	8.1
99.08045	3.5
105.07028	74.6
107.04951	26.2
107.08604	28.3
109.02884	12.0
109.06522	9.2
109.10159	25.9
111.04443	11.1
111.08095	12.1
115.05463	3.6
117.07040	20.0
119.08587	47.4
121.06493	7.7
121.10159	20.4
122.20880	2.9
123.08064	4.9
123.11720	4.6
125.09617	6.9
127.03905	8.1
129.05521	5.2
129.07011	17.0
131.08566	31.7
133.06499	5.5
133.10136	44.1
135.08072	4.9
135.11662	10.7
137.09634	5.6
141.06982	7.8
143.08539	11.0
145.10136	26.8
147.07953	5.5
147.11679	26.1
149.09657	15.1
155.08542	4.6
157.10143	16.0
159.11708	12.8
161.13365	4.5
163.03903	3.4
163.11194	10.4
165.09183	3.6
165.12645	4.4
169.10149	3.8
171.11647	7.5
173.04460	7.8
173.09644	3.6
173.13268	7.6
175.11226	10.5
177.12769	4.6
179.14313	13.2
183.11682	6.1
184.07397	2.6
185.13158	4.5
187.11270	3.3
193.12242	28.1
195.13739	3.3
197.13272	3.5
201.84975	3.0
211.13290	41.8
219.17485	4.9
227.12834	9.1
229.14290	3.5
246.30505	2.8
247.20648	4.2
257.19064	9.0
267.15942	26.8
275.20065	93.1
279.15784	2.8
285.16992	11.6
293.21182	10.4
330.94070	2.9
349.23709	45.0
396.29956	3.5
411.20224	3.6
429.21271	23.9
436.32321	3.2
541.35272	45.6
559.36322	24.5
703.40521	31.7
704.40039	3.4
721.38190	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01862	2.3
55.05509	12.0
57.03179	1.3
57.03439	15.1
57.07075	29.5
59.04975	1.1
61.02927	4.2
65.03930	1.1
67.05505	19.6
69.03423	3.7
69.07074	10.3
71.04988	4.3
71.08628	22.1
73.02909	1.5
79.05497	13.5
81.03417	41.8
81.07053	26.3
81.07419	0.5
82.48170	0.8
83.04984	9.7
83.08620	23.2
85.02905	19.3
85.06521	1.6
85.10183	11.6
86.09727	0.8
87.04417	1.2
89.06042	1.2
91.03968	1.7
91.05479	21.5
93.07057	10.6
95.04969	17.2
95.08604	21.0
97.02893	3.6
97.06545	3.2
97.10171	6.0
99.08112	1.7
103.07585	1.1
105.07030	15.6
107.04956	5.3
107.08603	5.0
109.06526	2.4
109.10142	8.5
109.12886	0.6
111.04455	1.6
111.08096	6.9
113.06036	1.1
113.26104	0.7
115.05453	0.9
119.08580	12.9
121.10140	5.9
123.08058	1.4
123.11750	4.2
125.09616	0.9
127.03900	1.3
129.07016	8.3
131.08563	7.8
133.06503	2.3
133.09193	1.1
133.10138	8.7
135.11694	0.8
137.09599	1.4
137.13271	1.7
142.07799	1.8
145.10121	1.2
147.08060	1.6
147.11687	10.2
149.09644	4.8
157.10120	10.7
165.12755	2.5
175.11192	11.5
184.07353	3.1
193.12247	33.2
197.45506	0.7
211.13290	53.7
212.13664	0.7
239.23697	2.3
257.24808	1.2
267.15939	17.0
285.16959	65.3
286.17288	0.9
313.27359	73.2
314.27689	1.8
323.57547	0.8
505.38919	13.6
523.39935	100.0
524.40094	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	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01851	6.6
55.05508	32.4
57.03437	11.7
67.05503	84.9
69.03397	7.1
69.07076	25.0
69.82133	26.8
71.04984	7.5
79.05494	100.0
80.53873	4.6
81.03398	16.4
81.07059	79.6
83.04978	14.5
83.08611	13.6
87.50031	4.8
89.72450	4.8
91.05476	96.4
91.59651	4.8
93.07045	97.2
95.04957	20.3
95.08598	49.7
97.02892	10.0
97.06484	7.2
97.10167	8.5
104.10744	6.4
105.07026	83.0
107.04932	7.3
107.08595	40.9
109.06532	8.5
109.10117	11.7
111.08060	5.6
117.07005	24.2
119.08572	59.7
121.06488	4.7
121.10147	21.7
123.08039	5.0
127.03841	5.6
129.07016	21.8
131.08578	29.6
133.10129	37.4
135.11693	15.3
141.06927	5.6
143.08554	31.9
145.10110	36.8
147.11662	59.2
149.13245	9.5
155.08603	14.5
157.10094	19.6
159.11655	29.1
161.13280	24.2
169.10172	16.9
171.11729	39.2
173.13286	10.1
175.14807	11.4
181.10043	6.0
183.11679	11.6
185.13255	15.0
187.14844	6.3
189.12723	13.6
195.11752	7.6
197.13312	8.8
199.14857	7.6
207.13788	22.3
209.13338	11.0
214.63541	5.6
241.19547	23.8
259.20624	45.1
279.15976	12.6
281.17422	45.6
315.23203	6.0
333.24176	35.9
362.19031	5.5
429.31595	6.6
447.32651	18.1
465.33554	14.7
483.34747	14.5
521.36151	13.7
529.38727	9.7
539.37347	84.9
557.38361	49.5
628.43658	4.9
701.41632	6.7
719.42902	11.4
746.35931	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	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.5
57.03433	8.7
57.07077	20.2
58.07416	1.4
61.02934	3.4
63.45836	1.6
67.05521	12.0
69.03428	1.6
69.07047	7.5
69.60800	10.8
71.05005	1.6
71.08636	17.1
72.42896	1.3
79.05489	11.2
81.03411	29.9
81.07061	16.3
83.04971	5.6
83.08620	16.2
85.02899	10.8
85.10178	7.9
86.19038	1.3
91.05498	9.2
93.07043	8.6
95.04973	13.4
95.08612	16.4
97.10175	5.5
105.07011	7.0
107.04984	3.7
107.08594	4.6
109.06535	1.8
109.10155	7.6
110.65270	1.4
111.08081	5.1
117.06967	2.0
119.08578	8.7
121.10150	3.7
123.11708	2.5
127.03991	1.4
129.07011	3.2
131.08588	3.3
133.10117	3.4
135.11728	2.7
142.07811	1.5
147.11688	7.0
149.09615	3.9
151.18747	1.6
157.10120	5.5
163.11234	3.2
165.12750	2.8
173.50369	1.5
175.11227	8.0
184.07385	3.1
193.12276	22.0
211.13306	34.6
267.15930	10.4
283.15366	4.6
284.15784	5.4
285.16995	32.1
313.23932	1.5
313.27344	45.1
314.27707	8.3
315.27945	4.1
505.38983	7.0
522.38483	3.4
523.39899	100.0
524.40106	5.4
560.06177	1.7
661.69971	1.6
720.47363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.03436	2.7
61.02916	5.9
64.29715	0.9
67.05501	6.0
69.03416	2.9
69.07060	2.2
71.04977	1.3
73.02924	5.6
73.07269	1.0
79.05509	4.9
81.03420	1.7
81.07064	9.8
83.08598	1.2
85.02914	7.2
91.03943	5.0
91.05466	4.5
93.07030	4.6
95.08611	4.1
97.02879	4.9
99.04490	1.9
101.02414	2.9
105.07045	3.5
107.08624	2.4
109.02867	1.4
109.10155	2.0
115.03968	1.2
119.08597	2.6
121.10079	1.8
123.11702	1.4
127.03924	1.4
131.08568	1.2
147.11676	2.7
159.11699	1.2
184.07280	4.5
185.04410	1.2
207.67877	0.9
239.16190	1.3
243.08505	1.2
261.67404	0.9
302.63486	1.1
311.75623	0.9
343.76663	1.1
441.20987	7.8
519.29199	7.1
719.43414	100.0
720.43823	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	4.0
55.05516	9.0
55.40197	0.7
57.03436	12.1
57.07076	23.9
59.04991	1.2
61.02922	3.8
62.28781	0.7
67.05167	1.0
67.05507	12.7
69.03411	1.3
69.06771	0.7
69.07069	7.3
69.58115	2.3
69.58548	3.3
71.04984	2.1
71.08632	16.9
73.02904	1.6
76.56577	0.8
79.05489	11.4
81.03415	6.1
81.06583	1.0
81.07056	16.4
81.07790	0.8
83.01353	3.9
83.04977	6.8
83.08618	12.3
85.02911	5.5
85.10182	8.4
86.09702	0.8
89.06044	1.7
91.03947	1.6
91.05490	6.6
93.07051	15.6
95.04966	4.7
95.08612	15.2
97.02873	2.7
97.06503	2.8
97.10170	2.6
98.20728	1.3
99.04459	2.3
103.07526	1.0
105.07044	5.4
106.06435	0.6
107.04962	4.4
107.08586	8.0
109.06503	3.7
109.10144	6.5
111.04430	0.9
111.08109	1.8
117.07013	4.1
119.08588	4.5
121.06480	1.4
121.10144	4.7
123.08060	4.8
123.11692	2.5
125.05962	1.1
130.07774	1.3
131.08565	2.1
133.10130	0.9
135.08049	1.0
135.11687	6.9
139.07552	0.9
145.10121	11.0
147.07997	1.5
149.00566	0.6
153.12766	1.5
155.08588	0.9
163.11185	14.3
173.09543	1.7
181.12209	2.0
184.07376	2.2
191.10652	1.4
209.11755	3.7
227.12761	2.9
239.23659	1.1
254.00435	0.8
257.20529	0.7
257.24805	1.8
283.15396	100.0
284.15756	1.4
287.64386	0.8
313.27371	77.9
314.27658	2.0
521.38397	51.5
522.38818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01868	39.4
55.05504	24.9
57.03432	8.2
57.45398	4.0
65.45373	4.1
67.05502	51.1
68.58735	3.9
69.03419	20.5
69.07076	21.8
71.04980	9.3
71.62200	7.8
79.05487	45.5
81.02985	4.2
81.03425	52.5
81.07056	57.6
83.04961	18.4
83.08618	7.4
85.02907	9.7
91.05473	53.8
93.07035	50.9
95.04948	11.0
95.08605	36.6
97.02874	14.4
97.06543	55.7
99.04449	7.0
105.07034	58.0
107.04956	25.2
107.08591	27.9
109.02859	8.8
109.06487	7.0
109.10155	12.5
111.04436	8.9
111.08077	4.8
117.07043	13.2
119.08579	38.0
121.06496	10.1
121.10143	13.3
123.08025	5.6
125.09594	7.6
127.03881	12.2
129.06900	4.8
131.08565	19.7
133.10130	32.5
133.26509	4.7
135.08037	5.8
135.11676	17.4
143.08516	7.7
145.10118	24.8
147.11681	6.9
149.09592	7.2
153.12723	13.0
157.10207	4.5
159.11713	10.8
163.11174	15.5
173.04463	5.1
177.12701	5.8
179.14261	9.7
183.11552	4.4
191.10681	7.8
209.11626	6.6
227.12775	12.1
235.76118	5.0
265.14261	7.0
275.20081	100.0
283.15353	8.9
349.23682	26.8
353.15991	14.0
427.19702	41.6
428.19128	5.5
539.33423	16.6
557.34161	11.0
701.38904	44.5
719.46271	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52543	1.2
53.03946	0.9
55.01884	1.7
55.05303	1.1
55.05512	11.3
57.03440	8.0
57.07079	32.0
61.02927	1.5
67.05172	1.3
67.05507	18.1
69.03426	1.6
69.07068	9.2
69.23019	2.1
69.23418	11.2
71.04987	2.3
71.08279	1.7
71.08637	23.8
72.20618	1.0
73.02882	1.3
75.91953	1.1
78.12727	1.1
79.05492	18.0
81.03394	2.0
81.07060	23.2
83.04979	2.6
83.08619	12.9
85.02896	2.1
85.10191	12.2
86.09697	2.7
89.06028	6.4
91.05462	5.4
93.07047	25.2
95.04953	4.5
95.08611	39.5
97.02896	2.9
97.06503	2.3
97.10169	4.9
98.20701	2.6
99.04440	3.7
99.11717	1.7
105.03116	1.2
105.07036	5.7
107.04971	6.5
107.08602	21.1
109.10165	8.3
117.07026	7.4
119.08607	8.6
121.06481	4.7
121.10164	9.8
123.11741	2.8
124.99987	1.4
125.05965	3.3
129.17645	1.2
130.07771	1.6
130.69447	1.1
133.08591	2.1
133.10112	3.4
134.08888	1.5
135.08066	2.2
135.10663	1.9
135.11697	37.9
137.13266	1.6
145.09030	1.6
145.10138	29.2
163.11192	55.2
177.11232	1.7
181.12244	8.7
184.07411	6.3
209.11615	2.0
227.12785	57.1
257.24777	2.6
283.15405	95.1
284.15732	2.0
313.27368	100.0
314.27582	2.0
369.10303	1.2
423.69498	1.3
521.38403	92.0
522.38550	4.1
718.49756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60836	0.2
53.32265	0.2
55.05512	0.3
56.05035	0.8
57.07092	0.2
57.28615	0.2
58.06615	0.6
60.08166	6.8
70.04129	0.5
70.04553	0.9
71.07372	4.0
81.07041	0.4
86.09711	33.2
95.08622	0.4
98.98476	3.7
102.46015	0.2
104.10744	2.3
107.25304	0.2
122.47739	0.3
125.00011	22.9
125.45248	0.3
131.01573	0.2
162.45174	0.2
184.07347	100.0
185.07614	0.4
211.22333	0.3
245.81126	0.2
279.11472	0.3
312.67734	0.2
313.27457	0.3
435.49094	0.3
524.55328	0.2
718.46625	5.7
731.31927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05508	9.0
57.03439	6.3
57.07080	16.9
61.66336	2.4
67.05498	25.4
69.07068	9.6
69.35287	12.4
69.35713	8.9
71.07431	2.2
71.08635	17.0
71.86137	2.0
79.05501	30.3
81.07068	21.6
83.04987	6.5
83.08627	7.0
85.10179	8.0
89.06035	6.5
91.05486	27.6
93.07051	28.5
95.04969	10.0
95.08601	18.9
97.10186	3.5
97.21687	2.0
105.07035	18.9
107.08614	6.2
109.06561	3.0
109.10167	5.7
119.08608	13.0
121.88618	2.2
123.08153	2.8
123.11741	3.0
125.06065	2.5
129.07039	7.9
131.08540	2.2
133.08633	4.1
133.10114	6.3
143.08531	4.5
145.10130	5.5
147.10678	2.9
147.11656	15.8
161.09721	2.8
161.13298	5.6
171.11665	14.1
184.07379	9.5
189.12785	4.9
197.96454	2.5
207.13834	14.1
211.44604	2.5
239.23740	2.4
267.57715	2.6
281.17471	46.9
296.56641	2.6
313.27365	48.1
331.72437	2.3
453.06372	2.5
519.40424	100.0
520.41022	4.2
635.54254	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	717.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01880	0.4
55.05505	2.2
57.03437	2.3
61.02929	6.3
67.05503	6.3
68.08013	0.3
69.03423	3.9
69.07066	1.7
71.01347	0.4
71.04996	0.4
72.17932	0.4
73.02914	4.4
79.05494	4.4
81.03414	2.2
81.07063	4.8
83.04977	0.9
83.08630	0.8
85.02905	5.8
91.03951	3.6
91.05480	2.5
93.07042	4.8
95.08615	3.8
97.02898	4.9
97.06532	0.7
99.04472	1.3
101.02391	1.7
105.07038	1.3
107.08611	2.9
109.02895	0.7
109.10175	1.3
117.07001	0.6
119.08569	1.0
121.10123	1.6
123.08111	0.4
127.03956	1.7
131.08614	0.4
133.10121	0.8
135.11688	2.3
145.04951	0.5
145.10182	0.7
149.13361	0.4
184.07358	0.4
185.04257	0.8
218.36765	0.3
221.11580	1.0
230.88164	0.4
243.08379	1.9
278.10031	0.3
283.15506	0.7
312.26239	0.6
335.25739	0.4
364.04022	0.4
402.77582	0.3
412.84229	0.4
425.76071	0.3
439.19418	4.3
470.56732	0.3
519.29364	8.6
520.29700	0.5
520.37140	0.7
717.41821	100.0
718.42078	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05517	5.7
56.05029	3.8
57.07069	3.7
60.04510	2.9
67.05163	1.2
67.05500	12.3
68.05027	1.8
69.03428	0.9
69.07070	9.9
69.89370	5.2
70.06593	1.6
71.08622	1.1
72.04514	1.1
77.40057	0.8
79.05486	11.1
80.04999	3.0
81.05775	1.5
81.07061	11.5
82.06581	7.1
83.08611	5.1
83.10178	1.0
84.08174	0.9
85.02904	2.6
85.10162	1.1
86.75874	1.0
89.86712	0.8
91.05470	7.4
93.05792	1.3
93.07049	8.6
94.06007	1.4
94.06566	18.2
95.07354	7.3
95.07884	1.0
95.08090	0.9
95.08614	9.8
96.05564	0.9
96.08145	5.1
97.02871	1.5
97.06533	0.9
97.10168	2.6
105.07026	5.6
107.08602	5.5
108.08119	3.3
109.10138	3.5
119.08561	5.6
120.36879	1.4
121.10132	6.4
122.09673	3.4
123.11694	1.2
133.10127	3.7
135.11700	2.3
147.11656	1.4
149.13210	1.2
161.13177	1.2
163.14894	1.2
166.29445	0.9
187.20573	0.9
193.24661	1.0
199.14548	1.3
229.53665	1.0
233.22664	3.8
245.22639	4.4
250.25325	8.7
262.25311	100.0
263.25620	2.9
272.25696	5.0
280.26285	7.4
312.25336	1.1
496.09738	1.1
504.47574	4.0
516.47754	29.2
518.49402	5.5
534.48724	18.8
535.48767	1.2
696.53729	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53201	0.7
53.03957	4.0
55.01876	5.6
55.05510	17.3
57.03173	1.4
57.03439	14.9
57.07060	2.5
59.05014	1.1
59.05354	0.8
61.02922	2.4
65.03929	3.1
67.05506	61.4
69.07068	15.1
69.45969	2.3
69.46397	4.3
71.01350	2.0
71.04994	3.2
73.02924	1.6
79.05493	49.5
81.03423	2.9
81.07060	43.5
83.04984	13.7
83.08624	7.3
85.02897	3.1
85.06539	3.0
86.09695	0.9
87.86172	0.7
91.03964	1.3
91.05481	25.6
93.07047	62.3
95.04976	5.9
95.08611	33.5
95.09229	1.5
97.02874	2.5
97.06537	10.0
97.10159	7.1
98.21517	1.4
98.33907	0.8
99.04459	1.0
99.08071	1.4
105.04482	1.4
105.07028	13.3
107.04961	1.3
107.08598	41.2
109.06532	2.0
109.10155	13.8
111.08085	3.3
112.42372	0.9
117.07024	6.1
119.08581	13.6
121.06493	1.4
121.10151	18.2
121.81104	1.0
123.08054	1.1
123.11696	3.5
125.09608	1.8
128.19978	0.9
129.06972	1.3
131.08586	7.1
133.10133	8.7
135.08112	1.1
135.11699	43.8
137.09644	1.2
137.13264	1.8
143.08574	1.4
145.10126	12.0
147.11682	5.3
149.13271	3.5
151.11221	1.0
153.12730	6.4
159.11710	3.9
161.13272	4.3
163.11154	4.0
163.14751	2.0
173.13261	3.0
175.14915	1.4
181.12234	11.3
184.07335	1.5
187.14856	1.8
199.13371	2.1
203.28809	0.8
233.22533	0.9
243.21127	3.6
253.14169	1.4
255.15919	61.2
258.12216	0.9
261.22153	13.1
317.24783	3.0
335.25800	64.3
336.25986	1.8
423.32480	2.7
437.84003	0.9
497.36432	0.9
515.37323	100.0
516.37683	4.5
533.38141	2.7
593.43286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15163	0.6
55.05500	0.9
57.03426	0.7
61.02930	1.4
67.05496	1.0
68.52118	0.7
69.07057	0.7
71.61575	1.1
73.02903	0.8
79.05482	1.9
81.03415	1.0
81.07056	1.2
83.08637	0.7
85.02901	1.6
91.03964	0.8
93.07059	0.8
95.04960	1.1
95.08608	1.2
97.02903	1.5
105.07021	0.8
107.04999	0.9
112.63683	0.6
127.03968	0.7
145.10130	0.7
163.11188	0.8
234.09355	0.7
282.30630	0.7
306.99573	0.7
324.47546	0.7
417.93759	0.7
467.18982	2.9
485.19376	1.6
581.29779	1.0
693.30756	2.1
711.30200	100.0
712.30090	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91053	0.4
53.03937	0.6
54.80417	0.5
55.05518	1.8
57.03431	1.4
59.04989	0.6
61.02929	4.6
67.05506	4.4
69.03423	3.4
69.07077	0.9
71.05006	2.6
73.02908	3.6
81.03426	4.6
81.07050	4.6
83.04996	2.1
83.08642	1.1
85.02901	5.9
87.08652	0.5
91.03948	2.7
91.05487	4.8
93.07054	3.2
95.04997	2.0
95.08640	1.9
97.02898	3.7
97.06542	1.0
98.04002	0.5
99.04467	0.9
101.02422	1.6
101.48640	0.5
105.07035	3.2
107.04972	1.4
107.08640	2.3
109.02879	0.9
109.06548	1.2
109.10182	1.0
111.08109	0.7
117.07015	1.0
119.08581	2.8
121.10188	2.5
123.08146	0.8
127.03964	1.4
129.07031	1.0
131.08617	2.0
133.10118	2.8
135.08089	0.6
145.05034	0.7
145.10207	0.9
147.11732	1.9
149.09662	2.5
151.07564	0.6
157.10185	1.9
161.09605	0.5
163.11209	1.7
165.09169	0.8
175.11256	1.1
178.08736	0.8
193.12297	1.5
198.86992	0.6
203.81631	0.6
233.11417	0.9
234.86578	0.5
243.08533	2.2
267.15973	0.7
270.13855	0.5
283.15143	3.0
328.10272	0.6
354.19229	0.5
375.61887	0.6
451.19418	6.5
467.19061	1.9
501.23105	7.5
531.41785	0.9
639.29816	4.7
665.31323	1.3
711.35645	100.0
712.36261	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97909	2.4
53.03939	10.6
55.01867	8.7
55.05514	33.4
56.96565	3.5
57.03439	19.1
57.07076	4.2
61.02917	4.3
65.22386	2.2
66.29176	2.5
67.05167	4.1
67.05507	82.2
69.03432	16.9
69.07069	19.3
69.54203	19.1
71.04981	11.2
73.02903	3.7
79.05497	62.4
81.03426	100.0
81.07062	78.5
83.04987	39.3
83.08627	26.5
85.02910	20.1
85.06550	3.2
87.04414	2.7
91.05479	51.5
93.07044	50.4
95.04977	28.2
95.08614	51.6
97.02900	18.2
97.06528	10.3
97.10172	9.6
99.04456	7.8
99.08107	2.8
105.07033	41.1
105.07684	4.7
107.04948	8.4
107.08585	34.5
109.02866	9.4
109.06529	5.3
109.10155	25.4
111.04461	17.0
111.08077	11.3
113.06062	3.7
115.05479	3.0
117.07014	15.9
119.08591	29.0
121.06535	4.1
121.10141	32.7
123.04441	3.2
123.08080	3.8
123.11700	10.1
127.03930	9.4
129.05479	11.9
129.06998	11.7
131.08578	30.8
133.06519	6.6
133.10143	21.7
135.08043	5.2
135.11688	16.6
138.83444	2.5
143.08549	8.9
145.10110	17.3
147.08040	4.8
147.11711	23.6
149.09616	10.6
149.13287	4.8
151.07466	2.8
153.12711	4.8
155.08571	4.9
157.10098	13.2
159.11673	11.3
161.05948	3.2
161.13210	7.7
163.03938	13.4
163.11186	8.9
165.12700	3.0
169.10080	4.8
171.08109	2.7
171.11546	3.2
173.09674	3.3
173.13252	7.8
175.11229	11.3
175.14786	4.6
181.12216	8.0
183.11658	4.0
185.09654	4.0
185.13245	4.5
187.03943	3.3
187.14825	7.0
191.10645	9.9
193.12239	33.0
199.03889	2.7
199.11327	3.6
201.05499	3.0
211.13284	42.0
227.12743	18.5
229.14275	3.5
238.69986	3.1
243.08640	4.1
243.21143	2.9
249.14818	3.1
261.22205	8.7
267.09067	7.6
267.16043	14.1
275.19821	2.6
283.15231	5.8
285.10205	16.1
285.16965	21.3
324.11459	14.0
324.61563	6.7
327.40848	2.8
335.25772	23.4
337.14365	3.6
337.27286	11.0
355.15692	8.6
369.24344	5.8
387.25375	5.8
405.26288	3.6
408.25006	2.7
429.19736	11.0
443.27844	4.0
461.29224	5.2
463.22650	5.8
527.37134	8.7
545.38422	27.9
563.39545	4.6
653.40350	4.0
679.41895	6.6
689.42200	16.3
707.42023	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	707.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.2
55.01869	9.0
55.05511	36.0
56.96553	3.3
57.03431	14.0
57.07066	4.8
61.02921	2.8
65.03936	6.0
67.05168	4.7
67.05505	78.6
68.05827	3.4
69.03433	18.9
69.07068	24.0
69.36590	7.3
69.37012	14.9
71.04982	8.7
73.02923	5.0
79.05057	3.2
79.05495	55.2
81.03416	100.0
81.07056	84.1
83.04981	40.1
83.08618	26.4
85.02907	15.7
85.06540	4.2
91.04958	4.1
91.05482	54.6
93.07044	70.6
95.04972	31.3
95.08605	61.0
97.02901	21.1
97.06507	5.9
97.10144	8.6
98.21456	4.2
99.04450	5.6
99.08079	2.7
101.02366	2.8
105.07028	36.9
107.04949	6.3
107.08598	36.9
109.02869	10.0
109.06510	8.2
109.10144	30.8
111.04430	19.3
111.08086	12.2
113.06015	2.4
115.05386	2.9
117.06998	11.2
119.08578	38.8
120.08817	2.1
121.06475	4.1
121.10140	35.2
123.08038	5.1
123.11696	8.3
125.09612	3.2
127.03913	12.3
129.05493	15.0
129.07004	12.4
131.08568	26.8
133.06470	3.9
133.10121	20.7
135.08095	2.1
135.11685	19.6
137.09496	3.3
137.13240	3.5
142.07762	3.9
143.08495	6.9
145.10104	22.5
147.04427	2.7
147.08038	5.1
147.11674	26.9
149.09602	8.7
149.13240	9.6
153.12726	6.7
155.08514	5.6
157.06416	3.1
157.10197	14.7
159.04445	5.3
159.11678	10.3
161.02444	2.8
161.13246	5.6
163.03871	13.2
163.11156	8.8
163.14804	4.4
165.05481	3.1
165.12743	6.9
169.10107	5.5
171.11714	4.6
173.02322	5.7
173.05997	7.2
173.09579	3.4
173.13210	6.4
175.11205	13.5
175.14938	3.4
177.12698	3.5
179.14282	2.9
181.06522	2.2
181.12181	6.5
183.06602	2.4
184.07460	2.7
185.06006	3.9
185.13260	3.4
187.03857	9.2
187.14845	3.8
189.05403	2.6
191.10678	8.5
193.12236	41.6
197.13133	3.3
199.03868	4.3
201.05467	4.0
211.07718	3.8
211.13278	63.3
213.05473	6.4
221.15190	2.7
227.12743	14.0
229.14285	5.9
243.21057	2.7
259.20609	2.7
261.22021	14.8
267.09030	10.1
267.13525	5.2
267.15936	8.6
283.15436	6.4
285.10150	15.1
285.16925	17.1
301.21185	3.0
311.12650	5.6
323.16837	2.5
324.11499	4.7
333.23962	3.2
335.25772	44.4
337.13779	3.0
337.27200	6.6
355.14960	12.3
357.16843	2.7
369.24338	6.2
387.25516	3.0
411.18658	2.5
429.19968	14.7
438.39777	2.7
443.27808	4.3
461.29010	4.3
463.22665	5.3
479.29840	5.7
527.37103	6.2
543.36163	3.0
545.38263	35.6
615.36920	4.2
633.37915	3.9
653.40588	3.7
671.40814	8.5
679.41150	5.7
689.41980	24.6
707.41809	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.2
52.55969	1.9
53.03933	7.4
55.01861	5.2
55.05508	25.1
57.03440	9.6
57.06857	1.7
57.07077	18.0
61.95442	1.7
65.03930	5.9
67.05506	55.9
67.82706	1.7
69.03437	12.6
69.07067	15.9
69.98099	2.0
71.04979	7.9
71.61123	2.6
73.02910	2.0
79.05490	40.8
81.03419	63.1
81.07057	56.5
83.04984	24.7
83.08614	19.3
85.02898	11.9
85.06544	2.0
87.04468	100.0
88.04798	7.8
89.06020	2.5
91.05482	45.1
93.07046	42.5
95.04976	22.1
95.08607	35.1
97.02896	13.4
97.06524	7.4
97.10155	5.2
99.04453	4.6
99.08100	3.7
103.05461	1.9
105.06379	2.5
105.07036	30.0
107.04958	7.4
107.08590	23.1
109.02879	6.6
109.06497	6.0
109.10160	16.9
111.04427	11.6
111.08066	11.2
115.05448	2.4
117.07038	11.6
119.08588	29.6
121.06527	8.1
121.10138	19.9
123.04436	2.2
123.08078	3.9
123.11699	7.0
125.09608	3.2
127.03903	5.8
129.05443	6.0
129.07025	11.7
131.04915	3.2
131.07063	3.3
131.08582	18.1
133.06505	3.6
133.08562	2.1
133.10129	20.9
135.04385	1.8
135.08040	4.4
135.11656	11.0
137.09612	2.8
141.06972	2.2
142.07817	1.8
143.08553	4.8
145.10172	13.8
147.08047	6.4
147.11707	18.6
149.09602	3.9
149.13266	4.8
151.07413	1.7
153.12730	5.3
155.08537	2.9
157.10132	10.7
159.08064	1.9
159.11696	9.3
161.13310	3.1
163.03917	7.5
163.11179	7.7
163.14828	2.5
165.12708	4.1
169.10136	3.9
171.08032	2.6
171.11697	2.6
173.13303	6.1
175.11209	10.1
175.14949	1.6
177.12823	2.4
181.12262	4.6
183.11707	3.2
184.07326	2.3
185.13283	4.6
187.11177	2.3
187.14857	3.4
191.10623	6.0
193.10555	2.9
193.12227	22.3
193.34879	2.3
199.14885	2.4
211.11279	2.8
211.13286	37.9
213.05450	3.0
217.15854	1.7
219.12312	3.3
227.12758	7.7
232.18379	1.9
233.13161	1.8
233.18912	2.2
243.21063	2.3
249.76540	1.6
259.20654	1.8
261.22263	8.8
261.24493	1.7
263.23755	1.8
267.15955	12.4
275.23624	1.7
277.21613	6.1
278.21967	3.2
283.15329	2.0
285.16989	15.3
303.23251	2.6
335.25775	17.0
337.14133	3.3
337.27368	8.6
345.23822	1.8
351.22931	2.0
355.16196	1.7
369.24200	4.7
387.25293	3.7
423.02615	1.9
427.19522	3.2
429.19907	7.5
461.28659	3.0
527.37115	8.8
535.31274	2.0
545.30377	2.1
545.38336	22.4
649.38062	2.1
653.40112	5.1
661.40973	2.8
671.40698	5.3
689.41479	15.0
707.41577	9.8
707.48450	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	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.0
53.20060	2.4
55.01876	11.2
55.05512	38.9
57.03443	13.2
57.07040	3.4
65.03945	6.0
67.05506	80.8
69.03429	23.6
69.07066	22.0
69.84996	12.6
71.04990	10.5
78.47823	2.6
79.05497	65.0
81.03423	100.0
81.07058	82.6
83.04982	44.1
83.08624	21.3
85.02889	19.5
85.06565	3.6
87.68167	3.1
91.05489	50.4
93.07047	62.5
95.04973	33.1
95.08607	58.1
96.08972	2.6
97.02893	28.7
97.06535	9.1
97.10175	9.5
99.04450	7.4
103.03940	3.2
105.07033	44.3
107.04977	9.3
107.08598	37.3
109.02889	10.9
109.06488	8.1
109.10177	24.9
111.04436	23.8
111.08084	13.8
113.05959	3.1
115.05431	5.3
116.06279	2.7
117.07045	17.4
119.08576	30.2
121.06506	7.1
121.10139	26.6
123.08073	5.7
123.11717	12.3
125.09621	3.2
127.03922	9.4
129.05513	13.4
129.07016	16.9
130.05074	2.7
131.04877	3.6
131.08565	27.4
133.06511	6.3
133.10132	14.7
135.04494	3.4
135.11678	16.9
137.09644	3.6
137.13226	3.9
141.06932	4.1
142.07802	3.4
143.08568	7.2
145.10132	18.6
146.04794	2.7
147.08075	4.6
147.11693	21.8
149.06055	2.9
149.09593	6.2
149.13269	5.8
153.12762	5.8
155.08548	4.7
157.10107	15.5
159.11725	12.0
161.13306	7.2
163.03893	5.4
163.11191	11.0
163.14906	6.6
165.12758	5.2
169.10123	3.0
171.11713	6.5
173.09644	3.3
173.13324	7.4
175.11200	14.7
179.14410	2.8
181.12201	5.9
183.11751	3.0
184.07394	2.8
187.11201	3.3
187.14764	3.1
191.10675	9.1
193.12245	44.5
211.13274	62.8
220.40814	2.8
227.12749	14.8
229.14412	5.0
249.14917	3.2
261.22144	8.4
267.15958	12.1
276.19922	3.1
283.15463	6.8
285.17075	20.1
317.25101	3.0
333.24219	2.7
335.25812	34.7
337.27359	10.4
351.23080	3.9
369.24316	8.0
374.18716	3.1
387.25314	4.4
427.19846	3.9
429.20596	10.2
461.28519	3.6
507.27643	3.0
527.37073	4.8
545.38348	40.1
671.41199	3.5
689.42212	20.9
707.41937	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	4.3
53.03948	5.2
53.40879	3.5
55.01863	8.3
55.05518	20.0
57.03437	8.7
61.02921	12.5
65.03957	4.4
67.05502	49.7
69.03410	17.5
69.07051	13.7
70.22011	17.5
71.04990	8.8
73.02917	4.3
73.03307	3.8
79.05484	37.2
81.03424	48.3
81.07059	47.2
83.04972	11.2
83.08610	13.8
85.02919	21.6
91.05477	44.0
93.07045	39.5
95.04977	18.3
95.08600	29.6
97.02867	18.4
97.06476	5.0
97.10176	10.9
98.21385	4.8
99.04462	4.2
105.07034	43.2
107.08598	26.0
109.02908	4.1
109.06480	4.6
109.10155	18.1
111.04462	4.7
111.08063	6.0
112.07567	5.1
115.05444	4.1
117.06997	8.3
119.08549	27.0
121.06476	4.9
121.10133	17.7
123.11665	8.0
125.09638	7.8
127.03867	3.6
129.06985	13.2
131.08554	24.2
133.10126	19.3
135.08096	3.8
135.11694	9.8
137.13142	3.6
143.08559	11.6
145.10126	21.7
147.11664	18.0
149.13237	5.4
155.08499	5.2
157.10091	14.5
159.08008	4.4
159.11682	16.6
161.13274	9.2
163.11156	5.5
167.08606	6.6
169.10092	9.8
171.08195	4.7
171.11771	6.1
173.04568	4.8
173.09589	6.4
173.13237	7.3
175.11133	5.1
175.14671	7.1
181.10081	5.6
183.11655	10.9
185.09628	6.0
185.13289	9.9
193.12244	12.0
195.11769	6.2
199.14845	4.6
207.11644	4.8
211.13293	12.8
213.16383	4.2
214.35730	4.7
241.19534	5.9
259.20584	12.5
333.24310	12.4
351.23776	5.7
404.41196	4.9
425.01822	4.1
451.32056	9.6
461.29486	4.1
525.35492	20.5
543.36810	100.0
544.36615	5.5
567.36945	4.5
651.38263	5.1
669.39740	9.9
687.39746	14.8
705.34772	14.1
705.40009	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	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.5
53.03939	3.6
55.01866	4.4
55.05508	15.9
57.03439	11.4
59.04997	2.9
59.35046	1.0
61.02930	3.6
67.05502	22.3
69.03444	7.4
69.07065	6.1
70.02616	4.5
71.01373	1.5
71.04987	5.1
73.02892	2.7
79.05494	18.8
81.03419	43.5
81.03905	2.2
81.07059	25.4
83.04985	12.8
83.08620	21.5
85.02907	23.3
85.06543	3.1
91.03933	1.9
91.05482	33.7
93.07050	16.1
95.04964	17.5
95.08619	9.8
97.02903	7.3
97.06543	6.7
97.10173	3.1
97.47531	1.0
97.72060	1.2
99.00822	13.4
99.04499	1.8
105.06363	1.9
105.07035	22.6
105.07725	0.8
107.04944	7.6
107.08593	13.9
109.02872	6.8
109.06525	5.2
109.10170	6.6
111.04402	3.0
111.08059	8.8
113.06026	1.4
115.03922	2.6
115.05445	1.7
117.07003	3.6
119.08575	18.3
121.06498	5.0
121.10126	6.2
123.04423	1.2
123.08097	2.6
123.11726	2.4
125.09662	2.2
125.51287	1.2
127.03890	2.2
128.06187	1.6
129.07002	7.4
131.08574	7.8
133.06476	3.1
133.10124	30.6
135.08022	1.5
135.11688	3.6
137.05901	1.6
137.09605	2.6
139.07509	2.3
142.07825	2.0
143.08568	5.2
145.10107	4.6
147.08044	2.5
147.11678	7.6
148.13754	1.3
149.09608	4.1
151.11179	8.8
153.12796	1.3
157.10121	8.9
161.09630	15.7
161.13217	1.2
163.11205	4.6
165.09093	2.1
165.12743	2.0
171.08092	3.7
175.11201	10.7
179.10687	5.6
189.09087	8.4
191.10654	1.2
192.92210	1.2
193.12244	28.2
197.11688	1.5
207.10178	3.3
209.11719	2.7
211.13289	45.4
225.11250	6.6
228.39459	1.2
243.12283	2.4
264.69476	1.2
267.15903	20.3
281.13895	3.2
283.15375	6.4
285.14517	0.7
285.16953	42.0
299.14890	60.0
301.16513	2.1
399.10825	2.1
473.25342	3.0
477.28644	1.2
486.46347	1.3
491.26334	16.5
509.27493	100.0
510.27774	2.9
519.70789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05038	0.6
57.07076	0.3
57.51133	0.1
58.06621	0.4
59.07385	0.1
60.08163	6.3
63.67171	0.1
67.05494	0.3
69.45193	0.6
69.45600	0.3
70.06607	0.1
71.07373	3.7
79.05492	0.2
81.03419	0.2
81.07047	0.3
83.08654	0.1
86.09706	30.9
87.04465	0.9
87.10009	0.2
91.05479	0.3
93.07034	0.3
95.08603	0.2
98.98467	3.1
104.10741	2.3
105.07033	0.2
107.08585	0.1
123.11695	0.1
125.00004	22.1
143.01100	0.1
184.07339	100.0
185.07701	0.5
205.65128	0.1
226.64709	0.1
367.00806	0.1
473.56326	0.1
496.34381	0.2
706.46704	5.6
707.47546	0.2
728.15167	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01853	4.3
55.05507	16.8
57.02975	1.5
57.03436	6.5
57.07058	2.3
61.02924	9.7
65.03944	2.0
67.05504	29.8
69.03424	10.6
69.07072	7.8
71.05011	3.1
73.02909	6.9
79.05489	20.8
81.03413	20.3
81.07050	24.5
83.04986	8.5
83.08610	7.7
85.02901	13.3
85.06524	1.8
91.03930	3.1
91.05476	26.2
91.06013	2.7
93.07053	19.3
95.04966	10.7
95.08617	13.6
97.02885	8.7
97.06520	2.2
97.10165	7.1
99.04443	3.3
101.02401	1.9
103.05484	2.1
105.07019	19.8
107.04958	4.5
107.08588	10.7
109.02840	2.3
109.06512	3.5
109.10186	9.8
111.04433	3.2
111.08092	3.3
115.05444	1.6
117.07033	10.2
119.08587	14.8
121.06508	3.1
121.10137	7.2
123.11768	1.5
125.09624	5.0
127.03918	4.3
128.06212	1.8
129.07018	9.7
131.08578	15.9
133.06454	2.1
133.10132	10.3
135.08078	1.9
135.11705	6.0
141.06943	2.8
142.07742	2.2
143.08533	9.9
145.06580	2.5
145.10123	12.6
147.08087	1.9
147.11690	8.8
149.09637	1.9
151.11108	1.8
153.06993	1.4
155.08578	5.5
157.10139	9.5
159.08034	2.7
159.11687	11.0
161.13237	3.7
163.11200	3.8
165.12701	1.6
167.08627	3.2
169.10115	5.9
171.08018	1.8
171.11665	10.5
173.04480	1.7
173.09668	2.3
173.13214	4.9
175.11154	3.5
177.12634	1.6
181.10133	3.5
183.11627	6.7
184.07352	1.4
185.13274	7.8
187.11163	2.3
187.13274	2.1
187.14784	2.4
189.11183	2.0
193.10353	1.5
193.12268	5.5
195.11679	1.6
197.09666	2.2
197.13231	4.2
199.14818	2.1
201.16225	1.5
207.11775	1.9
211.13303	4.6
213.12805	2.2
222.74071	1.4
223.14830	2.2
227.12747	4.6
241.19394	2.6
259.20493	5.9
267.15927	3.0
275.20566	1.4
283.20505	3.6
285.17047	2.4
299.23663	3.1
327.23022	1.7
333.24173	4.0
339.23099	2.2
363.73584	1.7
371.26129	2.3
415.30234	1.7
417.26544	1.7
421.26001	2.8
433.30954	2.7
435.27634	1.8
442.81863	1.8
451.32172	10.4
469.33005	1.6
521.29028	1.8
525.35736	19.4
541.35327	2.5
543.36804	100.0
544.37231	3.8
585.37994	2.3
615.80255	1.7
651.38770	2.7
661.68506	1.6
669.39697	5.8
687.40076	5.4
705.31140	18.6
705.43536	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.6
53.03954	13.0
55.01868	14.2
55.05515	42.6
57.03450	13.3
57.07080	4.0
59.04988	3.2
60.08148	3.3
61.02929	4.2
65.03929	2.4
67.05159	4.3
67.05505	73.8
69.03436	31.9
69.07067	21.5
71.04977	11.5
71.61355	2.3
71.61784	3.6
73.02916	2.8
77.02523	2.3
79.05492	57.7
81.03420	100.0
81.03905	4.8
81.07059	64.1
81.70295	2.5
83.04980	32.1
83.08612	18.9
85.02883	10.2
85.06538	4.5
86.09703	11.2
87.04462	2.5
91.04942	4.2
91.05480	42.4
93.07047	51.5
95.04983	12.6
95.08606	47.6
97.02901	23.5
97.06537	10.7
97.10174	22.8
99.04438	12.6
99.17937	2.2
105.07041	33.1
107.04984	5.7
107.08597	40.4
109.02881	20.1
109.06586	4.8
109.10161	22.1
111.04446	29.0
111.08092	13.1
113.28817	2.5
117.07014	19.7
119.08591	34.0
121.06525	3.7
121.10134	23.8
123.04473	3.1
123.08076	5.3
123.11672	4.8
124.99989	8.1
125.06021	2.6
125.09622	19.3
127.03905	17.5
128.06216	3.0
129.05505	4.3
129.07001	14.5
131.08560	26.1
133.06464	3.6
133.10135	17.7
135.08081	4.9
135.11700	25.7
137.09619	3.9
139.11247	2.8
141.06960	6.2
143.08578	14.0
145.06462	5.1
145.10127	30.4
147.08096	4.7
147.11682	18.5
149.09616	4.4
149.13239	6.5
153.09085	3.8
153.12790	15.4
155.08577	7.8
157.10124	11.9
159.08038	4.2
159.11682	14.4
161.09595	2.7
161.13269	8.7
163.11201	22.8
165.12776	2.8
168.09267	2.3
169.10103	8.7
171.08215	2.5
171.11696	9.0
173.04475	36.9
173.09647	7.4
173.13261	10.7
175.11070	3.3
175.14925	3.3
181.10103	4.4
181.12238	18.3
183.11684	7.1
184.07359	40.6
185.07726	3.8
185.13260	6.9
187.11111	2.4
187.14856	4.4
189.11214	14.1
191.10681	16.7
193.12300	3.4
195.11659	4.7
197.13280	5.6
199.14853	4.9
207.11696	3.5
209.11623	5.5
209.13408	3.4
211.13231	3.1
215.14232	2.7
227.12776	47.5
227.67708	2.7
230.99339	2.5
259.20535	4.0
261.22147	7.1
267.15845	2.6
277.21854	2.8
283.15329	16.2
297.22009	2.9
299.23721	9.3
301.16315	3.8
317.24817	3.6
335.25839	25.8
341.24725	2.6
353.15958	5.6
369.24185	5.3
405.26065	2.9
409.18857	2.6
427.19528	8.4
433.30936	4.8
451.31885	6.8
469.33456	4.8
487.34116	4.0
515.37048	7.8
525.35828	16.0
543.36749	58.3
561.37738	7.0
669.40314	3.9
687.40991	17.8
705.41492	33.9
714.86670	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82318	2.5
53.03947	14.5
53.74975	2.5
55.01866	16.0
55.05508	38.5
57.03437	14.2
57.07060	2.6
59.04993	3.1
61.02900	2.9
65.03921	3.5
67.05169	4.8
67.05505	74.6
69.03427	37.1
69.07071	21.3
71.04981	11.8
71.08644	2.6
79.05490	53.4
81.03418	100.0
81.07057	61.0
83.01360	2.5
83.04984	29.1
83.08616	15.1
85.02888	11.9
86.09705	8.2
91.05485	50.9
93.07039	64.3
95.04964	13.7
95.08613	42.0
97.02896	31.3
97.06519	10.1
97.10161	16.8
99.04447	15.3
99.08083	3.3
105.07029	36.5
107.04948	6.0
107.08589	36.0
109.02879	26.5
109.06534	6.8
109.10154	28.0
110.95332	2.4
111.04443	26.9
111.08071	10.8
117.07028	17.7
119.08579	29.3
121.06540	4.7
121.10159	31.4
123.04378	3.7
123.08033	6.0
123.11722	3.3
125.00002	5.0
125.09626	17.5
127.03939	21.6
128.06203	3.7
129.05449	2.9
129.07028	12.6
130.07793	3.5
131.08586	28.8
133.06491	4.1
133.10127	21.5
135.08087	6.0
135.11691	32.9
143.08559	13.4
145.06470	3.5
145.10115	30.9
147.11694	18.2
149.09666	4.5
149.13223	5.4
153.09209	3.5
153.12718	25.7
155.08553	6.9
157.06561	3.3
157.10091	13.1
159.07985	3.9
159.11714	17.5
161.13260	7.8
163.11192	25.6
163.14854	3.1
165.05457	3.8
169.10110	7.3
171.08012	3.0
171.11705	7.1
173.04497	29.9
173.09648	5.5
173.13223	10.8
175.11203	2.6
177.12685	3.1
181.10065	3.7
181.12241	20.5
183.06480	2.9
183.11710	8.4
184.07355	26.7
185.13280	6.3
187.14827	6.3
189.11162	7.5
189.12769	3.1
191.10686	18.2
197.13225	4.4
206.21309	2.7
209.11707	9.1
221.13310	3.8
227.12758	51.8
259.20535	5.3
261.22067	7.9
267.15817	3.0
271.20657	2.7
283.15353	22.0
299.23639	13.0
301.16519	3.1
315.22949	3.1
317.24655	4.3
325.21573	2.8
327.22992	3.3
333.24036	3.1
335.25821	31.1
353.15976	7.9
369.24197	7.1
409.18393	2.6
427.19547	9.6
433.30844	2.9
451.32031	6.2
469.33228	6.9
515.37195	5.6
525.35779	10.2
541.34583	2.8
543.36932	61.3
561.38123	14.9
605.87769	2.6
687.40961	20.7
705.41425	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	17.4
53.38076	2.8
55.01880	14.4
55.05513	31.0
57.03434	11.8
57.07088	3.4
61.02916	3.9
65.03922	3.2
65.18958	2.7
65.26564	2.4
67.05504	81.4
69.03425	35.0
69.07072	21.7
70.94424	4.3
70.94740	2.5
71.05000	17.0
73.02934	4.0
79.05499	54.6
81.03420	100.0
81.06573	4.2
81.07056	71.0
83.04990	28.7
83.08627	22.5
85.02900	15.4
85.06546	4.1
91.05485	46.4
93.07050	59.5
95.04967	14.3
95.08611	49.1
96.11037	2.7
97.02891	27.5
97.06538	12.3
97.10168	20.5
99.04461	12.6
105.07036	36.3
107.04961	10.8
107.08601	37.8
109.02864	22.9
109.06527	10.7
109.10168	27.9
111.04459	31.3
111.08076	13.0
113.78320	2.7
117.07035	22.6
119.08577	28.0
121.06502	6.5
121.10146	26.9
123.08051	4.0
123.11713	5.5
125.09618	15.6
127.03935	21.7
129.05473	7.6
129.07016	13.8
131.08565	30.6
133.10124	22.5
135.08017	4.4
135.11679	25.6
137.09602	3.0
141.06970	4.1
142.63432	2.4
143.08609	12.0
145.06468	3.9
145.10135	28.8
147.08038	4.6
147.11690	16.0
149.09602	8.3
149.13338	6.1
153.09084	4.8
153.12743	18.8
155.08549	8.0
157.06509	3.0
157.10159	9.0
158.18288	2.8
159.11697	11.3
161.13210	6.4
163.11172	21.3
167.08603	4.2
169.10164	7.2
171.10390	2.6
171.11710	7.0
173.04449	32.3
173.09622	6.8
173.13289	9.0
175.11266	3.9
181.10117	4.6
181.12222	20.2
183.11679	6.3
184.07301	5.1
185.13239	7.4
187.14888	4.8
189.11259	7.7
191.10658	19.4
193.12189	5.6
195.11739	3.8
197.13298	5.6
199.14931	4.5
209.11650	7.1
209.13422	3.7
223.14824	3.1
227.12773	44.5
227.14876	3.4
239.14185	4.2
245.13872	3.3
259.20657	4.3
261.22308	7.3
283.15448	22.5
299.23770	9.1
301.16577	3.7
301.21661	4.3
315.11676	3.5
315.61893	2.8
316.56696	2.7
317.24750	6.0
323.10699	5.0
323.61057	3.0
327.22903	2.6
333.24612	3.1
335.25864	27.3
341.20313	2.8
351.23071	3.9
353.15988	3.8
369.24225	6.3
427.19888	14.0
451.31979	4.3
461.29413	3.0
462.21774	5.4
469.33719	5.2
487.34100	5.4
501.35605	3.0
515.37250	7.7
525.35962	16.9
543.29193	4.5
543.36798	52.9
544.37109	3.0
561.37659	7.7
596.44672	3.0
607.43536	3.0
613.36841	2.7
651.38544	4.6
687.40784	15.8
705.41840	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	705.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85469	1.0
72.17664	0.9
89.37357	1.0
91.29630	0.9
97.60626	1.0
543.13220	31.5
705.18542	100.0
706.19196	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	705.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53838	0.7
60.21539	0.7
61.94422	0.6
68.73112	0.8
70.32856	2.7
140.54895	0.6
174.89597	1.6
194.42572	0.7
212.85236	8.0
214.85023	3.3
226.86673	1.7
250.80733	1.5
268.98080	0.9
270.45468	0.9
368.73163	1.1
452.72675	1.0
490.67487	1.2
508.68616	2.3
543.13239	31.1
543.21533	1.6
544.13287	0.9
570.64325	2.0
579.79614	0.8
609.91785	0.8
705.18506	100.0
706.18427	3.7
717.61676	0.7
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
53.03945	14.0
53.07940	1.9
55.01878	12.2
55.05512	31.3
57.03436	12.7
57.07067	3.6
57.59731	2.4
61.02932	4.7
65.03945	5.9
66.53905	1.9
67.05507	75.7
69.03434	31.2
69.07071	20.0
70.44581	2.5
71.01343	2.3
71.04985	12.3
71.61938	2.7
73.02926	3.2
73.87847	2.1
79.05498	61.9
79.43407	2.3
81.03419	100.0
81.07060	70.2
83.01346	2.6
83.04980	29.8
83.08627	14.7
84.32145	2.1
85.02909	14.2
85.06542	3.9
88.56464	2.2
91.05484	50.7
93.07048	60.4
95.04963	13.2
95.08614	48.0
97.02887	35.0
97.06527	11.1
97.10170	21.0
99.04428	13.3
99.08109	2.3
103.05525	2.4
104.75766	2.0
105.07037	34.9
107.04960	9.0
107.08598	42.0
109.02883	26.7
109.06539	3.9
109.10153	20.1
111.04446	32.4
111.08076	11.6
113.86315	2.0
115.05487	2.1
117.07008	19.9
119.08584	34.6
121.06538	3.5
121.10146	24.9
123.08074	6.1
123.11703	4.8
125.09615	13.7
127.03927	21.3
129.05487	3.3
129.06989	10.4
130.07802	2.1
131.08583	26.6
133.06465	3.8
133.10120	19.4
135.08086	6.3
135.11684	23.2
137.09595	3.0
137.13293	3.4
141.06990	2.5
143.08559	9.9
145.06432	3.9
145.10126	32.1
147.08084	4.7
147.11723	13.8
149.09657	6.8
149.13297	8.5
151.11179	2.6
153.09190	2.5
153.12753	21.2
155.08572	8.0
156.92645	2.2
157.10167	9.5
159.11693	14.0
161.09656	3.0
161.13301	10.9
163.11192	27.0
169.10091	5.9
171.11742	7.7
173.04478	31.6
173.09671	7.1
173.13306	11.0
175.14845	3.6
181.10199	2.9
181.10585	3.1
181.12247	23.2
183.11713	6.0
184.07405	4.6
185.13306	6.8
187.14828	5.0
189.11269	9.3
191.10680	20.8
193.10112	2.6
195.11772	3.6
195.13631	1.9
197.13231	3.5
199.14854	3.4
201.12825	2.4
201.16528	3.0
207.11780	2.5
209.11761	9.1
217.15857	2.4
227.12794	44.6
259.20541	3.5
261.22150	8.8
277.21667	2.5
283.08679	2.7
283.15448	22.2
299.23734	9.2
301.16635	3.7
312.16934	2.3
315.23190	2.7
317.24805	4.3
323.60812	2.7
333.24619	2.9
335.25867	31.4
353.15973	7.2
369.24258	7.7
427.19644	9.9
443.28513	2.8
455.23422	2.5
462.21851	6.8
469.33154	6.1
487.34558	3.0
513.60962	2.7
515.37128	6.6
525.36163	10.8
543.36865	48.7
561.37799	11.6
563.28979	2.6
651.38959	2.7
669.39795	4.2
678.41156	2.3
687.41113	19.1
705.41919	35.4
711.50653	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	704.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32055	0.1
56.05036	0.8
57.07071	0.2
58.06620	0.4
60.08163	6.7
67.05502	0.2
69.45129	0.8
71.07374	3.6
79.05480	0.2
81.07047	0.2
86.09704	32.6
87.10032	0.2
89.06009	0.1
95.08589	0.2
98.98463	3.6
103.63121	0.1
104.10742	2.3
114.00162	0.1
119.08598	0.1
125.00002	21.7
143.01031	0.2
168.73332	0.1
184.07335	100.0
185.07698	0.7
304.58151	0.1
496.33914	0.2
575.50299	0.2
583.22333	0.1
704.44983	4.9
705.44977	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01872	6.3
55.05516	28.9
57.03456	10.6
57.07150	2.1
61.02930	10.7
65.03933	1.8
65.60143	2.2
67.05507	35.6
68.13705	2.0
69.03425	16.0
69.07064	10.5
69.83579	11.3
71.01373	2.4
71.04972	6.3
73.02902	8.3
79.05496	25.3
81.03415	30.6
81.06628	3.4
81.07061	32.0
83.04984	11.0
83.08613	14.8
85.02908	13.8
88.80856	2.0
91.03960	3.3
91.05465	23.4
93.07056	21.5
94.46632	2.3
95.04973	8.9
95.08616	15.6
97.02892	12.4
97.06544	3.9
97.10144	16.7
98.20696	2.3
105.07037	20.3
107.04970	4.7
107.08592	14.7
109.02897	4.3
109.06533	3.8
109.10155	10.4
111.04475	4.0
111.08096	2.1
113.97509	2.0
115.05453	5.9
117.07036	13.0
119.08560	15.6
121.06479	3.1
121.10172	10.0
125.09634	12.5
127.03917	5.5
128.06186	5.0
129.07010	12.2
130.07806	2.9
131.08575	19.3
133.10168	12.1
135.08063	3.3
135.11710	6.1
137.09479	2.2
141.06990	6.4
142.07794	4.2
143.08591	14.2
145.06496	4.4
145.10159	14.4
147.08054	2.6
147.11711	6.3
149.02344	3.8
149.09706	2.7
153.12766	2.5
154.07819	2.4
155.08551	8.8
157.10139	13.8
159.11684	10.8
163.11183	4.3
165.07037	2.9
166.07715	2.5
167.08565	4.5
169.10124	12.0
169.39186	2.2
171.08208	3.6
171.11703	9.4
173.04474	9.2
173.13304	5.8
180.09348	2.6
181.10103	7.0
183.07996	2.7
183.11684	10.0
185.09563	4.8
185.13274	6.0
187.11182	3.4
187.14850	2.4
189.11229	5.7
193.10162	4.4
195.11754	5.5
197.13257	4.5
199.14877	4.3
207.11722	5.0
209.13257	5.0
211.11267	2.9
211.14946	3.2
219.11636	2.7
223.14859	2.4
225.12775	4.3
227.12859	10.7
245.13843	2.4
259.20731	3.4
275.20071	2.8
283.15497	2.2
297.21970	9.6
313.21698	2.5
325.21579	2.8
363.22949	2.4
367.22125	3.1
371.27646	2.4
421.30447	3.0
431.29251	4.5
441.03662	2.3
449.30466	6.2
467.31351	4.7
470.94980	2.6
485.32364	3.2
515.33594	2.8
523.34357	16.8
541.35223	100.0
542.35156	4.7
559.36279	3.7
667.38361	3.8
685.38751	5.6
689.44873	2.2
703.40131	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	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44686	0.6
67.05492	0.8
69.07061	0.7
71.08649	0.6
71.61630	0.9
79.05511	0.9
81.07050	1.7
91.05480	1.1
91.86983	0.5
93.07059	1.2
95.08601	1.1
97.49018	0.6
107.08607	0.7
119.08540	0.9
121.10136	0.6
145.10147	0.7
157.39040	0.6
159.06357	0.6
191.17953	0.6
203.05292	1.7
259.07928	1.5
321.22797	0.8
340.15372	0.6
347.09369	0.9
365.10706	2.2
421.13193	1.6
539.31927	15.8
701.37170	100.0
702.37738	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	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04866	0.2
56.05032	0.8
57.07071	0.5
58.06612	0.4
60.08165	7.2
67.05512	0.5
69.07075	0.2
71.07375	3.6
71.08641	0.3
79.05506	0.4
81.07056	0.6
86.09704	33.7
89.06049	0.7
91.05488	0.2
93.07024	0.4
95.08607	0.5
98.98460	3.5
104.10739	2.7
105.07053	0.3
107.08569	0.2
121.10149	0.2
125.00004	23.1
133.08572	0.4
143.01045	0.3
184.07335	100.0
185.07645	0.5
218.36122	0.2
229.26074	0.3
407.11545	0.2
535.87695	0.3
573.48419	0.6
684.44775	0.3
702.35400	0.3
702.46997	6.5
703.46344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
54.64687	0.6
55.01857	0.9
55.05516	1.0
57.03442	1.9
61.02929	3.8
63.48080	0.6
67.05511	4.4
69.03431	2.1
69.07073	0.8
71.04993	1.8
71.62309	0.9
73.02930	2.8
79.05492	3.8
81.03412	3.6
81.07066	3.1
83.04992	1.2
83.08617	1.1
85.02914	5.5
85.06545	0.8
91.03948	1.7
91.05495	3.0
91.44805	0.7
93.07050	4.3
95.04974	1.5
95.08623	2.5
96.50239	0.7
97.02895	5.0
97.06535	0.7
97.10225	0.8
99.04485	1.0
101.02414	1.1
101.19957	0.7
105.07050	1.4
107.08585	2.6
109.02876	1.0
109.10151	1.9
119.08617	1.7
121.10188	2.2
127.03940	1.2
128.38522	0.6
131.08575	1.5
133.10185	1.6
135.08139	0.7
135.11739	3.2
137.05943	0.8
145.10143	1.3
147.11723	1.2
149.09645	1.0
153.14838	0.6
153.39285	0.7
157.10150	0.9
175.11243	0.8
181.91901	0.7
183.62877	0.7
193.12344	1.8
241.48415	0.8
243.08589	2.2
255.15950	0.7
283.15320	4.0
322.08466	0.8
339.18289	0.9
439.13840	1.4
439.19443	10.1
472.41293	0.8
501.23135	6.5
598.05756	0.8
699.35687	100.0
700.36426	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	700.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01889	0.8
57.03427	0.5
61.02923	0.8
69.03419	1.2
70.11825	1.6
71.04988	0.7
75.90322	0.3
79.05508	0.9
81.03427	0.8
81.07056	0.5
84.93172	0.4
85.02904	5.6
91.05466	1.2
97.02902	2.1
98.20794	0.4
103.05476	0.5
105.07018	0.6
107.04963	2.1
109.02891	0.6
109.10117	0.4
113.05975	0.4
115.05475	1.1
117.06986	0.4
123.04436	0.4
127.03899	1.0
129.07002	2.1
131.04890	0.7
131.08578	2.3
133.06479	0.6
137.05957	1.1
141.06990	3.8
144.05643	1.7
145.04967	1.2
145.06393	0.5
149.05988	0.4
151.03867	0.4
156.05692	0.7
157.06468	1.1
158.07281	1.2
159.08067	3.9
161.05966	1.3
162.07607	1.6
163.03934	0.5
163.06026	0.5
167.07030	4.5
168.05913	0.4
168.07426	0.6
169.06393	1.7
170.07259	1.6
171.08012	0.4
175.07411	0.4
177.05467	0.9
180.08682	1.9
181.04993	1.1
186.06792	2.9
187.07512	3.1
191.06969	0.5
191.08597	0.8
200.08319	1.4
201.09081	2.9
202.07896	0.9
203.08563	1.1
205.06544	1.0
205.08618	2.8
205.10204	0.5
207.08031	0.4
209.09695	0.5
211.07634	0.4
214.06227	0.6
215.07014	3.4
215.08681	0.6
217.08574	1.3
218.07254	0.6
219.08092	2.4
219.10144	0.9
220.08841	1.7
223.11006	0.4
229.08609	6.0
230.07199	0.9
231.08057	3.3
231.10213	1.2
232.08832	1.3
233.06004	0.6
233.09593	1.9
234.06729	0.8
234.10425	0.9
235.07524	0.5
235.11261	0.5
236.08318	0.4
237.09175	0.8
243.08105	0.5
244.08904	0.5
245.09837	1.9
246.06912	0.5
247.07489	3.9
247.09706	8.5
248.08289	4.4
249.09157	1.2
250.06105	0.4
251.07129	0.6
251.10564	0.6
255.10396	0.4
258.06906	0.8
259.07574	1.9
260.08331	1.0
261.05542	0.6
261.09119	2.8
262.05978	0.6
262.09882	2.6
263.06973	0.6
263.07825	0.6
263.10666	4.6
264.07776	0.6
265.08466	1.8
266.09143	0.4
269.08072	0.7
272.08014	0.5
273.05408	0.4
273.09183	1.1
275.07047	3.3
276.07785	4.3
277.08560	2.7
278.05704	0.8
279.06561	0.4
279.10187	1.1
280.10883	0.8
282.08932	0.6
287.06885	0.9
289.08109	0.7
289.11163	1.7
290.06253	0.7
290.09198	2.8
291.10129	8.0
292.07233	1.8
292.10709	1.0
293.08105	4.7
293.11420	0.6
294.08731	0.9
295.09744	0.5
303.06607	0.4
304.07388	1.3
305.08133	2.1
305.11734	1.5
306.08499	0.7
307.05994	0.7
307.09521	2.6
307.12021	2.0
308.10419	4.0
309.11218	0.7
310.08395	1.0
311.09213	0.6
315.08664	2.9
318.08862	1.1
319.09604	3.8
320.10385	0.8
321.07581	3.3
321.11197	1.2
322.08255	1.3
322.11966	1.6
323.12787	4.5
325.10657	1.1
326.11517	0.5
330.10980	3.6
333.11099	0.6
335.09088	1.6
336.09921	3.6
337.10666	5.7
338.07883	1.2
340.13239	0.6
350.11481	1.7
351.12308	9.1
352.13187	2.1
353.10196	6.4
367.11621	0.6
368.07965	0.5
368.12561	9.6
383.14893	100.0
384.15173	1.9
401.16071	1.0
441.73404	0.3
443.17041	24.7
444.17349	0.5
700.22162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.02969	1.6
55.05512	24.0
57.03439	6.4
57.07075	16.4
61.02928	25.8
67.05503	35.1
69.03421	3.8
69.06712	3.1
69.07069	44.9
69.31969	15.0
71.08646	9.5
73.02907	7.2
75.04459	1.5
79.05492	15.7
81.03404	3.7
81.07055	38.9
82.20106	2.0
83.08623	36.1
85.02910	30.2
85.10187	4.8
91.03957	22.0
91.05476	2.7
93.07043	24.1
95.08605	36.7
97.02893	13.1
97.06540	5.6
97.10170	20.6
98.20753	2.6
99.04432	1.9
107.08611	17.3
109.02870	1.9
109.10155	22.4
111.08079	5.8
111.11736	9.3
115.03937	2.4
115.07593	1.7
121.10147	37.4
123.11716	8.3
125.09657	3.4
125.13306	2.1
127.03888	9.7
131.08563	1.8
135.11697	31.3
137.13254	5.5
139.11186	3.7
139.14847	1.6
145.04944	12.1
149.13269	12.7
151.14815	4.9
153.12749	3.0
163.06044	16.0
163.14803	5.0
165.16425	4.2
177.16417	3.6
187.87578	1.7
213.18658	1.6
247.24231	35.7
265.25272	91.9
266.25693	3.5
267.09045	9.4
283.26315	20.6
285.10007	10.7
308.11829	2.4
324.11588	8.4
335.25763	2.1
339.28970	100.0
340.29199	2.1
357.25443	2.7
357.29993	49.8
463.22675	4.5
501.34393	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83154	0.2
59.29020	0.2
66.15224	0.2
66.96784	0.2
69.37231	0.2
70.30241	0.9
76.00440	0.2
95.08613	0.4
97.40964	0.3
124.41793	0.2
142.27272	0.3
158.67830	0.2
185.04311	0.5
259.07993	0.5
301.20163	0.7
319.21240	0.3
347.09604	0.9
537.30359	17.1
538.30823	0.9
662.10132	0.3
699.35608	100.0
700.35956	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	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01865	0.3
55.05501	0.5
55.42496	0.2
57.03440	1.4
61.02925	4.3
66.91466	0.3
67.05503	2.0
69.03436	2.6
69.07066	0.5
71.01319	0.3
71.04983	0.7
71.61205	0.3
73.02917	2.9
79.05493	2.1
81.03414	5.4
81.07056	2.6
83.04977	1.5
83.08620	1.5
85.02905	6.3
87.04473	0.3
91.03967	2.2
91.05486	3.5
93.07042	1.5
95.04963	1.8
95.08604	1.1
97.02900	3.6
97.06548	0.5
97.10158	0.4
99.04482	0.5
101.02359	1.5
105.07024	2.0
107.04954	0.5
107.08595	0.6
109.02879	1.2
109.06528	0.6
111.04465	0.5
111.08106	0.7
115.03990	0.3
115.05434	0.3
119.08586	1.8
121.10155	1.1
123.08070	0.4
127.03910	1.3
129.07031	1.0
130.84668	0.3
131.08574	1.1
133.10110	1.3
137.06071	0.3
147.08043	0.4
147.11716	1.3
149.09636	0.4
157.10092	1.3
165.12746	0.3
175.11220	0.9
185.04247	0.4
193.12221	2.2
211.13356	0.6
221.24530	0.3
232.03137	0.2
243.08406	2.1
251.12506	1.4
278.55316	0.3
307.15189	0.8
469.20444	13.1
535.28955	0.5
697.34015	100.0
698.34088	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05511	19.1
57.03432	7.2
57.07056	9.3
61.02935	25.0
65.03941	2.4
67.05505	81.3
69.03428	3.4
69.07069	31.9
70.29158	4.6
71.04986	2.9
71.08627	9.1
73.02907	12.6
73.36268	2.2
79.05490	21.8
80.08985	2.5
81.03400	2.9
81.07058	90.8
82.54471	2.5
83.04983	4.5
83.08627	24.8
85.02909	36.4
85.06525	3.5
91.03954	29.4
91.05482	18.0
93.07044	28.3
95.04964	3.2
95.08604	82.5
97.02911	12.0
97.06533	8.2
97.10162	13.3
98.20793	2.4
99.08084	5.2
105.07066	14.5
107.08594	16.1
109.10144	44.6
111.08080	4.6
111.11736	3.6
119.08594	12.6
120.58103	2.3
121.10150	28.3
121.47500	2.2
123.11712	22.8
127.03925	12.2
133.10150	15.7
135.11678	15.0
137.13266	8.4
139.11150	3.3
141.12691	4.0
145.04936	14.5
147.11674	15.4
149.13257	12.0
151.14836	5.2
161.13252	14.7
163.06009	19.5
163.14798	7.6
165.16383	8.7
175.14798	11.7
179.17912	7.9
189.16400	6.5
245.22661	72.7
245.25244	3.6
263.23703	100.0
281.24741	2.3
337.27319	70.0
337.31070	4.8
355.28333	12.6
499.32861	3.5
600.28644	2.3
612.70740	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	695.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01866	0.5
55.05498	0.6
57.03439	1.7
57.76071	0.3
61.02930	4.4
67.05508	1.3
69.03433	2.8
69.07052	0.5
69.23651	1.5
69.24076	2.3
71.01361	0.5
71.05000	0.8
73.01516	0.4
73.02924	3.2
79.05492	2.0
81.03416	3.7
81.07066	2.3
83.01362	0.7
83.04977	1.1
83.08623	1.2
85.02905	5.8
91.03937	2.9
91.05498	2.1
93.07072	1.7
95.04972	1.6
95.08620	1.0
97.02893	4.1
98.21494	0.9
99.04462	0.9
101.02381	1.5
105.07044	1.4
107.04981	0.6
107.08619	1.0
109.02881	0.8
109.06517	0.6
111.04465	0.6
111.08064	0.6
114.11620	0.4
117.07022	0.7
119.08593	1.4
121.06512	0.3
121.10166	0.9
123.08082	0.6
127.03921	1.4
129.07028	0.6
131.08572	0.8
133.10155	0.5
135.11719	1.0
145.05023	0.4
145.10120	1.1
147.08031	0.4
147.11626	0.4
157.10208	0.6
163.11197	1.9
173.09653	0.4
175.11214	0.6
185.04294	0.4
193.12276	0.7
200.61644	0.3
208.60121	0.3
209.11757	0.6
211.13351	0.4
243.08513	1.8
249.11028	0.7
251.12669	0.9
283.15515	0.9
285.86649	0.4
312.42117	0.4
340.87134	0.4
467.18872	7.7
469.20435	5.5
517.23364	0.4
546.63263	0.4
644.97986	0.4
695.32458	100.0
696.32764	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	694.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.05509	26.3
57.03447	11.9
57.07076	10.8
60.60743	6.3
67.05508	84.9
69.07076	35.6
71.04996	15.6
71.61500	10.7
74.81651	6.2
76.32318	5.5
79.05498	62.0
81.07066	100.0
83.04998	9.1
83.08630	18.5
85.02923	5.9
86.49407	7.1
91.05479	59.9
93.07053	82.8
95.05013	6.8
95.08611	57.5
95.36449	7.9
97.06537	15.1
105.07027	38.0
107.08569	37.0
109.10162	36.5
117.07035	14.3
119.08572	32.8
121.10118	29.2
123.11656	6.6
125.45284	5.9
129.06972	8.3
131.08586	22.0
133.10120	26.8
135.11693	23.6
145.10101	13.7
147.11722	12.3
148.34021	6.6
149.13274	10.0
159.11713	12.9
161.13335	9.2
177.14493	6.5
200.07422	5.8
213.52669	5.8
227.13016	9.2
229.14359	31.0
232.08557	6.8
257.18997	9.2
261.22089	13.5
269.17453	10.9
275.20059	11.7
307.22937	6.6
335.25787	66.3
419.06693	6.8
489.35699	17.0
498.39044	7.0
529.38977	64.3
569.35168	6.8
569.42242	71.3
596.47339	11.3
609.45044	10.6
694.42938	15.5
695.43054	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	694.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05426	3.8
55.05500	5.6
56.96558	5.2
57.03428	4.2
67.05522	17.1
69.07053	7.7
70.96895	6.8
71.04980	10.4
79.05463	7.2
81.07060	20.1
83.08602	3.7
85.02897	19.9
91.05452	11.8
93.07040	19.9
95.08616	32.0
105.07031	20.6
107.08602	27.1
109.10142	18.2
115.17882	3.7
119.08590	42.9
119.39915	3.9
121.10159	20.8
123.11671	5.7
131.08568	9.5
133.10139	30.8
135.11671	9.1
139.96201	3.3
141.01828	5.5
143.08488	4.3
145.10123	25.6
147.11681	27.5
149.13231	7.7
157.10132	3.6
159.11731	18.6
161.09552	3.6
161.13266	34.3
163.14828	8.6
171.11629	7.0
171.75294	3.8
173.13286	14.8
175.14868	36.7
177.16423	18.0
187.14841	48.3
189.16391	47.2
190.76772	4.0
191.17842	7.0
199.14839	3.7
201.16377	28.8
203.17928	14.0
212.43945	3.2
227.17767	5.9
229.15823	4.9
235.16925	12.7
247.16969	10.0
249.18503	7.9
261.18509	9.4
263.19888	6.8
299.37225	3.6
377.31903	8.5
395.32907	4.0
405.31387	10.5
423.32690	26.0
437.34210	100.0
438.34970	4.4
439.35846	22.0
441.33679	20.0
451.31989	9.8
465.33640	11.3
467.14059	3.7
483.34674	56.6
587.99261	4.1
605.11835	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	694.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.81045	1.8
55.01873	4.5
55.05508	18.2
57.03437	14.5
57.07069	2.2
59.04999	3.0
61.02909	8.4
62.67512	1.8
67.05506	100.0
69.03420	8.3
69.07070	11.3
71.04996	30.7
71.62212	2.4
79.05496	35.2
81.02970	3.3
81.03423	53.7
81.07057	40.5
83.04986	15.0
83.08619	22.8
85.02489	2.4
85.02915	26.7
85.06539	7.1
87.04424	1.8
91.03966	4.7
91.04955	3.6
91.05481	46.8
93.07046	40.2
95.04973	21.8
95.08607	21.8
97.02888	8.6
97.06543	10.4
97.10173	5.0
99.04446	2.4
99.08072	3.7
105.07021	23.6
107.04975	9.2
107.08607	14.0
109.06502	6.5
109.10156	74.9
111.04410	3.0
111.08087	10.3
113.05998	3.0
115.43346	1.9
117.07012	5.2
119.08585	30.2
121.06506	3.3
121.10148	11.8
123.08029	2.8
123.11694	2.1
125.09662	2.9
127.03914	3.3
129.06992	12.1
131.08572	11.4
133.10139	13.1
135.11713	18.7
137.09598	11.6
142.07768	3.6
143.23044	1.8
145.10103	7.0
147.07999	3.2
147.11688	11.9
149.09624	7.4
155.10651	2.7
157.10120	14.3
161.13097	2.0
163.11188	6.3
165.12720	4.0
173.11752	12.0
175.11194	12.1
181.12216	3.3
193.12260	29.7
199.50197	2.2
211.13292	36.2
212.40106	1.8
219.58179	1.8
226.04955	1.9
229.14233	4.1
255.15932	14.0
267.15958	18.1
285.17010	17.5
287.18576	21.3
304.81635	2.0
403.24359	2.9
421.25891	32.8
429.26227	2.3
439.26941	84.6
447.27444	43.3
453.28265	11.5
465.28491	61.9
467.19238	4.5
468.19211	4.5
479.29822	4.0
497.31064	55.7
694.30396	31.6
694.41455	3.9
695.32318	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01861	1.6
55.05513	9.2
57.03423	4.9
57.07058	3.3
57.22528	1.1
61.02645	1.6
61.02928	27.3
65.03922	1.2
67.05502	53.2
68.28759	1.0
69.03407	4.2
69.07066	9.5
69.63689	3.6
69.64116	4.6
71.04983	3.0
73.02912	9.3
75.04473	1.5
79.05488	33.0
81.03410	2.1
81.07052	66.1
83.04946	2.1
83.08610	5.4
85.02897	27.7
85.06528	2.0
91.03951	25.3
91.05479	19.8
93.07038	47.4
95.04947	2.8
95.08603	47.6
97.02889	15.0
97.06513	3.2
97.10146	3.1
99.04442	1.3
99.08068	2.8
105.07026	14.3
107.08592	32.7
109.02824	1.5
109.09451	2.1
109.10147	27.3
111.08040	1.8
113.09673	1.5
115.03918	1.9
115.87934	1.0
117.07034	8.3
119.08578	14.4
120.57278	1.2
121.10141	30.4
123.08066	2.0
123.11703	14.9
125.09589	1.5
127.03907	9.6
129.06990	1.3
131.08571	18.2
133.10112	14.6
135.11693	27.3
136.11978	1.2
137.09587	2.1
137.13248	6.4
139.11140	2.0
145.04062	1.3
145.04979	13.6
145.10121	16.5
147.11671	10.2
149.13249	19.3
151.11166	2.8
151.14827	2.4
159.11681	13.3
161.13257	10.7
163.06036	20.6
163.14810	15.9
165.12747	2.2
173.13237	12.9
175.14792	5.1
177.12730	1.9
177.16397	5.9
179.14207	2.2
187.14807	8.8
191.14209	1.7
201.16357	2.3
205.15741	1.8
215.17966	1.6
219.65924	1.1
233.22617	3.9
243.21069	32.6
261.22137	100.0
262.22443	2.0
263.23752	1.5
279.23154	2.8
335.25757	17.2
353.26871	48.4
497.30728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75319	0.6
53.03951	0.6
55.05512	0.8
57.03446	0.9
61.02924	4.5
62.35416	0.6
67.05510	3.1
69.03432	2.5
69.07057	1.0
69.76149	0.6
69.91531	3.4
73.02915	2.1
78.25732	0.6
79.05493	4.0
81.03426	3.5
81.07048	3.7
83.04974	1.3
83.08614	1.9
85.02904	5.9
91.03949	2.6
91.05491	3.7
93.07053	2.6
95.04987	1.7
95.08603	2.7
97.02901	2.9
97.06541	0.8
101.02394	1.5
105.07049	2.8
107.04924	0.9
107.08586	1.0
109.02877	0.8
109.10124	0.8
111.08072	0.7
119.08582	2.6
127.03934	1.2
129.06975	1.0
131.08577	0.9
133.10126	1.6
147.11713	2.0
157.10155	0.6
157.86613	0.6
169.03673	0.6
171.11737	0.8
185.04341	0.8
193.12291	1.5
198.17279	0.6
206.59955	0.6
208.26692	0.6
210.06854	0.6
211.13329	1.0
243.08487	2.2
247.13071	1.6
465.21075	4.4
469.20490	11.5
490.32446	0.6
619.82819	0.7
693.34534	100.0
694.35065	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	693.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05501	1.1
57.03439	1.5
61.02931	4.1
67.05503	3.6
69.03426	2.3
69.07037	1.0
69.65375	3.0
71.01383	0.4
71.05003	1.5
73.02905	2.4
79.05493	4.4
81.03433	3.3
81.07062	3.9
83.04987	0.6
83.08620	1.3
85.02905	5.7
91.03958	2.0
91.05471	4.6
93.07043	4.0
95.04985	2.0
95.08596	2.4
97.02887	3.1
97.06544	0.6
99.04471	1.1
101.02390	1.3
105.07040	3.4
107.04929	0.8
107.08598	1.7
109.02863	0.8
109.06539	0.8
109.10194	1.5
111.08107	0.9
114.70210	0.4
117.07042	0.8
119.08585	3.1
121.10139	0.7
123.08082	0.6
127.03942	1.0
128.06198	0.5
129.07024	1.6
131.08551	0.6
133.10133	1.3
135.11723	0.6
143.08603	0.7
145.10156	1.1
146.57683	0.5
147.11665	2.6
157.10150	0.5
159.11757	0.6
161.13315	1.2
165.09148	0.7
171.11742	1.6
175.11295	0.9
189.12799	0.6
193.12326	1.2
199.00111	0.4
203.05516	0.6
207.13872	0.7
211.13351	0.5
243.08444	1.6
247.13063	0.6
251.12665	0.8
303.15744	0.8
351.25446	0.8
387.45520	0.5
465.21008	10.6
469.20547	4.5
518.97992	0.5
693.34534	100.0
694.35016	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
53.68435	1.0
55.01861	3.0
55.05511	16.0
57.03182	1.2
57.03439	17.9
61.02928	4.9
65.03931	1.5
67.05161	1.7
67.05505	25.0
69.03421	5.1
69.07069	8.8
71.04999	5.6
79.05003	0.9
79.05072	0.5
79.05489	29.0
81.03418	91.7
81.07059	34.7
83.04977	20.7
83.08618	29.8
85.02905	33.4
85.03426	1.9
85.06541	2.3
91.03972	1.8
91.05481	40.3
93.07047	21.1
95.04971	31.9
95.08626	11.9
97.02900	6.0
97.06533	2.7
97.10172	4.5
98.21479	2.6
99.08086	2.0
105.04528	1.1
105.07029	26.9
105.68651	1.1
107.04958	8.6
107.08595	9.2
109.06535	6.8
109.10169	4.3
111.04430	3.6
111.08076	13.0
113.06017	3.7
115.05433	1.8
117.07040	2.5
119.04899	1.2
119.08585	25.0
121.06511	2.5
121.10141	10.9
123.08067	4.2
123.11744	2.2
125.05995	1.1
125.09636	2.6
129.07007	13.7
131.08563	16.0
133.06493	4.6
133.10139	15.9
135.11688	1.0
137.09631	2.8
142.07802	4.3
145.10107	2.7
147.08031	4.9
147.11691	22.2
149.09619	8.4
151.11182	1.7
156.01497	1.0
157.10123	19.1
163.11327	0.9
165.12794	2.9
175.11186	20.0
193.12242	64.3
211.13297	100.0
244.66768	1.1
249.14841	1.7
267.15924	37.9
285.16965	87.0
306.41440	1.1
367.22794	2.8
385.23682	3.0
403.24771	1.3
433.25391	1.3
441.25836	1.2
459.27423	22.3
477.28491	23.4
495.29547	71.9
590.71088	1.1
706.60840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01882	1.3
55.05520	2.3
57.03430	1.7
61.02929	3.3
61.17017	0.8
67.05505	3.6
68.87469	0.7
69.03428	3.5
69.07070	1.2
69.97179	0.8
71.05449	1.5
71.05760	0.8
73.02915	2.7
79.05483	6.9
81.03426	3.4
81.07065	4.9
83.04971	1.6
83.08604	1.3
85.02910	6.7
91.03986	2.5
91.05493	3.7
93.07057	4.9
93.45553	0.8
95.04958	1.9
95.08616	1.8
97.02895	5.0
97.06535	1.5
99.04465	1.7
101.02376	2.2
105.07048	2.5
107.08614	2.9
109.02893	1.3
109.06518	1.3
117.06978	1.2
119.08585	2.7
121.10188	1.7
123.08102	1.7
127.03938	2.3
129.07002	1.0
131.08554	1.1
135.11713	1.1
143.08498	0.9
145.10094	2.1
147.11674	2.1
157.56808	0.8
163.11227	2.6
171.11737	1.4
185.13478	1.0
243.08551	1.2
259.09778	1.3
346.67743	0.9
465.20987	7.5
467.18753	6.0
691.32990	100.0
692.33356	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71791	0.3
52.89831	0.3
53.03937	0.7
55.01864	0.6
55.05509	2.2
57.03440	2.6
57.07083	0.4
57.84568	0.3
61.02927	6.4
67.05504	8.9
69.03436	3.8
69.07072	1.2
71.01369	0.6
71.04985	1.1
73.02915	4.0
75.04508	0.3
75.39146	0.4
79.05499	3.9
81.03413	2.8
81.06576	0.4
81.07058	6.3
83.04987	0.6
83.08628	1.4
85.02896	5.8
91.03967	3.9
91.05473	2.6
93.07050	3.2
95.08607	4.5
97.02892	4.8
97.10160	0.3
98.20721	0.9
99.04466	1.2
101.02383	2.3
103.03949	0.3
105.07050	1.8
107.08601	2.0
109.02892	1.1
109.10158	5.4
111.08096	0.3
115.03941	0.6
117.07085	0.4
119.08569	1.8
121.10168	2.1
127.03934	1.3
131.08572	0.8
133.10172	0.9
135.11685	1.1
141.74797	0.3
145.04964	0.7
145.10109	0.6
147.11682	0.8
149.13171	0.4
155.10707	0.6
159.11703	0.6
161.13239	0.4
173.11809	0.8
185.04221	0.7
193.12219	0.7
195.09982	0.6
211.13287	0.5
229.14458	0.7
237.00323	0.3
243.08362	2.0
259.17032	0.5
261.22174	0.5
335.25842	0.9
413.17825	4.3
459.19647	0.4
519.11322	0.4
519.29303	10.0
529.38440	0.5
577.86835	0.3
599.78229	0.4
691.40253	100.0
692.40649	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	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01862	6.6
55.05507	14.7
57.03180	1.1
57.03439	14.1
59.04993	3.0
61.02926	4.0
65.03932	1.2
67.05504	18.7
69.03429	2.6
69.07062	5.0
70.97929	1.9
71.04987	5.0
73.02943	1.1
73.19624	0.9
79.05492	23.3
81.03418	45.7
81.07056	26.3
81.07437	0.5
82.58003	0.9
83.01338	5.2
83.04984	17.8
83.08618	17.9
85.02903	17.7
85.06554	2.1
91.03952	1.0
91.05481	24.1
93.07043	22.6
95.04971	20.0
95.08601	8.3
96.16665	1.0
97.02919	4.4
97.06554	4.1
97.10168	4.4
99.04472	2.2
103.05425	0.9
105.04498	1.0
105.07023	17.5
105.07676	1.7
107.04945	8.5
107.08589	11.1
109.06523	6.9
109.10172	2.2
111.04449	2.6
111.08054	6.8
113.06000	1.8
115.05418	1.2
117.07004	5.4
119.08577	15.6
121.06486	3.9
121.10137	10.5
123.08059	7.4
123.11757	1.3
125.06023	1.1
125.09642	2.1
129.06999	8.0
131.08534	8.2
133.06479	1.9
133.10112	7.0
135.08058	1.5
135.11696	8.6
137.09590	2.1
142.07765	1.2
145.10115	11.2
147.08029	3.5
147.11674	9.8
149.09616	5.8
153.12729	1.2
157.10110	8.3
163.11185	17.3
165.12802	1.6
173.09610	2.3
175.11188	8.4
181.12262	1.7
191.10721	2.5
193.12239	30.6
207.76105	1.0
209.11713	4.6
211.13286	40.3
227.12790	2.6
267.15884	11.7
274.92331	1.1
283.15393	60.5
285.16940	36.6
328.82483	1.2
346.35049	1.1
383.22144	3.3
401.23398	1.2
457.25824	2.7
475.26849	16.8
488.90558	0.9
493.27951	100.0
494.28223	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.5
53.03944	13.1
53.82656	1.4
55.01883	7.3
55.05257	2.1
55.05509	32.8
57.03439	12.0
57.07063	1.9
59.13556	1.5
65.03937	5.4
67.05504	75.9
67.05868	3.7
69.03430	36.6
69.07069	20.9
69.90121	6.8
71.05001	10.3
73.02908	2.7
77.03912	2.0
79.05494	73.6
81.03419	100.0
81.07059	70.0
82.03812	1.5
83.04988	22.4
83.08624	24.3
85.02899	19.1
85.06529	4.3
88.83327	1.4
91.04882	2.5
91.05479	64.2
93.07044	65.8
95.04966	31.3
95.05541	2.2
95.08608	41.8
97.02893	21.7
97.06526	8.4
97.10178	7.3
99.04454	5.1
99.08110	2.1
103.05494	2.9
105.04502	3.4
105.07022	44.6
107.04949	8.6
107.08606	31.2
109.02883	18.3
109.06522	9.6
109.10146	18.2
111.04451	15.3
111.08061	10.2
113.06044	2.2
115.05464	4.0
117.07021	17.9
119.04913	2.1
119.08582	35.8
121.06518	5.8
121.10142	30.9
123.04412	1.8
123.08089	3.6
123.11713	6.0
125.09661	4.0
127.03909	11.8
128.06210	4.0
129.05504	2.2
129.07002	21.3
131.08571	28.5
133.06503	4.5
133.10127	24.4
135.08052	3.8
135.11682	14.5
137.05957	1.9
137.09608	3.4
141.06989	5.3
142.07791	4.5
143.08556	9.3
145.06505	2.7
145.10097	17.7
147.08069	6.1
147.11681	23.5
149.09610	6.4
149.13251	6.5
153.07043	2.1
153.12746	3.6
155.08583	5.1
156.49886	1.6
157.06543	2.1
157.10135	18.4
159.08020	3.2
159.11676	8.8
161.13286	3.4
163.11197	5.4
165.12759	5.4
167.08694	2.0
169.10158	3.0
171.11699	5.0
173.04460	3.0
173.09615	2.1
173.13237	7.5
175.11189	12.8
175.14825	2.6
179.08540	2.1
181.10165	1.9
181.12306	3.8
183.11682	3.6
185.13239	6.0
189.12787	1.8
191.10713	3.8
193.10469	1.4
193.12251	43.3
195.11707	3.3
197.13263	3.8
199.11191	2.2
199.14903	2.2
201.16359	1.6
211.13278	65.4
227.12772	3.3
249.14886	1.6
259.20590	2.4
261.22183	5.4
267.15860	8.4
277.21695	3.2
285.16879	8.2
301.21671	1.8
317.24933	2.6
335.25812	11.3
337.16571	3.1
345.24298	1.7
351.23209	7.9
355.17593	9.1
369.24258	7.6
387.25262	5.6
405.26422	2.3
411.20306	5.2
443.28214	3.1
461.29498	3.4
527.37213	8.4
545.38947	7.9
641.14014	1.9
653.40338	6.3
671.41650	6.5
689.42566	65.3
690.43304	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.1
53.03942	12.9
55.01867	5.6
55.05511	30.7
57.03440	10.5
57.07057	1.7
58.36361	1.3
59.04999	1.8
65.03935	7.1
67.05505	75.8
69.03428	36.6
69.07067	20.4
71.01344	2.1
71.04990	10.6
73.02923	1.4
77.03925	2.0
79.05490	66.5
81.03419	100.0
81.07056	72.1
83.04978	20.5
83.08618	28.4
85.02906	18.2
85.06553	4.0
91.05479	65.4
93.07043	69.3
95.04971	33.3
95.08604	41.7
97.02898	22.2
97.06534	7.5
97.10175	8.5
99.04457	9.4
99.08109	2.9
103.03945	1.7
103.05460	3.0
105.04529	2.8
105.07028	42.8
107.04941	9.9
107.08592	33.4
109.02880	17.8
109.06507	6.8
109.10147	17.7
111.04443	12.1
111.08076	9.1
113.05999	2.0
115.05449	2.3
117.07011	16.8
119.08576	42.6
121.06528	5.8
121.10140	28.2
123.04464	1.8
123.08077	4.8
123.11697	6.2
125.09663	5.7
127.03915	12.2
128.06236	2.7
129.05508	3.9
129.07014	17.7
131.04953	3.2
131.08578	29.9
131.09511	2.6
133.06482	5.4
133.10135	21.1
135.08084	3.5
135.11708	15.3
137.06006	2.0
137.09660	4.1
139.11159	1.4
141.07022	3.7
142.07822	4.3
142.41731	1.4
143.08575	9.3
145.06514	4.0
145.10133	16.7
147.04494	1.3
147.08072	5.1
147.11691	25.1
149.09642	9.0
149.13284	5.8
151.11208	1.6
153.12798	2.2
155.07368	1.2
155.08519	6.5
157.06551	1.7
157.10127	18.9
159.08128	1.7
159.11673	12.8
161.06129	1.8
161.09656	1.7
161.13292	5.5
163.11209	5.7
163.14824	3.3
165.12727	7.5
167.08565	2.4
169.10167	3.7
171.08011	1.9
171.11717	5.6
173.04507	5.2
173.09677	3.4
173.13297	5.9
175.11192	12.8
175.14832	2.1
181.10184	3.5
181.12270	3.9
183.11722	3.6
183.13629	1.6
185.13332	5.6
187.14851	4.4
191.10698	4.5
193.12241	38.4
195.11740	3.6
199.11183	2.0
199.14856	2.7
209.13416	2.9
211.13277	63.5
213.12770	3.7
227.12631	6.4
229.07387	1.5
229.14403	1.9
241.19641	1.3
243.21243	1.9
253.16046	1.4
255.13995	1.9
259.20676	2.8
261.22083	8.0
267.15891	7.9
271.20560	1.5
273.15060	1.8
277.21619	2.8
283.15576	2.1
285.16986	6.6
289.21692	1.9
301.14706	1.4
301.21573	1.8
315.23389	1.8
317.24771	1.7
319.15155	1.5
323.23932	1.4
327.23239	2.4
335.25861	14.9
337.16693	2.2
351.23306	3.8
355.17554	9.3
369.24200	7.5
387.25400	2.9
393.19284	1.4
405.26596	4.0
411.20258	5.8
435.33105	1.9
443.28046	3.5
461.29379	2.8
503.07440	1.5
527.37378	10.4
545.38306	10.2
615.37946	1.5
635.39807	2.1
653.40350	4.5
671.41974	9.1
689.42548	67.0
690.43066	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.4
55.01881	9.0
55.05516	34.5
57.03436	11.4
57.07077	3.8
59.04992	1.7
65.03941	6.0
65.95662	1.6
67.05510	80.5
69.03432	31.6
69.07074	21.8
70.65195	3.3
70.65536	2.4
71.04990	9.4
77.03926	2.6
79.05495	67.4
81.03422	100.0
81.07061	65.6
83.04980	24.6
83.08614	21.1
83.30139	2.0
85.02905	16.0
85.06571	2.1
91.05484	58.6
93.06456	3.5
93.07047	63.9
93.07616	3.6
95.04970	37.4
95.08614	44.9
97.02895	19.3
97.06522	8.3
97.10170	7.6
99.04452	7.9
99.08099	3.8
105.07031	53.9
106.07331	2.1
107.04970	9.3
107.08603	31.9
109.02885	15.5
109.06528	8.7
109.10160	16.1
111.04476	12.6
111.08098	10.1
113.06014	4.0
115.03937	2.0
115.05473	3.0
117.07037	21.9
119.04995	2.5
119.08588	37.3
121.06532	7.4
121.10147	29.0
123.04440	7.0
123.08088	4.2
123.11717	7.4
125.09686	4.2
127.03928	12.4
128.06273	4.3
129.05521	3.3
129.06999	17.1
131.04956	2.9
131.08575	28.9
133.06517	6.4
133.10141	22.3
135.04434	2.4
135.08069	2.7
135.11670	14.1
137.05966	2.1
137.09647	4.1
141.07050	5.8
141.74165	1.6
142.07793	3.0
143.08571	10.5
145.06506	3.9
145.10120	17.1
147.04417	2.7
147.08067	4.7
147.11687	23.4
149.09665	7.4
149.13293	7.2
150.33087	2.0
153.12767	3.2
155.08571	8.3
156.09319	1.8
157.06551	2.1
157.10135	16.4
159.08070	2.6
159.11711	12.1
161.09642	3.2
161.13295	7.9
163.11224	7.5
165.12773	5.6
167.08563	3.8
169.10172	5.3
171.08136	2.3
171.11722	10.1
173.04491	5.2
173.05930	2.9
173.09665	2.4
173.13304	6.8
175.11218	14.1
175.14777	2.3
177.12781	4.1
181.10240	2.2
181.12231	3.5
183.11728	6.0
184.07387	2.4
185.06302	1.8
185.09656	2.2
185.13301	6.6
187.14932	2.7
189.12820	2.6
191.10745	4.7
193.12234	36.4
195.11751	5.0
197.13359	5.3
199.14906	3.7
201.12796	2.2
207.04526	2.0
207.13913	3.5
209.13470	2.8
211.06091	1.8
211.13286	52.6
211.15178	3.0
227.12804	3.9
229.14445	3.3
231.13933	2.0
235.13264	4.2
243.21233	3.0
244.45947	2.0
249.14874	2.3
259.20596	2.2
261.22214	6.6
267.15988	13.1
273.14990	3.0
277.21652	2.2
285.17007	9.1
285.22220	2.0
301.14407	6.0
301.21600	4.5
333.22034	1.8
335.25793	18.0
336.26035	2.3
337.16489	3.2
341.24966	2.3
351.23264	5.7
355.17694	5.1
369.24167	8.6
387.25513	6.9
393.19025	2.4
405.26346	2.2
411.20233	6.5
443.28094	2.4
461.29327	5.2
527.37366	12.4
545.38727	6.7
558.66425	2.0
569.39130	2.6
635.39685	3.5
653.40692	7.8
671.41748	9.2
689.42627	58.2
690.42853	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	689.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.05512	1.5
57.03434	1.7
57.92458	0.5
61.02930	4.4
63.10152	0.5
65.03951	0.6
67.05509	4.9
69.03429	2.1
69.07068	0.8
70.99726	1.1
73.02928	2.3
73.77023	0.4
79.05493	6.4
81.03426	2.8
81.07068	4.8
83.04986	1.4
83.08630	1.3
83.86439	0.6
85.02920	3.5
91.03956	1.7
91.05482	6.2
93.07050	5.3
95.04983	1.8
95.08599	2.8
97.02898	4.1
97.06579	0.6
99.04408	0.8
101.02396	1.2
103.03973	0.6
105.07033	4.4
107.04961	1.1
107.08597	2.3
109.02904	0.9
109.10149	1.1
111.04451	0.6
115.05444	0.6
117.07027	1.3
119.08568	2.6
121.06525	0.5
121.10152	0.6
127.03915	0.8
129.07022	1.6
133.10156	1.3
135.11693	0.7
143.08583	0.6
145.10138	1.6
147.08171	0.5
147.11676	2.5
157.10236	0.5
161.13213	1.0
171.11742	1.8
172.04002	0.6
187.07735	0.5
189.12772	0.7
197.26584	0.5
207.13977	0.6
221.90440	0.5
243.08473	1.8
247.13083	2.7
281.17715	1.0
303.15527	0.9
465.21027	14.9
466.21161	0.5
689.35065	100.0
690.35242	4.6
707.30481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.3
55.05513	24.8
56.96574	6.7
57.03432	13.3
61.02899	4.3
67.05502	63.7
69.03442	6.4
69.07059	17.9
71.04987	6.9
71.61864	8.2
76.41360	3.8
79.05493	81.4
79.59039	4.8
81.03033	5.5
81.03429	58.1
81.07058	65.1
83.04974	22.2
83.08631	22.3
84.98093	3.9
85.02930	25.4
85.06535	8.0
91.05483	70.1
91.79119	4.3
93.07045	66.8
95.04964	31.2
95.08600	33.2
97.02898	5.6
97.06519	4.0
97.10166	9.6
98.97562	7.3
105.04546	4.8
105.07027	49.0
107.04955	7.8
107.08595	31.1
109.06516	11.7
109.10155	8.0
111.08072	6.2
116.07343	4.6
119.08588	45.1
121.10154	15.0
123.08087	9.5
129.06993	21.0
129.12685	6.4
131.08556	9.1
133.10162	24.3
135.11670	4.6
142.07695	4.2
143.08571	7.4
145.10149	12.9
147.11690	44.7
157.10153	12.0
161.13263	10.7
171.11725	21.1
175.11119	10.0
180.16403	5.0
183.72948	5.3
189.12827	7.4
193.12228	23.7
203.17842	4.0
207.13831	33.0
211.13274	33.9
216.12657	4.9
267.15921	40.4
281.17502	96.9
285.14203	6.7
285.16934	34.4
294.14975	4.1
308.62000	4.7
328.78912	4.4
473.29041	86.3
491.30154	100.0
690.86151	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	686.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
57.07079	30.8
63.47590	1.1
67.05499	3.1
69.07095	5.7
71.08636	29.3
71.61800	1.2
71.62280	2.1
73.04731	1.2
73.06553	8.9
79.05493	1.3
79.25119	1.2
81.07047	3.5
83.08641	6.4
85.10188	18.8
87.04474	8.2
89.06036	100.0
91.07664	1.1
95.08602	2.5
97.10172	6.4
99.11761	2.6
107.04939	1.4
107.07070	2.3
107.08623	1.6
109.10135	1.7
111.11753	5.9
117.09147	5.0
119.08607	1.7
119.44035	1.2
125.13203	2.0
127.14876	1.3
130.08661	2.9
131.07039	2.8
133.08606	47.6
141.16403	1.5
161.11740	2.3
163.11131	1.2
174.25211	1.1
175.09698	2.1
177.11212	18.7
211.24332	3.4
218.83337	1.2
221.13795	4.0
239.14777	1.8
255.26833	3.4
299.29440	5.5
327.20114	1.4
343.32047	3.3
388.41965	1.4
445.18704	1.1
455.67630	1.2
459.28412	2.9
461.23154	1.3
573.40698	1.2
669.50653	2.0
686.45209	2.0
686.55676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01857	0.9
55.05510	2.9
57.03175	0.9
57.03439	9.4
57.07063	0.5
58.15065	0.4
59.05008	0.7
61.02921	0.8
67.05496	3.5
69.03430	9.7
69.07060	1.6
71.01347	1.8
71.04995	48.7
72.25262	0.5
73.02932	4.3
75.04475	2.0
79.05490	3.1
80.93900	0.4
81.03417	1.7
81.07061	6.9
83.01357	0.8
83.04978	6.3
83.08630	1.6
83.28895	0.4
85.02907	73.8
86.03251	0.5
87.04459	2.1
89.19005	0.5
91.05474	3.7
93.07053	5.7
95.04997	1.2
95.08606	6.7
97.02890	7.9
97.06537	1.3
98.21509	0.9
99.04462	5.5
101.06026	0.6
105.07058	4.0
107.04959	0.9
107.08598	6.3
109.02861	0.6
109.10172	2.8
111.04447	3.6
111.08112	0.5
115.03934	4.1
117.05508	2.4
117.07019	2.0
119.08594	4.2
121.10139	3.3
123.04435	0.5
123.08082	0.8
123.11750	0.9
127.03921	1.9
128.39185	0.5
129.05484	16.5
129.06970	1.2
130.07867	0.7
131.08585	5.3
133.04967	0.6
133.10152	3.0
135.11687	3.1
139.03973	1.5
143.08597	1.1
145.04985	1.8
145.10141	6.9
147.06543	3.6
147.11734	2.4
149.13336	1.3
157.05057	0.9
157.10146	0.7
159.11719	4.0
161.13336	1.0
163.06058	1.1
163.11200	2.0
163.14885	1.3
165.09111	0.8
171.06606	1.6
171.11711	0.6
173.13329	1.5
177.16489	0.8
181.12325	0.5
185.13297	2.0
187.13127	1.0
187.14822	16.0
189.16383	6.8
191.18022	2.1
199.14899	1.3
201.16412	4.6
202.30577	0.5
203.18030	1.4
205.12195	0.6
210.81815	0.5
213.16429	1.7
215.18027	1.3
225.07603	1.3
227.18050	0.9
229.19527	0.9
243.08723	1.0
253.19592	0.5
255.21188	0.7
261.09906	0.7
283.15427	7.4
360.06036	0.5
376.35571	0.6
382.79578	0.6
391.33643	3.3
403.37653	0.5
491.26315	4.2
687.44812	100.0
688.45294	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65527	0.7
52.61593	0.7
53.03955	1.4
54.14923	0.7
54.63836	0.8
55.01874	0.9
55.05518	10.9
57.03183	0.9
57.03440	11.5
57.07064	2.4
59.05003	5.1
61.02921	3.6
65.03933	3.0
67.05508	100.0
67.96712	0.7
69.03416	1.8
69.07071	8.0
70.22229	3.3
71.04990	3.7
73.02920	1.0
79.05493	20.5
81.03417	1.4
81.07061	37.0
83.08615	7.9
85.02905	4.3
85.06533	3.6
91.03986	1.8
91.05479	14.1
93.06464	1.2
93.07049	23.9
95.04970	2.1
95.08613	25.1
97.02895	2.3
97.06535	1.0
97.10173	2.5
99.08099	0.9
105.07050	6.7
107.08595	11.9
109.06510	1.1
109.10162	69.5
111.08076	3.7
117.07021	2.0
119.08598	11.8
121.10154	9.4
123.11707	4.4
125.09632	1.6
131.08586	5.3
133.10136	6.2
135.11700	7.6
137.09622	3.8
137.13293	1.4
145.10143	5.2
147.11691	2.4
149.13278	2.5
155.10693	6.9
159.11652	3.9
161.13206	2.2
163.14818	2.3
171.11685	0.9
173.11800	20.1
173.13292	3.8
175.14842	2.0
187.14842	2.6
201.16344	1.0
227.12796	4.1
228.65298	0.9
229.14369	86.5
230.14621	1.2
241.06380	0.9
243.21104	4.5
249.31015	1.0
261.22119	14.5
317.24707	2.5
335.25815	57.4
336.26135	1.6
381.63931	0.9
415.31760	1.8
446.03427	0.8
471.34451	1.1
489.35773	36.2
490.35846	1.3
507.36658	2.2
686.44324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03939	2.7
55.01863	1.6
55.05516	11.6
57.03174	1.2
57.03436	12.4
57.07069	2.1
59.04989	3.4
61.02920	4.8
65.03922	3.6
67.05505	100.0
69.03412	1.8
69.07071	9.0
71.04984	3.6
73.02908	1.1
75.12407	1.0
79.05496	21.6
81.03423	1.9
81.06042	1.2
81.07058	40.5
83.04964	1.4
83.08633	8.5
85.02895	4.1
85.06519	3.7
91.03928	1.2
91.05470	14.8
93.07051	27.9
95.04966	2.3
95.08039	1.8
95.08610	28.2
97.02880	2.9
97.06537	1.5
97.10174	1.6
99.08099	1.3
105.07037	8.7
107.08598	14.7
109.06470	1.4
109.10157	82.5
111.08077	5.9
111.11783	1.0
111.57809	1.1
117.07011	3.5
119.08583	11.7
121.10142	10.2
123.11706	4.6
125.09657	1.4
131.08598	5.6
133.10132	6.5
135.11684	8.1
137.09613	4.3
137.13243	1.9
145.10088	4.1
147.11641	3.4
149.13255	5.7
155.10660	6.9
159.11655	3.2
161.13251	2.5
163.14824	2.2
173.11722	17.4
173.13242	4.7
175.14807	1.1
186.93625	0.9
187.14857	1.1
189.11270	1.4
201.16304	1.0
227.12769	3.6
229.14348	89.1
229.41229	1.6
243.21021	5.2
261.22147	20.4
267.07974	1.1
317.24710	2.9
335.25793	74.6
415.32339	1.4
424.67932	1.0
465.51895	1.2
489.35779	63.6
490.36078	1.3
507.36636	2.9
618.63513	1.0
687.41144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85130	0.7
55.05515	1.5
57.07084	1.5
61.59905	0.7
62.45684	0.8
66.80910	0.7
67.05511	6.0
69.07073	1.8
71.08620	0.9
79.05505	4.2
81.07051	6.6
83.05023	0.8
91.05441	1.9
93.07063	3.4
95.04945	0.9
95.08591	4.7
105.07057	2.3
107.08646	2.3
109.10173	1.8
112.92328	0.7
119.08483	0.7
121.10159	1.8
131.08572	0.8
133.10176	0.9
135.11740	1.0
149.13240	0.8
177.10905	0.7
179.14409	0.8
250.22284	0.7
292.79160	0.9
313.27344	1.5
333.20395	2.3
335.21918	1.8
351.21371	5.1
389.23022	1.7
407.24084	2.0
573.48492	2.1
648.50458	0.9
685.46478	100.0
686.46667	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	686.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92962	1.4
53.03937	4.7
54.49697	1.6
55.01852	3.9
55.05508	12.8
57.03424	6.7
58.76363	1.3
59.04996	2.5
61.02929	3.2
65.03939	2.6
66.04751	1.5
66.73085	1.7
67.05506	23.5
68.65726	1.4
69.03412	2.1
69.07059	6.4
69.43731	5.5
69.44160	7.2
69.95002	1.6
71.04992	10.8
79.05048	2.7
79.05491	41.6
81.03419	9.0
81.07056	22.2
83.01334	2.0
83.04972	11.4
83.08624	7.8
85.02896	10.9
85.06537	2.3
91.05470	33.8
93.07037	41.8
95.04955	11.1
95.08601	14.4
97.02883	2.3
97.06506	5.5
97.10167	3.7
98.21523	3.0
105.07035	21.1
107.04955	7.5
107.08596	11.1
109.06500	5.7
109.10144	3.0
111.04459	1.6
117.06992	8.1
118.88776	1.5
119.08571	16.6
121.06499	2.5
121.10144	5.7
123.08059	5.8
129.07005	7.8
131.08566	5.5
133.10129	5.7
134.93088	1.6
135.11697	6.6
143.08543	5.8
145.10123	10.5
147.08055	2.7
147.11676	16.3
148.37102	1.5
161.09593	2.0
161.13254	6.2
163.11156	9.3
171.11684	11.7
173.09547	1.7
181.12292	2.2
189.12694	4.2
207.13797	17.1
209.11679	2.0
227.12759	1.8
231.92969	1.7
246.12726	1.5
269.10455	1.5
281.17456	43.3
283.15378	37.1
331.84625	1.6
432.29190	1.6
471.27390	8.4
489.28467	100.0
490.28735	2.6
571.94537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01860	6.2
55.05513	35.4
57.03435	18.2
57.07075	51.0
65.03940	5.4
67.05503	49.1
68.37824	2.8
69.03425	16.0
69.07063	13.1
71.04958	6.1
71.08626	42.4
71.62112	3.9
73.02892	3.2
79.05487	23.3
81.02971	5.2
81.03418	82.9
81.07053	43.0
83.04983	83.6
83.08627	26.2
85.02902	18.1
85.10179	21.0
87.04452	4.9
89.05994	3.7
91.05471	25.3
93.07043	20.3
95.04971	22.8
95.08603	38.5
97.02907	17.7
97.06538	7.6
97.10163	10.4
99.04478	6.0
101.38162	3.4
105.07016	15.1
107.04939	6.8
107.08575	12.5
109.02862	5.7
109.06532	6.7
109.10142	13.8
111.04408	24.3
111.08081	9.2
117.06971	4.3
119.08539	19.9
121.10126	12.0
123.11692	6.2
127.03905	9.0
129.05475	30.8
129.06976	10.3
131.08557	6.6
133.10136	9.7
135.11687	4.5
135.44380	3.8
137.09605	3.9
145.10146	4.2
147.11667	20.1
149.09608	6.3
157.10138	9.9
163.11131	4.1
165.12790	5.0
175.11192	13.4
189.05254	3.5
191.10664	5.5
193.12238	36.6
202.60049	3.0
211.13313	57.1
213.05733	3.6
227.12712	12.2
229.14301	10.8
239.23547	6.1
267.15915	20.1
283.15445	3.6
285.16956	13.3
286.34412	3.4
313.27359	70.4
411.20178	4.2
429.21008	13.8
498.55725	3.9
505.38763	10.8
523.39923	100.0
667.43475	19.9
685.43835	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	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10359	0.8
50.48261	0.8
55.05507	1.6
59.21680	0.7
67.05494	3.2
67.41859	0.6
69.03442	1.4
69.07067	4.6
71.61651	1.0
76.20658	0.8
79.05495	3.6
80.01373	1.4
81.07065	4.5
85.02900	1.7
91.05455	1.3
93.07030	1.8
95.04992	1.0
95.08598	3.5
97.02896	0.8
105.07018	1.1
106.06575	3.8
107.08585	1.6
109.10131	2.0
116.04978	1.7
121.10137	1.9
123.11671	1.1
124.07609	1.0
133.10159	0.9
134.06013	28.3
136.07574	5.2
137.05992	1.1
137.08353	3.5
145.10103	0.9
148.07613	1.3
150.09201	0.9
152.07079	7.6
154.08691	0.8
160.07574	0.9
161.05879	0.8
162.09169	1.5
166.08652	2.1
176.06992	1.4
176.10730	3.2
178.08627	11.7
179.09409	4.8
180.06590	4.5
180.10193	3.8
182.08104	1.6
188.10637	1.8
190.08592	1.0
190.12294	2.1
194.08124	0.8
194.11752	0.9
202.12282	3.3
204.10208	2.5
206.08122	19.3
206.10071	1.0
216.13681	1.4
218.11853	1.3
224.09151	5.0
228.13715	0.8
230.11739	2.1
230.71283	0.8
236.09166	0.9
266.13684	0.9
292.15378	1.2
334.20084	1.0
396.32535	2.1
418.29272	1.3
420.23236	0.9
424.32080	3.1
430.29272	1.3
442.37363	1.0
461.60797	0.8
465.14481	0.9
486.35797	100.0
487.36072	3.5
504.36816	77.0
505.37000	2.0
522.37885	35.7
523.38037	1.0
648.40674	1.8
666.42090	21.3
684.43542	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	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.5
53.04908	0.6
54.56317	0.6
55.05416	1.5
55.05660	0.7
57.07002	0.6
64.45602	0.5
67.05394	2.0
69.03341	1.0
69.06960	3.2
69.92107	2.9
79.05367	3.5
80.01283	1.5
81.06934	4.5
81.07447	1.1
83.08501	0.9
85.02776	1.9
91.05386	1.4
93.06960	1.4
95.08482	3.3
97.02789	0.8
105.06950	1.2
106.06403	3.9
107.04844	0.6
107.08475	1.6
109.10030	1.7
116.04825	2.4
119.08454	1.2
121.10054	0.8
123.11629	0.9
124.07449	1.9
134.06021	32.7
134.06955	1.5
135.11534	0.6
136.07594	5.5
137.08180	2.0
140.06967	1.0
143.08276	0.6
145.09952	0.6
148.07484	1.3
150.09016	1.7
151.09782	0.8
152.07082	12.2
154.08508	0.8
154.63176	0.6
160.07401	1.7
161.08211	0.8
162.09140	2.6
163.03827	1.3
164.06990	1.0
166.08464	1.6
168.06367	0.8
174.09087	1.0
176.06915	0.9
176.10696	3.7
177.11427	0.8
178.08632	13.1
179.09438	4.4
180.06575	5.3
180.10204	4.0
180.56270	0.5
188.06937	0.8
188.10547	2.6
190.08533	1.6
190.12163	1.6
192.10063	0.8
194.11597	1.2
200.10588	1.2
202.12294	3.8
204.09956	1.8
204.13724	0.9
206.08131	24.6
214.12196	1.0
216.09930	0.7
216.13768	1.3
218.11726	0.6
220.13246	0.7
224.09161	4.0
226.12172	0.7
228.13646	0.6
230.11636	1.8
238.10693	1.3
244.13177	0.8
248.12744	0.5
259.92776	0.6
280.14975	0.7
281.27304	0.7
292.15338	1.2
334.20175	0.7
356.25708	0.6
396.32544	1.2
406.30847	0.7
424.32095	4.9
442.32855	2.6
460.34280	1.8
469.26480	0.7
486.35797	13.6
487.59729	0.6
504.36853	100.0
505.37292	3.0
522.37927	99.7
523.38336	2.0
630.40344	0.8
648.41052	0.8
666.42548	1.8
684.33734	1.5
684.43280	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	684.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91687	1.1
53.03938	4.7
55.01862	3.3
55.05507	7.2
56.05850	1.9
61.02916	1.4
69.03430	9.7
69.30135	12.5
71.04989	1.5
73.02916	1.8
74.65416	1.2
79.05495	3.6
81.03421	22.4
83.08610	3.4
84.08959	1.2
85.02904	28.6
85.03414	2.1
87.00829	10.2
91.05457	2.2
97.02888	12.5
98.20630	1.4
99.04457	6.5
100.07647	1.6
100.11256	20.2
101.07932	1.4
101.11570	11.1
102.11934	1.2
103.05453	1.1
105.01881	6.7
105.07007	1.4
107.04955	8.7
108.04459	2.1
109.02879	11.5
111.04410	1.9
115.05474	6.0
117.07016	10.2
123.04418	2.4
124.05164	2.3
127.03895	17.5
128.07059	1.7
129.01802	1.4
129.06992	2.6
131.04929	1.4
131.08559	2.4
133.06392	1.4
141.07018	2.5
144.05699	3.2
145.04948	8.7
145.06477	31.4
147.02820	1.8
152.04671	1.3
155.06012	3.8
156.05693	6.4
157.06500	1.9
158.27527	1.2
159.02913	4.9
159.08052	5.5
161.06001	3.5
167.07042	50.1
169.80461	1.2
173.05980	59.3
174.06302	1.3
175.07570	3.0
181.04951	1.8
182.15480	5.6
183.15822	5.8
184.16060	2.1
187.07564	5.9
190.06235	34.8
191.06973	1.9
193.08597	2.9
202.06250	2.9
203.07030	5.4
205.08591	100.0
206.08940	1.7
209.16495	3.2
210.14842	5.2
210.16783	4.3
211.15196	5.1
211.17035	2.6
212.15437	3.6
213.15742	1.8
217.08603	43.3
219.08157	1.8
219.10069	5.5
223.09593	2.7
231.04974	2.8
235.07381	1.0
235.09627	26.6
239.27579	1.3
247.07434	2.2
247.09647	7.8
248.08170	2.8
263.10687	1.8
264.07721	1.9
265.10699	36.0
269.08127	2.2
271.09464	1.7
291.10126	3.5
299.09085	1.5
307.09738	1.4
315.08609	8.7
323.12637	2.1
329.29288	1.3
330.10956	14.7
331.11746	4.4
351.12146	3.5
351.24365	4.0
369.13675	2.8
371.15009	3.3
383.14969	16.0
401.15988	17.6
451.72647	1.2
665.50909	5.4
666.51318	1.7
683.52423	35.3
684.52319	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	682.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.4
57.03429	3.1
57.07063	4.4
60.77122	2.4
67.05499	8.2
69.03416	4.5
69.07075	14.1
69.46449	7.2
69.46860	15.3
79.05485	9.1
79.49188	3.2
81.03432	2.8
81.07063	28.4
83.08624	9.7
85.02902	9.5
85.06550	2.8
91.05473	15.5
93.07046	26.8
95.01330	24.8
95.08613	60.8
95.09216	3.4
97.02891	3.6
97.06548	2.8
98.20695	2.8
99.08121	3.0
103.03928	3.2
105.07038	33.4
107.08601	53.6
109.10152	28.5
111.08073	3.9
113.02403	2.9
117.07005	2.9
117.94841	2.6
119.08585	68.3
121.10147	48.1
123.00830	2.6
123.08154	3.4
123.11713	13.3
129.07016	3.5
131.08562	25.1
133.10141	42.0
135.08096	3.5
135.11699	31.6
137.13242	3.5
141.01839	64.0
141.02879	5.2
143.08583	10.7
145.10123	50.4
147.11696	30.4
149.09720	3.3
149.13249	13.8
151.14909	3.5
153.09172	3.5
157.10133	12.6
159.02927	5.9
159.11693	38.5
161.13232	17.2
163.07677	3.1
163.11180	7.3
163.13686	2.8
163.14795	14.2
169.10217	4.4
171.11716	12.2
173.09669	3.3
173.13264	28.2
175.14832	32.8
177.09029	3.2
177.12729	3.2
177.16397	36.5
181.12277	4.5
183.11726	6.6
185.13315	15.0
186.14134	2.6
187.14819	46.5
189.16393	40.3
191.18033	3.2
197.13321	5.2
199.14807	19.4
201.16394	76.9
203.14359	7.4
203.17979	22.0
205.15887	100.0
207.17436	11.4
211.14827	11.4
213.16409	18.0
215.14449	3.3
215.17963	10.1
217.15863	2.7
217.19505	3.5
219.13980	3.2
219.17323	4.6
221.15402	4.7
223.17061	5.0
225.16406	5.5
227.17976	4.5
229.19533	4.0
233.15440	4.9
239.17860	4.2
245.15456	3.9
247.16934	16.2
249.14792	6.3
259.16965	7.5
267.21115	4.4
323.18536	2.7
389.32016	9.6
407.33099	94.9
409.30942	9.4
421.30945	14.4
423.32709	6.2
425.34100	19.0
435.32675	60.9
439.32086	6.9
449.30112	3.5
453.33606	54.8
457.33200	3.2
467.31842	18.1
471.34528	9.4
485.32391	8.5
604.31055	3.0
682.31091	9.4
683.30933	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67408	0.3
51.65661	0.4
57.07069	0.4
67.05479	0.6
69.26804	2.3
69.27208	1.0
79.05518	0.4
81.07030	0.4
83.08594	0.4
91.05502	0.4
92.82455	0.4
93.07037	0.5
95.08601	0.5
97.41405	0.3
106.08823	0.3
109.10217	0.5
149.02286	0.3
185.04240	0.8
203.05333	1.7
243.27425	0.3
256.26691	0.4
259.08005	1.3
333.24878	0.4
347.09460	1.1
365.10437	3.2
421.13159	1.2
515.31909	20.5
677.37158	100.0
678.37598	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05508	15.6
57.03440	8.1
57.07068	4.8
61.02930	20.8
65.03938	4.6
67.05506	85.8
69.03434	3.5
69.07061	14.9
69.55479	14.1
71.04990	3.1
73.02911	7.5
79.05048	3.9
79.05494	52.2
81.03403	4.9
81.07059	97.3
83.04986	3.1
83.08612	9.2
85.02899	22.3
85.06544	2.8
91.03967	24.5
91.05480	31.2
93.07049	64.0
95.04981	3.7
95.08611	75.2
97.02877	13.7
97.06522	5.9
97.10159	5.2
105.07029	24.8
107.08593	35.7
109.02849	3.2
109.10151	38.4
117.07036	11.6
119.08606	14.7
121.10138	36.0
123.08028	3.6
123.11718	20.0
127.03912	7.8
129.07040	2.9
131.08556	22.1
133.10127	19.7
135.11696	30.9
137.13281	10.3
145.04985	8.9
145.10109	18.0
147.11664	14.0
149.13258	21.0
151.11205	3.8
151.14865	2.5
159.11676	15.2
161.13286	15.3
163.06017	9.3
163.14787	14.8
171.11746	2.6
173.13264	15.2
173.46588	2.5
177.16405	8.3
179.14273	2.4
185.26184	2.2
187.14819	9.5
201.16254	3.0
203.50581	2.2
233.22682	2.9
243.21127	32.4
261.22153	100.0
271.25226	2.4
279.23132	7.0
335.25809	30.4
340.53180	2.3
353.26926	38.2
390.28290	2.1
492.77762	2.7
497.31216	6.2
585.79877	2.2
677.31140	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	679.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03426	1.3
61.02927	3.3
64.99148	0.5
67.05505	2.6
69.03425	1.8
69.07079	0.5
70.80350	1.4
73.02920	3.6
73.09606	0.5
75.53907	0.5
76.86803	0.5
78.74886	0.5
79.05489	3.3
81.03422	3.6
81.07056	3.0
83.04991	1.7
83.08602	0.6
85.02911	4.8
91.03949	1.7
91.05473	4.8
93.07034	2.1
95.04960	2.0
95.08603	0.7
97.02896	3.3
97.06476	0.5
99.04443	0.7
101.02385	1.2
105.07058	3.4
107.04963	1.4
107.08592	0.7
109.02887	0.8
111.04491	0.6
116.55897	0.5
119.08574	2.5
119.44092	0.5
121.10123	0.6
127.03927	1.1
129.07025	1.0
131.08597	1.4
133.10147	1.6
147.11674	1.1
149.09534	0.5
152.13092	0.5
157.10205	1.5
175.11180	1.3
185.04167	0.6
193.12274	1.4
226.19191	0.5
233.11620	0.9
243.08418	2.2
251.12489	1.1
451.19534	6.9
469.20383	5.6
650.08936	0.7
666.51862	0.5
679.32935	100.0
680.33191	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	677.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67157	0.5
53.03936	1.2
55.05505	1.2
56.41106	0.5
57.03430	1.7
61.02926	4.1
63.92137	0.5
67.05505	2.0
69.03439	2.4
71.05002	1.0
71.61519	0.6
73.02917	2.4
75.04472	0.6
79.05495	3.3
81.03418	3.2
81.07059	2.8
83.04967	1.5
83.08625	0.9
85.02908	4.8
91.03957	2.2
91.05486	5.0
93.07030	3.3
95.04977	1.6
95.08627	1.4
97.02885	4.2
99.04455	1.5
101.02378	1.6
105.07026	3.0
106.24132	0.6
107.04970	1.4
107.08620	1.7
109.02844	0.6
109.06474	0.7
111.11655	0.5
119.08606	1.7
121.10146	0.9
123.08080	0.5
124.84887	0.5
127.03945	1.2
129.06999	0.6
131.08624	0.9
133.10144	2.9
135.11687	0.7
145.10168	1.4
147.11703	1.1
157.10193	1.2
163.11162	2.5
169.74178	0.5
170.50099	0.5
179.99593	0.6
196.14323	0.5
243.08472	2.0
267.16156	0.6
451.19339	9.3
462.30637	0.5
467.18961	4.9
534.60950	0.6
677.31403	100.0
678.32092	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11198	2.3
55.05511	15.4
57.03428	11.3
61.02948	2.7
67.05506	29.9
69.03429	4.6
69.07072	10.9
71.04989	4.4
71.61092	3.7
77.65224	2.5
79.05491	37.2
80.92506	2.7
81.03420	51.6
81.07060	34.1
83.04987	24.8
83.08609	14.3
85.02914	11.4
91.05482	55.5
93.07059	22.5
95.04971	20.2
95.08635	12.3
97.02953	3.4
97.06501	4.0
97.10156	2.4
105.07033	30.4
107.04935	18.5
107.08593	6.3
109.06518	4.1
111.08117	5.3
114.38122	2.4
117.07044	3.2
118.81480	2.6
119.08583	20.3
121.10183	9.0
123.08082	3.1
129.06956	13.2
131.08568	16.4
133.10112	27.7
142.07846	3.3
145.10095	5.9
147.11688	18.3
149.09641	5.8
157.10110	21.5
163.11191	3.1
175.11172	15.5
193.12256	34.9
193.13867	3.9
194.48738	2.6
211.13295	42.4
254.53294	2.7
267.15930	100.0
275.20129	4.0
285.16946	21.0
459.27444	76.4
477.28522	65.0
621.19238	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	672.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
57.03438	5.5
57.07077	26.0
67.05502	32.6
69.07066	21.0
69.51064	17.4
71.04977	6.1
71.08630	20.1
71.62280	2.2
79.05495	23.8
81.07053	46.1
83.04956	2.4
83.08607	15.3
85.10165	10.2
89.05988	6.3
91.05467	11.7
93.07020	16.9
95.08598	28.0
97.06524	6.6
97.10154	10.6
105.07005	9.7
106.98801	2.3
107.04884	2.1
107.08575	9.2
109.10154	14.8
114.42162	2.1
117.07024	4.4
119.08551	8.1
121.06515	2.7
121.10117	7.4
123.11681	5.4
125.09618	4.3
131.08499	5.7
133.10117	7.2
135.11740	3.4
145.10034	3.2
147.11577	2.9
149.09624	3.6
149.13226	5.3
159.11603	3.8
185.13161	2.4
198.97891	2.9
208.90462	2.3
227.12749	8.1
229.14346	8.5
239.17751	3.1
257.19116	4.2
275.20044	14.5
313.27322	25.1
344.38370	2.6
349.23727	10.8
466.94391	2.6
467.37045	5.3
507.40430	100.0
508.41144	3.8
575.35626	2.8
587.46417	10.1
619.49023	7.9
672.46118	8.5
673.46228	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	673.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.06814	1.0
57.07078	13.8
60.03625	0.7
67.05502	3.3
69.03424	0.8
69.07056	2.6
71.08633	13.3
71.61812	0.9
73.06561	3.5
79.05493	1.9
81.07059	3.2
83.08621	2.7
83.26470	0.7
85.10184	7.6
87.04477	3.2
89.06039	38.1
90.06365	1.4
91.05481	2.8
93.07055	1.8
95.04958	1.1
95.08616	1.8
97.10191	2.0
99.11776	1.0
107.07085	1.1
107.08607	1.6
109.10181	1.0
111.04541	0.8
117.07107	0.9
117.09147	2.8
121.10162	1.1
127.14820	1.3
130.08679	0.9
131.08514	1.2
133.08611	22.6
134.08913	1.0
137.09546	0.7
146.59074	0.8
147.11781	0.9
177.11234	7.9
178.11623	1.1
190.36360	0.8
251.34540	0.7
285.27988	2.8
286.28397	0.7
371.22919	0.9
379.21237	0.9
459.28000	1.2
506.31439	0.8
522.79944	0.8
523.17462	2.2
524.18304	1.6
541.19055	4.1
556.21014	1.9
599.22845	1.4
642.24518	3.3
656.70709	0.8
672.53131	1.3
673.26367	100.0
674.27069	2.4
693.69159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17204	1.8
61.94517	1.7
67.05466	2.7
69.03410	2.4
71.61725	2.2
73.02882	2.1
81.07034	3.7
85.02897	2.1
91.05479	3.4
93.07030	3.9
94.52993	1.9
95.08600	2.4
108.08164	3.6
109.10185	2.6
138.05481	1.9
139.47450	1.8
145.08850	3.2
148.07539	15.2
158.09599	5.1
159.10439	3.5
161.08395	1.9
170.09657	2.7
172.11218	2.7
176.10684	2.7
185.11920	2.4
188.10780	12.0
197.10768	2.3
197.43225	1.9
198.09329	2.1
199.09966	2.5
200.14299	6.5
211.08730	3.5
213.10097	4.9
225.10326	4.9
225.13826	2.6
227.11696	2.8
228.13855	10.8
229.09685	2.1
239.08127	14.7
239.11865	4.8
253.09782	4.6
253.13387	10.6
255.11330	2.8
255.80127	2.1
271.14432	2.3
281.12793	8.3
287.10318	2.6
313.15463	24.9
394.13992	3.6
434.16653	3.3
454.15750	3.3
476.27985	2.2
511.31464	2.9
521.17328	2.4
581.23737	3.6
597.23553	2.2
609.23236	21.7
613.25256	6.8
623.25427	3.2
641.25983	100.0
673.28271	4.9
673.39313	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91264	0.6
53.03934	1.0
55.05518	4.4
57.03447	3.6
57.07077	33.9
57.80538	0.7
61.02926	14.2
67.05173	0.6
67.05508	11.1
69.03430	1.6
69.07072	7.7
71.04994	0.9
71.08634	32.5
73.02927	4.6
75.04468	2.5
79.05485	1.8
81.03418	2.4
81.07060	16.8
83.08625	12.3
85.02907	16.3
85.10183	17.0
89.06057	0.7
91.03962	12.7
91.05478	1.8
93.07026	3.0
95.05008	1.1
95.08609	23.2
96.08949	0.8
97.02883	7.7
97.10170	5.2
98.20724	2.0
99.04446	1.3
99.11731	1.1
103.07573	0.9
105.07023	1.0
107.08592	1.3
109.02860	0.9
109.10165	10.6
111.11720	1.7
119.08615	1.2
123.11720	3.9
125.13245	1.0
127.03924	6.3
131.08546	1.3
133.10120	0.9
137.13280	1.7
145.04970	6.4
147.11620	0.6
151.14787	1.0
163.06006	11.5
174.34813	0.6
221.22662	0.9
229.43614	1.0
239.23712	21.8
257.24829	4.1
313.27371	100.0
314.27759	2.2
331.28439	29.6
332.28882	0.9
395.18427	0.8
672.41504	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	672.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.6
55.68871	1.1
56.57524	1.0
57.07077	29.0
67.05515	2.5
69.07066	5.3
69.72312	6.7
71.05003	1.3
71.08633	29.2
73.06554	10.2
78.54228	1.0
79.05510	1.1
81.07069	2.5
83.08640	3.5
83.38137	1.0
85.10190	18.0
87.04475	8.7
89.06034	100.0
93.07051	1.7
95.04312	1.0
95.04948	0.9
95.08636	1.4
97.10162	4.9
99.11761	2.5
107.07096	2.8
109.10184	0.9
111.11749	3.0
113.13323	1.7
117.09130	7.3
125.13248	1.6
127.14852	1.5
130.08656	2.5
131.07053	2.7
133.08609	53.0
135.10208	1.6
141.16513	1.5
161.11751	1.7
170.57405	1.1
175.09744	2.4
177.11212	22.0
177.12611	1.3
197.22723	1.1
221.13863	3.5
236.97795	1.2
239.70700	1.2
241.25250	1.8
258.50839	1.0
283.17545	1.3
285.27896	5.1
297.28561	1.1
327.20212	1.6
329.30554	3.7
415.25107	1.6
459.28009	3.8
541.18744	1.3
576.04041	1.1
651.42377	1.0
655.50098	3.1
672.52429	2.7
673.26331	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	672.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.2
55.05503	14.1
56.20605	2.9
57.03426	10.6
58.33738	2.6
65.03898	3.5
67.05501	26.8
69.07063	8.8
69.40153	3.0
71.04982	5.6
71.62055	5.4
78.71473	2.8
79.05495	34.2
81.03416	17.5
81.07060	31.0
83.01364	6.2
83.04983	21.3
83.08620	7.6
85.02941	4.6
91.05480	39.1
93.07043	27.4
94.45297	2.8
94.62305	2.7
95.04961	9.0
95.08607	12.4
97.02861	5.5
97.06582	3.2
103.04870	3.0
105.07024	28.3
107.04965	20.2
107.08578	11.8
109.06503	7.3
109.10162	4.5
111.08017	3.1
117.06995	6.3
119.08582	16.0
121.06476	3.5
121.10140	9.3
123.08098	8.3
129.07001	11.9
131.08554	13.1
133.10150	16.2
135.08084	3.1
135.11684	6.8
145.10118	10.0
147.11684	12.3
153.12718	5.2
157.10152	11.4
163.11130	19.7
175.11200	10.9
193.12219	8.4
193.84097	3.0
209.11803	3.7
254.21172	3.1
267.15924	66.3
283.15436	29.8
347.64450	3.9
457.25989	8.7
475.26926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.5
57.03455	3.3
57.07079	35.3
61.02635	0.8
61.02926	12.3
67.05513	10.0
69.03439	1.8
69.07072	7.6
69.18910	0.6
70.91026	0.7
71.08636	31.6
73.02912	5.2
75.04472	1.6
78.04695	0.6
79.05515	0.9
81.03374	0.8
81.07059	13.6
83.04974	0.7
83.08189	1.0
83.08630	10.8
85.02910	13.2
85.06539	0.7
85.09706	1.1
85.10188	16.0
89.06028	0.7
90.48944	0.6
91.03957	10.6
91.88325	0.7
93.07074	0.8
95.08037	1.4
95.08611	19.2
95.09222	1.0
97.02892	7.2
97.10174	5.4
98.21492	1.6
108.20090	0.7
109.10165	10.7
111.11694	1.3
111.56689	0.7
114.53293	0.7
115.03951	1.2
123.11731	3.8
125.13256	0.8
127.03913	4.5
137.13260	1.6
140.92380	0.7
145.04959	5.3
163.06009	10.3
165.16371	0.8
167.44940	0.7
197.37694	0.7
229.13350	0.8
239.21289	1.4
239.23715	23.9
257.24786	4.3
313.27377	100.0
314.27695	2.7
331.28433	24.8
447.81125	0.8
475.32684	1.6
657.25342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.5
55.01883	4.8
55.05511	19.2
55.74265	2.5
55.99955	2.5
57.03435	8.0
57.07081	51.1
67.05504	38.0
69.03430	19.5
69.07072	17.8
71.05008	8.8
71.08633	29.4
79.05493	24.2
81.03419	92.3
81.07059	53.2
83.04988	16.8
83.08626	29.0
85.02908	15.8
85.06572	2.7
85.10191	15.3
91.05471	26.2
93.07059	17.4
95.04967	17.9
95.08611	36.5
95.09155	3.2
97.02901	17.5
97.06551	5.3
97.10188	8.8
98.20770	6.7
99.04493	7.1
99.08087	2.6
105.07011	18.2
107.04969	6.2
107.08604	7.2
108.20075	2.3
109.02874	19.3
109.10155	17.3
111.04472	9.2
111.08131	9.3
115.54568	3.6
117.07034	4.9
119.08598	13.3
121.10180	8.9
122.53475	2.3
123.11750	10.0
125.09616	2.5
127.03923	11.9
129.05544	2.4
129.07054	8.8
131.08627	10.6
133.10173	8.9
143.08464	3.6
145.10136	4.9
147.08156	4.0
147.11697	16.5
149.09662	4.7
157.10165	7.8
159.11743	2.8
165.12823	7.2
175.11287	8.8
181.12321	4.7
191.10690	3.8
193.12259	37.6
211.13310	51.8
227.12718	5.9
229.70343	2.6
231.13947	2.8
232.81258	3.0
239.23744	13.8
267.16058	8.3
273.14951	2.8
313.27356	31.5
337.16541	3.4
355.17801	12.1
393.19418	3.1
411.20349	9.5
505.38998	8.3
523.40076	19.5
642.59686	3.2
649.43970	3.8
667.44287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53622	1.5
55.05503	1.9
66.99635	1.5
67.05494	6.4
71.61554	2.1
79.05502	5.3
81.07053	5.4
91.05493	2.9
93.07059	2.5
95.08614	5.4
105.07047	2.5
107.08589	2.2
111.03120	1.4
116.57893	1.5
119.08626	1.6
120.12180	1.4
121.10142	1.5
160.42294	1.9
250.51167	1.8
287.15128	1.5
333.20422	13.9
362.16232	1.5
389.22842	5.6
430.54318	1.7
506.22659	1.5
667.45483	100.0
668.45532	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	671.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
60.16961	1.0
67.05493	2.5
69.07061	1.3
79.05526	1.5
81.03436	1.0
81.07047	3.9
84.71629	0.9
91.05486	2.5
93.07061	2.3
95.08609	2.4
105.07048	1.5
109.10173	1.5
117.50317	1.2
119.08579	1.4
121.10134	2.2
131.08440	1.2
133.10120	1.2
137.05995	2.0
184.07379	1.5
199.02199	2.3
217.03233	3.2
273.02170	1.1
316.81311	1.2
451.36176	1.1
495.34412	16.3
536.37097	2.1
542.14093	1.1
671.37659	100.0
672.38074	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	667.3296
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.05535	1.3
55.38865	1.0
57.03432	1.8
60.45887	0.9
61.02938	5.1
67.05512	4.2
69.03428	3.0
71.04987	1.3
71.61327	0.9
73.02910	2.3
79.05490	4.2
81.03426	3.1
81.07053	3.7
83.04997	1.7
85.02918	3.6
87.04439	1.4
91.03959	2.7
91.05493	3.0
93.07055	4.1
95.04980	3.1
97.02903	3.6
97.06523	1.1
99.04398	1.2
105.07050	2.3
107.08624	3.0
109.06553	1.4
113.38457	1.1
119.08652	1.5
124.86896	1.3
129.06970	1.2
133.10162	1.2
135.08107	1.3
135.11720	4.0
145.10178	2.0
147.11775	1.2
181.12082	1.0
182.16106	1.0
237.18947	1.0
243.08430	1.9
251.12610	3.2
251.68251	1.1
363.23831	1.1
439.19409	9.2
469.20413	8.1
613.40070	1.1
667.32947	100.0
668.33691	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.33
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03939	0.5
55.01867	0.4
55.05516	0.9
57.03437	1.5
61.02668	0.4
61.02931	3.6
61.69038	0.3
67.05510	3.6
69.03430	2.9
69.07059	1.2
69.94728	1.6
71.01353	0.6
71.05030	0.5
72.51680	0.3
73.02920	2.9
79.05499	3.5
81.03426	3.0
81.07069	3.2
83.04984	1.1
83.08624	0.6
85.02910	4.5
85.06530	0.4
91.03957	2.5
91.05472	2.4
93.07052	4.5
95.04978	1.3
95.08627	1.4
97.02900	4.2
97.06536	0.9
97.10168	1.6
98.20762	0.3
99.04459	0.8
101.02415	1.6
105.07034	1.7
107.04961	0.4
107.08609	2.6
109.02902	0.7
109.10153	0.8
111.08083	0.8
115.03928	0.5
117.07027	0.5
119.08619	1.5
121.06516	0.4
121.10178	0.8
123.11721	0.4
127.03925	1.4
131.08575	0.8
133.10165	1.4
135.11710	4.5
145.04987	0.4
145.10123	0.9
147.11754	0.6
149.09627	0.5
157.10130	0.7
163.11249	0.6
175.11279	0.7
181.12244	0.6
185.04153	0.3
193.12241	1.0
203.05247	0.5
221.11555	0.8
243.08350	2.2
251.12668	0.9
255.15900	0.6
277.14227	0.5
317.67755	0.4
330.25708	0.3
439.19437	10.4
468.20392	0.3
469.20502	5.0
505.27783	0.5
552.01178	0.4
667.32996	100.0
668.33301	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	665.3896
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.05503	9.7
57.03420	4.1
57.07086	5.7
67.05480	15.9
69.03416	6.1
69.07062	8.0
69.78686	22.5
73.02929	4.0
73.29890	3.7
79.05488	16.3
81.07052	45.1
83.04989	10.1
83.08590	6.0
91.05484	23.8
93.07047	46.7
95.01315	9.1
95.04976	6.7
95.08025	5.9
95.08602	62.3
101.90677	4.9
105.07026	45.4
107.08595	80.2
109.06525	10.0
109.10167	43.1
111.08083	7.6
117.07005	10.2
119.08586	70.7
121.09399	5.6
121.10157	49.1
123.08060	8.3
123.11674	12.8
125.09631	39.2
131.08560	33.2
133.10121	45.8
135.11693	23.6
137.09589	5.4
141.01823	12.3
143.08536	14.8
145.10132	60.7
147.08031	4.4
147.11693	23.5
149.09660	5.3
149.13264	11.2
151.11259	8.1
153.09010	4.6
157.10104	11.5
159.11691	58.8
161.13269	20.3
163.14780	8.8
171.11752	12.8
173.13280	24.6
175.14857	22.0
175.73056	5.2
177.16351	10.9
183.11621	4.6
185.13211	4.8
187.14819	51.4
189.12674	5.1
189.16383	40.7
191.14337	12.4
191.17941	13.4
199.14804	13.4
201.16400	72.9
203.17960	12.2
205.15849	11.6
211.14703	5.2
213.16426	26.6
215.17961	34.7
217.15927	8.6
219.17413	36.4
227.18011	4.9
233.18913	5.7
235.16884	16.2
243.20921	4.0
246.84483	4.1
247.16948	22.6
255.21086	6.0
261.18484	15.9
267.21082	7.1
341.24792	5.0
389.32001	12.7
395.29288	4.8
407.33109	95.0
409.34662	7.9
423.32590	9.8
435.32742	41.0
443.73865	4.0
453.33679	100.0
665.30872	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
56.15562	1.9
56.58267	1.8
57.07079	2.6
59.32360	1.8
63.49958	2.0
66.85822	1.8
67.05498	8.1
69.07067	7.8
70.04636	7.2
73.02925	4.8
73.40260	1.8
79.05495	6.6
81.07051	15.6
83.08602	7.1
85.02908	14.6
91.05482	5.6
93.07031	16.8
95.01326	33.8
95.08604	39.4
99.00821	4.4
103.03957	4.2
105.07021	18.0
107.08591	36.4
109.10145	20.9
111.08067	8.9
113.02337	3.3
119.08578	32.6
121.10141	33.3
123.11690	15.2
131.08572	7.7
133.10126	30.5
135.11667	17.4
137.05975	4.4
137.13260	4.5
141.01828	100.0
143.08559	5.6
145.10121	14.2
147.11700	23.3
149.13240	11.8
157.10115	2.6
159.02869	12.1
159.11690	15.8
161.13271	12.2
163.14803	8.0
168.64079	2.2
171.11720	3.8
173.13254	9.4
175.14842	17.8
177.16403	21.6
183.11586	1.9
187.14828	15.2
189.16385	29.3
191.17989	12.0
199.14703	2.5
201.16382	17.7
203.17961	42.0
205.15868	55.9
205.19450	3.2
207.17482	10.1
213.16359	3.9
215.17935	27.3
217.19562	4.1
219.17494	2.6
221.19000	9.4
235.16908	5.9
243.21043	4.1
247.16977	14.7
249.18530	9.2
261.18546	19.6
262.18945	2.4
267.21188	2.5
269.22656	2.6
280.83698	2.3
313.25259	3.9
314.65204	2.1
391.33777	12.0
391.37991	2.7
409.34607	42.7
411.32443	5.0
425.34134	10.7
437.34174	83.5
438.34399	2.4
455.35190	19.5
567.36719	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	666.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
53.15831	4.4
55.05511	24.7
57.03435	8.4
57.07084	23.1
67.05505	93.2
69.07063	37.2
69.53489	23.4
69.53909	8.6
69.73965	3.8
71.08612	12.9
79.05483	43.5
80.64580	4.0
81.07055	98.4
83.04974	12.9
83.08620	21.7
85.10158	7.2
86.09653	4.2
91.05473	43.7
93.07037	48.1
95.04965	7.2
95.08595	52.5
97.06524	7.4
97.10152	10.4
98.21385	8.8
99.08060	6.0
105.07023	32.0
107.04946	6.5
107.08575	31.5
109.10165	24.7
111.08079	5.6
117.07022	11.0
119.08570	17.6
121.10104	14.9
123.11701	8.6
125.09716	4.7
131.08560	8.1
133.10144	23.8
135.11621	7.7
147.11646	7.0
149.13277	10.9
151.11186	13.4
159.11682	8.5
172.12277	4.3
173.94852	4.5
221.54207	3.9
229.89024	4.7
257.19296	4.7
269.17508	11.5
273.18433	7.7
277.21564	9.0
291.19550	16.8
328.08182	6.7
329.08444	8.4
330.08591	5.2
337.27350	45.2
341.26880	8.8
351.25418	8.0
385.15054	5.5
393.22806	7.1
441.20731	6.1
491.37036	9.9
497.26984	7.2
528.84064	4.7
531.40460	100.0
554.33588	16.5
610.39709	9.7
613.48236	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58318	4.6
55.05507	9.7
57.03388	4.4
61.02903	5.3
62.47271	4.5
63.43039	4.5
67.05500	13.0
69.03423	6.2
71.35039	8.3
73.02910	5.1
79.05470	13.9
81.03405	12.5
81.07044	19.6
83.08610	6.8
85.02898	16.1
91.05470	22.2
93.07021	18.4
95.01328	14.8
95.04967	8.6
95.08614	32.8
97.02894	11.7
105.07037	30.3
107.08592	32.7
109.10174	22.2
111.04494	6.3
117.06982	5.1
119.08602	38.0
121.10119	16.8
125.05920	4.2
131.08572	8.0
133.10123	32.8
135.11710	11.7
141.01834	31.0
143.08495	7.0
145.10129	19.3
147.11697	19.6
149.13255	21.7
157.10162	8.8
159.11725	11.0
161.13239	13.8
163.14807	8.2
171.11627	7.4
173.13269	14.6
175.11293	4.7
175.14799	7.9
177.16328	12.0
183.11711	6.5
185.13228	8.7
187.14784	16.6
189.16383	13.7
197.13297	6.8
199.14742	7.6
201.16330	22.6
203.14388	6.0
203.17889	13.3
205.15840	16.3
207.17389	10.4
213.16289	8.1
243.08551	5.5
247.16940	8.4
314.70663	4.6
358.58698	5.4
389.31805	6.9
395.29279	5.9
407.32974	10.4
435.32443	19.8
453.33560	15.3
469.20270	7.3
665.31158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86894	0.5
55.05503	1.4
57.03427	1.7
57.42910	0.5
57.78393	0.6
61.02925	3.8
67.05507	3.3
69.03429	2.9
69.07069	1.1
69.24097	5.3
71.01359	1.2
71.04996	1.2
73.02910	2.4
74.66062	0.5
79.05495	3.4
81.03415	2.1
81.07070	2.7
83.08650	0.9
85.02908	4.3
87.49651	0.5
91.03970	2.7
91.05491	1.7
93.07023	4.1
95.01365	0.7
95.04961	0.9
95.08614	1.4
97.02880	3.3
97.06552	0.9
97.10189	0.9
99.04470	0.8
101.02409	1.1
105.07031	1.3
107.04958	0.8
107.08608	2.1
109.06551	1.0
110.73299	0.6
115.03986	0.7
115.96587	0.6
117.07041	0.7
119.08576	1.9
121.10149	1.7
123.08095	0.8
126.20235	0.5
127.03903	1.6
132.36395	0.5
135.11685	4.1
141.01813	0.8
145.10152	2.3
147.46536	0.5
163.11227	2.1
181.12297	0.9
209.11684	0.6
243.08401	1.4
356.79169	0.6
439.19455	5.3
467.18896	7.6
481.07489	0.6
579.73169	0.7
665.31403	100.0
666.31067	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	665.3895
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
54.58318	4.6
55.05507	9.7
57.03388	4.4
61.02903	5.3
62.47271	4.5
63.43039	4.5
67.05500	13.0
69.03423	6.2
71.35039	8.3
73.02910	5.1
79.05470	13.9
81.03405	12.5
81.07044	19.6
83.08610	6.8
85.02898	16.1
91.05470	22.2
93.07021	18.4
95.01328	14.8
95.04967	8.6
95.08614	32.8
97.02894	11.7
105.07037	30.3
107.08592	32.7
109.10174	22.2
111.04494	6.3
117.06982	5.1
119.08602	38.0
121.10119	16.8
125.05920	4.2
131.08572	8.0
133.10123	32.8
135.11710	11.7
141.01834	31.0
143.08495	7.0
145.10129	19.3
147.11697	19.6
149.13255	21.7
157.10162	8.8
159.11725	11.0
161.13239	13.8
163.14807	8.2
171.11627	7.4
173.13269	14.6
175.11293	4.7
175.14799	7.9
177.16328	12.0
183.11711	6.5
185.13228	8.7
187.14784	16.6
189.16383	13.7
197.13297	6.8
199.14742	7.6
201.16330	22.6
203.14388	6.0
203.17889	13.3
205.15840	16.3
207.17389	10.4
213.16289	8.1
243.08551	5.5
247.16940	8.4
314.70663	4.6
358.58698	5.4
389.31805	6.9
395.29279	5.9
407.32974	10.4
435.32443	19.8
453.33560	15.3
469.20270	7.3
665.31158	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
62.15319	1.4
69.03424	6.4
71.04984	1.6
71.61353	1.6
71.61806	2.6
73.02954	2.0
74.20089	1.5
78.04700	2.2
79.05494	1.7
81.03400	7.2
81.07055	1.7
82.04188	1.5
85.02907	19.9
91.05488	1.8
97.02912	8.5
98.49526	1.7
99.04446	11.7
103.03954	16.5
103.05467	2.4
107.04929	4.9
109.02872	7.0
115.05454	3.3
117.07026	6.5
123.04433	3.3
125.05904	1.8
127.03915	25.3
137.05980	22.4
143.04912	2.5
145.04945	14.3
145.06470	7.1
151.03842	1.9
155.06061	4.0
160.05255	2.6
163.05962	4.1
167.07033	100.0
173.05978	18.4
175.07538	16.1
181.04964	26.5
187.06058	1.8
187.07559	6.7
205.08612	5.7
209.15277	2.5
217.08644	2.4
233.08104	6.8
235.09645	4.8
243.11363	2.2
291.10107	2.4
341.13962	2.1
387.14310	9.1
399.14563	3.7
417.15488	17.6
458.75223	1.5
587.59399	1.7
605.12445	1.7
621.21057	2.1
665.20648	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
57.03428	3.1
61.02926	2.7
66.64307	2.4
69.03433	17.4
70.63602	4.9
70.63954	6.0
71.04980	6.2
73.02912	5.4
77.62501	2.5
81.03405	19.5
85.02906	65.7
89.68606	2.9
91.05502	3.8
93.07033	5.1
97.02899	32.2
99.04455	47.7
103.03949	81.8
107.08604	4.1
109.02867	18.7
115.03933	3.2
115.05443	5.2
122.03641	4.8
127.03918	100.0
129.07025	3.5
137.05983	77.0
143.04883	4.8
145.04959	69.0
151.07559	5.5
157.06546	4.1
160.05182	10.4
163.03896	2.9
163.06064	20.2
163.07368	3.5
167.07077	6.4
172.05194	3.2
175.07538	70.1
181.04932	2.8
187.06065	6.4
187.07526	26.5
189.09114	8.7
191.63109	3.0
204.06490	4.6
205.08577	13.7
212.78877	2.7
217.08598	4.0
233.08090	3.0
235.09596	8.3
246.69122	2.8
248.08585	3.2
271.09848	4.6
291.10162	9.4
302.13913	2.9
303.13251	4.7
311.12442	3.6
321.14554	3.9
323.12881	9.7
341.13821	11.6
474.15701	3.0
480.25961	3.1
524.19873	6.1
615.24170	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	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06614	0.3
52.13243	0.3
53.03923	0.9
55.01858	0.5
55.05502	0.4
57.03442	0.6
58.29552	0.3
61.90444	0.3
65.03917	0.9
67.05511	0.7
67.39893	0.3
67.74151	0.2
69.03423	3.2
69.40927	2.3
71.04955	0.8
73.02895	0.7
78.04712	2.1
79.05470	1.3
81.03425	2.4
81.07034	0.3
82.04184	0.7
83.15246	0.3
85.02908	4.2
87.00819	0.7
91.05466	1.2
93.03368	0.3
95.04966	1.6
97.02880	1.5
98.97553	0.3
99.04429	0.9
103.05425	1.0
105.01846	0.4
105.07047	0.5
106.04173	1.5
107.04958	2.0
109.02869	2.2
110.03629	0.8
111.04450	0.4
115.05450	3.2
117.07021	5.0
119.08540	0.3
121.02870	0.3
121.06506	0.3
123.04429	5.7
124.05240	1.8
125.05954	0.4
127.03925	2.3
127.05427	0.7
129.07050	0.3
131.04921	0.4
133.06517	0.3
134.03557	0.5
137.05957	0.5
138.03114	0.4
142.02591	0.4
144.05659	0.4
145.05138	0.5
145.06476	9.5
147.08018	0.6
151.03886	1.0
152.04631	1.7
153.05437	0.9
155.06052	3.3
161.06075	0.4
161.13338	0.3
162.04352	0.4
165.30664	0.3
167.07037	100.0
168.07408	0.9
171.06520	1.0
173.05983	18.0
174.06412	0.4
175.07498	0.9
177.05566	0.3
179.06924	0.3
181.04953	23.9
187.05994	0.5
187.07559	0.4
191.07094	0.6
199.07545	0.3
201.05487	0.8
203.07022	0.4
205.08582	3.9
207.06520	0.8
217.08574	1.0
219.01868	0.5
219.10201	0.3
233.08070	4.4
235.07341	0.7
235.09631	4.2
245.08018	0.6
247.09668	0.7
259.09726	0.8
263.09131	0.8
275.09225	0.6
277.10712	1.1
302.34540	0.3
305.10254	0.7
307.09537	0.3
323.08368	0.4
337.10751	0.6
339.12332	0.4
367.11847	1.2
369.13345	0.9
381.13324	0.8
383.14920	1.0
387.14362	9.5
395.14810	1.8
399.14334	3.1
400.14682	0.3
407.36105	0.3
411.14453	0.8
413.16025	0.4
417.15445	20.9
418.15961	0.4
419.13467	0.4
423.14743	0.6
429.15540	0.4
441.15399	0.9
450.16742	0.5
455.65692	0.3
459.16367	1.6
502.81558	0.3
507.26544	0.4
579.20770	1.2
621.21564	1.5
665.20715	17.0
666.20996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01839	5.2
55.05503	28.0
57.03442	9.4
57.07079	12.7
67.05509	83.1
69.07069	35.3
69.70384	4.2
70.78272	8.4
70.78611	5.0
71.04988	7.7
79.05496	46.4
81.07056	100.0
83.04975	9.6
83.08603	19.1
83.61964	4.5
90.67586	5.0
91.05492	44.2
93.07044	58.6
95.04987	13.8
95.08607	64.0
97.06554	5.3
97.10188	8.9
105.07058	31.5
107.04926	4.9
107.08587	31.4
109.06538	6.0
109.10165	22.5
111.08086	7.4
117.07028	17.3
119.08595	28.7
121.10155	15.3
123.08047	6.4
123.11721	6.2
129.06937	4.5
131.08566	20.4
133.10123	25.4
135.11691	17.3
145.10097	12.5
147.11665	7.1
149.13261	11.1
159.11742	8.0
161.13261	5.4
163.11157	4.9
173.13261	6.1
177.12791	6.5
195.13742	6.0
239.17986	7.2
243.36765	4.4
255.15952	10.5
257.18890	6.9
262.89056	4.5
263.23724	6.8
269.17545	12.1
275.20187	25.3
286.75461	4.9
327.07797	9.6
328.08118	5.3
337.27411	72.9
349.23703	15.2
383.14142	5.9
440.20386	5.9
462.34763	5.6
474.37662	5.1
496.26736	11.8
517.39044	14.4
531.40393	58.0
552.32874	7.7
571.43652	13.6
582.23846	4.4
608.39368	8.1
611.46490	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	663.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.7
55.05511	18.0
57.03428	7.8
67.05501	22.2
67.69129	5.4
69.03426	8.0
69.07071	16.5
70.59370	5.6
70.67754	13.9
79.05489	24.6
81.07066	53.9
83.04969	17.0
83.08636	10.1
85.02878	9.8
85.06541	7.0
91.05470	22.9
93.07050	43.2
95.04956	6.5
95.08607	81.5
97.06486	11.5
97.10170	8.1
105.07036	45.5
107.08594	85.6
109.02905	6.4
109.06514	10.5
109.10139	48.8
111.08075	11.1
117.06991	15.7
119.07779	8.0
119.08582	100.0
120.73844	5.4
121.10141	41.1
122.53307	6.5
123.08043	8.3
123.11703	18.7
125.09624	17.7
131.08601	39.6
133.10112	55.4
135.08055	9.1
135.11662	30.1
135.69803	6.1
137.09550	7.9
143.08545	20.5
145.10120	75.6
147.11668	43.3
149.09615	9.9
149.13255	14.9
157.10170	30.5
159.11716	63.2
161.09605	5.9
161.13213	28.6
163.07462	6.5
163.14862	13.8
165.09143	6.3
169.10120	6.8
171.11703	23.0
173.13272	53.6
175.14864	36.6
177.16417	14.4
183.11719	15.8
185.13223	33.2
187.14819	76.0
189.16338	29.3
191.14381	14.3
195.11659	7.3
197.13202	16.4
199.14787	50.9
201.16374	65.2
203.14278	14.5
203.17975	14.3
204.74249	7.3
205.15823	28.5
211.14801	11.6
213.16420	29.4
215.18068	7.9
217.16008	9.2
219.17474	13.6
227.17975	8.7
233.15384	9.4
239.18111	6.7
241.19440	10.9
245.15289	8.0
247.16930	8.7
253.19525	8.6
259.16971	9.5
279.21057	7.4
405.31567	62.9
407.32849	22.1
423.32477	20.0
433.31210	29.0
441.33649	14.0
451.32092	92.0
469.33191	33.4
487.34137	6.9
509.98508	7.3
619.38165	9.8
631.27161	6.9
633.27618	7.0
663.24933	13.3
663.39301	13.2
672.06897	6.8
693.58923	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.0
53.36434	7.0
55.01867	8.0
55.05507	34.6
57.03433	16.2
57.07071	20.3
59.97013	6.0
64.11710	6.0
67.05506	100.0
69.07072	33.1
70.42962	5.5
71.61213	5.7
71.61673	10.0
79.05487	78.5
81.07062	78.7
83.08606	15.4
85.06551	5.7
86.27856	5.2
87.04468	79.1
89.06006	5.8
91.05491	58.2
93.07045	67.6
95.04979	10.8
95.08598	62.4
97.06558	9.3
97.10198	7.8
105.07030	44.2
107.08585	38.9
109.06497	5.8
109.10153	22.5
117.07024	27.9
119.08550	39.6
121.10142	31.5
125.09667	5.7
131.08601	19.7
133.10149	28.5
135.08035	8.1
135.11716	17.8
143.08592	6.9
145.10133	18.9
147.11664	20.7
149.09563	7.4
149.13307	10.1
159.11707	21.3
161.13260	11.2
173.13321	6.7
183.11780	6.7
185.13277	7.8
193.29456	5.9
202.47934	5.4
222.29091	5.5
227.12836	15.1
257.19037	10.6
261.22308	9.7
275.19928	29.0
277.21774	5.9
286.64368	6.7
311.71521	6.1
335.25772	71.9
349.23672	19.2
431.55661	6.3
468.77954	6.7
489.35776	14.9
609.45294	28.3
662.45520	13.2
663.47028	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01867	3.9
55.05511	31.5
57.03220	1.8
57.03439	17.3
57.07065	8.5
65.03918	4.2
67.05507	100.0
69.03421	2.8
69.07063	28.5
69.78110	1.6
71.04987	3.0
71.62053	2.1
75.54509	2.0
79.05050	3.9
79.05495	74.9
81.03408	5.4
81.07060	92.2
83.04961	8.0
83.08195	1.8
83.08623	12.6
85.06544	5.4
87.04468	26.3
91.05487	65.7
92.99146	1.8
93.06457	4.4
93.07050	89.2
94.06516	2.0
95.04959	11.9
95.08610	57.4
97.06536	14.8
97.10166	4.8
99.08142	2.3
105.04541	2.3
105.06364	3.3
105.07031	43.3
107.04948	2.6
107.08604	46.2
109.06514	6.3
109.10155	26.7
109.74097	1.7
111.08088	3.6
115.05437	2.5
117.07030	19.0
119.08582	35.1
121.06512	4.2
121.10142	26.4
123.08083	3.9
123.11687	7.9
125.09595	2.5
129.06987	7.4
131.08566	29.0
133.10139	25.1
133.15494	2.0
135.08037	3.5
135.11702	20.5
137.09549	5.0
141.07013	2.2
142.32545	2.6
143.08560	8.0
145.10115	16.3
147.11688	15.6
149.09622	4.7
149.13292	11.9
151.11111	2.2
157.10121	5.6
159.11702	14.2
161.13263	6.4
163.11166	4.7
163.14771	3.4
165.12704	2.4
169.10085	3.3
171.11682	4.4
173.13226	8.9
175.11261	2.0
175.14857	4.6
177.12730	3.8
181.12291	2.1
183.11763	3.0
185.13278	4.4
187.14850	3.8
191.14294	2.3
195.13776	3.7
197.13335	3.5
199.14816	2.5
205.00676	2.0
219.17563	2.1
229.14401	4.9
235.17078	2.3
239.17976	3.9
247.20332	1.9
255.16034	5.1
257.19003	7.4
259.20737	2.7
261.22171	7.1
269.17331	9.2
275.20120	17.9
277.21799	2.7
291.19482	3.3
293.21335	1.9
297.17236	1.8
309.20657	3.3
313.21115	2.1
317.24728	2.8
331.22864	2.6
335.25800	63.6
336.26312	2.2
349.23755	13.6
367.20123	1.8
367.24951	2.8
482.65347	2.0
489.35806	5.2
515.37402	5.7
529.38947	43.9
543.40961	2.2
569.42261	16.3
570.84045	2.3
609.45123	11.2
627.45313	3.1
662.44684	3.2
663.47650	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	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01864	2.9
55.05516	15.0
56.96552	1.2
57.03184	1.2
57.03439	18.1
57.07063	0.9
59.04977	1.1
61.02914	3.7
65.03934	1.9
65.65428	0.9
67.05508	41.9
69.03433	5.1
69.07069	14.5
71.01337	2.1
71.05003	6.0
71.11745	1.1
73.02913	1.8
79.05499	41.9
80.42635	0.8
81.03419	42.7
81.03904	2.1
81.07060	31.8
83.04985	16.0
83.08142	1.0
83.08622	18.2
85.02411	1.3
85.02909	19.2
85.06545	4.4
87.38100	0.8
91.03936	1.0
91.05482	32.6
93.07047	45.1
95.04974	17.8
95.08609	11.7
97.02875	3.8
97.06532	13.6
97.10176	10.7
98.97532	0.8
99.04420	1.4
99.08092	2.2
105.06362	1.5
105.07034	19.2
107.04956	6.4
107.08598	30.3
109.06570	4.5
109.07167	1.0
109.10162	6.9
111.04415	1.7
111.08088	6.5
113.06004	1.8
115.05454	0.9
117.07044	4.4
119.08584	16.2
121.06516	2.9
121.10163	10.1
123.08060	1.9
125.09589	3.8
129.07014	7.8
129.39679	0.8
130.07768	1.1
131.08588	7.6
133.06454	1.2
133.10115	9.4
135.07996	1.0
135.11693	44.0
137.09593	2.8
142.07779	1.8
143.08501	1.3
145.10115	7.5
147.07997	2.1
147.11694	10.2
149.09628	4.1
149.13263	1.4
153.12761	2.6
157.10155	8.1
163.11182	7.2
165.12781	1.9
173.13231	1.5
175.11188	10.2
181.12224	10.8
193.12256	28.4
199.13292	1.6
211.13297	38.6
239.38821	0.9
249.14754	1.9
255.15935	100.0
256.16269	1.9
267.15912	22.2
285.16965	27.3
421.25620	2.5
447.27426	38.7
448.27707	1.3
465.28503	98.1
466.28775	1.3
609.31415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3775
Annotation	(-)-Umbellamine
Peak:m/z	Relative Intensity
55.05517	0.8
59.04986	0.5
67.05505	1.9
69.03450	1.0
69.07071	1.3
71.62159	0.6
73.02903	0.6
73.08038	0.4
79.05495	1.2
81.07052	3.5
83.04984	0.7
83.08624	0.7
85.02895	1.1
85.06558	1.2
89.51829	0.5
91.05494	1.1
93.07051	2.2
95.04995	0.9
95.08620	3.3
96.39475	0.5
96.53683	0.4
97.02928	0.8
97.06531	0.8
103.05434	0.5
105.07040	1.2
107.08605	2.1
109.06555	0.5
109.10177	2.2
119.08583	1.4
121.06524	1.4
121.10152	1.3
123.04411	0.5
123.08091	0.8
123.11674	0.6
131.08588	0.6
133.10132	1.3
135.11691	0.8
137.05997	1.2
137.13332	0.8
139.07578	0.6
141.05513	0.6
145.10146	0.8
147.11736	1.1
151.07535	1.0
153.05472	0.7
155.07040	1.0
167.07103	2.0
167.10559	0.5
173.09669	0.5
181.05078	0.6
214.58705	0.5
275.07581	0.9
335.09683	0.8
399.15317	0.7
445.33340	1.3
463.34665	2.7
481.35599	2.3
499.36716	0.8
529.33398	2.4
631.36810	4.2
661.37775	100.0
662.38019	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	662.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05499	9.1
57.03433	7.9
60.21074	1.7
67.05504	28.4
69.03440	1.9
69.07076	9.4
71.05007	5.1
79.05485	25.6
81.03413	9.7
81.07053	18.2
83.04990	9.8
83.08617	5.6
85.02917	2.8
85.06538	2.6
87.97875	1.8
90.72398	1.7
91.05489	18.6
93.07047	28.7
95.04974	13.7
95.08624	9.6
97.06526	8.0
97.10168	5.9
100.04319	2.1
105.07030	13.3
107.04967	2.9
107.08600	24.0
109.06495	3.4
109.10162	3.7
109.62373	2.1
117.07020	3.6
119.08582	8.0
121.10148	6.0
125.09649	2.1
129.07018	3.6
131.08575	3.1
133.10150	7.1
135.08038	5.0
135.11694	25.8
145.10141	4.7
147.08046	3.3
147.11662	6.2
151.11203	6.6
157.10136	4.1
163.11188	6.4
165.12840	2.9
168.07431	2.0
175.11191	6.1
178.88995	1.9
181.12280	5.7
192.81302	2.0
193.12251	11.7
211.13283	6.8
255.15945	27.6
256.16306	2.2
267.15903	7.2
285.16989	11.2
289.40164	2.1
293.90826	2.2
447.27438	20.2
465.28510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05505	8.2
57.03434	9.6
61.02924	2.3
63.30315	1.2
67.05502	23.5
69.03414	1.8
69.07063	7.5
71.01356	1.6
71.04984	3.2
71.62074	2.1
73.02914	1.5
79.05493	26.3
79.08237	1.0
81.03399	3.8
81.07058	16.1
83.04977	5.9
83.08631	6.5
85.02882	3.1
87.55865	1.5
91.05485	11.5
93.07044	34.3
95.04975	4.7
95.08605	22.5
97.02890	2.5
97.06509	6.6
97.10154	5.3
99.04446	2.3
99.08088	1.7
105.07037	5.6
107.04950	5.3
107.08597	27.7
109.06530	1.7
109.10149	4.4
110.86941	1.1
111.04417	1.3
113.41317	1.1
117.07007	7.3
119.08572	8.3
121.06474	3.0
121.10143	10.4
125.05986	1.9
130.07768	1.4
131.08484	1.4
133.10129	3.4
135.11691	44.3
137.09644	1.6
145.10118	19.8
153.12750	1.7
163.11186	36.1
181.12248	9.6
227.12787	40.4
236.23926	1.2
255.15924	58.5
258.74542	1.2
283.15402	35.2
461.28015	1.3
463.26904	100.0
464.27167	1.7
640.87500	1.3
648.34943	1.4
654.49829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40529	0.9
53.03936	1.5
55.01862	2.7
55.05508	12.5
57.03439	11.5
57.07085	1.0
58.10364	0.9
59.04989	1.4
61.02926	2.2
65.07961	0.8
67.05508	20.8
69.03441	1.3
69.07069	7.0
69.29726	1.1
69.83597	2.2
69.84004	4.0
71.01353	2.8
71.04996	3.9
75.77375	0.9
79.05494	25.1
79.05951	1.2
81.03416	9.6
81.07056	15.9
83.01356	3.0
83.04991	8.7
83.08614	7.7
85.02897	4.3
85.06524	1.1
87.10346	0.9
91.05489	12.4
92.88841	0.8
93.07043	32.3
95.04987	4.7
95.08585	6.1
97.02906	2.5
97.06551	6.7
97.10173	5.9
99.04446	2.6
105.07041	4.3
107.04951	4.5
107.08597	18.9
109.06501	4.8
109.10159	3.8
111.04417	1.6
111.08098	2.1
117.07042	4.9
119.08595	5.6
121.06515	2.7
121.10181	6.7
123.08064	3.7
125.05923	1.1
129.07047	1.0
130.07745	1.1
131.08565	1.9
133.10121	3.1
135.08046	1.8
135.10664	1.9
135.11693	31.8
137.09587	1.3
145.10123	13.2
147.08080	1.0
153.12764	2.4
163.11183	15.0
168.66467	1.1
172.51518	0.9
181.12206	6.3
209.11740	4.5
227.12779	2.6
255.15921	52.2
265.14203	1.3
283.15387	36.8
341.67224	1.2
445.26050	3.4
463.26929	100.0
464.27112	1.2
495.83795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3843
Annotation	Russelioside C
Peak:m/z	Relative Intensity
55.01866	2.5
55.05510	7.9
57.03437	3.1
57.07058	3.1
59.04982	1.1
59.13342	0.9
61.02910	2.5
63.57638	1.1
65.03947	1.5
67.05504	15.7
69.03429	10.9
69.07066	18.5
70.72707	2.8
71.01332	0.9
71.04993	1.6
73.02900	2.1
79.05483	7.7
81.03413	2.7
81.07055	34.9
83.01316	2.1
83.04980	1.9
83.08626	5.2
85.02897	14.5
85.06541	7.3
87.04472	1.7
88.04054	1.0
91.05464	5.5
93.07037	12.2
95.01342	1.6
95.04932	2.5
95.08028	2.0
95.08603	24.5
97.02901	6.0
97.06529	4.8
97.10146	2.6
99.00804	9.2
99.04440	4.8
99.08067	1.8
100.52404	1.0
103.05524	1.2
105.07022	4.3
107.04891	1.1
107.08609	11.4
109.02859	3.1
109.06504	3.6
109.10146	15.0
111.11712	1.6
112.67103	1.0
113.02351	1.5
115.04736	1.3
117.06982	1.4
119.08559	4.9
121.06516	2.2
121.10165	6.6
123.04392	1.1
123.08070	1.9
123.11720	7.7
125.05996	1.9
125.09658	2.4
125.65807	0.9
127.03910	3.8
131.08549	2.2
133.06456	1.2
133.10133	2.6
135.08055	1.7
135.11691	3.5
137.05960	5.7
137.09634	1.7
137.13261	1.1
139.07504	2.3
145.04951	1.2
145.10121	1.3
147.11696	3.3
147.28151	1.1
149.02402	1.3
149.06065	2.4
149.13261	3.4
151.07538	5.4
153.05482	4.9
155.07011	1.9
157.10126	1.5
159.11658	2.2
161.05994	1.7
161.09669	2.2
163.03922	3.1
163.07571	2.9
163.11198	1.6
165.09088	2.9
167.07066	3.3
171.07983	2.2
175.07532	3.9
175.11153	1.9
177.05498	9.2
177.09149	2.7
179.10698	1.6
180.10211	2.4
181.04938	15.8
181.10498	1.8
183.06526	5.3
189.09108	16.6
189.12755	1.2
191.07074	2.6
191.10684	2.1
195.06531	38.9
201.09132	1.1
203.10622	2.2
205.08569	2.0
207.06532	3.3
207.10045	1.4
209.08093	15.1
215.10646	1.5
217.12279	1.3
221.08154	3.5
223.09625	24.7
223.20605	1.4
226.09958	1.2
231.10162	1.5
233.11748	1.0
235.09641	3.9
237.11208	24.3
245.15434	1.2
247.09706	1.5
249.11205	17.0
251.12767	5.3
257.15442	1.3
259.16586	1.4
261.11118	3.6
263.12787	2.7
265.14386	2.4
275.12787	2.3
277.14444	2.4
289.14490	1.7
291.15909	4.9
291.18826	1.2
293.17426	2.5
303.16003	1.2
305.17426	5.1
307.18967	5.2
317.17410	5.7
319.19043	3.3
331.19247	1.6
335.18649	5.1
347.22040	1.3
375.25214	2.9
391.24374	1.6
402.55170	1.1
441.30380	4.9
459.31082	60.7
460.31537	1.6
477.32126	100.0
478.32635	1.8
495.33173	89.1
496.33539	1.6
519.36414	1.1
613.31500	1.2
657.38751	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	655.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35443	0.8
53.03941	1.8
55.01858	1.3
55.05504	6.0
57.03415	1.9
57.07072	1.4
59.04982	1.0
61.02926	1.2
65.03912	0.8
67.05506	7.3
69.03431	8.2
69.06727	0.8
69.07069	15.1
69.93378	1.1
69.93791	3.1
70.06570	1.0
71.04984	1.7
71.56714	0.8
73.02892	1.4
79.05493	4.6
81.03410	4.4
81.06630	1.2
81.07057	14.4
81.90923	0.9
83.01324	1.5
83.04951	2.2
83.08598	2.3
84.49616	0.9
85.02899	9.7
85.06535	2.4
86.09726	0.8
87.04445	0.8
91.05480	4.1
93.07045	8.4
95.01308	0.9
95.04937	2.7
95.08608	10.0
97.02901	4.0
97.06522	2.7
97.10168	1.6
97.59077	0.8
98.21496	1.1
98.97575	1.0
99.00806	2.9
99.04443	2.7
103.05431	0.9
105.07029	5.7
107.04929	3.2
107.08604	5.7
109.02868	2.4
109.06514	2.4
109.10158	9.2
111.04428	1.9
111.08089	1.8
111.11709	1.8
113.02454	0.7
115.05449	0.9
117.07004	1.5
119.04957	1.1
119.08579	4.2
121.06536	1.1
121.10158	3.8
123.04398	1.2
123.08051	1.9
123.11708	4.2
125.05974	1.3
125.09614	1.7
127.03904	2.5
127.11195	1.2
131.08557	2.0
133.10120	3.7
135.08025	2.1
135.11674	2.4
137.06001	4.2
137.09584	2.2
139.07558	2.1
139.11118	1.9
139.22523	0.8
143.08537	1.3
145.04984	1.0
145.06415	1.1
145.10078	2.1
147.11681	3.3
149.05995	1.2
149.09608	1.5
151.07510	2.7
151.11183	0.9
153.01819	2.1
153.05463	1.6
153.12857	0.8
155.07083	1.5
157.06454	0.7
157.10155	1.3
159.08090	1.1
159.11673	2.2
161.05956	1.9
161.09554	1.0
161.13295	1.5
163.03899	1.6
163.07535	2.9
163.11159	1.7
165.09138	4.1
165.12766	1.3
167.06995	4.8
171.11621	1.2
173.13234	1.0
175.07556	2.5
175.11069	1.3
177.05434	3.0
177.88757	0.8
179.07004	1.2
179.10634	1.9
181.04938	7.4
181.08505	1.1
182.50351	0.8
183.06561	2.9
189.09111	3.6
191.06992	1.7
191.10622	1.4
193.04932	1.0
193.08595	1.0
193.12263	1.4
195.06509	17.3
195.10138	1.5
203.10649	2.4
205.08630	1.7
205.12206	2.5
207.06549	1.4
209.08044	7.6
209.11726	0.8
215.14157	1.2
217.08496	0.8
217.12172	1.2
219.06490	0.8
219.10211	1.0
221.08022	3.0
223.09633	9.3
225.16278	0.7
231.13849	0.9
235.09676	2.0
237.11229	6.5
241.08536	0.9
245.08298	1.2
249.11221	3.3
251.12712	2.2
263.12863	1.9
271.09573	1.0
275.12497	0.9
289.14471	1.3
291.15796	3.1
303.16037	1.2
305.17413	8.0
307.18930	2.8
315.15958	1.1
319.18976	4.1
333.17087	1.6
377.23019	1.0
445.29312	1.7
457.29703	6.3
475.30508	18.8
493.31638	100.0
494.31543	3.0
504.81586	0.8
543.77203	0.9
564.85455	0.9
637.33496	1.2
655.38116	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	657.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05510	7.9
57.03437	3.1
57.07058	3.1
59.04982	1.1
59.13342	0.9
61.02910	2.5
63.57638	1.1
65.03947	1.5
67.05504	15.7
69.03429	10.9
69.07066	18.5
70.72707	2.8
71.01332	0.9
71.04993	1.6
73.02900	2.1
79.05483	7.7
81.03413	2.7
81.07055	34.9
83.01316	2.1
83.04980	1.9
83.08626	5.2
85.02897	14.5
85.06541	7.3
87.04472	1.7
88.04054	1.0
91.05464	5.5
93.07037	12.2
95.01342	1.6
95.04932	2.5
95.08028	2.0
95.08603	24.5
97.02901	6.0
97.06529	4.8
97.10146	2.6
99.00804	9.2
99.04440	4.8
99.08067	1.8
100.52404	1.0
103.05524	1.2
105.07022	4.3
107.04891	1.1
107.08609	11.4
109.02859	3.1
109.06504	3.6
109.10146	15.0
111.11712	1.6
112.67103	1.0
113.02351	1.5
115.04736	1.3
117.06982	1.4
119.08559	4.9
121.06516	2.2
121.10165	6.6
123.04392	1.1
123.08070	1.9
123.11720	7.7
125.05996	1.9
125.09658	2.4
125.65807	0.9
127.03910	3.8
131.08549	2.2
133.06456	1.2
133.10133	2.6
135.08055	1.7
135.11691	3.5
137.05960	5.7
137.09634	1.7
137.13261	1.1
139.07504	2.3
145.04951	1.2
145.10121	1.3
147.11696	3.3
147.28151	1.1
149.02402	1.3
149.06065	2.4
149.13261	3.4
151.07538	5.4
153.05482	4.9
155.07011	1.9
157.10126	1.5
159.11658	2.2
161.05994	1.7
161.09669	2.2
163.03922	3.1
163.07571	2.9
163.11198	1.6
165.09088	2.9
167.07066	3.3
171.07983	2.2
175.07532	3.9
175.11153	1.9
177.05498	9.2
177.09149	2.7
179.10698	1.6
180.10211	2.4
181.04938	15.8
181.10498	1.8
183.06526	5.3
189.09108	16.6
189.12755	1.2
191.07074	2.6
191.10684	2.1
195.06531	38.9
201.09132	1.1
203.10622	2.2
205.08569	2.0
207.06532	3.3
207.10045	1.4
209.08093	15.1
215.10646	1.5
217.12279	1.3
221.08154	3.5
223.09625	24.7
223.20605	1.4
226.09958	1.2
231.10162	1.5
233.11748	1.0
235.09641	3.9
237.11208	24.3
245.15434	1.2
247.09706	1.5
249.11205	17.0
251.12767	5.3
257.15442	1.3
259.16586	1.4
261.11118	3.6
263.12787	2.7
265.14386	2.4
275.12787	2.3
277.14444	2.4
289.14490	1.7
291.15909	4.9
291.18826	1.2
293.17426	2.5
303.16003	1.2
305.17426	5.1
307.18967	5.2
317.17410	5.7
319.19043	3.3
331.19247	1.6
335.18649	5.1
347.22040	1.3
375.25214	2.9
391.24374	1.6
402.55170	1.1
441.30380	4.9
459.31082	60.7
460.31537	1.6
477.32126	100.0
478.32635	1.8
495.33173	89.1
496.33539	1.6
519.36414	1.1
613.31500	1.2
657.38751	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	655.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01865	1.1
55.05508	4.4
55.92543	0.4
57.03426	1.5
57.07061	1.1
57.87580	0.4
59.04985	0.8
61.02915	1.6
65.03890	0.5
66.94756	0.4
67.01819	0.4
67.05508	5.2
69.03428	6.1
69.07071	17.3
70.06583	0.5
71.01388	0.4
71.04993	1.6
71.61984	0.8
73.02917	1.0
78.28282	0.4
79.05493	3.5
81.03414	3.2
81.07056	10.9
83.01335	0.9
83.04984	1.0
83.08622	1.9
84.04511	0.4
85.02905	8.7
85.06544	1.2
91.05481	2.3
93.07036	4.2
95.01335	0.6
95.04971	1.1
95.08607	4.7
97.02882	3.7
97.06535	1.2
97.10163	0.9
99.00819	3.3
99.04448	2.5
105.07030	2.9
107.04935	0.8
107.08588	3.9
109.02889	1.4
109.06521	1.6
109.10159	5.1
111.04472	0.7
111.08042	1.0
111.11736	1.7
113.02412	0.6
115.03838	0.4
117.07037	0.5
119.08592	2.7
121.06531	0.6
121.10137	3.2
123.04456	0.6
123.08060	1.0
123.11703	2.6
125.05952	0.8
125.09625	0.9
127.03942	1.6
127.11183	1.0
131.08530	1.1
133.06499	1.3
133.10123	2.2
135.04410	1.2
135.08035	0.9
135.11699	1.4
137.05983	2.4
137.09648	0.7
139.07584	0.9
139.11185	0.8
143.08553	0.6
145.04915	0.5
145.10150	1.6
147.08040	0.5
147.11693	1.8
149.02446	0.4
149.06035	0.7
149.09615	0.7
149.13217	0.8
151.07512	2.6
151.11195	0.6
153.01892	0.6
153.05486	1.2
155.07039	1.6
159.08084	0.7
159.11708	0.9
161.05998	1.5
161.09659	0.6
161.13284	0.5
163.03894	1.8
163.07556	1.4
163.11214	0.7
165.09093	2.2
167.07013	2.4
171.11722	0.7
173.13214	0.5
175.07526	2.1
175.11197	0.7
177.05492	1.9
177.09097	1.4
179.10707	0.7
181.04941	6.5
181.06473	0.5
183.06528	3.5
189.09116	2.9
191.07045	1.5
191.10674	0.9
193.10132	0.5
193.12274	0.6
195.06529	15.9
195.11656	0.5
201.09088	0.5
203.10724	1.5
205.08528	0.6
205.12299	1.2
207.06519	1.4
209.08089	8.9
215.10701	0.5
219.10207	0.5
221.08058	2.8
223.09642	10.1
223.11603	0.9
229.12375	0.5
231.06601	0.5
231.13902	1.2
235.09695	2.3
237.11227	6.8
243.10275	0.6
245.15358	0.7
249.11270	4.5
251.12872	1.6
255.13794	0.8
263.12836	1.3
265.14340	0.6
268.19482	0.5
289.14435	1.0
291.15897	3.5
303.16080	0.6
305.17453	6.5
307.19034	4.1
315.15921	1.3
317.17719	0.4
319.19104	3.5
333.17148	1.5
377.23300	0.8
439.28564	0.7
457.29474	2.6
475.30670	9.0
493.31622	100.0
494.31934	2.0
582.37653	0.6
655.37354	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	651.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	24.5
55.01863	20.0
55.05518	28.7
56.96564	6.4
57.03429	16.6
67.05502	86.5
69.03414	27.1
69.07056	16.9
69.59344	43.9
71.04993	16.0
74.82507	6.4
77.36782	5.8
77.43476	5.2
79.05488	87.1
81.03414	100.0
81.07058	70.2
83.04971	45.8
83.08614	14.5
85.02894	16.5
85.34911	5.5
85.70528	5.8
91.05477	81.7
93.07048	84.1
95.04961	25.5
95.08598	38.3
97.02891	27.4
97.06523	15.1
97.10142	13.7
98.21443	10.6
99.04453	10.2
105.07027	64.6
107.04946	25.8
107.08590	36.6
109.02847	15.4
109.06475	12.9
109.10156	15.6
111.04417	17.4
111.08065	8.1
117.07004	24.2
119.08614	34.9
121.06488	7.7
121.10109	18.6
123.08028	15.0
127.03908	18.9
129.05569	7.0
129.06982	25.4
131.04936	6.2
131.08562	21.6
133.10094	20.5
135.11682	28.3
143.08572	15.4
145.06433	9.4
145.10144	35.3
147.07951	9.3
147.11670	27.0
153.12675	15.5
160.34471	6.0
161.09639	10.2
161.13220	13.0
163.11162	28.8
171.11655	26.0
173.13141	6.6
175.89334	6.1
181.12241	11.3
189.12674	14.4
191.10645	10.7
207.13835	33.2
209.11630	8.5
227.12781	27.1
233.15230	6.4
281.17480	37.8
283.15436	34.2
353.16031	12.0
421.27133	15.8
425.21799	7.9
427.19611	30.3
471.27148	27.6
489.28702	30.6
489.34500	6.6
633.32684	53.6
651.33228	6.1
657.65192	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	654.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
54.14482	2.4
55.01892	2.6
56.96557	2.3
59.50042	2.0
61.62523	2.0
69.03427	14.1
71.04993	17.1
71.61968	3.4
79.05483	3.0
81.03406	13.0
81.07050	4.5
85.02901	16.1
85.48717	2.3
89.06036	91.6
91.05538	2.3
95.04954	2.1
97.02891	46.7
98.00141	2.3
99.04474	6.1
103.05472	2.7
103.55151	2.0
109.02920	16.0
115.03956	2.2
115.05475	5.2
121.10168	3.2
123.04496	3.2
125.06009	3.4
127.03928	19.7
129.07004	4.6
131.04964	5.3
131.08508	2.5
135.06543	9.6
137.05981	89.6
137.07059	4.5
143.04945	10.1
145.04950	17.0
153.05470	2.8
157.06541	4.7
160.05179	16.2
163.03891	6.2
165.05559	2.3
174.06667	2.6
175.06013	5.1
175.07545	100.0
187.07561	33.7
189.09119	10.5
205.08624	24.2
217.08653	5.2
219.10031	5.3
235.09697	25.8
239.07092	2.8
250.58929	2.5
261.09717	9.1
271.09726	6.3
279.10608	3.1
291.10226	5.1
311.12955	3.1
323.12787	8.1
325.14392	2.6
341.13901	15.5
349.35281	2.7
370.51328	2.4
419.99780	2.3
461.88339	2.0
506.40747	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	651.2814
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
57.03438	1.2
63.45906	1.2
66.91956	1.0
67.05494	3.7
69.64317	6.8
79.05522	1.1
80.62646	1.1
81.07053	1.8
83.08631	1.5
91.05511	1.7
93.07055	2.0
95.08604	5.5
97.10181	1.1
105.07014	1.5
107.08576	1.1
109.10141	1.6
121.10147	1.3
121.45585	1.2
124.33025	1.1
125.70789	1.0
184.07271	1.7
215.12784	2.0
229.14348	1.4
313.27194	1.3
318.41782	1.1
335.25851	1.0
377.18027	1.4
386.15179	1.7
397.14493	1.2
398.77490	1.0
399.15863	1.5
400.16913	1.6
401.17523	3.1
407.22272	2.6
413.17560	3.8
414.18341	4.1
415.19391	10.4
425.17441	1.4
427.19904	1.6
428.19986	3.3
429.21167	9.6
430.21317	1.9
443.18253	4.3
443.22714	4.0
444.18954	3.6
444.23666	2.8
445.20316	1.7
447.18130	1.3
453.35345	1.3
455.18460	1.2
456.19238	2.2
457.20779	5.1
458.20883	4.8
461.19427	1.3
462.20551	2.1
471.22128	8.3
472.23096	7.7
473.19702	4.6
474.20328	2.2
485.19571	3.5
486.20557	7.5
487.21164	3.7
489.22562	1.7
490.19952	3.6
499.21222	10.2
500.21970	3.8
503.24747	4.9
516.21808	1.4
517.22424	8.7
521.25378	2.5
527.20691	2.2
531.23883	16.1
549.25146	5.0
559.23431	98.7
560.23193	3.1
587.22760	15.2
619.25549	100.0
620.25555	2.5
651.27783	16.2
651.43738	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	651.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
63.96433	0.7
63.96744	0.6
64.73712	0.6
67.05486	1.7
69.03432	1.5
69.07058	0.9
70.51971	2.1
75.04983	0.6
78.98444	0.5
79.05487	1.2
80.15640	0.6
81.03421	0.6
81.07030	1.8
83.04980	0.7
85.02910	1.0
91.05466	1.8
93.07040	1.9
94.06545	1.2
95.05018	1.3
95.08599	2.4
98.21430	0.7
105.07014	1.8
107.08598	2.2
108.08118	1.6
109.10146	1.2
110.06049	1.6
119.08560	1.3
120.04472	0.6
120.08129	0.7
121.10151	1.0
122.06039	6.2
123.11734	0.8
124.07550	0.6
127.17753	0.6
131.08589	0.7
133.10118	1.0
134.05998	0.8
136.07570	2.5
137.05963	1.7
140.07088	1.2
143.08568	0.7
146.06006	2.1
147.11734	0.7
148.07555	1.0
158.09639	0.6
164.10733	1.0
165.09119	0.6
174.05449	1.1
174.09145	0.9
176.09470	0.7
187.08720	0.9
192.10257	1.6
199.08659	0.8
204.06583	1.1
211.08667	2.0
211.12428	0.6
211.76848	0.6
213.10223	2.1
214.11249	0.7
215.08099	0.8
215.11758	0.9
221.10916	0.8
222.11583	0.6
223.12387	1.0
224.09425	1.2
225.10265	2.3
226.11008	1.8
227.08296	0.8
227.11784	2.3
235.08704	1.4
235.12242	0.9
236.09485	1.5
237.10269	3.9
238.10982	1.4
239.11702	3.5
243.11240	0.5
245.12949	1.1
248.09340	1.0
249.10219	6.8
250.11021	2.7
251.11787	9.3
252.12593	1.7
253.09683	1.1
253.13318	3.4
255.11284	0.6
263.11783	8.0
263.14413	0.7
264.08981	0.7
264.12540	3.2
265.09775	2.0
265.13376	5.8
266.10455	0.7
266.14160	1.9
267.11377	1.3
267.14835	1.3
277.09686	0.8
277.13348	0.7
278.10327	0.8
279.11435	4.4
281.09601	1.1
281.12878	2.8
283.10794	1.1
284.11371	0.8
285.12430	1.8
287.13995	1.6
291.11200	1.4
292.11801	0.7
293.12860	2.5
295.10809	1.6
295.14304	1.0
296.11545	2.9
297.12329	5.3
298.12961	0.9
299.13992	1.4
301.13339	1.3
302.14011	1.1
303.14749	0.9
304.14468	1.4
305.15018	2.7
307.10751	0.7
309.12399	10.2
310.13028	2.2
311.13867	5.8
312.14694	1.1
313.11853	1.4
315.13879	0.6
316.14438	1.0
318.16101	1.6
320.14124	0.8
325.11880	1.4
331.13510	0.9
332.14017	1.5
332.17807	0.7
337.11880	2.2
338.12311	0.9
339.13538	2.3
344.13974	1.5
344.17618	0.7
345.14929	1.3
346.15607	2.7
348.17310	1.1
355.13110	0.9
357.14362	1.2
358.15408	1.8
360.17007	1.8
362.18896	0.7
369.14215	3.1
370.15063	0.8
371.16437	1.5
372.17163	1.1
377.17480	1.8
386.18671	1.6
387.16238	1.4
389.18216	0.7
390.18274	1.5
393.20633	0.9
404.19894	3.6
405.16833	1.4
406.17105	0.8
414.18185	1.6
417.17917	1.0
418.17709	0.7
419.17789	1.1
420.19119	2.0
432.19159	11.0
433.18057	1.2
434.20578	1.4
450.20264	38.3
451.21021	3.2
452.22028	1.9
460.19568	3.2
461.17392	0.7
478.19739	20.9
479.20508	1.6
492.21432	1.5
493.19293	0.8
510.22375	100.0
511.22690	3.6
573.27094	2.0
591.28162	15.1
601.26569	2.4
619.27759	16.0
651.29962	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40421	0.1
54.50084	0.1
55.05507	0.2
56.05044	0.9
56.05264	0.1
57.07065	0.2
58.06353	0.2
58.06620	0.4
60.07870	0.3
60.08166	6.1
67.05487	0.8
69.68484	0.6
69.68893	0.3
71.07372	3.7
81.07100	0.2
86.09705	29.0
98.98470	3.0
98.99133	0.3
104.10748	2.6
109.10130	0.3
125.00007	19.3
133.76932	0.1
143.01051	0.2
171.43292	0.2
179.47150	0.2
184.07339	100.0
185.07588	0.4
245.46536	0.1
650.43915	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	649.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
57.67299	6.5
61.94752	7.9
67.05502	23.2
69.07074	14.3
69.23906	23.3
69.24329	52.4
79.05480	19.8
81.07051	50.1
83.08621	6.5
85.02898	15.3
91.05479	18.3
93.07044	27.3
95.01329	23.5
95.08605	100.0
97.02895	8.1
105.07034	48.1
107.08603	68.8
109.10169	59.7
111.08089	13.1
119.08586	73.8
121.10135	43.6
123.11718	9.7
129.07071	7.1
131.08563	20.8
133.10123	52.8
135.11703	22.4
141.01843	66.4
143.08487	12.1
145.10146	50.1
146.34625	6.7
147.11693	47.3
149.13280	42.2
157.10231	13.5
159.02896	10.0
159.11717	30.6
161.13281	37.2
163.14810	18.2
169.10121	8.4
173.13213	15.6
175.14827	26.5
176.56738	8.1
177.16434	21.1
187.14774	35.6
189.16383	60.2
191.17929	10.6
201.16411	49.1
203.17964	58.8
205.15891	15.1
207.17397	14.9
211.25830	7.7
213.16426	11.5
215.17950	19.6
219.17412	7.9
222.61394	8.0
247.17055	18.6
249.18552	8.9
261.18600	7.8
275.19986	7.6
298.56671	6.5
345.50156	7.0
391.33789	18.3
395.20340	7.8
409.34625	29.1
416.10660	6.5
437.34253	60.9
455.34824	17.3
460.49979	6.4
567.36536	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	649.3944
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
52.42490	2.0
55.05514	4.6
56.96566	3.2
67.05506	9.9
69.03415	2.4
69.07060	9.6
71.61571	2.9
79.05497	10.5
81.03421	5.0
81.07060	16.5
83.08621	6.1
85.02891	3.5
85.06544	3.3
88.31874	1.6
89.58414	2.3
91.05492	14.4
93.07044	22.7
95.04959	2.5
95.08031	3.5
95.08612	43.9
97.10190	4.8
98.97591	5.5
99.08100	11.1
105.07031	25.4
107.08600	36.1
109.10163	21.4
117.06955	3.3
119.08592	41.0
121.10146	37.6
123.08066	3.4
123.11708	8.3
129.07033	2.4
131.08578	19.1
133.10139	31.3
135.11685	24.5
137.13258	3.7
143.08575	4.4
145.10106	23.9
147.11690	28.4
149.13278	11.1
157.10159	8.4
159.11687	17.0
161.13268	14.2
163.11259	2.7
163.14793	11.3
171.11729	3.2
172.12509	2.1
173.13271	14.4
175.14828	9.4
177.16389	3.5
185.13283	2.7
187.14854	22.1
189.16330	10.2
191.17958	100.0
196.05505	2.0
199.14769	3.7
201.16388	42.0
203.18007	20.7
205.19458	3.7
213.16362	5.8
215.17972	2.8
217.19501	11.6
219.17465	8.9
227.17899	3.8
229.19640	3.5
231.21092	4.8
247.16891	5.3
254.40367	2.3
265.18149	3.3
391.33572	4.4
409.34641	29.7
437.34399	14.5
455.35263	42.5
456.35962	2.8
649.32678	4.3
649.42847	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	647.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.7
62.40252	8.4
67.05512	26.8
69.07071	20.5
72.58597	9.7
73.70421	9.5
79.05486	24.4
80.55193	8.5
81.07067	53.9
83.08662	13.8
88.26943	10.5
91.05496	24.1
93.07043	42.8
95.01325	12.2
95.08607	89.7
98.20699	16.7
105.07023	56.1
107.08568	72.8
109.10149	46.4
111.08089	14.2
118.03841	8.0
119.08585	82.6
121.10143	39.0
125.09755	8.6
131.08560	37.6
133.10117	60.2
135.11687	33.1
141.01825	38.8
143.08591	15.0
145.10127	85.5
147.11664	40.8
149.13275	64.6
157.10127	23.0
159.11697	51.1
161.09558	9.6
161.13211	42.7
163.14896	10.3
171.11694	21.6
173.13286	29.3
175.14842	49.3
177.16377	43.2
185.13261	21.9
187.14836	29.6
189.09062	8.9
189.16418	64.8
191.17883	17.1
197.13254	11.9
199.14803	23.8
201.16370	100.0
203.18001	36.3
205.12207	11.7
205.15872	24.4
207.17482	30.2
210.87155	8.0
213.16362	17.7
215.18018	24.7
229.28622	11.2
233.19063	12.9
247.16951	45.6
283.48834	8.8
348.38159	8.9
389.31964	18.7
395.29477	17.3
407.33203	42.3
412.12085	10.9
423.32782	14.5
435.32614	50.2
453.33603	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	647.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.9
56.96552	3.7
57.03433	3.9
57.07061	6.3
57.98960	4.0
58.39014	3.4
60.18563	3.2
67.05502	17.9
69.03442	3.6
69.07071	20.4
69.36708	11.1
69.37133	24.4
73.02882	3.5
75.03132	5.2
79.05499	18.3
81.03417	5.3
81.07059	34.8
83.08624	11.1
85.02903	12.5
85.06538	5.1
91.05511	17.1
93.07036	40.4
95.01333	4.0
95.04955	4.2
95.08607	65.9
97.02869	4.8
97.06503	5.7
97.10145	4.5
98.97555	7.4
99.08109	49.2
105.07040	37.5
107.08599	57.4
109.06508	7.4
109.10152	41.4
110.32445	3.5
113.02329	4.3
114.49463	4.0
116.31018	4.6
117.06986	7.5
119.08592	75.9
121.02746	3.7
121.10144	48.5
123.08061	6.9
123.11687	12.9
129.07005	6.1
131.08549	21.1
133.10130	55.9
135.11693	44.2
137.09616	6.2
141.01833	5.5
143.08566	13.8
145.10114	49.1
147.08017	12.1
147.11719	46.1
149.09665	4.4
149.13255	16.5
156.09320	8.3
157.10141	15.7
159.11713	46.4
161.09657	4.4
161.13261	31.6
163.11163	6.9
163.14804	19.5
165.09123	14.0
169.10199	4.2
171.11674	12.8
173.13245	19.6
175.14807	31.3
177.16396	8.2
181.12253	6.9
183.11629	5.6
185.13272	9.2
187.14841	27.5
189.12790	10.1
189.16402	56.1
191.14320	18.3
191.17953	94.0
191.19586	7.8
199.14841	28.5
201.16389	28.8
203.14357	9.8
203.17931	27.4
205.12347	4.3
209.15326	4.4
213.16394	8.1
215.17909	8.6
217.15895	24.3
217.19521	20.3
219.17265	4.9
221.15375	13.8
237.14813	33.2
245.15413	17.2
247.16917	5.1
249.14856	7.9
255.21146	8.3
263.16422	100.0
389.32056	8.1
389.70282	4.0
407.32977	10.4
422.28320	4.6
423.28784	14.2
435.32657	39.1
453.33688	79.0
456.35413	4.0
478.14111	4.0
526.67798	3.8
565.29614	5.4
603.38635	14.2
647.39209	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	647.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.05501	12.6
55.66642	4.7
67.05483	20.7
68.23584	4.0
69.03430	5.6
69.07070	22.5
70.80566	14.5
73.02917	6.8
76.68742	4.8
79.05483	21.2
81.03397	5.9
81.07058	53.4
83.08627	5.9
85.02892	18.9
85.06545	5.9
91.05469	18.8
93.07057	30.9
95.01330	11.4
95.04984	5.2
95.08057	5.4
95.08609	62.5
97.02878	8.5
105.07022	56.1
106.77853	4.8
107.08602	57.2
109.10165	40.2
111.08083	10.5
117.06979	5.9
119.08579	76.2
121.10154	45.4
123.11698	10.7
128.82487	4.5
131.08572	39.4
133.10129	50.6
135.11711	27.1
137.05943	6.3
141.01843	35.2
143.08588	11.1
145.09023	6.5
145.10127	70.1
147.11697	48.6
149.13287	53.9
149.35077	5.0
151.16812	5.5
157.10059	13.2
159.11717	49.0
161.09676	5.8
161.13268	42.7
163.14810	16.8
169.10046	7.4
171.11673	11.8
173.13254	43.1
175.14830	49.7
177.16383	28.1
183.11737	12.4
185.13307	11.9
187.14813	40.4
189.16379	49.3
191.17947	12.2
197.13275	9.8
199.14896	24.0
201.12738	18.4
201.16391	100.0
203.14226	5.4
203.17972	28.6
205.12611	4.8
205.15848	20.2
207.17444	26.5
213.16394	22.3
215.17960	20.8
217.15768	5.3
219.13776	5.1
219.17345	7.7
224.82661	4.6
225.16441	6.4
227.18024	8.9
233.19032	9.1
237.16527	5.3
239.17685	4.5
241.19461	6.3
247.13330	7.9
247.16957	30.6
261.14697	8.0
263.74271	5.2
277.49979	4.7
349.28989	7.0
389.31995	14.9
395.29333	13.4
405.30957	5.0
407.33148	40.9
433.30908	6.4
435.32513	51.5
453.33838	27.5
467.31537	7.4
565.34570	8.1
588.59943	7.4
601.36804	14.1
647.37598	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	647.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.7
60.26800	8.2
67.05495	29.0
69.03415	8.7
69.07051	21.4
69.24510	97.2
70.71020	7.3
79.05499	20.8
81.03423	10.0
81.07058	44.8
82.29446	9.0
82.53876	8.1
83.08591	13.1
85.02882	18.9
86.35164	8.6
87.23724	8.1
91.05478	19.8
93.07047	48.9
95.01329	18.0
95.08606	74.2
105.07044	63.7
107.08599	81.1
109.10184	50.8
109.10815	7.9
119.08595	100.0
121.10178	41.0
123.11668	18.2
128.49731	8.5
131.08569	33.7
133.10141	52.7
135.11687	30.1
137.05923	11.0
141.01814	45.2
143.08643	12.4
145.10136	67.2
147.11694	65.9
149.13232	56.6
150.05846	8.7
157.10156	28.3
159.11671	58.2
161.13306	41.6
163.11148	8.5
163.14784	14.7
167.07021	9.8
171.11690	17.4
173.13271	46.5
175.14818	35.3
177.16370	26.7
183.11736	18.3
185.13341	10.3
187.14816	37.1
188.30565	9.0
189.16350	59.0
199.14822	19.3
201.16365	82.4
203.17947	41.1
205.15869	25.0
207.17381	16.6
207.58546	8.6
213.16389	13.4
215.17920	25.0
219.17593	9.9
229.19548	11.7
247.16957	25.9
299.19864	9.9
389.32239	15.9
395.29379	16.6
402.24942	8.8
405.31082	9.6
407.33133	44.8
435.32678	59.7
453.33334	30.1
647.36627	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	647.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.39911	0.4
55.01862	1.6
55.05513	0.6
65.03927	1.8
67.05505	2.5
69.03402	1.0
69.07056	1.1
71.01336	0.5
71.61429	0.8
73.02899	0.5
75.04468	1.0
77.51085	0.4
78.04704	2.1
79.05499	2.7
81.03410	1.3
81.07053	3.4
83.08609	0.5
85.02894	3.3
89.03957	0.7
91.05486	8.4
93.03400	5.0
93.07030	5.9
94.04252	0.5
95.04955	3.0
95.08620	3.2
96.54926	0.5
97.02874	0.6
97.06533	1.8
99.08080	1.2
103.05467	3.6
105.03397	0.7
105.04496	0.9
105.07032	5.7
106.04171	11.5
107.04926	2.6
107.08588	3.0
109.02906	0.7
109.06506	1.8
109.10147	2.0
110.03683	0.7
111.04443	0.9
111.08118	0.5
113.30637	0.4
115.05421	0.8
117.03360	0.6
117.06979	0.6
118.04141	0.7
119.04930	1.1
119.08568	2.4
120.05728	0.6
121.05624	1.0
121.06504	13.7
121.10133	1.9
123.04447	5.2
123.08051	1.2
123.11722	0.7
124.05199	1.7
125.06002	3.8
127.03912	0.9
131.04976	1.1
131.05923	0.5
131.08534	1.7
133.06480	3.9
133.10068	2.6
134.03630	1.9
135.04454	0.8
135.08051	0.7
135.11705	1.1
136.05212	0.6
137.05975	4.6
137.09587	0.9
138.06792	0.8
139.07536	1.9
143.08569	0.8
145.02885	0.7
145.10085	2.1
147.04448	0.9
147.08070	0.5
147.11697	2.0
148.05151	0.7
149.05975	21.0
149.13246	1.0
150.06781	0.8
151.03893	1.3
151.07513	2.7
152.04662	1.7
153.05457	2.0
153.09099	4.4
155.07118	0.8
157.10118	0.9
159.04399	0.8
159.11694	1.7
161.06015	3.0
161.13257	1.3
162.78416	0.5
163.03886	0.8
163.07549	1.7
163.14819	1.0
165.05490	1.8
165.09140	1.5
166.06265	1.7
167.07039	100.0
168.07475	0.9
169.10114	0.5
171.11674	1.1
173.13237	0.8
175.14847	1.4
177.05482	11.6
177.09126	0.6
177.16391	0.6
179.07022	1.2
179.10645	0.7
179.40446	0.5
180.07938	0.6
181.04976	9.4
181.08595	17.6
181.10185	1.1
187.14819	1.0
189.16385	1.7
191.07062	1.3
191.17928	1.2
193.04979	0.8
193.08611	9.1
195.06520	0.7
197.08197	0.7
199.14883	0.9
201.12755	0.8
201.16414	0.7
203.07068	0.7
203.14247	0.5
203.18011	0.6
209.08084	30.1
211.09657	41.9
212.10135	1.1
213.16371	0.6
217.15970	0.8
225.07582	4.8
226.08270	0.7
263.16208	1.0
283.66483	0.5
355.11676	0.5
381.53506	0.5
385.12885	0.7
407.09424	0.5
431.31189	0.8
433.26477	0.5
449.30957	0.9
453.33606	0.9
467.32278	0.6
505.18115	0.6
530.31219	0.5
557.74768	0.6
601.37537	1.0
647.36707	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	645.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
57.03439	8.5
57.07056	7.5
63.57808	4.9
67.05484	19.4
69.07061	19.5
71.01345	9.7
73.02918	12.5
79.05494	16.1
79.66657	4.1
81.07059	36.4
83.08604	6.4
85.02911	33.7
89.58359	4.3
91.05473	17.1
93.07043	42.5
95.04977	7.9
95.08610	67.1
96.02625	4.1
98.77711	4.6
99.08120	8.6
103.03925	5.3
105.07031	47.3
107.08595	68.7
109.10166	31.5
109.89022	4.4
111.17300	4.6
113.02338	17.9
117.07027	8.8
119.08583	74.8
121.10142	42.6
123.11686	20.3
129.07043	5.5
131.03369	9.7
131.08568	38.2
133.06514	5.2
133.10147	52.8
135.11696	52.1
141.01859	4.7
143.08556	16.0
145.10126	41.6
147.11684	41.8
149.13280	26.0
155.08527	10.5
157.10149	43.0
158.10907	6.7
159.08023	7.7
159.11696	53.4
161.13263	28.3
162.36015	4.6
163.14793	14.9
168.09306	11.1
169.10153	7.6
170.10904	5.5
171.11682	24.5
173.09558	7.0
173.13269	38.1
175.14818	16.8
177.12704	8.0
177.16374	6.2
183.11687	39.0
185.09662	6.2
185.13287	22.0
185.93472	4.5
187.11134	4.5
187.14813	27.4
189.16356	76.3
191.17918	37.9
195.11668	10.0
197.13242	13.4
199.14807	19.7
201.11012	7.6
201.12756	84.7
201.16344	33.5
203.14270	6.2
203.17967	35.5
207.17430	5.8
209.13321	5.5
211.14833	10.4
213.16331	15.8
215.14267	15.2
215.17932	10.1
217.15887	12.2
219.13873	9.0
223.14897	6.4
227.14223	5.8
229.12224	16.9
229.15782	5.9
239.17914	6.4
241.19472	9.2
243.13800	11.2
247.13287	67.4
253.19543	6.0
255.20915	10.0
261.14935	40.4
265.19543	7.7
267.17307	4.9
269.19012	14.3
277.79462	5.4
311.19922	5.6
314.96494	4.1
315.19443	5.1
347.27502	6.8
383.20523	6.3
387.30350	9.8
405.31473	56.4
423.32596	18.6
433.31079	33.0
451.32080	100.0
454.71582	5.0
469.32861	16.6
469.39651	5.2
557.34644	26.1
559.65942	5.2
599.35974	31.7
627.34540	10.4
645.36292	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	645.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.2
57.07061	5.7
63.94696	2.9
65.03931	2.6
67.05495	18.6
69.07064	18.6
69.94730	9.2
69.95135	4.2
71.17081	2.7
73.02906	3.5
79.05502	15.4
81.07054	29.7
83.08598	8.5
85.02895	17.8
90.00566	2.4
91.05501	13.1
93.07039	29.7
95.01313	3.6
95.04954	2.9
95.08609	44.6
97.06495	4.8
97.10108	4.2
99.08072	12.1
100.34356	3.2
105.07030	31.2
107.07946	4.1
107.08599	45.7
109.10154	22.5
113.02371	7.5
117.07004	4.9
119.08592	45.0
121.10152	43.9
123.11689	16.0
129.06969	5.5
131.03360	3.9
131.08543	9.5
133.10118	32.1
135.11693	29.7
137.13240	7.6
141.01839	6.8
141.07018	3.2
143.08551	12.3
145.10118	30.1
147.11690	23.8
149.13249	23.6
155.08592	6.5
157.10121	19.7
159.08083	2.8
159.11705	33.9
161.13242	18.3
163.07581	4.4
163.11186	4.3
163.14839	14.8
169.04745	2.9
169.10136	12.0
171.11682	15.4
173.13226	14.6
175.14835	11.4
177.16403	9.0
179.14288	4.2
181.10156	4.7
181.12254	9.8
183.11707	22.2
185.13237	16.9
187.14868	14.8
189.12677	3.2
189.16385	24.1
191.14192	3.0
191.17920	8.1
195.11832	6.3
197.01181	2.9
197.13358	14.2
199.14868	15.4
201.12704	4.1
201.16360	12.3
203.14267	3.4
203.17992	19.6
209.11717	8.4
209.13237	8.0
211.14813	13.8
212.15614	5.9
213.16379	19.5
215.10840	5.0
215.14233	4.0
215.17924	12.6
217.15750	4.1
219.13936	3.9
221.13162	4.7
223.14745	7.1
225.16374	10.5
227.14250	4.1
227.17885	7.5
229.15979	3.8
229.19554	6.9
237.14604	4.9
237.16658	4.8
239.17764	6.7
241.19524	3.9
243.13791	4.3
243.17358	3.4
245.15338	4.3
247.13156	3.5
248.15785	3.3
251.17845	6.9
253.15865	3.7
253.19557	4.2
255.17343	4.1
255.21086	21.9
257.15314	6.7
257.18774	2.7
261.14731	4.1
265.19513	3.7
267.17407	3.8
271.16989	4.8
283.16986	4.3
283.20279	4.0
285.18488	4.4
295.17151	2.7
295.20566	4.0
297.18387	5.8
301.18024	5.0
303.19461	3.9
313.17993	7.3
315.19778	6.3
335.09479	40.1
335.23657	2.8
353.24738	4.9
387.30484	8.3
389.31891	5.3
405.31607	21.0
423.32562	11.8
433.31152	27.2
451.32092	100.0
469.32999	9.9
520.43195	3.2
645.38287	75.3
651.93152	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	645.3629
Annotation	Antibiotic BU 3292TA
Peak:m/z	Relative Intensity
55.05496	10.2
57.07061	5.7
63.94696	2.9
65.03931	2.6
67.05495	18.6
69.07064	18.6
69.94730	9.2
69.95135	4.2
71.17081	2.7
73.02906	3.5
79.05502	15.4
81.07054	29.7
83.08598	8.5
85.02895	17.8
90.00566	2.4
91.05501	13.1
93.07039	29.7
95.01313	3.6
95.04954	2.9
95.08609	44.6
97.06495	4.8
97.10108	4.2
99.08072	12.1
100.34356	3.2
105.07030	31.2
107.07946	4.1
107.08599	45.7
109.10154	22.5
113.02371	7.5
117.07004	4.9
119.08592	45.0
121.10152	43.9
123.11689	16.0
129.06969	5.5
131.03360	3.9
131.08543	9.5
133.10118	32.1
135.11693	29.7
137.13240	7.6
141.01839	6.8
141.07018	3.2
143.08551	12.3
145.10118	30.1
147.11690	23.8
149.13249	23.6
155.08592	6.5
157.10121	19.7
159.08083	2.8
159.11705	33.9
161.13242	18.3
163.07581	4.4
163.11186	4.3
163.14839	14.8
169.04745	2.9
169.10136	12.0
171.11682	15.4
173.13226	14.6
175.14835	11.4
177.16403	9.0
179.14288	4.2
181.10156	4.7
181.12254	9.8
183.11707	22.2
185.13237	16.9
187.14868	14.8
189.12677	3.2
189.16385	24.1
191.14192	3.0
191.17920	8.1
195.11832	6.3
197.01181	2.9
197.13358	14.2
199.14868	15.4
201.12704	4.1
201.16360	12.3
203.14267	3.4
203.17992	19.6
209.11717	8.4
209.13237	8.0
211.14813	13.8
212.15614	5.9
213.16379	19.5
215.10840	5.0
215.14233	4.0
215.17924	12.6
217.15750	4.1
219.13936	3.9
221.13162	4.7
223.14745	7.1
225.16374	10.5
227.14250	4.1
227.17885	7.5
229.15979	3.8
229.19554	6.9
237.14604	4.9
237.16658	4.8
239.17764	6.7
241.19524	3.9
243.13791	4.3
243.17358	3.4
245.15338	4.3
247.13156	3.5
248.15785	3.3
251.17845	6.9
253.15865	3.7
253.19557	4.2
255.17343	4.1
255.21086	21.9
257.15314	6.7
257.18774	2.7
261.14731	4.1
265.19513	3.7
267.17407	3.8
271.16989	4.8
283.16986	4.3
283.20279	4.0
285.18488	4.4
295.17151	2.7
295.20566	4.0
297.18387	5.8
301.18024	5.0
303.19461	3.9
313.17993	7.3
315.19778	6.3
335.09479	40.1
335.23657	2.8
353.24738	4.9
387.30484	8.3
389.31891	5.3
405.31607	21.0
423.32562	11.8
433.31152	27.2
451.32092	100.0
469.32999	9.9
520.43195	3.2
645.38287	75.3
651.93152	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	643.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
59.68760	0.7
67.05512	4.2
69.07065	0.8
69.45683	0.9
69.46086	4.1
71.08619	1.4
71.98747	0.6
79.05512	2.8
81.07054	5.4
83.05016	0.9
83.08625	0.9
90.56269	0.5
91.05489	1.5
93.07049	3.3
95.08621	2.6
98.21549	1.2
99.08124	1.0
105.07021	1.9
107.08610	2.4
109.10173	0.9
117.05280	0.7
117.07053	0.7
119.08560	0.9
119.21573	0.5
121.10157	1.8
133.10146	1.2
135.11734	1.1
145.10100	0.7
149.13315	0.9
151.11192	1.1
154.06949	0.5
155.51286	0.6
161.13350	0.6
161.68440	0.7
163.11235	0.7
170.17056	0.6
179.14331	1.0
189.76059	0.5
190.82336	0.5
221.93857	0.6
232.59523	0.5
245.23370	0.7
275.20105	0.7
277.21710	1.5
289.32074	0.6
300.58945	0.7
423.41394	0.6
545.38507	5.6
625.44690	1.1
643.25293	100.0
644.25946	2.3
648.99628	0.7
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
53.03936	3.9
54.21798	2.1
55.05500	7.3
57.03434	3.3
57.07074	27.1
62.28867	2.1
67.05215	2.6
67.05507	27.0
69.07076	11.7
69.24349	23.7
71.08636	24.5
79.05495	17.4
81.07059	35.9
83.04979	6.1
83.08617	12.7
85.10194	10.6
91.05489	10.1
93.07047	19.1
95.04964	6.2
95.08618	22.9
97.06535	3.2
97.10191	3.9
98.32226	2.3
105.07018	7.2
107.08615	10.1
109.10161	8.2
117.07011	6.3
118.25174	2.1
119.08591	2.8
121.10125	4.4
123.11636	3.3
131.08568	5.0
133.10141	6.6
135.11700	4.2
147.11732	3.1
149.13287	6.5
151.11124	5.0
159.11656	3.7
162.93848	2.0
195.13950	4.1
204.48419	2.2
239.23586	3.2
269.17456	9.4
277.21573	5.6
313.27350	32.0
351.25308	4.8
358.94846	2.3
465.43979	2.4
507.40491	100.0
589.48035	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.8
55.05474	2.2
57.03392	1.0
67.05476	3.0
69.07042	2.2
77.44574	0.6
79.05462	2.9
81.07041	3.6
83.04961	0.8
85.06495	0.6
91.05448	1.6
93.07046	4.0
95.04916	0.8
95.08575	2.8
95.25634	0.6
95.75746	0.6
97.06511	0.7
105.06990	1.8
107.08553	1.8
109.10167	1.6
117.07009	0.8
119.08553	1.3
121.10080	1.2
131.08501	0.8
133.10088	1.9
135.11626	1.2
145.10089	1.3
159.11661	1.0
159.88557	0.8
169.62231	0.7
173.44519	0.6
222.14699	0.6
239.82286	0.7
245.92088	0.7
350.35126	0.7
396.12134	1.4
397.13129	2.1
398.13913	1.0
409.12643	0.8
410.13733	2.3
411.14694	4.5
412.15268	3.7
413.16232	2.5
423.14957	1.4
424.11038	1.6
424.15884	1.8
425.16183	11.1
426.16980	8.0
427.17532	1.4
428.18430	1.1
437.16208	2.2
438.13400	2.7
439.13556	12.5
440.19370	3.3
441.19308	30.9
442.19611	1.5
452.14407	4.3
453.15399	15.5
454.15826	4.0
467.17191	24.4
468.17969	13.8
469.18878	11.2
472.90594	0.7
481.14832	13.1
482.15454	3.8
494.18472	0.8
495.16864	2.3
496.17014	14.2
497.18051	1.4
499.20038	1.0
508.20035	0.9
509.18155	1.9
513.20648	0.7
514.22174	1.5
523.19684	1.1
527.23376	3.5
540.19727	0.9
545.38245	2.3
555.22467	26.5
556.22992	1.2
568.18640	1.0
583.21906	100.0
584.21826	5.4
587.25360	1.1
608.03558	0.8
611.21136	2.2
615.24518	9.6
625.45538	1.2
643.23895	51.1
644.24426	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	641.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01868	7.0
55.05510	27.3
57.07075	14.1
65.03948	6.8
67.05510	40.8
69.03423	14.0
69.07066	55.7
69.53968	4.9
70.72626	10.4
70.72948	6.1
70.89027	4.9
71.05006	11.0
71.08620	9.9
74.21976	5.2
79.05492	20.1
81.07060	100.0
83.04985	9.5
83.08199	6.0
83.08623	30.1
85.02911	22.1
85.06547	11.8
91.05481	11.9
93.07046	31.3
95.04951	10.7
95.08612	83.2
96.31212	5.4
96.50199	5.7
97.02885	10.0
97.06502	8.1
97.10172	20.8
99.08080	9.0
105.07045	17.5
107.04980	14.9
107.08606	32.8
109.06540	8.5
109.10162	68.1
111.04454	5.5
111.08118	7.3
111.11717	23.1
117.07013	6.3
119.08554	14.1
121.06487	7.9
121.10156	11.4
123.11732	37.8
125.13262	7.5
127.04005	6.0
133.10172	9.2
135.07993	6.0
135.11716	16.6
137.05971	10.9
137.13164	24.2
145.06456	6.3
145.10155	6.4
147.11613	6.6
149.13271	22.9
151.07515	10.6
151.14803	8.5
153.05528	4.9
155.14285	6.2
155.47903	5.5
157.10199	5.6
161.13280	5.3
163.03908	6.1
163.14845	10.9
165.09091	11.5
165.16356	8.0
167.07021	33.3
173.05989	8.2
177.09222	8.5
179.17921	6.7
181.04932	50.7
182.83018	5.4
203.07079	5.8
217.08453	7.3
218.67494	4.9
233.08133	6.7
275.27362	13.8
281.28412	12.2
293.28473	50.9
299.29532	12.3
311.29440	25.0
329.30481	19.5
375.24896	15.2
415.13858	7.4
461.28723	10.2
623.29993	16.7
641.24457	16.0
641.33203	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89199	1.2
53.50735	1.1
55.05510	2.4
57.06822	1.9
57.07078	29.3
67.05498	2.6
69.07057	5.0
71.08633	25.7
71.61974	1.3
73.06547	6.2
77.99475	1.2
79.05488	2.7
81.07080	6.1
81.36862	1.2
83.08595	4.5
85.10184	19.2
87.04486	5.6
89.06033	100.0
91.05476	1.9
93.07011	2.0
95.08618	3.7
95.36346	1.2
97.06529	1.1
97.10168	5.3
99.11736	2.1
105.07032	1.3
107.07067	1.6
107.08607	1.8
109.10155	2.4
111.11724	3.1
117.09143	6.7
119.08571	1.4
125.13264	1.6
126.29766	1.1
127.14805	2.3
130.08600	1.6
131.07051	1.5
133.08612	52.5
145.10123	1.4
146.86252	1.1
155.17946	1.2
177.11215	22.3
211.24170	2.7
221.13866	5.6
255.26817	1.4
265.16437	1.6
283.17490	1.8
299.29428	5.0
309.19025	1.3
337.27756	1.5
343.32126	2.9
415.25278	4.3
471.20773	1.1
529.38281	1.2
544.36700	1.8
545.38196	3.7
562.82385	1.1
625.48236	3.8
643.24884	6.6
643.35187	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	641.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01868	7.0
55.05510	27.3
57.07075	14.1
65.03948	6.8
67.05510	40.8
69.03423	14.0
69.07066	55.7
69.53968	4.9
70.72626	10.4
70.72948	6.1
70.89027	4.9
71.05006	11.0
71.08620	9.9
74.21976	5.2
79.05492	20.1
81.07060	100.0
83.04985	9.5
83.08199	6.0
83.08623	30.1
85.02911	22.1
85.06547	11.8
91.05481	11.9
93.07046	31.3
95.04951	10.7
95.08612	83.2
96.31212	5.4
96.50199	5.7
97.02885	10.0
97.06502	8.1
97.10172	20.8
99.08080	9.0
105.07045	17.5
107.04980	14.9
107.08606	32.8
109.06540	8.5
109.10162	68.1
111.04454	5.5
111.08118	7.3
111.11717	23.1
117.07013	6.3
119.08554	14.1
121.06487	7.9
121.10156	11.4
123.11732	37.8
125.13262	7.5
127.04005	6.0
133.10172	9.2
135.07993	6.0
135.11716	16.6
137.05971	10.9
137.13164	24.2
145.06456	6.3
145.10155	6.4
147.11613	6.6
149.13271	22.9
151.07515	10.6
151.14803	8.5
153.05528	4.9
155.14285	6.2
155.47903	5.5
157.10199	5.6
161.13280	5.3
163.03908	6.1
163.14845	10.9
165.09091	11.5
165.16356	8.0
167.07021	33.3
173.05989	8.2
177.09222	8.5
179.17921	6.7
181.04932	50.7
182.83018	5.4
203.07079	5.8
217.08453	7.3
218.67494	4.9
233.08133	6.7
275.27362	13.8
281.28412	12.2
293.28473	50.9
299.29532	12.3
311.29440	25.0
329.30481	19.5
375.24896	15.2
415.13858	7.4
461.28723	10.2
623.29993	16.7
641.24457	16.0
641.33203	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01863	2.2
55.05519	10.1
57.03445	1.3
57.07078	3.5
61.02923	1.9
65.03941	1.2
67.05509	12.2
69.03436	7.3
69.07070	17.2
70.97056	2.6
71.05016	2.2
71.08651	0.8
73.02931	1.2
73.82904	0.8
79.05483	4.8
81.03445	3.6
81.07061	27.1
83.01361	2.5
83.04984	1.8
83.08632	6.3
85.02905	11.4
85.06551	3.2
87.04491	1.4
91.03937	1.4
91.05485	4.8
93.07048	5.6
95.01336	1.1
95.04989	2.9
95.08613	26.5
97.02910	6.4
97.06566	1.9
97.10176	3.2
99.00815	6.5
99.04454	4.7
100.63450	0.9
105.07008	4.3
107.04977	1.6
107.08603	3.5
109.02882	2.6
109.10167	12.9
111.08071	1.0
113.02383	2.2
114.02056	1.0
117.07029	2.0
119.04938	1.3
119.08614	3.8
121.06501	2.3
121.10173	3.2
123.08076	1.3
123.11724	5.0
125.05980	1.1
125.09678	1.2
127.03933	2.1
128.06233	1.2
131.08559	2.1
133.06461	2.0
133.10168	1.8
135.04439	2.0
135.08061	2.5
135.11728	1.4
136.07623	3.1
137.05962	4.9
137.08334	0.8
137.09566	1.9
137.13284	2.0
139.07581	1.2
143.08582	1.4
145.10161	3.4
147.08031	1.7
147.11758	2.1
149.02345	1.3
149.06041	2.5
149.09662	2.0
151.07553	2.3
153.05476	2.9
155.07018	1.5
157.10170	1.6
159.11696	1.8
161.06049	1.9
161.09613	2.7
163.03984	3.8
163.07610	2.7
165.09132	3.9
167.07056	4.4
169.10274	1.5
171.06696	1.1
171.08057	2.1
173.06012	1.3
175.07561	2.7
175.11185	1.2
175.14983	1.0
177.05472	10.5
177.09065	1.4
179.10669	1.3
180.10217	16.2
181.04968	19.2
181.06491	1.4
181.10562	6.3
183.06572	5.9
189.09119	18.8
191.07169	2.4
191.10625	2.0
193.12309	1.7
195.06526	30.6
203.10750	3.2
205.08690	1.1
205.12262	1.9
207.06528	2.9
209.08081	13.1
223.09660	18.3
231.10291	1.2
231.13943	1.4
235.09637	4.3
237.11220	24.5
249.11226	17.0
251.12718	6.0
263.12811	4.8
265.14432	2.7
277.14450	2.1
279.16104	1.5
291.15979	3.9
293.17560	2.6
305.17542	3.4
307.19159	3.3
317.17630	1.4
319.19159	2.5
419.29636	0.9
443.31693	37.6
460.37494	2.0
461.32715	100.0
461.38324	10.1
462.32928	2.4
479.33743	58.9
479.38962	2.3
480.33936	2.4
623.37408	1.1
641.31396	15.3
641.44293	19.5
645.41559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01880	3.6
55.05508	18.5
57.03442	4.6
57.07076	9.6
67.05508	27.3
69.03434	10.9
69.07068	44.8
71.04998	3.8
71.08640	3.2
71.61329	4.1
72.78000	2.2
73.02920	4.0
79.05498	14.0
81.03423	5.9
81.07063	74.0
82.07361	2.3
83.04990	2.8
83.08629	23.4
85.02908	19.9
85.06546	28.1
85.10131	2.7
91.05492	9.5
93.07050	20.5
93.78445	2.2
95.04966	5.9
95.08606	71.0
97.02895	7.1
97.06509	3.8
97.10174	12.8
98.76130	2.9
99.00810	6.7
99.04425	5.6
99.08101	7.3
103.05497	3.6
105.07021	10.7
107.08574	14.5
109.06512	6.0
109.10170	40.8
111.08064	3.5
111.11720	12.3
113.09647	3.0
115.05496	3.4
117.07058	3.6
119.08572	5.4
121.10136	10.9
123.04409	2.5
123.08148	4.3
123.11714	20.9
125.06008	3.7
125.09610	3.9
125.13309	3.3
127.03902	4.8
131.04936	13.3
131.08632	3.5
133.10132	8.5
135.08099	2.9
135.11693	7.3
137.05931	11.6
137.09616	3.7
137.13255	11.7
139.07487	2.8
143.08548	4.8
145.05020	2.2
145.10120	4.9
147.04419	4.1
147.11702	3.0
149.13225	7.4
151.07565	6.7
151.14832	8.8
153.05463	7.2
157.06700	2.3
159.11838	2.7
161.06056	2.6
161.09608	3.6
163.03937	3.8
163.07542	7.2
163.14735	3.6
165.09076	3.5
165.16376	3.7
167.07056	15.8
175.07558	3.8
177.05493	5.7
177.09186	3.8
179.10704	3.2
181.04979	32.0
183.06537	6.5
183.17496	2.8
189.09145	13.8
191.07053	4.0
191.10625	3.0
195.06546	28.3
199.05983	4.1
203.10585	4.4
207.06578	5.9
209.08116	18.0
219.21094	3.1
221.08167	2.8
223.09631	20.1
233.08055	2.3
235.09573	2.7
237.11246	20.5
249.11256	15.7
251.12743	6.9
261.11670	2.6
263.12833	3.5
265.14484	2.9
275.27356	6.3
281.28354	16.3
293.17538	3.6
293.28381	21.4
305.17590	3.5
307.18988	6.6
311.29465	15.0
319.19162	5.5
329.30496	7.9
347.21661	2.7
375.25391	6.4
387.25021	2.6
393.26028	2.8
415.14233	4.0
443.31674	100.0
461.15582	3.1
461.32867	67.5
479.33969	23.7
482.75854	3.7
584.06897	2.4
592.27576	2.6
623.37225	2.9
641.30817	11.0
641.39868	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1713
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.98968	0.1
53.03927	0.3
55.01869	0.4
57.03428	0.6
61.02907	0.8
61.67977	0.2
65.03941	0.2
68.99786	0.2
69.03429	2.7
71.04988	0.3
71.40236	0.3
73.02896	0.6
73.60099	0.2
81.03416	1.3
85.02908	7.0
87.04481	0.4
91.03931	0.3
91.05452	0.2
92.02654	0.5
93.03395	0.7
95.24311	0.2
97.02895	2.5
98.97571	0.4
99.04453	0.4
105.07060	0.2
109.02878	0.9
111.00813	0.2
113.01414	0.2
116.98628	0.2
121.02920	0.8
122.98359	0.2
126.03132	0.2
127.03925	1.4
135.52406	0.2
137.05939	0.3
137.25177	0.2
139.03896	0.6
143.00159	0.2
145.04970	0.8
147.04344	0.3
151.03946	1.0
151.04935	0.2
153.01825	5.0
163.03893	0.4
165.01831	0.6
167.07019	0.2
177.05473	0.3
183.02904	0.2
201.05478	0.5
203.03442	0.3
217.05051	0.3
218.05801	0.4
228.04164	1.1
229.04988	2.7
231.02829	0.4
243.06483	0.2
245.04445	0.7
246.05229	1.1
257.04434	2.1
260.03271	0.3
271.06137	0.4
273.03918	1.6
274.04736	4.1
284.03320	0.2
285.03937	4.2
286.04562	0.2
288.06192	0.3
302.04214	10.4
317.06552	100.0
318.07083	1.2
345.72867	0.2
380.78604	0.2
479.11890	7.0
634.62628	0.2
641.23413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3892
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03933	0.8
55.01866	0.4
55.05262	0.5
55.05511	8.3
57.03424	0.7
57.07070	2.2
65.03924	0.4
67.05164	0.5
67.05505	9.4
69.03427	2.2
69.06714	0.6
69.07070	11.7
70.32916	1.0
71.08640	0.6
79.05486	3.0
81.03416	0.8
81.07056	19.2
83.01316	1.0
83.08614	3.7
85.02904	5.1
85.06545	2.5
88.52306	0.3
90.28177	0.4
91.05450	1.3
93.07058	2.4
94.44662	0.3
95.01351	1.7
95.04976	0.6
95.08603	16.5
97.02879	1.5
97.10156	1.9
99.00816	7.7
99.04444	2.7
105.07021	1.6
107.04930	0.6
107.08598	1.8
109.02867	0.8
109.06478	0.6
109.10157	6.9
111.11704	0.4
113.02348	1.6
117.01842	0.5
117.07014	1.0
119.08571	0.8
121.06416	0.7
121.10136	0.8
123.04458	0.4
123.11693	3.0
125.05939	0.9
127.03891	0.6
129.06926	0.4
131.08545	0.8
133.06485	0.6
133.10135	0.8
135.04430	1.0
135.08054	0.7
135.11684	0.6
137.05971	1.9
137.13260	1.5
139.07556	1.1
143.08580	0.5
145.04866	0.4
145.10104	0.7
147.08084	0.4
147.11667	0.6
149.02354	0.5
149.06000	1.0
151.07561	1.3
151.14809	0.6
153.05455	2.9
155.07010	0.9
157.10048	0.7
159.11662	0.7
161.06010	0.7
161.09622	0.9
161.13239	0.4
163.03946	1.6
163.07574	1.7
163.11172	0.5
165.05553	0.4
165.09137	0.6
167.07042	1.1
171.08067	1.5
173.05988	0.4
175.07535	2.2
175.11256	0.4
177.05479	4.8
177.09129	1.6
181.04953	14.5
183.06535	4.5
189.09116	10.0
190.55363	0.3
191.07027	1.4
191.10657	1.1
195.06519	25.9
198.53044	0.3
203.10643	2.4
205.08582	1.3
207.06573	1.8
209.08093	14.9
217.12305	0.4
219.10223	0.5
221.08086	1.2
222.87285	0.4
223.09647	16.1
224.10341	0.4
231.10167	1.0
235.09645	2.8
237.11212	20.0
249.11234	11.3
251.12776	6.1
255.27843	0.3
261.11243	0.5
263.12735	4.2
265.14355	2.6
277.14383	1.5
279.16028	1.3
291.15961	1.2
293.17432	2.3
305.17432	1.0
307.19037	4.2
317.17407	0.4
319.19067	3.2
321.20657	0.6
333.20657	0.8
347.22192	0.5
361.23856	0.7
375.25293	0.4
377.26782	0.5
387.25436	0.5
443.31662	3.6
461.32623	100.0
462.32950	1.6
479.33694	44.2
480.34122	1.0
641.39142	9.1
642.39441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
54.39249	2.1
55.05297	2.1
55.05515	26.4
57.03434	8.3
57.07070	17.8
64.94933	2.0
67.05502	19.4
69.07064	10.1
71.08627	12.9
71.61765	2.2
74.67537	1.9
79.05488	23.1
81.07059	21.8
83.04975	3.5
83.08616	18.2
84.04059	2.3
84.96025	1.9
85.10184	4.8
91.05471	9.8
93.07048	12.8
95.04925	2.8
95.08615	13.8
97.10163	25.5
105.07035	15.3
107.08603	29.4
109.10147	9.3
117.06992	4.2
119.08562	7.1
121.10124	4.4
123.11700	4.1
125.09639	24.3
131.08588	4.8
133.10150	7.9
135.08051	2.3
135.11664	2.5
137.13177	2.2
145.10120	8.3
147.11713	3.9
149.09665	2.6
152.71077	2.1
159.11693	2.5
171.10068	2.8
184.40576	1.8
189.09717	2.0
189.11211	12.4
192.20772	2.2
197.13286	2.4
201.16434	2.1
227.12779	100.0
239.17848	2.9
239.23743	2.7
257.19043	8.2
275.20059	32.0
313.27356	47.0
324.73303	2.1
331.22504	3.5
349.23724	24.7
483.36716	7.5
587.46777	28.8
648.82910	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	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05510	21.4
57.03438	15.4
57.07077	53.7
63.77290	2.7
65.03931	2.9
65.87346	2.7
67.02588	3.1
67.05507	57.1
69.07070	34.2
69.89359	7.9
69.89746	6.5
71.04982	4.6
71.08631	37.3
79.05495	38.8
81.03412	6.7
81.07053	68.1
83.04979	9.6
83.08636	20.9
85.06545	4.1
85.10182	19.2
91.05480	37.3
93.07052	44.7
93.17540	2.9
95.04968	7.4
95.08615	47.7
97.06537	9.1
97.10158	9.3
104.46875	2.6
105.07040	25.9
107.08595	24.6
109.06498	5.2
109.10151	21.3
111.08096	4.8
117.07024	15.1
119.08585	21.9
121.06513	2.7
121.10124	16.0
123.11733	7.1
129.07028	4.2
131.08595	21.3
133.10117	18.4
135.11696	11.9
137.09612	4.1
143.08566	4.0
145.10132	12.2
147.11719	7.5
149.09656	8.0
149.13229	9.6
157.10103	4.4
159.11684	12.9
163.11208	6.7
163.75371	2.8
171.11780	4.7
181.12294	4.3
188.01237	2.8
195.13814	7.2
232.84065	2.8
239.23807	6.5
255.15933	15.3
257.19006	8.7
257.24673	3.1
257.27582	3.4
269.17450	21.0
275.20117	33.5
291.19586	3.6
313.27377	100.0
331.22748	3.2
349.23483	16.3
367.24634	4.2
408.12698	3.2
427.81061	3.0
493.38983	21.5
507.28867	4.0
507.40460	78.6
547.43549	13.0
587.46259	7.7
639.85358	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	639.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88684	0.5
55.05471	0.8
56.96513	7.8
67.05449	2.0
67.05766	0.5
69.03380	0.5
69.07043	0.8
70.63129	1.6
70.63496	0.7
71.95229	0.6
72.96020	0.5
79.05443	1.3
81.07003	2.0
83.03012	0.5
91.05407	0.9
93.06974	1.3
95.08552	1.6
97.02810	0.7
103.11897	0.5
105.06997	1.4
107.08540	0.7
109.10112	0.6
110.97535	0.6
119.08591	1.0
121.10156	0.6
128.98605	0.6
131.08484	0.7
133.10028	0.9
135.11664	0.5
149.02284	2.0
153.02168	0.8
155.03738	0.7
159.11664	0.5
169.05389	0.7
170.01216	0.5
171.03212	0.9
173.04921	1.0
193.04968	1.0
198.12498	0.5
201.08191	0.6
241.11133	0.6
259.12112	1.1
265.14743	5.1
273.13705	0.6
277.14847	1.3
283.15814	23.4
287.15457	0.5
291.16232	5.4
291.19281	0.9
293.17770	2.9
295.15814	4.1
301.16840	8.1
303.16364	1.7
306.17322	1.2
307.15591	0.6
309.17361	20.2
321.13568	1.0
321.17361	21.3
327.18436	5.2
332.18961	1.6
339.18430	52.0
340.18637	0.7
344.19022	0.9
357.19485	100.0
358.19843	1.2
362.20013	4.2
375.20557	20.1
380.21100	12.5
393.21811	0.7
398.22153	2.6
421.23810	0.7
541.35272	0.7
578.13464	0.6
621.40381	1.1
622.15936	1.0
639.41473	52.4
640.41870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49211	0.6
53.03932	1.8
54.78848	0.7
55.01859	1.0
55.05509	6.2
57.03428	1.8
57.07071	3.2
61.02920	1.6
63.45971	0.6
66.99383	0.6
67.05511	3.7
68.99797	0.7
69.03433	6.8
69.07068	10.5
70.36002	2.2
71.04988	1.5
73.02895	1.6
77.32364	0.7
79.05489	6.0
81.03426	3.5
81.07058	10.6
81.25701	0.6
83.08611	8.6
85.02415	1.0
85.02908	18.7
87.00826	6.4
91.05460	4.7
93.07044	21.5
95.04957	1.4
95.08610	32.8
97.02888	6.4
97.10172	4.2
98.97555	1.5
99.04442	2.0
105.01870	25.8
105.07037	5.2
105.12978	0.7
107.08595	46.0
109.02886	3.8
109.06490	1.1
109.10162	8.9
111.08058	0.9
119.08591	2.6
121.10141	72.6
123.08069	1.0
123.11701	5.2
125.09595	1.5
127.03923	12.7
135.11694	16.1
137.05991	4.2
137.13254	22.5
138.06346	2.0
139.11179	2.7
145.04970	8.1
149.13231	4.6
159.02907	0.7
161.02397	0.7
163.05995	0.8
167.03407	4.1
168.03726	1.5
177.16388	100.0
178.16702	1.1
195.17442	21.9
231.05000	9.3
249.06053	13.7
252.09505	0.7
287.09241	0.8
317.06577	0.8
333.09695	1.3
334.09991	1.6
339.53134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.3
55.01866	7.4
55.05510	32.1
57.03431	15.1
62.68503	3.8
65.03914	6.4
67.05503	57.2
69.03418	18.2
69.07059	13.2
69.95885	16.8
71.04990	8.6
79.05126	4.7
79.05502	64.4
81.02969	7.3
81.03416	100.0
81.07055	52.6
83.04980	44.8
83.08623	23.3
85.02894	18.0
90.05421	4.0
91.05483	86.0
92.73562	4.1
93.07053	51.0
95.04971	28.6
95.08611	24.2
97.02885	16.5
97.06524	8.3
99.04430	9.5
105.07030	53.3
107.04961	28.0
107.08581	8.6
109.02873	10.1
109.06496	7.4
109.10105	8.9
111.04428	12.6
111.08063	11.5
115.05442	5.5
117.06993	11.3
119.08572	37.0
121.06432	5.5
121.10170	10.6
123.08040	5.0
127.03898	12.8
129.05522	5.3
129.06995	27.9
131.08574	19.5
133.06474	5.8
133.10147	38.1
135.11671	5.7
137.09566	5.2
142.07770	5.6
142.49196	3.5
143.86191	4.1
145.06473	5.5
145.10106	12.2
147.08064	9.2
147.11690	29.3
149.09604	9.3
157.10153	26.6
163.11189	9.8
165.09053	6.8
165.12794	4.7
170.16768	4.0
175.11180	31.1
193.12239	60.5
209.99080	4.0
211.13290	56.9
249.14799	6.2
255.13972	3.9
255.85255	4.0
267.15921	94.1
274.07501	4.1
285.16922	12.8
429.21069	6.9
459.27347	86.7
477.28467	25.7
621.33026	31.0
639.29846	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43472	0.4
55.01867	1.4
55.05514	4.6
57.03420	1.0
57.07067	0.9
59.04987	1.1
65.06420	0.4
67.05503	4.3
69.03429	4.7
69.07071	20.3
70.09424	2.0
71.04993	1.3
72.77988	0.4
73.02903	0.8
79.05506	3.2
80.01207	0.4
81.03416	4.3
81.07064	7.0
83.01377	0.6
83.04977	1.6
83.08630	2.8
85.02909	7.8
85.06523	0.6
91.04955	0.4
91.05480	2.8
93.07034	4.1
95.01311	0.8
95.04982	1.6
95.08607	4.9
97.02888	2.8
97.06551	1.9
97.10178	0.5
98.97584	0.6
99.00804	3.6
99.04456	2.0
103.05430	0.5
105.07046	1.9
107.04949	0.6
107.08596	3.3
109.02872	1.8
109.06503	0.7
109.10155	3.7
111.04436	0.9
111.08089	0.7
111.11729	1.5
113.02319	0.8
113.05930	0.4
115.05489	0.4
117.07056	0.4
119.08590	1.7
121.10159	2.6
123.04401	0.8
123.08139	0.5
123.11712	1.6
125.05998	1.0
125.09666	0.8
127.03901	1.9
131.04930	1.1
131.08585	0.5
133.10135	1.4
135.08047	0.6
135.11713	1.6
137.05983	1.3
139.11201	0.7
145.04865	0.6
145.10167	0.8
147.11708	1.6
149.05989	0.7
149.09634	0.7
149.13286	1.3
151.07542	1.7
153.05467	1.3
155.07123	0.8
157.10132	0.7
161.13206	0.6
163.03955	2.1
163.07582	1.3
163.11179	0.7
165.09155	1.8
167.07126	0.8
167.14322	0.5
173.97365	0.4
175.07578	1.0
175.11140	0.7
177.05493	1.1
177.09109	0.8
177.76140	0.4
179.07066	0.6
179.10713	1.1
180.10184	0.6
181.04977	6.3
181.06490	0.5
183.06541	1.4
189.09103	1.3
191.07031	1.0
191.10695	1.1
193.12279	1.8
195.06541	15.6
203.10738	0.6
205.08620	0.7
205.12273	1.3
207.06659	0.5
207.13811	0.7
209.08102	7.6
211.13280	1.1
213.05499	0.6
223.09660	7.8
223.11646	0.7
235.09616	1.8
237.11229	8.4
245.15395	0.7
249.11139	1.9
251.12833	3.2
263.12827	1.2
265.14459	0.9
267.15836	0.8
277.14398	0.4
283.81885	0.5
285.10104	0.6
291.15961	0.6
293.17358	3.0
305.17487	1.4
307.19058	0.9
319.19046	0.9
321.20673	2.7
373.17020	0.8
429.19162	0.5
441.30273	0.6
459.31247	6.7
460.37509	0.6
477.32150	100.0
478.32407	1.6
495.29092	0.5
515.07184	0.5
621.31720	0.6
639.38245	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.2
55.01869	5.6
55.05509	18.4
57.03443	9.1
65.03925	1.9
67.05505	25.8
69.03430	14.2
69.07066	7.2
70.82559	4.4
71.04996	6.9
79.05495	25.7
81.03419	100.0
81.07062	28.4
81.73610	1.5
83.04979	20.6
83.08185	2.3
83.08626	21.0
85.02413	2.6
85.02899	21.5
85.06536	2.3
91.05482	30.5
93.07040	18.0
95.04970	25.0
95.08607	11.4
97.02878	13.2
97.06519	5.8
97.10152	7.2
99.04444	4.7
99.08102	1.5
105.07034	26.1
107.04937	8.8
107.08597	13.2
109.02884	16.8
109.06503	5.6
109.10119	7.2
111.04427	13.9
111.08055	8.9
111.28700	1.7
113.05981	1.9
117.07006	4.0
119.04935	3.0
119.08591	22.3
121.06488	5.0
121.10147	7.7
123.04427	2.1
123.08085	2.3
123.11684	3.1
125.09616	4.4
127.03915	8.9
129.07014	13.3
131.08577	13.1
133.06468	4.9
133.10155	9.1
135.11676	2.1
142.07820	3.1
143.08571	2.1
145.10106	3.2
147.04370	1.5
147.08087	4.2
147.11685	18.1
149.09602	6.5
149.23877	1.4
153.12796	2.3
157.10120	13.7
163.11217	4.2
165.12772	7.3
173.04445	2.0
173.09456	1.8
175.11200	10.9
181.12210	4.7
186.51067	1.3
191.10684	4.9
193.12248	41.7
209.11597	1.7
211.13295	70.2
212.09879	1.2
227.12718	6.8
229.14342	2.3
235.13202	2.2
249.14914	3.2
267.15924	21.2
273.14825	2.6
283.15509	2.2
285.16986	15.3
301.14343	4.4
309.16525	1.6
319.15561	2.6
337.16406	4.0
355.17651	7.3
367.22531	3.3
375.17941	2.1
385.23639	4.2
393.19077	3.3
395.33398	1.5
403.24777	1.8
411.20154	5.3
429.21274	2.5
459.27243	9.4
477.28534	14.2
495.29550	16.3
511.28903	1.6
585.30518	3.7
603.31268	4.5
621.32697	13.7
639.33759	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01872	6.0
55.05291	1.6
55.05517	19.1
57.03437	10.9
65.03938	3.1
67.05165	2.1
67.05504	28.4
69.03430	16.7
69.07072	15.0
71.01345	1.9
71.04986	6.7
71.62204	2.2
79.05492	29.9
81.03422	100.0
81.06575	2.3
81.07059	42.5
83.04982	19.1
83.08627	20.5
83.25792	1.6
85.02902	20.9
85.06562	3.9
87.36580	1.6
88.90666	1.4
91.05480	35.1
93.07057	26.1
95.04971	29.2
95.08606	22.9
97.02885	15.0
97.06527	5.4
97.10179	8.6
99.04464	4.8
99.08148	2.2
105.07030	27.4
107.04953	8.2
107.08598	14.5
109.02886	14.4
109.06516	6.1
109.10146	9.7
111.04414	13.5
111.08077	14.0
113.05986	3.1
117.07000	6.1
119.08588	23.6
121.06482	5.6
121.10136	14.9
123.04392	2.7
123.08058	3.8
123.11693	7.7
125.09626	4.9
127.03886	9.7
128.06200	1.8
129.05460	3.4
129.07031	12.9
129.88252	1.6
131.04947	1.8
131.08577	13.6
133.06479	3.9
133.10129	12.7
135.08115	2.7
135.11671	6.8
137.06003	3.6
137.09639	3.1
142.07797	2.2
143.08578	2.2
145.06465	1.8
145.10121	7.1
147.04329	1.6
147.08067	4.9
147.11707	23.1
149.05952	2.3
149.09612	6.0
149.13268	3.6
151.07538	2.5
153.12802	3.8
157.10121	15.3
159.11621	2.1
161.06007	1.9
161.13327	2.7
163.11192	4.1
165.09114	4.4
165.12788	6.0
167.07021	4.2
168.20641	1.6
171.11768	2.2
173.09555	2.6
175.11223	14.1
175.14882	2.1
181.12265	3.2
189.09160	2.0
191.10629	2.9
193.12254	41.1
205.05003	2.6
207.13814	2.3
211.13295	61.2
211.15248	3.4
227.12756	5.0
231.92061	1.7
235.13359	1.9
249.14993	2.0
267.15930	16.0
273.25821	1.9
285.16995	12.4
291.26889	2.8
301.14383	3.6
309.16818	2.5
309.27878	2.1
337.16489	3.1
355.17548	6.9
355.71982	1.7
367.22662	1.8
411.20139	5.6
429.20853	3.4
459.27081	7.5
477.28391	9.6
495.29581	12.3
567.33295	2.1
585.31885	1.8
621.32361	7.7
639.33838	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01875	1.3
55.05509	5.3
55.32576	1.0
57.03178	1.4
57.03437	17.5
57.06823	1.4
57.07077	23.8
61.02929	53.0
67.05511	8.3
69.03434	22.9
69.07060	7.6
70.21928	2.5
70.22322	3.0
71.01345	3.5
71.04987	3.4
71.08636	20.5
71.38582	1.0
73.02917	22.0
75.04465	1.4
78.67645	1.1
79.05486	2.5
81.03423	19.6
81.07060	13.3
83.05000	1.8
83.08618	9.3
85.02905	64.0
85.10184	11.1
87.04452	2.0
89.81494	0.9
91.03957	39.4
91.05483	2.3
93.07053	2.2
95.05016	1.1
95.08617	17.7
97.02897	63.3
97.10157	4.4
97.62323	1.0
99.04462	8.4
101.02409	6.6
103.03949	8.1
103.07600	1.4
107.08561	1.5
109.02877	13.9
109.10145	10.2
111.04440	1.4
113.71973	1.0
115.03905	5.4
117.05490	1.7
119.08567	1.4
121.10156	1.8
123.11700	3.2
127.03918	27.7
129.05525	5.1
137.05977	1.3
145.04961	14.9
159.06512	1.9
161.92282	1.2
163.05998	4.1
171.06522	2.0
183.06483	8.7
195.06131	1.3
201.07567	8.5
219.08707	1.7
239.23714	20.2
257.24744	2.6
313.27377	100.0
341.26849	4.0
347.67581	1.4
348.17319	2.1
349.16873	2.0
354.90768	1.2
355.28403	3.3
383.27893	1.9
385.29538	2.3
434.19910	1.0
439.30417	3.2
457.31686	10.9
475.32745	1.5
541.26825	1.2
637.37701	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96297	1.4
56.23758	1.1
59.70595	1.2
66.05016	1.2
70.78485	1.6
70.78844	3.3
95.08622	2.0
142.93675	1.1
287.75443	1.3
310.93985	1.2
388.16965	1.2
403.19336	2.0
415.19281	1.4
417.21371	1.8
419.22467	2.1
429.21368	1.4
429.53497	1.3
430.17612	2.8
431.18405	2.5
443.18497	2.3
444.19476	2.7
445.20190	12.2
446.21259	2.8
458.21103	8.9
459.21466	8.4
460.22739	9.2
461.19528	5.6
475.21194	2.0
476.21500	1.4
477.23087	4.9
486.23688	1.6
518.23120	5.3
533.25299	3.9
545.25464	2.6
546.26215	2.7
547.27289	1.3
577.27948	3.6
605.27631	13.9
637.30200	100.0
638.30518	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	637.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01280	1.2
53.03948	11.4
55.01654	1.2
55.01870	12.0
55.05256	1.5
55.05511	24.4
57.03433	7.7
59.04998	2.6
65.03946	1.9
67.05172	1.8
67.05506	26.6
69.03429	20.5
69.07075	8.4
71.01330	1.5
71.04987	10.0
71.61095	1.8
78.39773	1.2
79.05491	32.7
81.03416	100.0
81.07053	30.7
83.01338	5.1
83.04475	1.7
83.04973	23.9
83.08621	20.2
85.02904	20.1
85.06541	1.4
87.04435	1.3
91.05480	24.6
93.06462	1.6
93.07040	30.4
95.04971	22.1
95.08608	14.9
97.02892	17.6
97.06532	8.3
97.10167	8.6
99.04453	8.0
103.05457	2.4
105.07028	19.1
107.04946	12.0
107.08592	18.0
109.02879	19.7
109.06505	7.9
109.10136	7.8
110.49399	1.2
111.04434	18.0
111.08077	8.1
113.05957	2.7
115.05458	1.6
117.07006	9.7
119.04942	2.8
119.08581	16.2
121.06494	6.2
121.10146	12.8
123.04429	2.0
123.08071	6.4
123.11735	1.7
125.05978	2.6
125.09618	4.8
127.03913	13.4
128.06265	1.3
129.05455	1.8
129.06995	9.7
130.07750	1.2
131.08575	8.3
133.06511	2.8
133.10123	8.2
135.08099	3.0
135.11682	13.3
137.09615	1.7
141.07050	1.1
142.07762	1.5
143.08565	2.6
145.04997	1.2
145.06494	2.9
145.10123	14.5
147.08044	4.7
147.11700	10.8
149.05977	2.6
149.09618	3.6
151.11275	1.4
153.09099	1.1
153.12715	9.8
155.08502	1.9
157.06419	1.7
157.10112	8.1
157.48444	1.3
159.08034	1.4
159.11667	1.7
161.06007	1.5
161.09605	1.2
161.13254	1.3
163.11176	20.3
165.12747	3.4
167.06981	2.1
169.10297	1.2
171.08090	1.7
173.04454	3.6
173.09637	3.7
175.11188	5.1
181.12279	10.1
183.06410	1.2
189.11232	3.0
189.12773	2.3
191.10649	9.2
193.12245	27.9
209.11696	7.7
211.13281	41.3
227.12769	15.7
229.14444	1.5
231.13812	1.4
255.13924	1.5
265.14395	2.1
267.15884	9.3
271.13364	1.5
273.14871	3.3
277.14529	1.9
283.15433	14.2
285.17081	3.5
289.14539	1.5
293.60678	1.4
301.14258	1.8
319.15533	2.1
337.16516	3.9
353.16013	5.8
355.17590	5.3
383.22263	3.9
393.18985	1.4
401.23291	1.9
411.20166	4.3
427.19952	2.5
430.70334	1.2
457.25723	5.0
475.26703	8.3
493.27963	15.8
619.30963	7.2
637.32104	56.3
638.33142	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.9
59.79128	1.3
63.15215	1.2
71.05475	3.5
79.05468	2.0
81.07034	1.7
92.85661	1.5
93.07065	1.4
95.08598	2.8
109.10128	2.3
121.10184	1.6
124.25691	1.3
136.88040	1.5
242.89615	1.2
257.10724	1.5
391.19403	1.7
393.20633	3.3
400.16852	2.7
401.17877	3.2
407.22198	3.3
413.17752	4.7
414.18304	6.1
415.19333	9.3
416.19635	2.4
425.17651	2.3
428.20065	4.6
429.21478	8.7
430.21640	2.9
435.22046	2.0
443.18436	4.4
443.23251	2.2
444.19351	4.5
445.20209	2.9
447.18130	1.8
457.20203	5.3
458.20963	4.4
459.73367	1.4
471.22198	8.9
472.23450	6.6
473.19766	6.1
475.17273	1.6
485.20374	2.6
486.20242	7.3
487.21262	1.8
490.20111	3.2
499.21298	12.6
500.21939	3.0
503.24240	4.0
514.19537	1.7
516.21545	2.3
517.22430	3.6
527.20367	2.3
531.24097	13.5
549.24475	1.5
559.23438	100.0
560.23676	3.2
587.22949	20.9
619.25568	93.4
620.25177	1.8
637.26678	9.7
637.36627	1.6
637.45056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61402	6.7
55.05509	24.5
57.03426	9.4
57.07069	6.9
65.08120	6.5
67.05499	32.2
69.03442	34.7
69.07059	18.4
71.05003	14.7
71.35240	11.9
79.05496	19.2
81.03422	9.1
81.07063	61.2
83.04985	20.0
83.08641	16.0
85.02905	62.8
91.05483	26.7
93.07063	54.6
95.04940	13.3
95.08617	76.9
97.02901	9.7
97.06542	8.5
98.97561	8.6
105.07018	71.8
107.08598	71.9
109.06528	7.3
109.10161	56.1
111.04459	13.4
111.08096	23.6
117.13637	7.5
119.08573	100.0
121.10143	56.8
123.11681	18.5
127.03925	14.3
129.05472	13.5
129.07014	8.6
131.08572	42.8
133.10136	60.8
135.11688	35.4
143.08522	15.8
145.10159	55.3
147.11717	54.9
149.13289	47.6
152.40620	7.2
157.10149	19.7
159.11665	48.4
159.83505	6.6
161.13293	45.1
163.14873	12.8
165.09052	7.9
167.07069	35.5
169.10170	9.2
171.11714	24.2
173.13266	38.5
175.14835	56.4
177.16417	27.3
183.11742	12.5
185.13252	18.2
187.14827	38.0
189.16412	49.8
197.13214	10.2
199.14899	31.8
201.16393	90.7
203.14320	7.2
203.17964	28.5
205.15868	24.0
207.17480	39.3
211.14978	12.9
213.16370	21.2
215.17960	23.0
217.15785	12.5
219.17424	10.0
225.16331	8.9
227.17947	12.9
233.19090	11.6
239.17972	12.1
241.19249	7.8
245.15411	12.3
247.16974	42.0
259.17197	13.6
266.68704	7.3
308.87878	8.4
389.32120	13.6
395.29385	7.3
405.31168	14.6
407.33170	44.6
423.32571	10.9
433.31155	9.2
435.32712	65.0
451.32339	9.1
453.33725	40.5
523.64294	7.6
633.39819	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	636.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01865	2.3
55.05515	9.1
57.03423	1.9
57.07061	3.0
58.90470	1.3
59.57926	1.3
62.74277	1.3
64.33150	1.3
65.03928	2.1
67.05505	10.0
69.03411	5.5
69.07066	22.6
71.04968	4.5
71.61034	1.6
79.05486	11.6
81.03397	4.5
81.07053	51.9
82.07408	1.7
83.04984	10.3
83.08607	7.8
85.02886	5.6
85.06544	6.8
85.48159	1.4
91.05476	9.9
93.07038	25.5
95.04977	3.2
95.08027	2.5
95.08604	29.6
97.06523	4.9
97.10142	2.8
99.04437	2.6
99.08058	1.6
105.07028	38.1
107.08595	30.8
109.02867	1.9
109.06513	12.8
109.10154	31.0
109.52567	1.3
111.08060	3.7
111.11693	4.4
119.08582	17.9
121.10133	23.1
123.08047	4.8
123.11706	40.1
127.03872	2.1
127.07536	5.1
127.11140	2.3
131.08539	3.9
133.10130	20.7
135.08076	2.5
135.11688	18.8
137.05923	1.6
137.09645	1.6
137.13275	3.8
139.11183	3.0
143.08601	1.4
145.10124	7.4
145.23126	1.4
147.11679	65.4
149.00421	1.4
149.09651	7.8
149.13260	8.7
151.11168	31.5
153.12755	2.3
157.10078	2.1
159.11661	6.2
161.13274	8.1
163.11118	3.5
163.14783	4.6
165.12750	39.0
169.10175	1.5
169.12294	6.6
171.11676	2.7
173.13246	2.2
175.11168	5.5
175.14771	3.6
177.12817	3.7
177.16356	3.5
179.10675	5.2
183.13892	1.8
183.22185	1.3
187.14796	1.7
189.16354	1.9
191.17889	1.8
192.28371	1.4
193.12239	37.7
195.13815	5.0
201.16412	2.9
203.17920	4.5
207.13739	5.9
211.13219	3.3
213.14763	2.8
215.12723	9.1
229.12057	2.3
229.14339	44.0
243.15862	5.1
257.18930	1.9
263.20020	3.3
267.15729	1.4
277.21600	4.0
293.25049	2.3
299.23660	3.9
317.24744	70.9
335.25790	100.0
336.26053	1.7
353.26816	10.8
411.38602	1.7
433.15323	1.4
439.89603	1.6
479.20212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.05523	21.8
57.03421	10.0
57.07069	9.0
67.05506	27.9
69.03424	24.5
69.07058	21.3
71.04984	15.0
71.61957	4.6
73.02923	9.9
79.05492	28.1
81.03423	12.3
81.07062	66.3
83.04980	19.6
83.08635	11.0
85.02905	78.2
85.06532	5.5
91.05490	30.8
93.07047	58.3
95.04971	9.5
95.08607	90.5
97.02917	10.1
97.06523	7.8
99.04476	7.3
103.03954	4.6
105.07035	67.9
107.08609	64.5
109.02888	7.0
109.06459	5.5
109.10166	65.5
111.04477	10.9
111.08071	16.3
117.07011	13.6
119.08584	100.0
121.10161	51.2
122.06000	5.2
123.08063	9.0
123.11710	23.9
125.06066	4.5
125.09632	7.1
127.03903	12.1
129.05498	25.8
131.08595	36.9
133.10133	58.2
135.11710	35.7
137.08594	4.5
137.09612	10.9
137.13329	4.4
140.07085	8.5
142.07869	5.0
143.08562	17.6
144.09415	5.8
145.04977	16.9
145.10138	61.9
147.06462	7.2
147.11705	56.6
149.13255	45.0
151.07544	5.4
151.11253	4.9
153.05527	4.4
155.08566	5.7
157.10115	24.9
159.11673	50.1
161.13260	39.4
163.07550	7.8
163.11255	7.7
163.14833	16.2
165.09172	10.0
165.12735	4.7
167.07074	29.2
169.10172	5.2
171.11699	15.9
172.03899	6.5
173.13275	39.6
175.07759	4.5
175.14844	50.9
177.16342	25.6
183.11636	10.5
185.13251	13.7
187.14803	37.5
189.16367	52.4
191.10596	4.8
191.14310	5.1
191.17879	21.8
197.13254	11.1
199.14856	19.1
201.16391	93.2
203.14211	4.6
203.17998	40.5
204.06622	8.1
205.15907	19.6
207.17459	28.3
209.13255	7.8
211.14793	9.0
213.16405	19.1
215.17924	18.9
219.13750	6.5
219.17433	7.2
221.15341	8.9
225.16513	7.4
227.17845	7.4
231.17581	7.3
233.19028	11.4
239.18047	11.8
241.19719	12.8
245.15343	14.7
247.16985	38.9
253.19489	8.0
259.16992	11.6
267.21106	8.5
271.14365	5.7
279.20895	6.0
287.20166	4.9
289.15430	9.6
297.18625	4.8
299.59042	4.9
303.23257	12.8
313.11975	7.5
331.13068	4.6
353.24463	6.0
358.15823	4.7
389.32068	16.7
395.29355	8.1
400.16504	6.5
401.17554	10.2
402.18121	8.9
405.31519	9.0
407.33099	40.5
423.32449	12.2
425.33588	5.3
433.31113	17.4
435.32623	72.3
453.33890	36.1
460.18607	9.3
461.19513	7.2
601.26581	32.8
633.31396	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	633.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.05497	0.4
67.05473	0.5
69.03397	0.4
69.07050	0.4
71.04977	0.6
71.61709	0.5
78.04691	1.5
79.05513	1.6
81.03411	0.4
81.07066	1.6
85.02888	1.3
91.05488	1.3
93.07018	1.1
95.04961	0.7
95.08591	1.0
97.06512	0.5
103.05429	0.6
105.07042	2.0
106.04166	1.0
107.04956	1.2
107.08598	1.0
109.06482	0.4
109.10136	0.9
111.12907	0.3
115.05462	0.3
117.22159	0.3
119.08578	1.2
121.06502	0.7
121.10125	0.9
123.04433	4.0
124.05179	1.6
129.07022	0.4
133.06467	1.3
133.10143	0.4
135.08058	0.5
135.11655	0.6
137.05956	0.7
145.10107	0.5
149.05966	0.7
149.13205	0.3
151.03929	0.8
151.07603	0.3
152.04688	1.2
157.10074	0.6
161.05980	1.2
165.09117	1.4
167.07037	100.0
168.07365	0.7
173.13263	0.4
179.07031	0.4
181.08595	1.4
185.13290	0.4
193.08603	5.8
195.10170	0.7
199.14851	0.4
201.16508	0.5
211.09668	5.3
219.17435	0.3
495.46671	0.4
633.34735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01503	0.2
57.03428	0.3
58.44822	0.3
60.62101	0.2
64.87600	0.3
70.06583	0.4
71.05005	2.5
71.61396	0.5
76.07314	0.3
85.02905	2.7
86.09707	0.3
87.04487	0.3
105.07023	0.5
121.06416	0.3
127.03854	0.3
137.06020	0.5
167.06990	0.4
179.07037	0.3
185.04231	0.8
189.25645	0.3
209.08101	0.8
210.08498	0.6
211.09624	0.5
225.07692	0.5
243.08366	0.4
303.04974	1.8
304.05420	0.6
324.02365	4.6
325.03058	1.9
331.09964	11.7
343.03210	0.5
361.03931	2.2
377.01880	0.4
381.01202	1.0
382.01270	0.3
487.08194	1.3
633.14240	100.0
634.14691	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48025	0.9
53.03930	1.8
55.05513	8.5
57.03182	0.9
57.03443	13.8
57.07083	0.8
58.44468	0.8
60.68626	0.7
61.02917	2.0
63.89816	0.7
65.03947	1.2
67.05506	33.3
69.03432	1.6
69.07068	9.1
70.54199	1.1
70.54532	1.4
71.01340	2.7
71.04995	3.8
72.70384	0.8
79.05495	30.9
80.40878	0.8
81.03418	3.5
81.07059	15.2
83.04996	7.3
83.08613	2.1
85.02897	4.4
85.06544	2.3
89.17902	0.7
91.05484	12.1
93.07050	32.7
95.04976	3.0
95.08607	4.5
96.58919	0.7
97.02899	1.0
97.06528	9.3
97.10175	7.4
98.21416	0.9
99.04430	0.9
99.08105	0.9
103.35191	0.8
105.07033	4.6
107.04949	1.5
107.08595	25.3
107.67142	0.7
109.06520	1.4
109.10175	4.1
111.08062	2.1
113.06112	0.8
113.43823	0.7
117.07025	3.5
119.08590	5.8
121.06550	1.1
121.10153	5.1
129.06975	1.1
131.36501	0.8
132.83919	0.8
133.10086	4.9
135.08122	1.8
135.11700	41.9
137.09622	1.6
140.87975	0.7
145.10141	8.9
153.12723	1.2
159.11780	0.9
163.11205	6.8
167.08202	0.7
181.12259	9.3
193.05301	0.8
193.12151	0.9
199.13310	2.3
202.79135	0.8
211.13310	1.3
248.22011	0.8
255.13751	0.9
255.15927	56.6
435.27454	100.0
436.27667	1.4
439.26816	1.6
479.30151	1.3
563.97797	0.8
632.32867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01875	1.8
55.05500	4.6
56.96537	1.4
57.07051	1.8
62.39048	1.4
62.50175	1.1
65.03916	1.4
67.05518	6.4
69.03439	3.1
69.07075	8.7
70.34153	1.3
71.01364	1.4
71.04989	3.3
71.61393	1.6
72.08828	1.1
73.02903	1.6
79.05484	9.3
81.03417	2.0
81.06624	2.0
81.07055	18.2
83.08613	3.9
84.08148	1.6
85.02911	9.7
85.06536	2.4
85.13329	1.2
91.05470	11.3
93.07046	16.0
95.01312	1.4
95.04977	2.1
95.08603	29.3
97.02895	2.0
97.06530	2.7
97.10127	2.8
99.08074	5.8
105.07030	30.2
107.05002	1.6
107.08594	27.7
109.06502	2.5
109.10149	15.2
111.11726	1.8
113.02372	1.5
114.03263	1.4
117.07012	5.0
119.08581	42.1
121.10152	17.1
123.08054	2.9
123.11714	6.2
125.05972	3.2
125.09592	2.8
128.98634	1.6
131.04939	4.2
131.08574	17.7
133.10133	32.3
135.04453	1.7
135.08070	1.7
135.11700	29.1
137.06044	2.4
137.09567	1.6
137.13260	2.3
141.01801	2.0
143.08548	4.9
145.06482	1.6
145.10120	14.3
147.08035	5.3
147.11678	20.0
149.05986	10.8
149.09608	1.6
149.13240	8.7
151.07599	1.7
151.11191	2.9
157.10133	4.2
159.11699	11.6
161.13255	9.6
163.07527	2.1
163.14807	13.6
165.09070	2.2
167.07045	4.8
167.08501	1.4
169.10159	1.6
171.11667	3.0
173.09680	1.5
173.13266	12.7
175.11180	1.5
175.14812	11.1
177.16371	5.7
178.96574	1.4
181.04962	2.9
183.11723	2.1
187.14861	9.6
189.16377	58.0
191.17950	34.1
197.13235	1.5
199.14824	3.8
201.12802	3.0
201.16396	31.0
203.14331	2.4
203.17950	13.2
205.04985	1.4
205.19594	2.8
207.17442	100.0
213.16394	3.5
215.14436	1.9
215.17966	4.9
216.17026	1.5
217.19308	2.3
219.13785	21.3
219.17288	2.0
221.15347	1.7
229.19563	1.8
247.16916	12.4
253.19254	1.5
255.21080	3.5
261.18451	1.6
391.33453	4.4
409.34476	1.8
423.32562	6.6
437.34207	17.7
441.33670	48.3
501.29349	1.6
559.68243	1.4
571.23975	2.7
578.67328	1.4
631.23065	1.7
631.32452	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	631.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.05513	7.1
65.03947	3.3
67.05499	33.8
67.15192	2.9
69.03425	6.0
69.07064	22.8
69.68136	19.6
75.22713	3.4
79.05494	15.9
81.03430	4.5
81.07054	56.2
81.07526	5.2
83.08624	7.2
85.02905	9.5
91.05479	22.5
93.07053	44.2
95.01322	7.4
95.04973	4.5
95.08605	100.0
97.02891	22.4
97.06532	3.2
97.10188	6.2
98.21490	3.2
105.07024	60.4
107.08598	85.3
109.06527	6.5
109.10161	77.6
111.08089	11.6
113.02362	3.3
115.03975	5.3
117.07030	9.2
119.08576	96.8
121.10141	50.7
123.11706	16.1
125.02378	14.3
125.09651	3.8
131.08575	26.2
133.10127	78.2
135.11676	26.9
141.01820	8.5
143.08575	14.2
144.09372	5.0
145.10133	57.5
147.11699	42.7
149.13268	40.7
153.09123	4.4
157.10149	11.2
158.10803	3.3
159.11707	56.3
161.13272	41.6
163.14824	26.5
165.09212	3.7
169.10110	7.0
171.11746	10.6
173.13263	33.6
175.14819	31.6
177.09224	3.8
177.16391	22.4
183.11652	3.6
185.13289	13.2
187.14833	35.7
189.03935	8.5
189.16393	92.6
191.14316	3.0
191.17921	17.9
197.13271	7.4
199.14764	16.4
201.16394	84.8
203.14360	3.9
203.17952	80.1
205.15875	4.2
205.19489	4.5
207.17467	6.3
211.14851	5.7
213.16423	19.6
215.17952	28.0
217.19563	5.6
219.17403	5.6
225.16405	5.6
227.17917	11.6
229.19516	11.4
235.16985	9.1
236.56595	3.4
239.18089	4.0
241.19571	6.2
243.21017	3.7
247.16957	22.0
249.18512	7.3
253.19482	8.2
255.21011	5.3
261.18579	8.4
267.21127	5.4
273.18280	3.6
281.22720	6.9
283.24258	6.5
285.18289	3.5
287.20096	3.5
295.24332	4.7
327.23184	6.1
329.24786	9.0
341.24750	4.1
343.26410	4.0
365.19611	4.8
379.21063	5.1
389.31854	8.1
391.33588	15.7
407.33032	5.9
409.34744	13.9
425.34323	3.8
435.32529	30.1
437.34119	56.5
455.35046	7.5
549.35968	3.2
567.36694	22.9
585.38409	7.9
595.37067	5.9
613.37201	11.2
631.38220	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	629.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01862	0.6
55.05515	2.7
55.23367	0.5
57.03441	1.7
57.07081	3.4
63.24566	0.5
67.05506	7.3
69.07080	2.9
69.07398	0.5
70.42793	0.5
71.04982	0.5
71.08625	2.8
71.62633	0.6
79.05499	4.5
81.03407	0.8
81.07056	6.8
83.04988	0.6
83.08619	1.8
85.10187	1.2
89.06038	2.0
90.22408	0.5
90.36214	0.4
91.05485	2.8
93.07054	4.8
95.04989	0.7
95.08595	4.9
95.09071	0.5
97.06566	1.3
97.10155	1.2
99.08127	0.8
105.07037	2.7
107.08603	2.7
109.10172	3.2
117.07023	0.7
119.08601	1.9
121.10174	2.1
122.62368	0.5
123.11752	0.9
131.08592	1.2
133.10158	1.3
135.11696	1.2
145.10109	1.1
147.11703	1.1
149.13228	1.0
157.10254	0.6
159.11703	1.0
161.13284	0.5
183.89754	0.6
241.19595	0.6
276.20523	0.6
277.21622	1.2
313.27426	1.1
317.20853	9.7
317.24466	0.7
335.25888	1.2
351.25107	0.9
373.23404	4.2
523.62756	0.6
531.40845	3.0
611.46442	2.3
629.47546	100.0
630.47882	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	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45413	5.0
54.41282	4.4
55.05500	17.7
57.07082	5.9
59.24470	5.0
67.05495	19.6
69.07060	20.8
71.60543	6.3
73.39598	4.5
74.10917	5.4
76.48134	4.5
79.05495	15.8
81.07057	44.2
83.08622	11.4
85.02943	6.0
91.05482	22.2
93.07037	42.0
95.01295	8.1
95.04957	6.0
95.08606	65.8
99.08106	6.6
105.07024	51.4
107.08582	60.3
109.10144	36.8
111.08112	5.0
117.07012	11.8
119.08595	72.5
121.10143	50.4
123.11700	20.4
131.08566	30.9
133.10139	52.9
135.11671	33.0
137.13264	7.2
141.01840	6.0
143.08521	9.2
145.10129	46.8
147.08072	5.1
147.11696	47.1
149.13240	21.1
149.62868	4.9
157.10161	10.3
159.11690	35.9
161.13269	26.3
163.14781	19.7
169.10074	7.1
171.11682	13.3
173.13252	27.0
175.14857	22.0
177.16423	9.8
181.12228	5.8
187.14841	33.8
189.16338	38.6
191.17935	99.3
197.13350	6.4
199.14932	10.2
201.16388	100.0
203.17941	45.0
205.19482	5.6
212.15388	5.8
213.16379	17.0
215.17979	17.6
217.19579	14.7
219.17435	10.4
221.15392	5.7
229.19487	11.9
243.21149	5.6
247.16914	29.5
255.21124	14.8
269.22690	5.8
391.33652	12.0
409.34564	13.1
437.34155	81.9
455.35083	17.9
585.37701	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	629.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.4
57.03426	3.8
57.07103	3.1
67.05510	20.5
69.03426	5.2
69.07076	15.2
70.93439	3.5
70.93789	6.2
73.02907	8.5
79.05480	14.5
81.07059	32.4
83.08613	12.4
85.02922	16.1
85.91077	2.9
90.29539	3.1
91.05468	20.3
93.07032	26.4
93.25626	2.5
95.04961	3.8
95.08601	49.8
105.07023	37.9
107.08599	43.1
109.10143	32.0
113.02331	4.5
117.07022	9.0
119.08575	100.0
121.10142	37.1
123.11694	11.9
129.07030	4.3
131.08537	20.0
133.10141	37.0
135.11696	29.8
135.37930	2.7
137.13277	5.1
141.01802	2.8
142.07652	5.3
143.08563	12.7
145.10107	47.4
147.11667	27.2
149.13237	8.6
151.11270	3.2
156.09297	2.9
157.10121	17.6
158.10873	3.5
159.11681	41.0
161.13257	25.7
163.07529	10.0
163.14839	6.7
169.10144	8.0
171.11707	11.5
173.13277	16.7
175.14847	14.2
177.16405	11.1
183.11679	7.4
185.13226	19.0
187.14812	37.5
189.16383	94.5
189.18091	5.2
191.17946	37.0
197.13255	5.8
199.14832	34.7
201.16368	56.6
203.10596	4.3
203.17961	32.5
207.17465	5.5
213.16359	13.8
215.17992	9.1
217.12209	3.6
217.19464	5.2
219.13702	4.2
227.18015	5.7
229.19521	4.4
231.13809	6.0
233.15395	11.3
237.16542	3.0
243.21085	12.0
245.15421	23.9
247.16866	7.2
255.21140	19.4
257.15323	6.1
273.18561	4.1
389.32025	13.0
391.33762	4.3
407.32578	4.2
419.95468	3.1
435.32614	77.0
453.33524	6.5
629.37872	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	629.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01852	3.7
55.05513	13.6
56.96567	3.7
57.07071	4.7
65.03943	3.8
67.05516	20.3
67.39486	2.1
69.03416	5.5
69.07077	14.2
69.69607	12.1
71.04987	3.6
73.02915	5.3
78.04722	2.5
79.05497	16.1
80.73723	2.2
81.03412	2.8
81.07065	38.4
83.05031	2.2
83.08623	6.1
85.02905	16.5
85.06537	5.4
91.05496	21.1
93.07050	28.6
95.01352	3.1
95.04977	3.5
95.08610	63.9
97.02856	4.2
97.06514	7.5
97.10139	2.6
98.97570	4.7
99.08063	2.5
101.19232	2.2
103.05491	4.8
105.07034	46.3
107.04941	7.5
107.08607	50.7
109.02901	3.3
109.06526	3.4
109.10162	36.2
111.08059	3.6
113.02352	6.8
117.07027	7.4
119.04927	3.4
119.08593	93.2
119.09453	5.0
121.10149	36.6
123.04449	5.9
123.11746	15.2
124.05240	2.8
125.05994	4.4
129.07060	5.3
131.08577	26.2
133.06502	2.9
133.09224	3.4
133.10139	39.1
135.04350	2.6
135.11694	27.6
137.05963	11.8
137.09583	4.7
137.13239	5.6
139.07523	2.8
141.01862	4.3
141.06995	3.0
142.07765	2.9
143.08551	11.0
145.06425	4.3
145.10138	58.3
147.04404	4.8
147.11681	29.6
149.05907	3.6
149.13239	11.6
151.03925	3.8
151.07509	6.9
153.05444	3.9
155.08496	4.3
157.10181	21.5
158.10945	2.5
158.99687	2.9
159.08153	3.3
159.11694	39.2
161.05972	4.4
161.13272	25.2
163.03946	4.2
163.07530	10.1
163.14818	7.1
167.07053	78.0
168.07326	3.3
169.10085	6.4
171.11700	16.0
173.09517	2.8
173.13248	22.4
175.07616	3.1
175.14827	16.3
177.05513	2.5
177.09151	3.9
177.16354	10.2
179.06999	6.9
181.04965	18.5
181.08566	3.2
181.10068	3.1
183.11714	7.0
185.13275	19.0
187.14832	38.5
189.09109	3.2
189.16388	100.0
191.10709	3.1
191.17934	32.3
192.01080	2.4
193.08603	7.9
193.12332	3.4
195.06580	3.4
195.11568	3.6
197.13286	6.7
199.11078	3.0
199.14832	33.2
201.16394	51.2
203.10579	3.0
203.17929	29.8
205.19431	3.2
207.06642	2.8
207.17409	2.9
209.08098	7.5
209.13261	4.0
211.09737	2.6
211.14862	7.1
213.16388	14.7
215.14430	3.8
215.17952	11.4
217.15961	3.3
217.19504	3.5
219.13846	3.2
225.16493	3.0
227.17882	3.5
229.19592	6.1
233.15327	5.1
239.39217	2.5
241.19385	4.4
243.21060	6.7
245.15379	14.6
247.16884	12.9
249.02795	3.5
251.09044	3.2
253.19576	3.4
255.11209	4.4
255.21129	15.1
259.16934	3.7
270.17169	3.4
279.20996	2.8
281.22571	2.5
291.04025	2.7
293.22720	3.1
389.31985	14.8
391.33676	3.5
402.12689	3.0
407.32904	4.1
415.14819	3.1
435.32660	75.2
453.33862	5.3
529.39404	2.5
597.24152	4.0
629.33197	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	629.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28029	2.6
55.01867	6.1
55.05514	15.3
57.03443	4.9
57.07063	3.1
65.03941	6.0
67.05509	29.4
69.03432	9.0
69.07072	22.0
71.04980	4.9
71.61773	5.1
73.02936	4.2
73.15877	2.9
79.05491	24.1
79.69857	2.8
81.03419	4.1
81.07059	56.1
83.08611	6.5
85.02918	23.5
91.05480	31.9
93.07049	48.7
94.59303	3.0
95.01334	10.7
95.04995	4.7
95.08609	73.8
97.02875	21.0
97.06538	6.6
98.97614	5.4
99.04455	3.9
105.07027	56.0
107.08587	64.3
109.06538	3.5
109.10162	57.4
110.97546	3.2
111.08086	8.4
115.03936	6.4
117.07021	9.3
119.08587	85.3
121.06502	5.2
121.10143	45.0
123.08115	4.4
123.11705	13.9
125.02373	10.0
125.05992	4.4
125.09628	4.6
129.07005	4.9
131.04932	3.3
131.08566	33.8
133.10144	61.5
135.08005	3.2
135.11690	25.1
137.05969	5.6
137.09599	4.4
137.13213	3.4
139.07516	6.5
141.01822	10.1
143.08592	21.9
144.09428	3.2
145.10124	71.3
147.11685	44.9
149.06021	3.8
149.09561	5.2
149.13266	29.5
151.07582	5.7
153.09174	4.7
155.08600	4.5
156.09399	4.9
157.10124	22.3
158.07169	3.4
159.11700	45.2
161.09671	4.3
161.13261	45.8
161.14566	4.3
163.03891	4.5
163.11194	4.2
163.14810	13.4
165.12801	6.3
167.07047	12.5
167.08472	4.1
169.10136	7.8
171.11732	19.4
173.13271	43.5
175.11150	4.1
175.14822	37.1
177.12776	4.5
177.16362	14.5
179.07010	4.6
179.10757	3.7
181.04997	12.4
181.10101	4.2
181.12198	4.3
183.11731	13.8
185.13239	19.5
187.14824	43.5
189.03941	8.8
189.16402	54.7
195.11725	4.3
197.13269	11.9
199.14854	28.5
201.16382	100.0
203.17984	23.4
205.15845	8.1
207.13855	3.5
209.08054	11.0
209.11600	3.9
209.13362	5.6
211.14824	10.6
213.16351	25.1
215.17862	14.2
217.15858	5.2
219.17448	9.3
223.14833	4.1
225.16435	9.8
227.17976	8.3
229.19597	3.5
231.17352	5.2
233.15379	3.9
233.19000	4.2
237.16386	4.6
239.17946	6.7
241.19560	5.5
245.15424	8.7
247.16978	22.6
251.17842	4.4
253.19528	9.8
257.15469	3.9
259.16898	9.8
267.20978	3.9
279.21130	5.0
281.22681	5.6
287.20163	4.5
293.22531	4.6
325.21707	5.9
327.23041	5.3
341.24713	6.0
365.19772	6.1
387.30496	7.2
389.31989	13.4
395.29428	5.9
405.31470	7.2
407.33075	21.8
421.24054	3.2
423.32785	4.0
431.31516	12.8
433.30948	14.2
435.32614	60.3
449.32559	9.1
451.32190	5.7
453.33777	17.3
466.50763	3.6
467.33597	8.2
565.35358	18.2
569.22278	6.7
583.36237	15.2
611.35229	10.7
629.37775	26.8
639.70074	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	629.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
55.05509	10.8
67.05518	26.3
69.03432	6.2
69.07052	20.8
71.01360	5.2
71.30629	4.7
79.05491	18.5
81.03463	5.2
81.07057	48.4
83.04948	4.2
83.08614	10.6
85.02910	8.5
91.05478	32.8
93.07047	47.8
95.01349	5.6
95.08602	77.0
97.02890	16.0
97.06539	6.6
97.10188	5.1
105.07032	59.3
107.08595	66.9
109.10162	49.0
111.08027	8.1
117.07034	15.3
119.08582	98.8
121.10131	41.3
123.11703	7.7
125.02367	6.6
129.07030	5.7
131.08571	43.4
133.10136	57.9
135.11655	20.4
137.09598	5.7
137.26114	5.1
141.01830	10.7
143.08549	17.3
145.10114	61.9
147.11697	40.9
149.09674	4.9
149.13284	34.3
155.08527	8.7
156.09331	4.8
157.10118	28.7
159.11702	53.6
161.13260	45.4
163.14815	17.0
167.07019	17.5
169.10159	12.5
171.11720	17.5
173.13272	45.3
175.14845	41.7
177.16359	18.0
181.04915	8.4
183.11668	13.9
185.13254	15.2
187.14798	50.7
189.03908	5.7
189.12730	5.3
189.16385	67.2
191.17937	10.9
197.13211	11.1
199.14821	35.5
201.16388	100.0
203.17967	21.2
205.15826	8.9
207.17439	8.3
211.14859	7.7
213.16357	19.0
215.17929	20.6
217.19576	6.6
221.15401	5.1
225.16472	11.4
227.17908	8.4
231.17369	8.0
233.18935	8.0
239.17967	8.8
243.11429	5.7
245.15311	12.3
247.16992	23.5
253.19492	7.8
259.16803	6.6
271.16910	4.6
285.12372	6.1
297.18262	5.2
327.23361	6.7
341.24701	7.6
343.83282	4.6
365.19650	8.2
389.31949	17.9
395.29523	7.4
405.31360	6.4
407.33096	27.0
433.31073	21.3
435.32599	57.3
449.32434	5.8
453.33453	22.0
469.28049	5.0
565.34967	18.8
583.36261	16.3
611.35504	12.0
629.29803	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	629.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72801	3.3
55.05506	14.3
57.07064	4.2
67.05493	21.0
69.03421	3.4
69.07046	15.2
73.02904	4.2
79.05485	20.4
81.07058	47.5
83.04969	2.9
83.08606	12.8
85.02898	9.3
91.05479	22.9
93.07050	35.7
95.01324	7.0
95.04962	4.3
95.08610	63.6
97.02897	9.9
97.09314	2.8
97.10160	2.8
99.08099	3.6
105.07021	60.8
107.08593	54.4
107.81111	3.2
109.06502	3.9
109.10154	46.2
111.08064	7.5
113.02310	3.7
117.07008	9.8
119.08577	100.0
121.10147	31.4
123.11693	11.5
125.02341	4.3
129.06956	7.1
131.08557	31.5
133.10129	58.0
135.11676	21.6
135.85762	3.3
141.01830	13.0
143.08536	12.3
145.10123	73.2
147.11681	34.8
149.13243	43.8
157.10112	26.7
158.10817	4.0
159.07948	3.7
159.11697	51.1
161.09637	4.8
161.13240	34.2
163.14824	8.4
167.07008	3.5
169.10123	6.4
171.11656	20.5
173.13275	39.2
175.14822	32.7
177.12727	3.6
177.16405	9.5
183.11656	6.3
185.13205	16.8
187.14771	38.3
189.16386	59.4
191.17973	8.6
197.13283	8.6
199.14799	24.3
201.16379	95.3
203.17981	18.4
205.15898	13.7
207.17422	7.5
209.13268	5.0
211.14885	10.7
213.16403	10.2
215.17961	15.0
217.15872	4.6
217.19510	4.6
219.13806	4.8
219.17403	6.1
225.16286	3.9
227.17996	10.0
229.06747	4.5
229.15887	4.4
231.17494	4.8
233.15395	3.6
239.18073	4.9
241.19493	5.3
245.15430	4.4
247.17012	20.2
253.19484	4.6
259.16873	3.8
265.25531	3.5
281.22580	3.6
299.20129	4.2
302.13004	3.0
306.25165	3.2
322.88196	3.0
365.19595	7.6
381.25888	4.0
389.31918	11.5
395.29269	6.9
405.31805	7.0
407.33124	15.6
423.32846	3.8
431.31427	3.7
433.31082	7.2
435.32419	35.5
449.32416	5.5
453.33389	11.9
565.35083	7.4
583.35913	11.3
611.36346	3.7
629.30603	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
53.04156	1.8
55.01873	11.9
55.05510	31.7
57.03442	17.9
57.07061	3.0
59.51685	1.7
65.03938	4.2
67.05505	78.9
67.05869	4.2
69.03413	2.1
69.07068	26.6
69.34221	6.8
69.34634	7.8
71.04991	4.5
79.05048	3.7
79.05494	60.2
81.03410	5.1
81.07056	100.0
83.04972	7.1
83.08630	9.2
85.06524	5.1
88.97014	1.8
91.05480	64.4
91.36435	1.7
93.06458	3.3
93.07049	60.9
94.09023	1.7
95.01329	2.5
95.04980	11.2
95.08607	58.8
97.06528	21.7
97.10172	5.8
97.42771	1.9
99.04454	2.8
99.08111	3.0
105.07031	53.7
107.04949	6.7
107.08591	34.0
109.06525	19.1
109.10162	19.7
117.07016	18.2
119.08585	36.4
121.06519	4.1
121.10144	26.4
123.08074	5.4
123.11691	7.2
125.09624	2.8
129.06979	4.0
131.08568	24.6
133.06496	2.3
133.10133	31.2
135.08081	5.1
135.11690	9.7
137.09601	4.0
141.06909	1.7
143.08565	4.2
145.10127	18.8
147.11659	17.1
149.09647	7.1
149.13242	7.1
157.10129	6.8
159.11687	14.2
161.09605	2.3
161.13260	6.0
163.11143	3.6
163.14841	4.4
169.10222	2.1
170.39159	1.8
171.11708	2.5
173.13251	7.4
179.14296	6.9
182.90970	1.8
183.11678	3.3
185.13330	2.7
187.14845	4.3
199.14864	2.1
201.16457	5.6
204.04097	1.7
219.17447	85.4
229.19499	2.4
247.20615	3.0
257.18997	7.4
261.22217	3.3
275.20056	65.7
288.23651	2.2
291.19235	1.9
293.21124	5.2
335.25790	92.5
349.23639	20.4
529.38330	4.4
564.43646	2.0
609.45026	48.3
627.45575	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	628.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01869	2.8
55.05521	7.2
57.03426	2.6
57.07077	31.3
67.05514	13.4
68.05846	1.4
69.07075	10.3
69.59753	8.2
70.47220	1.1
71.08635	29.9
73.06573	7.3
74.74217	1.1
79.05502	10.3
80.05810	1.5
81.07064	12.5
82.07375	1.5
83.08631	6.4
85.09721	1.3
85.10188	14.9
85.40449	1.2
87.04472	8.3
89.06036	100.0
91.05483	8.2
91.07564	1.2
92.05817	1.4
93.07041	10.1
95.04944	2.0
95.08600	9.0
97.06509	3.5
97.10182	8.0
98.21465	2.2
99.11714	2.4
105.07021	7.8
106.07350	1.5
107.04943	2.1
107.07053	2.4
107.08611	6.5
108.08910	1.6
109.10148	5.1
110.10451	1.4
111.11707	3.4
113.13313	1.7
117.07009	2.3
117.09160	5.9
119.08562	4.9
121.10115	3.5
123.11689	1.8
125.13187	1.4
127.14803	1.5
129.06975	2.0
130.08662	2.0
131.07065	2.2
131.08536	3.8
132.08891	1.3
133.08607	54.0
133.10158	4.4
134.10472	1.3
135.10188	1.7
135.11656	2.6
136.12073	1.3
137.98801	1.2
143.08612	1.6
145.10112	3.5
146.10440	1.4
147.11765	2.8
148.11937	1.5
149.09636	2.0
149.13287	1.4
157.10095	2.7
159.11667	2.9
161.11850	1.9
161.13202	2.0
163.11195	1.4
173.13197	1.2
175.09619	1.3
177.11252	22.6
177.71393	1.2
183.11699	1.5
197.22647	1.4
200.84488	1.1
218.40465	1.1
221.13823	3.5
226.52715	1.3
241.25378	2.3
275.20013	4.0
276.20468	2.5
277.21823	1.5
285.27911	6.0
309.67950	1.2
329.30487	3.1
335.25449	2.6
336.26181	2.5
350.23856	2.0
415.25269	4.5
530.39038	2.7
536.42139	1.9
610.45123	5.0
611.46960	4.1
628.47021	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01873	13.7
55.05515	41.1
57.03435	12.8
57.07063	4.5
59.04985	3.0
65.03929	5.6
67.05508	89.5
68.71589	2.5
69.03421	3.3
69.07070	34.8
69.41508	5.1
69.41907	17.4
71.04984	6.0
71.08632	2.9
79.05492	74.3
81.03418	13.1
81.07058	100.0
83.04978	8.1
83.08642	18.1
85.06527	7.4
89.06004	2.8
91.05480	69.7
93.07043	75.2
95.04953	16.3
95.08606	61.2
95.61259	2.1
96.93360	2.2
97.06548	15.5
97.10166	13.7
98.27786	2.4
99.08078	5.6
105.05247	2.0
105.07033	66.5
107.04954	13.0
107.08591	49.6
109.06496	12.0
109.10151	35.9
111.08067	7.4
113.09666	3.2
115.05430	4.2
117.07027	22.7
119.07773	3.7
119.08589	50.9
121.06516	5.2
121.10156	33.3
123.08040	5.4
123.11720	12.0
125.09602	10.4
128.06216	3.7
129.06989	11.4
130.07794	2.7
131.08578	38.6
133.08627	2.6
133.10127	42.3
134.06264	2.3
135.08084	7.4
135.11697	22.3
136.36441	2.3
137.09575	3.6
137.13254	3.2
143.08546	11.7
145.10124	39.7
147.11693	26.1
149.09608	18.0
149.13252	10.7
151.11177	4.3
155.01060	2.9
155.08522	5.3
157.10156	18.8
159.11699	26.3
161.09619	3.7
161.13277	12.6
163.11153	8.5
163.14832	4.2
165.12694	2.8
167.08453	2.3
169.10138	10.1
171.11601	12.3
173.13264	12.0
175.11208	2.4
175.14790	7.2
177.12726	4.3
179.14319	3.0
181.10143	3.8
183.11676	10.3
185.13272	11.9
187.13382	3.0
187.14857	7.9
189.11180	5.1
189.16367	3.3
193.12206	4.8
195.11690	6.3
196.12485	2.5
197.13293	6.2
199.14803	7.3
200.06738	2.2
201.16357	5.0
203.14294	4.5
209.13214	3.5
211.14867	5.1
213.16331	4.6
219.17456	8.6
223.96486	2.9
225.16444	3.0
227.12769	6.2
229.19446	4.5
237.03333	2.6
239.17995	4.6
243.21078	5.9
247.20532	4.3
249.05171	2.6
257.19058	11.2
259.20639	5.6
261.22089	7.1
267.15799	4.7
275.20065	61.2
277.21674	6.7
293.21149	8.2
317.24835	3.2
333.23914	3.5
335.25812	39.5
349.23795	24.9
351.25522	3.0
365.28256	3.7
367.30115	3.2
455.35004	3.3
515.37207	4.0
517.40338	3.1
529.38861	40.2
535.41254	8.4
553.42505	4.6
555.40265	11.1
591.43488	2.8
609.36194	3.8
609.45203	54.0
627.46313	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.3
53.27792	3.5
55.01873	7.8
55.05511	28.8
57.03431	8.8
57.07065	10.8
65.03954	4.6
67.05505	70.3
69.07076	27.7
71.04993	5.9
71.08638	55.9
79.05495	63.2
79.88184	3.9
81.03429	4.1
81.07060	68.8
83.04971	10.5
83.08636	19.8
85.06568	3.5
88.63116	3.6
91.05482	65.4
91.06008	6.2
93.07045	60.4
95.04946	9.4
95.08606	53.7
96.30530	3.9
97.06538	12.9
97.10184	8.0
98.20696	7.6
99.08117	39.5
100.40817	3.3
105.07035	62.1
107.04967	6.7
107.08610	36.6
108.51688	4.1
109.06528	6.0
109.10165	22.7
113.43082	4.2
116.76448	3.2
117.07037	18.0
119.08588	43.0
121.10175	28.9
123.08113	5.6
123.11731	6.4
125.09673	4.9
128.06253	5.1
129.07002	18.7
131.08589	31.9
133.10136	29.9
135.11723	21.0
137.48717	3.9
142.07793	5.8
143.08591	20.3
145.10138	37.5
147.11725	24.7
149.09636	4.6
149.13303	13.7
151.11197	10.0
155.08577	14.4
157.10100	19.4
159.09427	4.3
159.11726	28.9
161.09563	5.1
161.13326	21.2
163.11221	7.8
169.10158	11.1
171.11682	25.2
173.11876	5.5
173.13252	18.3
175.14902	9.8
177.12662	4.0
179.14348	27.4
183.11763	10.8
185.13297	16.1
187.14891	6.0
191.14207	4.9
195.11681	6.3
197.13234	9.3
199.14877	5.5
209.13397	7.0
211.14862	7.9
213.16388	7.2
214.54405	4.4
215.17912	4.2
223.14905	4.5
241.19562	26.9
259.20615	26.4
275.20056	14.5
277.21695	28.9
293.21188	5.2
313.21738	4.8
315.23178	5.1
333.24301	24.5
335.25903	7.5
349.23730	10.4
351.25287	30.6
419.33057	5.2
435.32751	4.6
437.34042	28.1
475.35556	4.5
511.37683	14.3
513.36066	6.3
517.40442	8.7
529.38593	13.6
535.41559	7.1
538.66327	4.1
553.42383	6.7
609.45160	67.2
610.45959	4.8
627.46295	100.0
627.65979	4.9
633.20874	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01900	2.5
53.03930	6.6
55.01877	12.3
55.05298	2.9
55.05516	31.1
57.03427	9.5
57.07074	5.0
59.04983	2.1
65.03941	3.5
66.89342	2.1
67.05509	78.5
69.03422	4.6
69.07072	30.6
71.04999	4.8
71.62334	2.4
79.05050	4.2
79.05495	65.8
81.03412	6.8
81.07059	100.0
83.04967	7.3
83.08629	16.4
85.06527	3.8
89.06007	2.4
91.05484	58.8
93.07054	68.0
95.04969	12.9
95.08607	58.3
95.11276	2.0
97.06541	14.6
97.10182	8.3
98.98442	3.2
102.97932	2.1
103.05453	2.5
105.06366	3.7
105.07035	50.9
107.04974	11.2
107.08599	44.8
109.06479	7.9
109.10151	28.3
111.08109	5.5
117.07018	20.3
119.08585	43.0
121.06532	3.6
121.10149	33.3
123.08047	7.1
123.11730	13.2
125.09630	5.2
129.07004	6.7
131.08582	26.9
133.06564	2.6
133.10153	28.6
135.08034	5.9
135.11687	16.0
137.09592	5.9
139.11241	3.1
141.06984	4.0
143.08540	8.9
145.10130	21.3
147.07996	2.4
147.11700	21.0
149.09627	10.7
149.13275	6.1
155.01132	2.3
155.08484	4.9
157.10100	10.1
159.11694	20.1
161.13255	10.6
162.74272	2.4
163.11166	9.5
163.14798	3.6
165.12706	4.5
167.08519	2.5
169.10162	6.2
171.11674	8.7
173.13261	11.0
175.11093	4.2
175.14848	5.7
177.12741	3.9
181.10170	2.9
183.11668	5.9
185.13205	4.3
187.14812	6.4
189.11227	3.0
193.12274	4.6
197.13335	3.5
198.20145	2.3
199.14906	4.0
201.16394	4.2
202.56181	2.3
209.13362	2.2
224.60339	2.4
227.12830	3.8
229.19527	2.8
239.17920	6.0
247.20531	3.1
250.15567	2.1
257.18985	5.8
259.20764	4.8
261.22153	8.5
266.82681	2.2
267.16064	2.1
273.18271	2.1
275.17227	3.3
275.20090	44.1
277.21619	5.7
293.21069	7.8
333.24167	5.2
335.25833	26.7
338.50156	2.8
349.23752	18.7
351.25473	2.9
398.21481	3.5
455.35580	2.7
515.37396	2.8
517.40564	3.7
529.32404	2.2
529.38959	21.5
535.41254	4.2
553.42651	6.0
555.40289	3.5
609.45178	34.6
627.46527	47.9
650.19775	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	627.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96086	1.7
53.03930	2.4
55.05499	7.6
57.03431	2.7
57.07058	3.2
62.64491	1.7
65.38901	1.7
67.05517	12.5
69.03413	3.2
69.07070	11.7
69.73219	2.0
71.01334	6.6
73.02926	9.2
79.05505	11.6
81.07051	22.4
83.08602	6.6
85.02911	20.0
91.05466	16.3
93.07051	24.3
95.01318	3.2
95.04939	2.2
95.08607	27.8
97.10116	2.1
105.06483	2.1
105.07043	26.7
107.08598	36.6
109.10150	21.8
113.02364	9.6
117.06988	3.5
119.08578	45.9
121.10146	28.6
123.11703	5.5
128.06238	4.5
129.06995	3.2
131.03357	3.0
131.08572	18.9
133.10126	22.0
135.11702	22.8
137.13264	5.5
140.71619	2.1
141.01758	5.7
143.08543	18.6
144.09277	3.3
145.09023	3.3
145.10117	33.4
147.11711	19.1
149.13235	8.6
155.08513	8.0
156.09322	6.7
157.10120	22.3
158.11006	2.1
159.11691	26.5
161.13278	17.3
163.07573	5.9
163.14828	9.2
167.07117	2.2
167.08501	3.6
168.09352	5.1
169.10132	16.6
170.10965	3.8
171.11641	17.4
173.13312	17.5
175.07539	2.6
175.14853	16.3
177.16354	14.5
179.08513	2.0
181.10109	5.8
182.10893	6.1
183.11679	20.1
184.12425	3.4
185.13286	17.9
187.14867	14.1
189.16376	21.2
193.10164	2.9
195.11685	7.3
196.12430	3.3
197.13289	16.1
199.14830	21.8
201.16463	9.8
203.18001	4.8
207.11665	5.0
209.13307	9.9
211.14789	12.3
213.16379	13.0
215.17955	5.2
221.13219	3.4
222.13922	2.2
223.14662	9.2
225.16367	7.8
227.17952	6.1
229.12357	4.9
229.15807	3.1
229.19513	2.5
231.13736	3.8
235.14822	2.7
237.16330	4.8
239.17879	5.3
241.19476	3.2
243.13817	7.6
245.15413	6.7
250.17493	2.2
251.17827	13.1
253.19537	11.1
255.21083	2.9
257.15390	15.1
263.17905	3.3
265.19543	6.6
265.50455	2.7
267.21271	2.6
271.16937	2.5
277.19479	3.1
283.16928	3.6
283.24142	2.7
285.18356	4.1
297.18527	11.1
299.20047	8.4
311.19940	6.4
331.24515	2.5
345.25674	2.0
351.23090	3.0
363.22949	2.8
387.30637	11.2
389.31952	8.9
405.31494	8.2
433.31042	100.0
451.32068	25.8
504.63266	2.1
564.49811	2.1
570.44354	2.3
627.26227	2.6
627.35352	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	626.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31276	0.6
53.03953	5.2
55.01878	3.5
57.03424	2.6
61.02911	2.0
65.03943	0.7
68.38340	0.7
68.99782	1.9
69.03429	10.7
71.04990	2.4
71.61929	0.7
73.02908	2.8
79.05480	2.4
81.03423	15.6
81.07063	0.7
83.74883	0.7
85.02910	27.7
85.03423	1.6
87.00837	13.4
91.05489	2.7
93.07054	0.9
97.02901	12.7
99.04461	4.9
103.05489	1.4
105.01867	9.0
105.07036	10.6
107.04948	2.6
107.08562	0.7
108.04472	3.7
109.02882	14.6
109.10165	0.8
111.04453	0.8
115.03895	0.8
115.05458	4.7
117.01855	1.2
117.06992	1.1
119.08559	1.4
121.06516	2.3
123.04391	1.7
124.05199	0.8
125.06027	0.8
126.05500	1.6
127.03922	18.0
129.01849	1.6
131.04898	1.4
133.06491	11.1
134.03635	0.6
136.05238	1.2
137.05946	2.6
138.06821	0.9
138.99902	0.6
143.04953	1.2
145.04962	6.9
145.06450	1.1
146.23561	0.7
147.08034	3.2
149.06012	1.4
151.07553	5.3
153.05476	1.8
159.02905	4.3
160.05223	0.8
160.08835	0.7
161.05974	12.3
163.03906	5.4
163.07501	1.7
164.08372	1.4
165.09074	1.6
166.06244	2.2
167.07037	18.6
175.07513	3.6
176.08330	11.7
177.05453	5.5
178.06241	12.9
179.07080	1.1
179.10698	2.2
180.07750	0.7
181.04988	1.1
181.08601	11.8
181.10191	1.1
189.09099	0.7
191.07074	1.3
192.07806	14.1
193.08601	12.7
195.08252	0.8
195.10147	1.6
207.10182	16.2
211.07446	0.7
213.04002	0.9
219.10168	0.7
226.09869	0.9
230.06586	1.7
231.05061	3.3
231.10220	2.3
235.09572	1.2
248.07582	2.2
249.11099	0.8
255.10052	0.9
269.11823	0.9
283.09595	1.3
287.12729	0.8
298.11890	1.5
299.09131	2.4
301.10681	0.8
314.11649	1.4
325.10785	1.0
329.13855	1.1
330.14471	1.3
331.11731	1.7
336.10452	0.6
346.14105	1.6
347.14825	2.0
359.14957	0.6
361.16455	100.0
362.16748	1.1
371.14911	2.5
373.16479	1.2
385.16638	1.3
451.17554	2.1
479.54080	0.7
599.57721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01874	44.3
55.05511	41.3
57.03446	14.8
57.07071	7.9
65.03941	6.7
67.05504	87.9
69.03430	4.9
69.07069	99.5
69.25906	17.4
69.26324	7.0
71.04997	3.2
71.08631	3.0
79.05492	69.1
79.82164	2.3
81.03426	12.1
81.07057	98.9
83.04964	14.1
83.08614	22.9
85.06560	5.8
90.63963	2.1
90.86641	2.5
91.05476	82.0
93.07050	71.4
95.01347	5.8
95.04980	18.2
95.08606	65.0
97.06539	54.8
97.10185	10.9
98.98469	2.4
99.08130	6.4
103.05475	3.9
105.04533	3.0
105.07029	93.5
107.04971	18.6
107.08591	42.1
109.06493	11.6
109.10171	24.6
111.08096	7.7
113.09673	3.2
115.05481	4.0
117.07022	29.7
119.08578	74.5
121.06519	7.7
121.10134	27.9
123.08069	8.1
123.11730	8.7
125.09647	9.1
128.06236	7.0
129.07005	24.2
130.07851	3.8
131.08566	56.5
131.09486	3.4
133.06531	3.4
133.10132	54.8
133.11064	4.2
135.08083	7.8
135.11687	18.5
136.57161	2.2
137.09634	3.9
141.07022	9.6
142.07794	4.7
143.08559	38.5
145.06490	4.0
145.10124	51.1
147.08032	6.3
147.11693	34.0
149.09596	13.6
149.13287	10.9
151.11214	3.2
155.08548	18.3
156.09413	3.3
157.10124	32.7
159.08078	4.2
159.11693	40.1
161.09666	6.6
161.13245	25.4
163.11214	9.7
163.14851	3.7
165.07086	2.8
167.08611	10.8
169.10139	26.6
171.08040	3.8
171.10280	4.0
171.11668	30.2
173.09612	2.7
173.13239	22.3
175.11255	4.9
175.14842	12.2
177.12761	7.7
179.08513	2.6
179.14319	7.4
181.10178	10.0
183.11691	21.3
185.13254	25.5
187.11217	5.5
187.14743	16.1
189.12776	4.2
189.16455	3.0
193.10162	3.0
193.12256	6.0
195.11752	10.3
197.13226	15.6
199.14806	13.4
201.16435	5.8
207.11775	5.7
209.13338	10.2
211.14879	9.9
213.16426	7.7
215.18036	4.9
217.15912	3.3
221.13246	5.7
223.14931	6.9
225.16403	4.9
226.59163	2.4
229.19574	4.4
231.17488	2.7
231.21146	3.5
235.14975	5.8
237.16396	6.5
239.17935	6.7
241.19504	23.1
247.20558	3.1
251.17906	2.8
255.17459	5.2
257.19031	9.7
259.20554	27.0
261.22040	3.6
265.19592	3.3
273.18640	9.0
275.20081	55.5
277.21906	5.0
291.19678	4.3
293.21228	5.1
297.22223	2.5
301.25476	2.8
315.23294	5.4
323.23779	5.5
333.24225	27.4
341.24515	3.4
347.22278	2.9
349.23764	29.1
353.24692	3.5
375.26721	3.6
419.33426	6.4
435.32739	11.4
437.34143	23.0
453.33517	3.1
455.35150	3.3
476.87360	2.5
493.36725	3.6
509.36301	7.1
511.37872	11.3
513.35944	9.4
515.38818	8.9
527.23779	2.4
527.37451	33.7
529.39081	8.4
533.39801	15.8
551.41132	9.9
556.38043	5.0
597.45166	4.1
607.43524	67.7
625.44635	100.0
626.44556	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27837	1.8
53.03945	7.0
54.33670	1.7
55.01872	26.1
55.05514	28.2
57.03435	8.3
57.07085	3.2
58.82197	1.6
65.03938	5.2
67.05506	66.4
69.03423	3.0
69.07070	54.6
70.63747	3.6
70.64100	1.7
71.05002	5.4
71.08636	2.4
72.94502	1.5
79.05495	54.2
81.03429	5.1
81.07059	67.4
83.04985	7.0
83.08614	12.8
85.06548	5.3
91.05485	61.3
91.06060	2.0
93.07048	52.0
93.07612	3.4
94.30895	1.7
95.01318	1.9
95.04961	8.4
95.08607	50.3
97.06536	32.4
97.10167	4.8
99.08112	3.3
103.05482	2.7
105.07034	63.0
107.04943	10.4
107.08596	31.8
109.06524	6.2
109.10158	17.8
111.08087	4.1
115.05492	4.6
116.06213	2.3
117.07021	22.7
119.08585	48.4
119.09441	2.3
121.06519	3.9
121.10141	23.4
121.10911	2.3
123.08072	3.4
123.11714	4.8
125.09603	5.4
128.06215	4.2
129.07011	18.4
131.08560	42.5
131.09494	2.7
133.06522	3.2
133.10138	31.7
135.08090	5.1
135.11693	14.3
137.09627	2.1
139.11160	1.8
141.06967	8.6
142.07870	2.4
143.08559	28.7
145.06586	2.6
145.10117	36.7
147.08072	2.2
147.11696	24.0
149.09633	8.2
149.13284	6.5
151.11220	3.5
155.08557	12.8
156.09358	2.4
157.10136	25.6
159.08084	3.9
159.11678	21.1
161.09668	3.8
161.13258	14.9
163.11195	8.1
163.14774	2.8
167.08521	3.7
168.09399	1.9
169.10138	15.8
171.08078	2.8
171.11674	22.7
173.09686	2.5
173.11896	2.9
173.13255	18.2
175.11258	2.6
175.14873	6.7
177.12830	3.2
179.08578	2.2
179.14375	4.8
181.10069	8.7
183.11703	13.2
185.09616	1.9
185.13254	17.8
187.14880	8.7
189.11308	2.5
189.12863	2.1
189.16454	1.7
191.14322	2.8
193.10205	3.8
195.11707	10.5
197.13278	14.6
199.11261	1.8
199.14853	9.2
201.16467	2.0
207.11780	3.7
207.13588	2.3
209.13339	6.0
211.14879	5.3
213.12831	2.4
213.16495	6.5
217.15904	2.1
221.13318	4.6
223.14926	7.7
225.16455	4.8
227.18092	2.2
229.19505	2.8
235.14819	4.0
237.16380	3.8
239.18024	5.1
241.19540	12.8
243.17677	2.0
245.19220	2.0
249.16614	2.8
251.18100	2.5
255.17577	2.2
257.19159	7.1
259.17706	2.6
259.20581	16.1
261.22134	1.9
265.19641	1.8
273.18497	11.9
275.20065	26.8
277.21729	2.5
279.16016	2.5
285.21991	2.1
291.19589	4.6
293.21204	3.4
297.22174	1.9
299.23727	2.2
311.20032	2.0
313.21805	2.3
315.23291	5.4
323.23965	2.9
325.25558	2.6
333.24289	13.3
339.22943	2.0
339.26907	2.7
347.22345	2.0
349.23672	17.1
359.25595	2.1
367.26398	2.3
391.29898	1.9
417.31500	1.9
419.33209	4.1
435.32639	7.6
437.33997	12.1
455.35101	2.3
463.32172	2.0
501.35568	2.4
509.36475	3.5
511.37988	9.8
513.35968	10.2
515.39020	6.2
527.37823	11.4
529.39026	4.1
533.39740	13.2
551.40698	8.6
556.37970	2.3
575.02155	1.8
589.42255	2.4
597.44397	3.2
607.34064	3.3
607.43640	54.7
625.44659	100.0
626.44891	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
54.10917	2.0
55.01868	10.1
55.05511	33.4
57.03432	9.0
57.07058	4.7
63.91314	2.0
67.05503	61.4
69.03415	3.4
69.07072	24.8
69.62942	1.7
71.04990	4.3
71.31707	4.3
79.05492	46.8
81.03413	3.7
81.07057	55.9
81.95114	1.9
83.04981	6.1
83.08614	15.8
85.06551	4.7
91.05476	45.6
91.79137	1.8
93.07041	43.1
95.04989	8.0
95.08604	40.7
97.06524	11.6
97.10168	10.1
99.08099	2.8
105.07034	39.6
107.04961	4.4
107.08583	24.3
109.06547	5.3
109.10165	25.2
111.08079	5.4
113.09642	2.7
115.05482	2.0
117.07033	20.0
119.08581	33.9
121.06520	2.7
121.10123	15.1
123.08112	4.7
123.11720	7.4
125.09657	6.7
128.06242	5.6
129.06998	22.3
131.08551	30.1
133.06541	4.1
133.10139	24.2
135.08083	3.2
135.11688	13.3
137.09650	2.4
139.11137	2.1
141.07016	8.6
142.07771	3.3
143.08575	24.2
145.06508	3.2
145.10124	28.3
147.08087	5.4
147.11691	15.4
149.09662	5.0
149.13252	3.9
151.11169	2.7
154.07819	3.2
155.08540	15.1
156.09369	3.2
157.10138	20.1
159.11696	21.3
161.13280	5.4
163.11212	4.4
167.08600	6.7
169.10107	16.8
171.11714	19.5
173.09544	3.3
173.13248	12.1
175.11241	3.6
175.14836	3.9
177.12851	2.7
179.08670	2.6
179.14398	3.6
181.10188	8.3
183.11703	12.7
183.13187	2.0
185.09601	3.6
185.13249	12.6
187.11119	2.2
187.14851	6.1
189.11214	4.8
189.16383	2.1
190.25345	2.3
193.10159	4.4
195.11714	11.7
197.13258	11.7
199.14758	10.9
201.12761	2.2
201.16408	3.4
207.11736	2.7
209.13304	7.4
211.14867	8.2
213.12796	3.0
213.16483	4.5
217.16190	2.3
219.11748	4.0
219.17462	3.0
221.13257	3.0
223.14868	6.5
225.16464	5.3
227.12720	3.3
227.17975	3.4
233.13283	2.8
235.14821	3.5
237.16457	2.8
239.17931	4.4
241.19524	3.8
243.15785	2.2
251.14810	2.2
253.19566	3.1
255.21228	2.2
257.19006	3.7
259.20630	5.8
273.18564	2.7
275.20093	9.4
279.21286	2.5
290.40756	2.3
291.19775	5.0
297.22147	2.9
309.22214	3.4
315.23245	2.4
333.24420	5.4
340.12045	2.1
349.23953	5.2
363.26849	3.5
365.28433	4.0
379.30090	3.2
381.31699	2.5
421.31046	5.7
435.32056	2.9
435.42764	2.1
453.34116	2.9
513.35919	13.9
515.39160	5.8
527.37170	10.4
533.39740	9.8
551.41394	4.9
607.43561	43.8
625.44653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
54.30293	2.0
55.01875	11.2
55.05512	32.1
55.29729	1.6
57.03430	6.7
57.07070	4.2
59.05002	2.4
59.85930	1.6
61.82367	1.7
65.03942	5.0
65.14642	1.6
67.05504	62.4
69.03413	2.0
69.07064	28.6
69.47548	3.7
69.47963	10.6
71.04996	4.0
71.08625	2.3
74.86655	1.5
79.05492	43.7
81.03418	5.5
81.07055	58.0
83.04976	6.3
83.08619	15.1
85.06544	3.5
91.05474	42.5
93.07048	46.7
95.04941	10.5
95.08604	42.4
97.06554	12.1
97.10177	9.8
98.20695	3.2
99.08101	4.0
103.05460	2.1
105.07032	47.2
107.04966	5.1
107.08598	23.8
109.06530	6.9
109.10155	23.1
111.08078	4.6
115.05479	4.2
117.07011	21.4
119.08581	31.7
121.06466	2.7
121.10145	18.3
123.08112	2.9
123.11711	7.2
125.09643	7.7
128.06239	6.8
129.07013	16.3
131.08566	30.7
133.06438	2.5
133.10133	26.4
135.08078	6.1
135.11676	12.8
137.09590	2.3
137.13374	2.3
139.11176	3.1
141.07014	6.0
142.07826	3.3
143.08568	22.4
144.09351	1.9
145.06473	2.7
145.10121	25.4
147.11685	16.9
149.09653	5.6
149.13307	4.8
155.08528	14.2
156.09348	3.7
157.10132	25.1
159.08133	2.3
159.11702	20.6
161.09622	2.5
161.13277	8.8
163.11226	4.4
163.14856	3.3
165.06981	1.9
165.12816	1.9
167.08583	5.5
169.10139	21.5
171.11699	15.7
173.09723	4.3
173.13245	13.0
175.11172	1.8
175.14862	4.4
177.16321	2.5
179.08670	2.2
181.10075	10.4
182.10828	2.0
183.11681	15.1
185.11890	2.8
185.13240	13.1
187.11214	2.5
187.13333	2.0
187.14862	5.5
191.14439	2.0
193.10136	3.2
195.11690	8.1
197.09726	2.0
197.13272	13.1
199.14844	9.7
201.12791	2.8
201.16429	4.2
203.14383	3.5
207.11655	2.5
209.13318	8.2
211.14838	9.9
213.12971	2.0
213.16498	3.9
215.18050	3.1
217.15895	2.0
219.11856	2.3
221.13252	4.1
223.14902	5.8
225.16518	5.0
227.12833	5.2
227.18015	3.5
235.14806	4.3
237.16528	3.8
239.18004	4.7
241.15776	2.0
241.19601	5.7
249.16518	2.7
255.17656	2.9
257.19009	4.3
259.20615	7.9
263.20084	2.3
271.20633	2.3
273.18600	6.3
275.20187	10.1
275.22766	1.8
277.21887	2.4
285.22192	2.1
295.20609	2.2
297.22610	1.9
309.21945	2.5
313.21622	2.2
323.23486	2.1
333.24310	4.7
341.24829	2.3
349.23984	4.9
355.26334	2.3
357.27969	1.8
365.28522	3.7
381.31824	2.8
395.29651	2.5
407.29276	2.2
423.32584	2.5
445.31219	1.9
459.31442	2.2
497.37195	2.5
513.35699	16.2
515.38751	6.5
527.37506	7.4
527.82849	2.3
533.40216	8.5
551.41064	6.9
589.42316	4.2
597.44867	2.3
607.43555	44.6
610.66888	1.8
625.44635	100.0
626.44971	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	625.1758
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.01880	0.5
57.03435	2.2
61.02916	0.7
69.03418	1.2
70.74023	1.0
71.04640	0.8
71.04996	11.3
74.60999	0.4
76.37756	0.4
81.03399	0.9
83.05001	0.5
85.02419	0.8
85.02906	14.5
93.03368	0.6
97.02907	1.1
110.90018	0.5
121.02860	0.8
127.03851	0.6
129.05484	4.3
139.03932	0.7
145.04947	1.1
147.06552	0.7
151.03870	0.5
153.01813	4.6
165.01787	0.5
217.05103	0.6
228.04132	0.8
229.04938	2.2
244.41103	0.6
245.04405	0.5
246.05212	1.5
247.95221	0.4
257.04434	1.5
273.03937	1.4
274.04788	3.6
285.03964	3.0
302.04227	8.9
317.06564	100.0
318.06830	1.8
636.35248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
67.02445	0.4
70.42237	0.8
70.42594	0.8
83.01070	0.9
83.65237	0.4
85.02927	0.6
95.01072	1.1
95.04969	1.8
96.01867	0.7
109.96578	0.4
112.01334	0.5
113.02122	1.2
123.04433	2.6
137.06020	1.2
140.04765	0.7
143.48434	0.4
147.04359	1.0
155.06987	1.0
163.03978	0.8
171.10843	0.4
183.06548	1.2
185.04234	2.6
201.03757	0.4
202.06044	1.1
203.05289	6.9
203.07068	0.7
205.04723	24.6
219.01675	0.6
224.98582	0.4
245.04382	0.6
249.07523	0.5
266.07590	2.4
267.08533	1.1
349.07193	0.7
415.13727	5.3
444.16428	0.4
445.14868	1.5
457.37857	0.5
610.75446	0.5
625.21039	100.0
626.21478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.9
55.01858	4.2
55.05293	2.0
55.05510	20.6
57.03436	5.4
57.07071	12.5
61.02919	3.9
61.09587	2.0
65.17592	2.0
67.05221	2.7
67.05503	30.7
69.03429	13.0
69.06726	2.5
69.07068	48.4
71.04977	3.3
71.08621	6.2
71.61166	3.1
73.02917	14.7
79.05510	10.3
81.03404	4.0
81.07056	89.7
83.04979	2.3
83.08193	3.7
83.08622	32.7
84.03000	2.1
84.08134	2.7
85.02900	27.4
85.06535	11.8
85.10145	2.6
87.04420	2.5
91.05479	5.3
93.07053	20.9
95.08606	100.0
97.02873	15.4
97.10172	21.7
99.04451	2.4
99.08105	5.3
105.07000	7.2
107.08588	20.4
109.02904	3.0
109.09441	4.2
109.10155	60.6
111.08083	3.2
111.11707	20.3
115.03903	6.9
119.08553	5.1
121.10128	12.8
123.11710	37.5
125.13290	11.3
127.03896	4.2
127.11212	3.7
133.04979	6.0
133.10197	5.1
135.08028	3.9
135.11696	9.6
137.05952	3.3
137.13232	16.3
139.14767	3.2
143.08540	2.4
143.14313	5.4
145.04929	6.0
145.10104	3.6
147.08037	2.9
149.13226	16.5
149.95668	2.5
151.14822	23.0
153.12691	2.4
157.10219	2.3
157.15776	3.0
159.11601	2.2
161.05946	2.7
161.09648	2.6
161.81331	2.3
163.14853	11.6
165.16365	11.7
167.07028	4.0
169.15802	2.5
173.13229	2.6
177.16397	4.9
179.17932	7.0
181.68082	2.3
191.10486	3.0
191.18021	4.1
197.19009	3.4
219.21127	4.1
249.25706	2.2
275.27295	12.0
281.28333	6.0
293.28354	34.7
311.29453	16.2
329.30569	4.1
389.30658	3.3
428.75842	2.6
443.27374	3.1
532.60730	2.7
623.30542	3.1
638.78015	2.2
651.20825	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83086	0.6
57.03414	0.6
66.43521	0.5
67.05502	2.0
70.78786	1.2
70.79166	1.3
79.05492	1.7
81.07059	1.2
83.04951	0.7
83.36411	0.6
91.05478	1.0
93.07031	1.4
95.08604	1.5
105.07025	1.0
107.04970	0.9
107.08568	1.0
109.06500	0.6
119.08620	0.8
122.53533	0.7
131.08566	0.8
145.10081	0.8
147.16278	0.7
164.23331	0.6
201.15347	0.6
209.10742	0.7
264.48001	0.7
275.78046	0.8
289.17947	1.2
389.18448	1.2
390.18408	0.9
391.19193	1.3
400.16702	0.8
401.17395	1.4
403.19397	1.0
404.20718	1.2
405.20700	4.7
406.21518	1.1
413.18063	0.7
414.18802	0.8
415.19287	2.9
416.20108	0.7
417.21005	1.0
418.21759	1.1
419.22803	0.9
420.23300	1.5
421.23935	3.0
427.19455	1.9
429.20764	5.1
430.21976	2.3
433.20291	3.0
433.24890	1.2
441.21234	1.2
442.21976	1.2
443.22412	1.9
444.23523	3.2
445.20337	2.4
447.17303	4.2
448.22580	1.1
452.22354	0.9
456.19397	1.1
457.24332	3.6
458.25006	0.9
459.21878	3.8
460.22897	3.9
461.19449	13.8
462.20187	0.8
470.21524	1.1
472.22485	2.1
473.19568	1.2
475.21451	2.4
476.22067	14.4
477.26563	1.8
485.23535	12.3
486.19836	3.3
487.21228	1.2
487.24603	0.8
488.22104	1.9
489.22815	2.5
497.24051	1.3
499.21307	1.1
500.22165	2.0
503.24493	12.8
513.22675	2.0
515.24451	12.0
519.24017	1.2
521.25537	12.7
531.23956	24.4
535.23145	1.1
541.22137	1.2
545.26007	1.5
549.25000	17.7
559.23346	9.0
563.27081	1.1
564.27930	1.6
591.26044	53.3
592.26978	0.8
623.28656	100.0
624.29065	2.5
654.41571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
66.05980	0.8
67.05509	1.4
71.61674	1.0
79.05455	0.7
81.07068	2.2
83.41093	0.7
87.62271	0.8
91.05494	1.8
93.07031	1.1
95.08608	1.6
107.08582	1.0
109.10147	0.9
119.08591	1.2
121.10181	0.9
133.10133	0.9
145.10165	1.0
171.14197	0.7
211.23448	0.7
228.81511	0.9
324.63376	0.7
350.99042	0.7
355.58728	0.7
391.19293	1.3
401.17841	1.0
403.19559	1.7
405.20972	2.3
415.19550	1.6
416.20572	1.0
417.16531	1.0
417.21176	1.9
418.17700	1.4
419.23001	3.4
420.23074	1.3
430.17786	1.2
431.18030	3.7
432.23923	0.8
433.20267	6.6
443.18552	1.4
444.19629	2.2
445.19705	4.2
446.21152	3.3
447.22198	4.7
448.22595	1.1
449.23410	0.9
457.19955	0.8
458.20993	6.5
459.21869	5.1
460.22778	5.2
463.21536	1.2
471.22443	0.8
477.23126	1.0
518.23224	4.1
521.21912	0.8
527.17291	0.8
533.25647	7.1
533.37292	2.0
535.27081	1.5
545.25427	2.5
546.26550	1.5
563.26556	5.2
605.27582	10.0
623.28705	100.0
624.28772	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
72.44649	1.0
110.48406	1.1
138.11774	1.1
165.30904	1.1
192.08888	1.2
244.39365	1.2
338.36142	1.3
376.16953	1.3
377.18097	1.3
390.18521	1.8
391.19290	3.6
392.19830	4.2
393.20804	2.6
401.17496	1.6
402.17984	1.3
403.19437	1.7
404.20862	1.6
405.20715	4.7
406.21603	4.5
407.22311	10.9
413.17786	3.0
414.18250	2.8
414.37195	1.2
415.19391	6.3
416.20514	1.4
419.22864	1.5
420.23044	1.6
421.23883	12.3
422.24704	2.8
427.19269	2.8
428.20181	3.7
429.20813	12.9
430.21872	3.2
430.66040	1.2
431.18619	1.3
433.24582	2.0
442.21927	3.0
443.22507	8.4
444.23352	5.2
445.20181	2.2
447.17850	1.4
455.18500	1.5
456.19363	1.4
457.24915	5.6
458.25143	7.4
459.21945	7.2
460.22968	1.8
461.19830	4.4
462.20160	1.3
470.20734	1.1
471.22171	2.1
472.22690	7.1
473.19165	1.6
474.20193	1.5
475.21045	7.5
476.21768	5.3
477.22876	2.9
484.19031	1.4
485.23743	13.9
486.20026	2.1
486.24957	1.5
488.22284	1.7
489.23071	3.2
499.21323	4.9
500.21927	1.9
503.24527	7.4
503.30991	1.4
513.23199	5.5
514.23840	1.3
517.26453	8.4
529.26215	2.2
531.23358	1.4
535.26855	4.4
545.25488	90.4
563.26410	1.4
564.26758	2.2
573.24945	22.0
591.25555	2.1
605.27594	100.0
606.28143	2.4
623.28656	98.2
624.29187	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.231
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00816	0.3
70.14948	0.9
70.15347	0.5
71.04986	0.5
75.33212	0.4
83.01095	0.5
85.02914	0.8
88.30020	0.3
90.27984	0.3
91.05519	0.4
91.37880	0.3
94.74535	0.3
95.01063	0.8
97.02849	0.4
98.20757	0.4
98.97626	0.4
103.05473	0.4
105.07032	1.2
106.96819	0.3
107.04944	0.5
112.01353	0.5
112.23640	0.3
113.02122	0.9
121.06522	0.3
133.06474	0.9
136.18822	0.4
137.06026	0.4
150.06773	0.9
165.09155	0.4
167.06993	1.0
185.04225	1.8
189.05275	1.6
193.08603	2.6
201.03755	1.1
203.05286	6.7
203.07054	0.4
205.04813	1.2
211.09641	1.1
218.05453	0.4
219.06259	2.3
221.78325	0.3
232.07057	1.5
233.07866	1.3
234.08618	12.2
235.09383	1.5
249.07501	0.4
250.08038	0.3
256.89963	0.3
263.08905	0.3
290.46176	0.4
292.36398	0.3
303.05029	1.4
313.74185	0.4
377.02386	0.3
379.13623	0.5
381.11624	1.0
395.13098	1.0
411.12650	0.7
413.15674	6.8
443.16891	1.3
461.17929	1.4
583.54510	0.4
616.35840	0.4
623.23108	100.0
624.23468	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	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.8
53.03757	1.0
53.03953	9.0
55.01867	5.2
55.05511	18.7
57.03439	8.4
59.05000	2.3
59.07913	1.0
62.28078	1.2
65.03921	3.2
67.05166	1.8
67.05504	28.5
69.03417	14.6
69.07072	10.0
70.82185	2.7
71.04990	7.4
73.02886	1.1
74.83841	1.1
79.05494	28.3
80.67228	1.5
81.03419	100.0
81.07060	30.9
83.04986	17.2
83.08621	22.7
85.02901	20.5
85.06546	1.9
91.05480	40.9
93.07045	20.3
95.04974	31.2
95.08607	12.6
95.14978	1.1
97.02892	13.2
97.06503	5.8
97.10164	7.5
99.04442	4.1
103.05475	3.1
104.49117	1.1
105.07034	22.8
105.53584	1.1
107.04948	13.3
107.08580	13.3
109.02884	24.0
109.06538	5.6
109.10158	4.8
111.04449	9.0
111.08089	7.6
113.05972	2.4
115.05444	3.1
117.07014	9.0
119.04910	1.8
119.08589	21.5
121.02887	2.4
121.06507	7.2
121.10107	9.6
123.04434	7.2
123.08084	2.2
123.11708	2.0
125.02357	3.8
125.09642	5.5
127.03926	5.3
128.06239	2.4
129.06990	13.9
131.04955	3.1
131.08569	13.8
133.06508	5.3
133.10132	9.4
135.04439	1.3
135.08096	2.9
135.11703	3.5
137.05978	3.6
137.09628	2.3
141.06973	2.5
142.07753	3.4
143.08582	3.9
145.06470	5.3
145.10170	6.6
147.04378	2.0
147.08057	5.3
147.11688	18.2
149.05937	2.6
149.09642	4.2
153.12830	1.4
155.08551	2.6
157.06483	2.8
157.10135	13.6
159.08105	1.5
159.11678	2.1
161.05962	4.2
161.09576	2.0
163.11214	7.3
165.12781	4.6
169.10146	1.9
171.08095	1.8
173.04504	4.6
173.05923	2.5
173.09624	2.7
175.11212	10.3
181.06512	1.2
181.12183	1.8
185.13307	1.5
187.07762	1.4
189.05524	3.2
189.11240	3.1
189.12805	1.5
191.10727	2.2
193.12242	37.3
195.11816	2.0
205.12105	1.3
207.13852	1.5
211.11331	1.7
211.13277	41.0
211.15228	2.0
213.12735	2.4
217.12320	1.4
223.13222	1.3
227.12819	4.9
231.13783	2.6
235.13365	2.3
237.12753	2.3
238.66586	1.3
247.13460	1.9
249.14925	3.6
255.13924	1.6
259.13358	1.5
267.15942	12.3
273.14871	6.8
277.14508	1.7
283.13037	2.0
285.16977	7.0
289.14499	1.3
291.16083	1.6
301.14325	10.5
301.17300	1.7
309.17352	1.2
319.15384	6.3
329.21658	1.3
337.16696	3.7
355.17578	4.0
359.18671	1.5
367.22678	2.3
375.18085	3.4
385.23813	3.4
393.19147	4.7
403.25089	2.3
411.20154	2.6
441.26544	1.6
459.27515	5.2
477.28491	6.0
495.29489	7.7
529.28180	1.6
547.28827	1.4
557.31732	1.3
567.29395	3.5
573.30603	1.8
585.30450	7.0
603.31555	10.8
621.32666	55.5
622.32568	1.6
633.60571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.99280	0.2
69.68164	1.7
73.79574	0.3
75.53337	0.2
86.36340	0.3
89.20769	0.2
92.35432	0.3
98.20752	0.3
130.06674	0.3
183.81389	0.3
207.09244	0.3
209.10722	0.4
221.10864	0.3
296.65234	0.3
361.15115	0.3
374.15091	0.3
375.16241	1.0
376.17630	0.4
387.16266	0.6
388.17050	1.2
389.17560	2.7
390.18536	1.3
391.19229	0.8
397.58682	0.3
400.17654	0.3
401.17767	1.0
402.14035	0.5
402.18857	1.3
403.15570	0.5
403.19482	4.2
404.20154	2.3
405.20746	2.4
415.14865	0.4
415.19778	0.7
416.16019	0.9
416.20099	1.2
417.17123	3.1
417.21140	1.9
418.17764	1.2
418.21890	1.0
419.22406	7.1
420.23138	0.7
427.19742	0.3
429.16760	0.4
430.17862	0.8
430.22574	0.4
431.18030	6.7
431.23584	0.9
432.19077	2.8
433.20187	2.6
443.18631	0.6
445.19971	5.3
446.20914	6.0
447.21832	8.9
448.22641	0.3
458.21149	0.5
459.22742	2.2
460.23383	0.5
461.19843	1.5
473.18985	0.8
473.23767	1.3
474.20419	6.4
475.21368	7.5
477.23303	0.6
486.21286	0.4
487.21426	3.5
488.22137	1.1
490.23633	0.6
491.20071	2.0
501.23080	1.7
503.20828	0.4
505.27151	1.3
506.23346	0.4
518.23267	0.6
519.20294	0.8
529.22369	0.8
533.25562	13.0
561.24982	19.8
562.25482	0.8
589.24597	1.1
593.27570	3.8
621.27075	100.0
622.27423	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12995	0.4
55.05511	2.2
55.22789	0.5
57.03440	0.7
57.07078	1.3
57.84079	0.4
60.19527	0.4
67.05503	5.1
69.07073	2.7
71.62204	0.6
71.62560	0.5
79.05497	2.2
81.07048	4.2
83.08625	1.8
85.06562	0.5
87.04477	3.0
91.05477	1.7
91.67794	0.4
93.07057	1.8
95.05003	0.5
95.08595	4.1
96.20380	0.5
97.06519	0.8
97.10178	0.7
105.07034	0.9
105.39624	0.4
107.08617	1.7
108.63560	0.6
109.06548	0.6
109.10161	1.4
110.62950	0.5
111.04520	0.5
119.08588	1.2
120.72601	0.5
121.10137	0.9
128.00516	0.5
135.11737	0.6
147.11658	0.5
233.11456	0.6
283.15182	15.7
337.27197	1.0
339.17728	3.3
469.45706	0.5
507.75211	0.5
521.38110	1.4
601.44250	0.5
619.41797	100.0
620.41779	2.2
637.01898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05499	4.2
57.03418	3.5
57.07066	1.4
59.04995	0.8
61.02929	5.6
63.20604	0.8
65.03938	1.0
65.17471	0.8
67.05500	4.9
69.03418	4.5
69.07069	7.8
71.01350	1.9
71.04994	1.6
71.17661	1.7
73.02917	41.3
79.05490	6.3
81.03431	0.8
81.07061	12.1
83.08607	3.5
85.02911	5.4
85.06558	1.3
91.05484	10.3
93.07043	12.3
94.00360	0.9
95.04936	1.9
95.08605	21.5
97.02878	3.4
97.06532	2.8
97.10175	1.3
99.08096	8.0
103.05511	1.1
105.07033	29.6
107.04936	1.3
107.08591	17.3
109.02839	0.7
109.06493	1.3
109.10152	11.4
111.08044	1.1
115.03911	4.9
117.06998	4.3
119.08582	39.9
121.06491	0.9
121.10146	16.1
123.08037	2.1
123.11695	2.4
125.05989	3.4
129.06973	1.9
130.07721	0.9
131.04955	6.1
131.08572	12.8
133.06490	1.5
133.10132	20.3
135.08057	1.0
135.11694	19.9
137.09607	1.6
143.08527	3.6
145.06393	0.9
145.10123	7.6
147.08044	6.3
147.11691	16.5
149.05983	19.6
149.09578	1.0
149.13283	5.2
157.10120	3.2
159.07997	1.8
159.11702	5.5
161.09576	2.3
161.13266	3.9
163.14795	2.8
165.09116	4.2
165.12769	1.0
167.07077	0.9
169.10078	1.5
171.11656	3.1
173.13266	14.7
175.11134	2.6
175.14812	4.4
177.09090	0.8
177.12631	1.2
183.11594	2.1
185.13194	1.7
187.14772	6.2
189.16379	100.0
191.17946	57.0
197.13303	1.5
199.14758	1.5
201.12735	5.2
201.16350	1.4
203.14297	3.2
203.17960	1.9
205.05009	1.2
207.17435	28.3
211.14703	1.7
213.16281	1.9
215.14316	1.1
215.17885	1.3
217.15875	2.9
219.13799	27.3
229.15826	1.1
237.14763	2.8
267.17450	1.3
285.22061	0.8
300.96341	0.7
321.20547	3.3
339.21655	26.8
351.18018	2.6
405.31573	5.7
407.33118	1.6
421.33896	1.1
423.32611	29.6
425.34158	1.3
441.27869	1.4
441.33691	23.2
447.46039	0.9
451.32028	1.2
469.33038	1.8
555.36743	2.0
557.38037	3.2
573.37866	39.7
575.39453	2.9
601.37195	1.1
619.38538	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	619.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10025	2.5
53.03930	3.2
55.05515	8.0
57.03431	8.0
57.07066	2.6
58.45892	2.2
61.02913	8.6
67.05502	11.8
69.03422	5.6
69.07066	17.3
70.95139	5.3
70.95505	2.2
71.01314	2.6
71.04967	2.5
73.02915	57.1
79.05503	11.0
81.07047	21.1
83.04971	3.7
83.08626	8.2
85.02904	7.6
85.06497	3.1
85.20564	2.1
89.46062	2.0
91.05484	11.3
93.07039	30.2
95.04974	2.5
95.08611	41.8
97.02892	4.9
97.06525	8.3
99.08082	8.1
103.05495	2.8
104.67677	2.6
105.07024	36.1
107.04980	2.5
107.08597	36.7
109.06513	4.7
109.10159	23.1
111.08099	2.4
115.03929	8.2
116.98597	2.3
117.07020	4.2
119.08581	48.1
119.09422	2.4
121.10136	34.1
123.08041	3.8
123.11709	9.1
125.05951	4.0
127.03873	2.5
131.04955	3.3
131.08580	16.6
133.06453	2.1
133.10133	30.7
135.08069	4.1
135.11703	28.4
137.13283	3.0
142.07770	3.2
143.08565	10.1
145.10135	19.1
147.08102	5.1
147.11664	17.8
149.05952	12.8
149.09680	2.9
149.13231	9.7
151.07576	3.1
153.01816	3.7
157.10146	10.4
159.08025	3.6
159.11690	18.1
161.09593	5.2
161.13225	13.5
163.11163	2.4
163.14793	8.7
165.09116	9.3
167.07062	2.7
171.11697	10.4
173.09505	2.2
173.13252	20.7
175.11235	5.1
175.14836	10.1
177.12708	2.5
177.16458	3.3
179.05066	2.4
183.11703	6.4
185.13274	6.0
187.11273	2.9
187.14853	17.0
188.03503	2.6
189.12746	5.8
189.16373	84.9
191.14310	2.9
191.17947	100.0
197.13283	5.1
199.14836	9.4
201.12794	9.4
201.16336	12.0
203.14221	4.9
203.18016	7.8
207.17422	17.7
211.14803	4.3
212.94205	2.4
213.16489	3.2
215.14323	7.2
215.17818	2.4
217.15923	5.8
217.19450	4.5
219.13788	23.8
225.16429	2.7
227.38438	2.8
233.15408	3.8
235.13177	2.4
243.13849	3.9
245.15549	2.2
253.14288	8.4
257.15353	2.3
260.80981	2.4
261.14807	3.1
265.14282	3.1
279.15863	7.7
339.21774	22.5
405.31342	16.5
407.32980	4.0
423.32547	24.3
441.33890	15.2
451.32098	18.0
469.32956	15.8
487.34277	4.6
504.57443	2.8
573.37842	27.9
619.09979	2.8
619.27679	5.7
619.37994	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	618.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	2.3
65.03936	1.7
69.03430	2.1
69.27465	11.8
69.27882	2.0
75.04472	1.5
79.05497	5.6
85.02903	5.4
91.05482	8.4
93.03407	3.1
93.07035	5.3
97.02882	2.4
97.06551	1.5
98.97585	2.2
103.05477	6.3
105.07040	20.6
106.04194	7.4
107.04993	6.3
109.06504	1.8
117.03403	1.5
118.04129	8.4
119.04966	3.2
120.05727	2.7
121.06518	14.0
122.07287	2.2
123.04395	2.7
123.08064	2.0
124.05229	1.8
125.05993	2.6
133.06493	22.5
134.03598	1.4
135.08041	5.7
137.05983	7.8
148.05179	2.5
149.05991	20.8
149.07094	1.8
150.06741	12.4
151.03960	1.8
151.07544	4.0
153.05551	1.8
153.09093	5.8
161.05960	7.3
163.03922	1.8
163.07570	2.6
165.09109	14.1
167.07042	68.1
171.06577	1.5
177.05476	12.2
178.06047	1.8
179.07024	3.4
180.51933	1.3
181.08621	10.4
191.07042	2.6
193.08615	65.3
195.10138	2.2
209.06548	1.1
209.08087	59.2
211.09657	100.0
296.32977	1.4
303.04938	2.8
333.12097	2.2
338.82086	1.2
403.17059	1.6
437.08951	1.7
618.09271	4.1
629.57458	1.4
629.88678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03423	1.5
67.05492	2.1
69.03409	2.0
69.76125	5.3
69.76537	2.3
71.04977	1.6
79.05486	6.4
85.02888	6.2
86.09670	2.3
87.55952	1.7
91.05478	9.4
93.03396	3.4
93.07052	3.0
95.04945	2.9
97.02856	1.8
98.97536	2.2
103.05455	6.4
105.07035	19.3
105.18098	1.4
106.04194	9.0
107.04935	6.5
108.05713	2.0
109.06527	1.9
118.04166	5.2
119.04955	2.9
121.06515	11.7
123.04448	3.3
123.08073	3.3
123.73676	1.5
124.05135	2.2
125.05988	2.0
133.06485	20.5
134.73465	1.4
135.04407	4.9
135.08049	4.8
137.05968	8.3
139.07561	1.7
146.03577	2.1
147.04451	1.6
148.05162	1.9
149.05978	17.3
150.06740	11.8
151.07538	4.8
153.09073	2.4
161.05977	5.3
163.03940	3.2
163.07581	3.3
165.09106	12.0
166.06271	1.4
166.26399	1.5
167.07039	73.0
177.05508	12.4
178.06265	1.5
179.06953	3.3
181.08577	10.7
191.07027	1.8
193.08606	64.9
209.08093	60.3
211.09656	100.0
275.03406	1.8
285.09897	1.6
303.04843	4.3
333.12027	2.5
389.65314	1.6
391.17566	1.6
548.84277	1.9
618.09271	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	617.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05510	19.2
57.03427	3.8
57.07084	3.4
61.02944	1.6
65.74345	1.6
67.05512	13.1
69.03425	7.0
69.07063	11.1
69.66205	3.7
69.66634	6.6
71.05002	7.3
71.25294	1.3
72.10049	1.6
73.02912	2.8
75.53703	1.6
79.05495	13.6
81.03417	4.3
81.07059	30.1
83.04974	2.3
83.08619	21.7
85.02901	32.0
88.00150	1.5
91.05470	17.1
93.07049	32.8
95.04979	3.5
95.08604	47.5
97.02359	1.5
97.02890	7.9
97.06532	3.5
97.10170	3.8
98.97562	1.8
99.04433	1.9
105.07028	35.2
106.04198	2.0
107.08596	42.7
109.02853	3.4
109.06516	3.0
109.10155	23.2
110.23552	1.6
111.04459	2.1
111.08103	3.6
115.05453	2.5
117.07004	6.4
119.08582	56.3
121.06532	4.1
121.10146	36.4
123.08099	2.4
123.11732	9.4
125.05928	3.8
125.09649	2.1
127.03948	4.4
129.07042	2.7
131.08578	18.3
133.06535	2.5
133.10126	38.0
133.11067	2.8
135.04514	1.7
135.08047	4.1
135.11699	22.7
137.05968	2.6
137.09622	2.4
137.13243	3.7
142.07800	2.1
143.08575	3.7
145.04955	1.8
145.10126	42.1
147.11703	27.8
149.05997	3.4
149.09692	1.8
149.13245	13.0
151.03857	2.3
151.07539	4.8
157.10138	5.5
159.08102	1.7
159.11687	28.4
161.13228	15.2
163.07542	6.7
163.11205	2.6
163.14828	4.9
165.09096	8.2
165.16817	1.6
167.07048	19.4
171.11707	5.3
173.09621	2.3
173.13261	19.3
175.14836	12.2
177.09100	5.1
177.16411	7.2
182.99763	1.6
183.11636	2.1
185.13269	4.9
187.11267	2.2
187.14807	14.8
189.16399	23.4
191.10728	4.1
191.17946	95.6
193.08565	3.5
197.13298	2.1
199.14873	6.4
201.16388	100.0
203.17970	25.8
205.12317	3.3
205.15819	2.9
205.19518	5.9
207.17348	3.0
209.08165	5.9
211.09689	5.9
211.14772	1.9
213.16331	5.5
215.14397	1.9
215.18039	6.0
217.19432	3.0
217.48904	1.4
219.02011	1.7
219.17409	16.7
221.15504	1.6
221.19002	2.5
226.04233	1.5
229.15909	7.7
231.17464	2.2
233.15390	3.5
245.15311	3.3
247.16916	43.9
259.16971	2.6
265.17935	23.0
327.23300	1.7
391.33542	3.2
407.33258	2.6
409.34579	3.6
427.35205	1.8
435.32703	2.8
437.34106	13.0
453.33762	3.7
455.35782	1.9
617.40717	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	617.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05512	15.0
57.03444	2.4
57.07066	3.5
61.02923	2.3
65.03938	3.0
67.05494	11.0
69.03443	8.2
69.07066	12.5
71.04993	3.2
71.08909	1.4
71.61582	1.2
73.02914	2.9
75.99782	1.3
79.05498	10.9
81.03404	3.8
81.07059	22.8
83.04983	3.0
83.08617	19.0
85.02905	25.2
85.06561	1.5
91.05472	16.5
91.05995	2.0
93.07047	28.1
95.04974	3.1
95.08606	43.8
97.02882	6.8
97.06526	3.3
97.10180	4.7
99.04430	1.4
99.08083	1.6
103.05468	1.3
105.07031	33.7
107.08596	36.8
109.02897	3.4
109.06529	3.4
109.10152	22.1
111.08102	2.4
111.11745	2.1
117.07037	5.0
119.08585	51.1
119.09451	2.5
121.06525	2.9
121.10140	31.6
123.04422	1.8
123.08075	2.4
123.11709	8.9
125.06030	3.0
127.03890	4.8
127.07552	1.8
129.07024	2.1
131.08572	18.0
133.10124	38.6
135.08084	2.8
135.11700	18.4
137.05963	3.5
137.09618	2.0
137.13249	3.8
139.07497	1.4
143.08545	3.7
145.04976	3.6
145.10114	31.1
147.07948	1.6
147.11691	21.7
149.05998	5.9
149.09636	1.8
149.13239	10.2
151.03856	1.6
151.07573	4.4
153.01849	1.6
153.09076	1.3
157.10155	5.5
159.08066	1.4
159.11676	26.8
161.06003	1.9
161.09621	2.4
161.13278	15.4
163.03896	2.1
163.07561	4.6
163.11246	2.4
163.14810	6.3
165.09117	10.4
167.07034	15.8
169.10132	1.5
171.11681	3.9
173.09644	2.4
173.13283	18.1
175.14798	9.4
177.05519	3.1
177.09067	5.9
177.16399	4.4
177.43646	1.3
179.10646	1.9
181.08519	2.0
183.11613	2.2
185.09639	1.6
185.13263	4.3
187.14786	13.2
189.16370	20.1
191.10715	3.8
191.17949	100.0
193.08563	2.6
193.15970	1.6
194.24324	1.2
199.14821	5.3
199.78354	1.3
201.16383	82.9
203.17944	29.4
203.19714	2.4
203.43115	1.2
205.12251	1.8
205.19583	6.6
209.08150	7.0
210.96021	1.4
211.09683	4.8
211.14903	1.9
213.16362	2.7
215.14447	1.5
215.17941	3.5
217.19452	3.5
219.17476	18.3
221.19058	1.5
229.15878	7.0
233.15450	4.5
247.16927	39.3
251.16400	2.1
261.18567	1.4
263.16400	1.8
265.17950	25.6
335.23074	1.2
366.37753	1.5
391.33740	3.8
409.34689	4.3
437.34128	13.0
455.35077	4.2
617.25958	1.7
617.39813	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83925	4.9
51.80133	5.2
53.03939	7.6
55.05511	13.5
57.03428	12.4
57.07069	7.2
57.32982	4.7
67.05508	32.1
69.03422	16.0
69.07076	26.2
71.04992	34.8
71.62337	7.6
79.05480	20.2
81.03404	6.9
81.07053	56.7
83.04975	11.1
83.08601	13.6
83.43056	4.7
84.12265	5.0
85.02900	59.4
85.06532	6.3
91.05460	21.3
92.96510	4.8
93.07023	44.1
95.04966	30.7
95.08609	69.0
97.02849	6.4
97.06523	5.6
97.10175	6.9
105.07005	47.1
107.08595	69.7
108.81596	5.2
109.02853	8.1
109.06491	7.5
109.10152	52.8
111.04490	5.8
111.08024	6.4
117.06981	11.4
119.08578	100.0
121.10130	47.5
123.11721	14.7
127.03891	5.0
129.05443	12.8
131.08527	26.4
131.42195	6.0
133.10109	53.9
135.11665	16.8
137.09605	10.6
139.11121	5.6
143.08553	15.1
145.10117	60.0
147.06528	6.8
147.11696	40.2
149.09686	5.7
149.13266	46.8
151.78825	5.1
157.10121	18.1
159.08014	6.2
159.11674	39.7
161.13295	35.7
163.07520	7.2
163.14825	14.6
165.09155	6.2
169.10204	6.5
171.11687	18.4
173.09573	5.3
173.13298	40.8
175.14807	32.4
177.09253	5.9
177.16385	24.9
183.11658	9.5
185.13255	19.3
186.13957	5.5
187.14766	31.6
189.16331	44.3
191.17946	15.9
197.13245	10.7
199.14819	25.5
201.16354	80.7
203.14378	9.3
203.17941	22.5
205.15820	11.2
207.17471	16.8
211.14877	7.9
213.16373	19.2
215.17961	10.1
221.15331	6.8
225.16411	7.0
227.17947	6.5
229.19467	7.2
231.17624	7.7
245.15312	8.2
247.16826	25.4
259.17035	7.6
267.21176	6.5
273.18228	6.0
281.22983	5.7
389.31781	8.2
395.29428	7.4
407.33096	25.0
423.32230	10.0
433.31323	6.3
435.32657	53.1
453.33398	27.9
617.34607	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01877	2.8
55.05512	25.0
57.03437	3.9
57.07076	4.4
61.02920	4.7
66.16331	1.9
67.05505	16.4
69.03427	13.1
69.07067	21.6
70.06586	2.9
71.04997	15.9
71.61362	2.9
73.02921	4.6
79.05509	16.7
81.03419	5.5
81.07066	35.5
83.04993	4.9
83.08604	18.7
83.40607	2.1
85.02904	40.3
85.06557	3.6
87.04498	2.4
91.05486	22.9
93.07051	35.6
95.04956	12.5
95.08614	53.8
95.09233	3.2
97.02898	7.0
97.06548	6.9
97.10172	3.9
98.97565	4.7
99.04481	3.1
103.05481	4.1
105.07033	44.7
105.60480	2.1
106.04176	2.7
107.04957	3.1
107.08592	47.5
109.02898	3.3
109.06518	5.4
109.10165	37.9
111.08060	4.8
113.05992	3.0
117.07035	6.1
119.08581	70.5
121.06512	8.3
121.10137	43.6
121.82111	1.8
123.04391	2.3
123.08100	2.7
123.11716	8.6
125.06013	4.9
125.09612	2.8
127.03925	6.5
129.05478	5.7
129.06998	3.7
131.07074	3.2
131.08574	22.3
133.10138	47.9
135.11700	27.7
135.12668	2.6
137.06026	5.1
137.09682	5.0
137.13301	4.6
137.69870	2.1
143.08542	5.2
145.04939	3.8
145.10123	43.9
147.08244	1.9
147.11710	27.8
149.05975	8.6
149.09618	5.8
149.13271	19.7
151.03912	4.7
151.07532	8.3
153.09119	3.0
153.23727	2.4
155.08553	3.8
157.10176	9.3
158.99803	2.3
159.11697	34.2
161.13242	23.9
163.03963	3.4
163.07533	6.5
163.14838	5.1
165.09113	10.8
165.12723	2.1
167.07053	29.0
169.10156	4.6
171.11745	6.9
173.09654	2.4
173.13278	22.2
175.14838	20.3
177.05496	3.8
177.09108	3.6
177.16347	12.9
179.07098	2.6
179.14397	2.8
181.08693	2.5
185.13268	6.2
187.14796	18.8
189.16391	36.3
191.10683	3.9
191.17964	85.4
193.08682	4.3
197.13335	3.5
199.14801	8.9
201.16382	100.0
203.17978	28.5
205.15880	8.5
205.19511	6.0
207.17474	9.3
209.08092	6.2
210.93648	2.3
211.09657	9.0
211.14867	4.2
213.16348	7.6
215.17926	7.2
217.19553	3.8
219.13872	2.7
219.17450	16.7
225.16437	3.1
229.15860	8.8
231.17380	3.0
233.15448	5.6
233.18977	3.5
239.17896	3.1
241.19475	2.6
247.16963	45.8
249.18550	2.2
251.16302	2.3
255.21123	2.7
259.16962	4.2
265.17990	24.4
267.21005	3.4
278.19528	2.3
283.97784	2.5
391.33347	3.4
395.29327	4.0
407.33246	12.6
409.34256	2.7
427.34869	2.4
433.31100	3.1
435.32523	13.9
437.34393	11.6
453.33673	6.9
455.35172	5.3
506.59988	2.8
617.40173	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	617.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75554	0.5
55.05503	1.5
57.03448	0.6
57.07043	0.4
67.05511	4.6
69.07059	1.0
69.46873	3.5
73.59319	0.4
79.05488	2.9
81.07066	4.5
87.04468	0.6
91.05466	1.7
93.07039	3.3
95.04967	0.5
95.08597	3.9
97.06556	0.6
105.07012	1.3
107.08614	1.7
109.10152	2.0
119.08591	1.1
121.10153	0.9
123.08126	0.6
123.11730	0.5
131.08600	0.7
133.10143	1.1
135.11713	0.8
145.10156	1.3
147.11742	0.4
147.80241	0.4
159.11673	0.5
198.27081	0.5
218.57343	0.4
233.11513	0.7
260.08002	0.4
260.39401	0.4
283.15164	15.6
335.26035	0.8
339.17801	2.9
358.80701	0.4
392.70090	0.4
397.41098	0.4
407.59332	0.4
408.00372	0.5
468.27933	0.4
617.40222	100.0
618.40790	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	617.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.4
57.03431	11.9
67.05511	30.0
69.03422	19.5
69.07063	19.2
69.64170	30.1
69.64590	7.8
71.04993	36.4
73.02934	8.7
79.05488	16.3
81.03410	11.7
81.06725	4.0
81.07065	45.2
83.04992	11.3
83.08626	7.5
85.02911	75.9
91.05470	19.5
93.07059	43.6
95.04956	22.0
95.08619	67.6
97.02885	8.9
97.06539	6.7
99.04449	7.9
105.07041	65.4
107.08606	55.9
109.02872	10.1
109.06503	7.3
109.10169	43.1
111.08061	6.9
113.05972	6.4
113.96470	4.7
117.07041	6.1
119.08599	78.4
121.10158	43.1
123.11666	11.0
129.05490	19.8
129.06964	6.6
131.07056	8.6
131.08578	25.8
133.10159	51.7
135.11678	18.1
137.13243	6.3
143.08586	6.8
145.10159	55.2
147.11679	46.3
149.09578	9.6
149.13268	55.7
153.09062	5.8
157.10092	13.9
159.11693	35.4
161.13278	40.1
163.11205	4.8
163.14836	16.1
165.09135	7.5
167.07068	6.7
167.41434	5.0
171.11664	10.9
173.13316	32.3
175.14769	39.7
177.16367	32.2
183.11682	5.8
185.13258	13.8
187.14763	35.5
189.16411	52.1
191.17902	8.4
199.14903	14.1
201.16386	100.0
202.16646	6.2
203.14343	10.5
203.17923	32.5
205.15930	26.0
207.17493	30.4
211.15045	6.6
213.16344	15.2
215.17924	18.9
219.17464	7.7
221.15141	6.2
223.14880	5.3
229.19409	8.0
231.17285	5.3
233.18983	13.0
239.17982	7.6
245.15239	5.9
247.16917	45.5
283.32111	4.7
284.68341	4.7
389.31799	5.8
395.29233	14.1
407.33066	40.7
409.34680	5.8
413.60510	5.0
423.32294	12.7
435.32675	37.0
437.34537	5.1
453.33707	25.3
471.34473	6.1
573.35645	9.1
617.34644	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56357	4.8
53.03942	6.4
55.05504	13.1
57.03431	10.5
63.57627	4.5
65.03931	4.8
67.05505	25.0
69.03417	12.0
69.07051	16.4
71.04998	37.2
75.04469	5.5
79.05479	16.7
81.07057	46.6
83.04967	10.0
83.08629	5.8
85.02905	58.1
89.50820	5.1
91.05449	19.9
93.07032	36.3
95.04962	31.0
95.08050	5.6
95.08617	58.7
98.20698	11.2
105.07035	48.5
107.08598	54.8
109.06535	5.6
109.10168	37.1
111.04409	6.5
114.45815	5.5
117.06998	7.5
119.08572	72.5
121.10146	32.8
123.11701	12.5
129.05472	14.3
131.08568	30.2
133.10132	51.0
135.11688	26.0
135.37292	5.0
137.09651	6.3
143.08519	10.3
144.09322	5.9
145.10098	46.8
147.11667	45.2
149.13264	45.2
149.82158	4.4
157.10124	11.7
159.06573	4.9
159.11732	45.5
161.12122	5.0
161.13258	32.7
163.14850	10.2
171.11716	10.1
173.13248	40.0
175.14861	45.4
177.09059	5.7
177.16400	31.9
183.11636	6.0
185.13292	10.7
187.14818	36.9
189.16399	53.3
189.59735	4.8
191.17958	8.7
199.14801	18.7
201.16402	100.0
203.17972	28.1
205.15913	32.4
207.17474	37.8
213.16370	19.0
215.17969	18.3
219.17397	10.2
221.15405	6.8
227.17921	9.4
233.18950	12.6
241.19550	5.6
245.15395	7.3
247.16945	45.0
265.19632	5.4
293.62888	5.3
389.31836	12.1
395.29425	10.0
407.33084	35.3
423.32547	7.8
433.31110	9.4
435.32639	44.2
453.33508	26.0
454.06656	6.0
483.69107	5.7
523.37817	6.5
617.34613	15.6
617.45459	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	617.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05510	1.3
57.03432	3.4
59.05013	0.8
61.02920	4.3
65.43469	0.6
67.05510	3.9
67.05810	0.6
69.03427	3.0
69.07066	2.4
71.01338	1.0
71.04996	1.6
71.61494	0.5
71.61885	0.7
73.02917	33.4
79.05492	2.4
81.03395	0.8
81.07059	6.5
83.04995	0.7
83.08609	0.9
85.02909	5.1
91.05483	4.4
93.07040	6.1
95.04974	1.0
95.08609	9.5
97.02892	1.3
97.06551	1.2
105.07042	7.0
107.04947	0.8
107.08591	8.3
108.56339	0.6
109.10146	6.0
114.79825	0.7
115.03947	2.7
116.06216	0.9
119.08586	7.9
121.06496	0.6
121.10130	4.6
123.11737	3.1
129.07027	2.9
131.08563	13.0
133.10146	7.8
135.08098	1.3
135.11694	6.6
137.09671	0.6
137.13203	0.7
139.11198	1.2
142.07793	1.0
143.08566	6.0
145.10141	5.4
147.08069	1.5
147.11691	5.2
149.13306	1.4
155.08603	1.0
156.09346	1.9
157.10118	6.1
159.08051	37.5
159.11688	3.5
160.08653	0.7
161.09604	1.9
161.13309	2.4
163.14854	1.5
168.09470	0.7
169.10178	1.2
171.08072	0.6
171.11703	12.2
173.09627	7.4
173.13258	3.7
175.07480	3.7
175.11198	1.3
175.14891	2.2
181.10106	1.1
183.11774	1.9
185.13214	1.0
187.11177	0.9
187.14876	2.3
189.09122	1.1
189.12714	3.3
189.16403	8.8
191.17986	7.6
193.08488	0.7
199.11176	26.4
201.12704	4.8
201.16360	0.9
203.07089	1.2
203.10722	0.9
203.17996	2.9
207.17496	2.1
213.12828	2.2
213.16397	0.8
215.14302	1.3
215.17969	0.8
217.12239	34.0
219.13763	3.7
225.16356	1.1
227.14339	0.7
231.13806	8.4
233.15408	0.8
243.14064	0.9
245.11713	6.5
259.13428	2.0
263.12793	26.6
265.14261	0.8
275.12735	0.7
277.14349	18.9
303.46341	0.6
306.00705	0.7
323.32516	0.6
403.30017	0.9
409.18979	0.6
429.11990	1.3
435.32507	1.1
437.34363	0.9
449.30563	1.1
467.31528	4.7
485.32535	3.2
520.47479	0.7
547.32733	5.4
571.36304	9.2
617.36804	100.0
618.37299	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	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
57.03444	3.9
61.02913	3.0
69.03426	7.2
69.93945	9.3
70.06596	2.5
73.02917	2.6
79.05486	7.4
79.39085	2.1
80.09898	2.5
81.03419	11.4
81.07067	2.9
85.02901	15.6
89.06017	5.0
91.05473	4.8
95.04977	3.6
97.02891	8.4
98.20823	3.8
98.97569	4.1
103.05447	2.2
105.00239	2.1
105.07034	4.7
107.04948	24.0
109.02846	2.2
115.05451	6.5
117.07007	9.1
123.04424	5.6
124.05233	3.8
125.06034	3.5
127.03898	4.7
129.06989	8.2
131.04980	3.1
131.08577	8.1
137.05984	5.2
141.06999	4.3
144.05690	5.1
145.04951	5.5
145.06480	20.5
155.06071	4.1
156.05708	10.2
159.08051	16.4
161.05949	3.4
162.07581	3.0
167.07034	92.2
167.22604	2.4
173.05952	25.3
175.07533	2.7
177.05406	2.5
180.08717	3.5
180.43367	2.2
181.05060	2.6
186.06723	3.4
187.07545	9.4
189.00703	2.4
190.06239	18.5
201.09003	3.0
202.06213	2.8
203.07092	4.3
205.08601	31.9
208.05243	4.7
217.08612	44.1
218.07236	3.4
219.08058	7.6
219.10141	5.8
220.08780	3.5
221.06023	4.5
229.08591	6.4
231.08038	5.8
231.10173	4.8
233.09625	2.7
235.09636	8.4
236.08290	4.3
237.02943	3.2
239.07011	3.2
247.07404	8.0
247.09676	16.6
248.08330	8.6
251.10802	3.1
254.05611	3.3
259.07727	3.2
261.09152	6.0
263.10654	6.5
264.07846	6.1
265.10742	9.6
266.05878	2.1
269.08121	8.0
271.09592	6.2
276.07959	5.3
277.08377	5.3
279.10181	8.2
281.08539	6.5
282.08899	4.7
285.11191	3.3
291.10141	8.7
292.07361	4.3
292.10696	2.6
293.08160	6.7
299.09018	3.4
305.08105	2.9
307.09702	8.9
308.10474	4.5
309.11105	2.9
310.08545	3.5
315.08630	25.7
319.09637	6.1
321.07779	2.8
323.12738	9.5
325.10715	3.3
330.10944	53.1
331.11691	8.2
336.09848	3.9
337.10706	5.7
339.12308	8.9
343.12082	10.9
350.11548	3.7
351.12317	18.3
353.10300	6.1
368.12180	10.6
369.13300	7.6
371.14847	9.6
383.14865	100.0
401.15973	54.2
436.43881	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	617.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
55.05506	7.5
56.72997	3.5
57.03431	12.0
57.46020	3.3
60.93646	3.6
61.02921	13.1
67.05505	15.2
69.03416	13.3
69.07069	15.9
71.01328	6.2
71.61413	4.7
73.02919	100.0
79.05494	14.1
81.07059	29.0
83.08629	8.8
85.02901	15.4
85.50209	3.6
87.92355	3.4
90.83646	3.5
91.05467	13.9
93.07055	31.2
95.08605	48.4
97.02890	9.1
97.06531	11.8
105.07023	31.9
107.08594	47.0
109.06461	4.7
109.10149	40.0
111.08016	4.5
115.03928	12.1
117.07010	8.6
119.08582	56.8
121.10139	33.5
123.08091	4.7
123.11715	12.9
129.05511	4.1
129.07112	4.6
131.08575	16.0
133.10139	41.4
135.08028	6.3
135.11734	23.6
137.05992	4.3
137.78242	3.5
142.07828	5.7
143.08565	26.1
145.10147	39.8
147.11700	28.2
149.09663	4.3
149.13277	17.6
155.08511	8.0
156.09297	6.4
157.10132	30.0
159.11697	49.4
161.06105	3.5
161.09647	5.1
161.13298	23.9
163.14815	8.5
165.09077	5.8
165.36269	3.8
167.07040	17.4
167.08369	4.7
168.07510	4.9
169.10146	14.8
170.10809	4.5
171.08046	4.6
171.11665	21.6
173.13226	23.0
175.11168	8.6
175.14842	14.0
177.16357	13.4
181.10153	13.3
183.11661	24.1
185.13321	19.4
185.44298	3.3
187.11212	5.2
187.14758	21.7
189.12750	7.1
189.16380	41.8
191.17905	12.0
193.08562	3.8
193.10265	3.9
195.11832	5.1
197.09741	4.2
197.13252	20.4
199.11238	8.8
199.14835	16.5
201.12729	10.3
201.16394	40.0
203.14139	4.6
203.17917	17.2
207.17468	7.0
209.13399	4.7
210.14055	4.1
211.14828	13.5
212.15619	6.0
213.12831	6.8
213.16420	11.1
215.14320	15.5
215.18018	13.3
217.12263	10.5
217.15781	4.5
219.17511	3.8
221.13316	4.4
223.14799	9.2
225.16400	6.8
227.14360	12.5
227.17943	8.7
229.15829	4.5
231.13792	4.8
239.14554	4.2
239.17902	5.9
245.11784	13.2
245.15388	7.2
255.17412	4.6
255.21024	10.6
259.13333	5.6
265.19617	5.7
267.17508	9.1
269.18848	4.5
277.14484	5.7
336.27454	4.0
345.25848	4.1
361.28946	6.4
393.31625	4.8
403.29932	36.5
405.31561	6.8
421.30997	36.5
431.29337	9.2
439.32120	5.5
449.30569	70.0
450.30820	7.5
467.31647	70.7
485.32254	11.0
553.35272	53.7
571.35541	10.0
599.35895	9.1
617.26996	9.9
617.36688	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	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05516	21.1
57.03429	8.3
57.07078	8.5
64.59203	2.2
65.03919	2.8
67.05508	56.7
69.07066	24.9
70.84094	6.0
79.05499	30.8
81.07055	62.8
81.07508	3.7
83.08617	11.9
85.10158	2.8
89.06037	4.2
91.05477	20.9
92.60790	2.4
93.07054	38.2
95.04993	2.9
95.08617	45.9
95.72245	2.7
97.10179	7.9
105.07033	25.0
107.08596	26.7
109.10170	28.9
115.71060	2.4
117.07027	7.2
119.08590	22.7
119.90627	2.2
121.10174	17.8
123.11733	8.8
129.06995	3.3
131.08549	13.3
133.10127	18.2
135.11653	14.3
141.98888	2.5
143.08595	3.4
145.10120	14.7
147.11726	10.7
149.13266	8.6
157.10155	4.0
159.11745	8.3
161.13307	7.2
163.14813	5.4
165.50568	2.6
173.13335	8.0
175.14868	7.1
187.14828	2.9
189.16374	3.9
219.21088	2.6
243.21173	3.5
259.20737	3.6
261.22241	6.9
335.25974	8.9
337.27441	12.5
339.28998	3.0
396.29147	2.6
399.12311	2.6
472.64853	3.0
523.45166	5.5
541.45880	3.3
597.17291	2.6
597.48669	11.3
615.49841	100.0
627.78418	2.8
644.62366	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
54.92606	1.8
55.76822	1.7
57.19857	1.8
58.13805	1.7
61.76942	2.0
67.35290	1.6
69.03423	4.1
69.42354	6.1
69.42780	9.4
71.04971	1.9
79.05488	7.8
80.52637	1.7
81.03406	5.1
81.07081	2.1
85.02907	6.7
91.05490	4.7
98.97605	2.2
107.04967	20.8
110.17414	2.1
115.05482	2.8
117.06982	4.1
119.08591	1.8
121.06519	2.5
123.04406	6.9
124.05244	3.5
124.38883	2.2
125.05943	1.9
128.06207	3.1
129.07013	3.5
131.08562	4.2
133.06516	4.0
137.05867	1.7
141.06992	2.1
144.05707	4.5
145.06465	10.7
147.04376	1.9
149.05988	3.5
151.03902	2.8
152.04619	3.0
153.01840	3.8
155.05989	2.3
155.07137	1.8
156.05698	8.0
157.06506	3.2
159.08081	10.2
161.05969	3.9
163.03886	2.4
165.05470	2.0
167.07047	100.0
173.05983	13.1
177.05479	3.4
181.08612	15.9
184.05263	2.0
187.07526	10.0
189.09119	2.8
190.06230	8.5
193.08591	9.7
199.07578	4.4
202.06221	3.4
205.08592	19.5
209.08083	4.8
215.06932	3.5
216.07706	2.8
217.08595	34.9
219.08208	3.6
219.10187	6.5
229.08546	4.2
231.08177	2.8
231.10190	16.2
232.08824	2.6
233.09676	3.6
235.09653	2.6
236.08382	2.8
238.06218	2.0
247.07451	5.1
247.09671	14.5
248.08330	4.4
249.11244	11.1
261.08990	3.5
263.10690	4.6
264.07831	4.3
265.10779	5.2
267.06293	2.4
269.08151	4.0
275.06970	2.4
276.07864	4.0
279.10086	6.0
290.09338	3.0
291.10004	5.6
293.08026	4.7
293.11554	2.5
294.08868	2.8
299.09067	2.6
307.09567	5.3
308.10245	3.9
315.08646	16.2
319.09613	3.6
321.07593	2.4
321.11148	4.2
323.12735	2.8
330.10989	26.2
331.11786	3.4
336.10037	3.3
337.10541	3.3
339.12213	2.6
343.11752	3.2
351.12146	8.0
353.10172	6.0
353.14093	4.5
368.12631	4.4
369.13281	3.2
371.14862	6.2
383.14890	65.3
383.19757	4.0
385.16467	24.5
401.15961	37.8
617.09326	16.8
629.87811	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3534
Annotation	Sch 601324
Peak:m/z	Relative Intensity
50.53814	6.8
53.03941	6.7
55.05513	22.6
62.38406	7.0
65.03942	7.7
65.94046	6.5
67.05504	26.7
69.03423	11.8
69.07069	26.5
71.01363	13.5
71.24488	6.3
72.20394	6.4
73.02914	9.4
73.46297	8.8
79.05491	23.3
79.83928	6.7
81.03416	10.8
81.07064	62.7
85.02905	26.5
91.05489	33.9
93.07045	69.6
95.01350	10.5
95.04965	9.4
95.08607	100.0
97.06528	9.8
100.65775	6.1
105.07036	74.0
107.08591	99.6
107.79934	7.7
109.10156	26.9
111.08086	13.2
113.02335	8.1
113.29754	7.0
113.52290	6.9
117.07003	13.4
119.08581	86.4
121.10169	55.1
123.08079	8.7
123.11674	8.5
129.06999	11.7
131.08588	48.2
133.10161	51.4
135.08058	15.2
135.11702	21.7
141.01822	24.0
141.07016	9.5
143.08519	37.4
145.10147	57.1
147.08015	7.9
147.11688	42.0
149.13268	20.3
154.71700	7.4
155.08553	9.7
157.10146	28.5
159.11682	33.9
161.13261	18.5
163.14803	73.5
165.09143	9.0
167.10692	16.6
169.10129	15.4
171.11722	30.9
173.13245	26.9
175.14783	52.7
177.16377	10.9
183.11726	15.0
185.13303	18.0
186.45944	7.4
187.14841	30.5
189.16417	18.5
195.11714	11.5
197.13214	10.2
199.14862	16.1
200.71114	7.9
201.16330	48.5
203.17899	8.2
207.11852	8.2
209.13255	12.2
211.14810	10.6
213.16379	22.5
214.81337	7.5
215.17970	9.5
221.15355	18.2
223.14763	9.4
227.17972	19.2
239.17946	24.4
241.19542	11.9
245.06172	8.2
247.17055	15.3
253.19562	14.1
255.14040	7.6
259.17123	10.7
264.51129	7.9
267.20901	8.6
268.38156	8.6
273.18420	13.7
279.21143	11.8
285.18436	23.9
299.20294	8.4
375.30338	32.2
393.31567	20.4
421.31082	96.0
439.32050	24.0
569.34277	13.8
615.33209	22.1
615.41315	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	615.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05501	16.3
57.07074	9.7
59.04998	14.3
65.03937	3.5
67.05505	24.5
69.03441	5.3
69.07072	6.4
71.04998	3.6
71.61815	5.4
79.05494	21.4
81.07063	29.4
83.04977	4.8
83.08627	4.6
83.64310	3.4
85.06541	21.6
89.06046	5.5
91.05480	34.6
92.57880	3.4
93.07054	51.2
95.04973	12.9
95.08614	40.0
103.05491	4.4
105.07031	55.8
107.08601	36.1
107.50342	3.5
109.06532	10.3
109.10190	22.3
111.08113	6.7
115.05479	4.1
117.06987	14.4
118.96532	3.0
119.08593	67.1
121.06503	7.0
121.10144	29.7
123.08073	33.0
123.11713	5.8
125.05976	6.4
125.09663	10.8
128.06195	6.0
129.06961	7.3
130.07776	4.1
131.08582	22.4
132.09271	3.1
133.06555	5.3
133.08617	7.0
133.10132	45.7
135.08072	11.3
135.11684	20.1
137.09663	11.2
139.11215	3.4
142.07791	10.8
143.08595	19.5
145.06526	4.5
145.10123	35.1
147.08020	14.7
147.11702	17.9
149.09613	8.9
149.13280	4.7
151.07567	34.2
151.11235	13.2
155.08537	7.7
156.09381	7.6
157.10132	30.5
159.08052	5.2
159.11708	18.0
161.09631	11.6
161.13237	7.0
163.11227	12.5
165.09163	29.0
167.08511	6.6
169.10193	9.4
171.11642	18.0
173.09628	5.3
173.13239	17.7
175.11168	4.9
175.14825	19.2
177.09100	3.2
178.08322	3.2
179.08632	4.5
181.10046	6.1
181.12245	9.5
182.11003	4.7
183.11746	9.7
185.13300	9.2
187.11220	4.6
187.14864	5.4
189.12784	13.5
191.14423	6.0
192.09227	3.8
193.10228	5.1
193.12207	4.5
195.11702	7.7
197.13290	12.1
199.14832	3.7
201.12701	3.7
201.16269	4.0
203.14262	15.2
207.11850	6.4
207.13857	15.8
209.13264	8.8
211.11195	4.4
211.13127	5.1
211.14938	6.8
215.14250	3.7
221.13422	6.5
221.15384	73.2
223.14952	6.0
223.16989	12.5
227.14189	3.9
235.14845	7.2
237.16336	4.3
249.16347	4.2
286.19476	3.7
299.20102	6.1
375.26743	5.8
381.28067	3.9
385.54431	3.3
491.35046	11.8
583.41327	19.5
597.43530	8.4
615.44202	100.0
624.90778	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.80421	0.7
53.03941	2.2
55.01857	1.3
55.05257	1.2
55.05511	17.8
57.03450	4.3
57.07075	4.5
65.03933	2.0
67.05504	49.3
68.02248	0.7
69.07071	17.8
70.85056	1.8
70.85414	0.8
71.04969	1.5
71.08638	1.3
79.05495	26.3
79.05953	1.5
81.07056	54.4
83.04978	1.0
83.08619	10.1
85.06544	1.1
91.05479	21.7
93.07047	33.8
95.04962	2.6
95.08605	41.7
97.06519	2.3
97.10179	5.4
99.08113	2.0
103.05437	0.8
105.07031	24.7
107.04963	0.8
107.08591	22.7
109.10157	23.1
109.10911	1.2
109.62122	0.8
111.08080	1.5
111.11731	1.4
115.05434	0.8
117.06996	10.3
119.08584	25.4
121.10138	20.0
123.11712	10.1
125.09603	0.9
129.06972	4.2
131.06557	0.9
131.08574	16.9
133.09111	1.0
133.10132	19.7
135.11682	15.2
137.09639	1.0
137.13278	2.5
139.11205	1.5
141.06921	1.0
143.08565	6.9
145.10123	18.8
147.11685	14.3
149.13255	9.3
151.14850	1.0
155.08566	1.5
156.09317	0.9
157.10115	5.9
159.11682	13.1
161.13266	11.7
162.79062	0.9
163.11209	0.9
163.14862	5.7
165.16492	1.5
169.10167	3.0
171.11668	6.3
173.13261	10.5
175.14824	6.5
177.12735	0.9
177.16353	2.1
183.11684	2.7
185.13245	5.5
187.14783	7.3
189.16420	2.1
191.14275	0.9
191.17964	1.3
197.13306	1.3
199.14845	4.9
201.16431	3.7
203.17981	2.5
213.16417	2.5
215.18019	2.5
217.19562	1.5
219.17444	1.0
227.18018	2.0
231.21036	1.5
239.17952	1.0
241.19742	3.9
243.21150	2.8
257.19089	1.4
259.20581	9.6
261.22153	10.3
263.23706	1.4
273.22214	1.2
275.24091	0.9
279.23248	1.6
287.23752	1.3
295.22549	1.1
299.23572	2.0
313.07141	1.0
315.26904	1.4
317.24792	1.7
333.24371	4.6
335.25769	15.1
337.27371	8.2
347.25870	1.0
353.27231	0.8
392.79242	0.9
399.32922	1.2
489.35840	1.8
491.37393	1.0
503.36810	1.4
517.38611	1.3
521.43433	5.7
529.38995	1.4
539.44611	3.1
543.40729	1.9
595.47284	11.2
613.48254	100.0
614.48682	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
53.66285	3.0
55.01846	3.1
55.05513	29.9
57.03428	13.7
57.07075	8.3
67.05172	4.1
67.05507	57.0
69.07077	23.2
71.04974	4.4
71.08620	4.0
71.32127	6.7
79.05469	19.5
81.03420	74.6
81.07059	61.5
82.97422	3.2
83.04981	7.9
83.08640	26.0
85.06535	5.3
89.06036	18.9
91.05479	23.9
93.07034	29.2
95.04977	22.6
95.08615	50.1
97.06560	6.9
97.10145	10.8
105.07043	24.4
107.04979	5.2
107.08590	13.1
108.02901	3.5
109.06532	6.8
109.10159	19.9
111.08118	7.5
117.07050	5.7
119.08591	21.6
121.10135	15.3
123.11689	9.0
129.07013	11.0
131.08554	15.5
133.08595	16.2
133.10139	10.0
134.85051	3.2
137.13173	4.4
143.08589	4.0
145.10126	8.7
147.11723	10.7
149.09680	5.0
149.13271	4.5
157.10133	13.0
161.13300	7.8
165.12671	3.7
171.08098	3.5
175.11200	7.6
177.11252	3.9
183.54648	3.2
193.12273	22.2
267.15921	100.0
337.27390	91.4
401.48947	4.3
402.58578	3.7
455.35370	4.7
529.38995	67.0
547.40167	20.6
614.39032	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03943	4.2
55.05513	21.7
57.03441	7.9
57.07068	5.8
65.03947	2.7
67.05505	62.1
69.07066	26.6
71.04994	2.4
71.08629	2.6
72.06266	1.5
79.05495	39.1
81.07057	77.8
83.04995	2.2
83.08620	13.7
85.06538	2.1
86.34139	1.6
91.05476	29.0
93.07043	50.8
93.07615	3.0
93.62610	1.6
95.04984	3.8
95.08606	55.6
97.06534	3.6
97.10187	7.3
98.20676	3.0
99.08092	2.4
103.05516	2.0
105.07032	30.9
105.07736	1.6
107.08604	31.2
109.06512	1.8
109.10166	28.1
111.08095	1.7
111.11739	2.4
112.26932	1.5
117.06994	13.9
119.08585	30.4
121.10150	28.8
123.08067	1.8
123.11735	12.4
128.06302	1.6
129.07028	5.3
131.08563	24.5
133.10136	25.2
135.11702	22.2
137.09691	1.6
137.13281	5.0
143.08565	7.7
145.10126	23.7
147.11676	20.3
149.09639	1.8
149.13254	9.0
151.11142	1.7
157.10187	6.7
159.11681	14.9
161.13261	15.0
163.14828	7.4
169.10062	2.5
171.11736	7.6
173.13229	14.9
175.14873	7.2
177.16397	3.5
183.11681	2.9
185.13272	6.0
187.14897	7.6
197.13232	2.8
199.14854	4.5
201.16437	4.7
201.58768	1.8
209.13292	2.2
213.16322	1.9
215.17984	2.2
217.19699	2.3
229.19594	2.0
241.19693	3.2
243.21120	5.3
245.22743	1.8
251.53712	1.5
259.20630	7.1
261.22205	9.9
263.23679	2.0
277.21640	4.8
287.23706	2.5
289.04590	1.8
299.23813	2.7
317.24994	2.4
333.24237	5.0
335.25790	15.4
337.27365	7.8
355.30112	2.1
521.43536	5.7
529.38995	2.3
539.44794	3.7
594.02942	2.0
595.47198	12.3
613.48303	100.0
614.48541	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	613.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.0
53.03938	3.2
55.01847	2.8
55.05512	9.2
57.08429	2.8
61.02918	6.9
67.05503	10.5
69.03432	17.0
69.07065	15.1
70.75111	4.7
70.75496	4.9
71.04980	2.7
73.02914	6.9
79.05500	11.0
81.03420	9.4
81.07055	25.6
83.08626	8.7
85.02914	42.3
91.05481	18.9
93.07047	34.4
95.08611	41.8
96.08971	3.1
97.02880	16.8
97.06511	4.2
97.10176	3.9
99.09989	2.5
103.05464	3.4
104.01570	2.7
105.07021	24.8
107.08599	46.3
109.02908	3.3
109.10152	25.3
111.08066	3.2
117.07035	5.3
119.08578	61.0
121.10152	42.4
123.11716	11.5
125.05948	3.6
127.03927	5.9
129.06984	5.8
131.04938	4.4
131.08569	32.0
133.10132	26.2
135.04562	2.8
135.08067	4.3
135.11707	25.9
137.05991	7.7
137.13274	4.5
143.08546	19.8
145.04982	4.1
145.10153	33.2
147.11688	18.9
149.13280	10.4
155.08539	10.0
156.09404	4.9
157.10129	25.6
159.11687	28.8
161.13245	16.2
163.07552	8.2
163.14861	8.3
167.07047	8.9
169.10123	17.7
171.11714	19.3
173.13272	20.7
175.14803	15.5
177.16431	12.1
181.04991	3.9
181.10065	5.6
183.11705	23.7
185.13246	21.4
185.89656	2.7
187.14854	19.4
189.16467	18.3
191.06944	5.4
191.10641	3.1
191.17944	4.2
195.11702	9.2
196.12395	3.7
197.13275	18.3
199.11142	3.7
199.14815	27.0
201.16489	16.2
203.17975	7.6
209.13326	10.7
211.11443	3.6
211.14803	20.8
213.16292	15.0
215.17860	7.2
217.15771	2.7
219.13771	3.9
221.13161	3.4
223.14925	8.8
225.16415	12.6
227.10703	3.5
227.17972	7.5
229.12213	6.6
231.13815	4.3
237.16364	3.3
239.18126	4.9
243.13890	6.5
245.15413	7.2
247.17006	5.2
251.17992	10.7
253.19478	15.7
257.15384	22.1
265.19547	6.3
267.21048	3.8
271.16791	7.5
277.19522	3.4
297.18500	12.2
299.20111	14.9
311.20068	5.0
323.20316	3.6
331.24426	3.2
363.23108	3.2
387.30585	12.7
389.32010	7.9
405.31601	13.0
407.33151	3.1
423.32916	3.6
433.31058	100.0
444.32324	2.7
451.32138	65.9
525.92188	3.9
567.35913	6.2
613.37476	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	613.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.2
56.96549	4.5
57.07074	5.2
67.05507	19.9
69.07072	15.3
71.62203	5.2
79.05494	15.2
81.07061	34.3
83.01423	3.5
83.08598	6.7
84.94871	4.4
85.02924	5.4
87.79781	3.2
91.05474	15.5
93.07049	34.7
95.01331	5.4
95.08605	65.2
95.16219	3.9
97.02880	3.3
97.10144	5.4
98.97614	6.6
99.08112	3.5
101.73174	3.9
105.07035	38.0
107.07928	6.5
107.08598	51.4
109.10149	33.4
111.72008	3.4
119.08585	73.1
121.10134	34.5
123.11712	14.1
131.08553	27.7
133.10156	34.3
135.11720	26.9
142.07741	4.8
143.08519	6.2
144.70470	3.4
145.10123	57.8
145.89987	4.2
147.11681	30.9
149.13277	12.1
152.42897	3.9
157.10130	10.4
159.11702	41.3
161.13275	24.2
163.07439	4.1
163.14851	13.6
164.37941	3.4
171.11688	10.1
173.13257	30.0
175.14818	26.8
177.16313	13.0
183.11723	7.1
185.13329	20.5
187.14822	27.4
189.16350	22.7
191.17947	49.8
199.14828	15.2
201.16391	100.0
203.17955	25.1
205.19456	6.6
213.16306	9.5
215.17909	19.4
217.19437	7.0
219.17296	5.2
219.21280	4.3
221.15417	4.4
228.99072	3.8
229.19545	10.5
233.15379	6.4
239.18085	3.5
247.16873	20.8
255.21074	7.4
262.35760	4.5
269.22635	5.3
286.15189	3.9
391.33521	14.9
409.34549	5.5
419.32690	4.4
437.34363	32.3
487.04776	5.0
567.36841	18.8
613.36914	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	613.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29300	1.7
53.03933	2.1
55.05508	13.4
55.23340	1.8
57.03441	3.8
57.07070	4.6
61.02901	2.9
65.03928	2.3
65.75561	2.0
67.05505	31.6
69.03443	2.5
69.07063	17.6
73.02926	6.8
79.05488	17.8
81.03395	3.0
81.06571	2.7
81.07057	54.7
81.07516	4.2
83.08625	7.8
85.02918	13.2
85.03342	2.1
91.05483	20.7
93.07049	54.6
95.01312	2.2
95.04973	5.8
95.08608	100.0
97.02943	2.1
97.10164	7.5
101.02376	5.1
103.03932	4.1
105.07029	57.4
107.04979	2.2
107.08599	76.7
108.92794	1.9
109.06531	4.0
109.10157	64.8
111.08064	5.4
117.00164	1.7
117.07011	11.3
119.08587	91.3
119.09451	4.4
121.10146	56.5
123.08104	3.1
123.11726	13.8
128.06296	1.8
128.28896	1.9
129.07019	5.3
131.08557	27.6
133.10135	69.2
135.08119	2.9
135.11693	33.4
137.06039	2.3
137.13251	5.5
141.01846	6.3
141.06975	3.0
142.07808	2.8
143.08563	14.5
145.10133	55.5
147.11693	48.6
149.09639	2.4
149.13272	35.4
151.07550	2.1
153.09119	2.3
155.08556	4.4
157.10120	20.3
159.11682	45.5
161.13251	28.8
163.07486	2.5
163.14832	28.2
163.16110	3.6
165.09129	3.7
165.16417	2.8
167.10745	2.2
169.10144	8.1
170.10912	2.2
171.11656	17.3
173.09633	3.3
173.13239	27.3
175.11043	2.3
175.14819	30.7
177.09085	4.5
177.16393	26.2
181.10165	2.3
183.11659	11.1
185.09645	3.6
185.13239	12.4
187.14806	38.5
189.16382	89.5
191.17961	15.8
195.11633	3.4
197.13283	8.1
199.14828	14.0
201.16386	53.0
203.17961	68.3
205.15804	3.4
205.19543	3.4
207.17438	2.2
209.13309	6.7
211.14868	7.6
213.16415	14.6
215.17941	28.0
217.15941	3.8
217.19524	9.4
219.17545	3.7
221.18968	3.3
223.14832	3.0
225.16406	6.5
227.17918	13.9
229.15858	3.4
229.19536	10.3
231.13905	2.1
235.16927	5.3
239.14229	2.1
239.17943	7.1
241.19441	8.0
243.17412	3.3
243.21141	12.0
245.15457	2.2
245.19101	2.1
247.16864	13.0
249.18527	6.1
251.14343	2.3
251.17580	2.2
253.19772	2.5
255.21109	8.0
261.18631	11.6
265.19614	3.4
267.21091	6.6
269.22717	5.9
273.18604	3.1
281.22635	4.4
283.24286	3.8
285.18405	2.6
287.20114	3.5
295.24194	7.3
301.21732	2.9
307.24261	3.0
315.23251	3.0
321.25671	2.8
347.18765	3.5
351.18344	2.7
365.19720	17.0
377.19400	5.2
379.21118	9.3
389.19522	3.5
391.33640	36.1
403.21243	2.4
409.34573	9.9
419.33041	5.2
437.34219	43.0
471.27628	3.2
472.35266	2.4
531.35193	2.9
549.35724	5.5
567.36823	85.0
577.35181	3.3
595.36450	14.8
613.37988	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.05505	11.2
57.07069	3.0
61.02922	7.8
67.05503	13.9
69.03419	20.6
69.07063	14.4
69.70393	7.3
69.70806	10.5
71.47912	2.3
73.02923	2.4
78.73947	2.3
79.05499	13.2
81.03419	7.4
81.07057	32.5
83.04984	3.6
83.08620	6.1
85.02898	42.5
87.04486	2.5
91.05473	21.4
93.07044	35.3
95.04978	4.2
95.08609	48.4
97.02904	17.5
97.06536	3.9
97.10174	2.4
99.04463	3.1
105.07019	32.2
107.08590	54.1
107.09272	3.6
107.17911	2.1
109.02892	5.7
109.10152	27.7
117.07032	6.8
118.60689	2.3
119.08580	72.6
121.10130	37.1
121.10908	3.6
123.11684	12.3
127.03951	10.4
128.06262	4.9
129.07033	6.7
131.08554	24.5
133.10126	34.7
133.11075	3.5
135.11688	28.5
137.05972	3.0
142.07797	6.6
143.08554	23.2
144.09389	3.4
145.04948	4.6
145.10114	46.2
147.11696	24.6
149.09644	3.2
149.13310	11.4
151.07544	3.8
155.08606	9.6
156.09363	4.3
157.10132	26.2
158.10881	4.2
159.08138	3.4
159.11682	27.7
161.13242	15.5
163.07558	10.2
163.14833	8.7
165.12790	2.7
167.07065	4.1
167.08534	4.4
168.09357	6.1
169.10149	20.7
170.10918	4.0
170.42894	2.3
171.11710	20.6
173.13226	21.2
175.07634	3.2
175.14816	19.4
177.09056	3.8
177.16417	13.6
181.10184	9.0
182.10994	6.1
183.11714	31.3
184.12492	4.3
185.13266	22.2
187.14798	19.8
189.09230	2.6
189.16364	19.7
191.18013	5.1
195.11710	13.8
196.12482	3.0
197.13258	21.1
199.14812	28.8
201.16389	21.6
203.10715	3.7
203.18057	7.0
205.19597	3.6
207.11734	3.3
209.13304	9.2
211.14819	21.9
213.16446	10.9
215.17966	5.6
221.13214	2.8
223.14902	9.1
225.16339	13.8
227.18013	7.6
229.12292	8.4
231.13847	6.0
235.14871	3.2
237.16425	5.5
239.18051	8.2
243.13913	5.7
245.15314	11.7
249.16573	5.7
251.17986	20.5
253.19568	18.3
257.15332	21.1
263.18103	4.3
265.19626	8.4
267.21219	3.9
271.17053	5.8
277.19489	3.2
285.18542	5.5
297.18549	12.4
298.19141	2.7
299.20108	6.5
309.18634	3.2
311.20111	9.1
331.24435	2.8
337.21722	3.6
345.25760	3.7
349.21594	3.3
351.23413	3.0
363.23050	2.5
377.24994	3.7
387.30579	9.6
389.32318	10.2
405.31522	13.1
433.30984	92.6
451.32047	51.4
456.95709	2.7
567.36011	3.5
613.27319	4.8
613.37457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.05505	11.2
57.07069	3.0
61.02922	7.8
67.05503	13.9
69.03419	20.6
69.07063	14.4
69.70393	7.3
69.70806	10.5
71.47912	2.3
73.02923	2.4
78.73947	2.3
79.05499	13.2
81.03419	7.4
81.07057	32.5
83.04984	3.6
83.08620	6.1
85.02898	42.5
87.04486	2.5
91.05473	21.4
93.07044	35.3
95.04978	4.2
95.08609	48.4
97.02904	17.5
97.06536	3.9
97.10174	2.4
99.04463	3.1
105.07019	32.2
107.08590	54.1
107.09272	3.6
107.17911	2.1
109.02892	5.7
109.10152	27.7
117.07032	6.8
118.60689	2.3
119.08580	72.6
121.10130	37.1
121.10908	3.6
123.11684	12.3
127.03951	10.4
128.06262	4.9
129.07033	6.7
131.08554	24.5
133.10126	34.7
133.11075	3.5
135.11688	28.5
137.05972	3.0
142.07797	6.6
143.08554	23.2
144.09389	3.4
145.04948	4.6
145.10114	46.2
147.11696	24.6
149.09644	3.2
149.13310	11.4
151.07544	3.8
155.08606	9.6
156.09363	4.3
157.10132	26.2
158.10881	4.2
159.08138	3.4
159.11682	27.7
161.13242	15.5
163.07558	10.2
163.14833	8.7
165.12790	2.7
167.07065	4.1
167.08534	4.4
168.09357	6.1
169.10149	20.7
170.10918	4.0
170.42894	2.3
171.11710	20.6
173.13226	21.2
175.07634	3.2
175.14816	19.4
177.09056	3.8
177.16417	13.6
181.10184	9.0
182.10994	6.1
183.11714	31.3
184.12492	4.3
185.13266	22.2
187.14798	19.8
189.09230	2.6
189.16364	19.7
191.18013	5.1
195.11710	13.8
196.12482	3.0
197.13258	21.1
199.14812	28.8
201.16389	21.6
203.10715	3.7
203.18057	7.0
205.19597	3.6
207.11734	3.3
209.13304	9.2
211.14819	21.9
213.16446	10.9
215.17966	5.6
221.13214	2.8
223.14902	9.1
225.16339	13.8
227.18013	7.6
229.12292	8.4
231.13847	6.0
235.14871	3.2
237.16425	5.5
239.18051	8.2
243.13913	5.7
245.15314	11.7
249.16573	5.7
251.17986	20.5
253.19568	18.3
257.15332	21.1
263.18103	4.3
265.19626	8.4
267.21219	3.9
271.17053	5.8
277.19489	3.2
285.18542	5.5
297.18549	12.4
298.19141	2.7
299.20108	6.5
309.18634	3.2
311.20111	9.1
331.24435	2.8
337.21722	3.6
345.25760	3.7
349.21594	3.3
351.23413	3.0
363.23050	2.5
377.24994	3.7
387.30579	9.6
389.32318	10.2
405.31522	13.1
433.30984	92.6
451.32047	51.4
456.95709	2.7
567.36011	3.5
613.27319	4.8
613.37457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64513	1.3
56.96563	30.7
61.97057	1.3
67.05502	2.4
69.82626	8.1
71.95259	3.6
79.05487	3.1
81.07045	4.2
84.96030	5.5
91.05457	2.2
93.07042	2.5
95.04918	1.5
95.08595	3.0
98.97583	78.8
105.07014	3.4
107.08587	3.4
109.10164	1.7
109.48486	1.3
110.29584	1.1
110.97561	6.8
111.08015	1.3
112.99140	32.2
115.09628	1.5
116.98626	34.7
119.08564	3.2
121.10133	1.4
124.99136	2.8
128.98596	8.0
130.99168	2.7
131.00163	44.7
133.10162	2.6
134.99638	7.8
135.11653	1.8
140.00183	3.0
140.98624	3.4
143.00159	8.7
145.10043	2.2
146.99651	2.7
149.01236	26.3
154.01733	3.9
157.10126	1.9
158.99663	34.8
161.01241	8.8
167.02266	5.0
170.99655	3.7
172.02818	2.9
173.01225	7.5
177.00714	33.0
185.01221	5.0
189.00673	4.0
191.02245	7.6
195.01820	2.8
199.02794	12.9
200.02306	6.1
203.02232	5.6
209.01222	2.9
215.02237	2.6
217.03795	3.5
219.01781	8.6
227.02242	2.5
233.03279	2.5
237.02818	5.1
244.72690	1.3
260.04501	1.5
275.04361	19.4
293.02057	2.2
293.05420	53.8
311.06485	9.0
316.07068	5.9
317.17877	100.0
334.07959	2.4
335.18948	30.0
358.20468	10.7
377.20020	10.6
391.21552	4.0
403.21542	3.4
497.23901	3.1
553.26837	54.4
613.39777	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	612.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01869	3.6
55.05514	15.4
57.03432	8.8
57.07072	4.3
65.03952	3.4
67.05161	3.8
67.05508	53.6
68.80484	2.3
69.07067	17.9
71.04978	2.9
71.08610	2.3
79.05497	38.6
80.05833	4.3
81.03432	17.8
81.07057	51.1
82.07393	8.1
83.08627	12.1
85.06575	3.0
85.10128	2.9
91.05466	32.4
92.05856	3.5
93.07041	43.7
94.07404	5.7
95.04986	9.5
95.08615	44.3
96.05318	2.1
96.08960	4.2
97.06538	3.8
97.10180	4.5
105.07033	30.4
106.07368	5.0
107.08598	24.4
108.08964	5.7
109.06506	2.8
109.10152	14.5
110.10622	1.9
113.67941	2.4
117.07027	13.5
119.08588	25.5
120.08849	4.5
121.10146	18.0
122.10429	4.5
123.11669	3.1
128.06155	2.7
129.07034	5.4
130.07373	2.5
131.08583	20.0
132.08943	6.2
133.10150	17.3
134.10535	5.0
135.11685	11.5
136.12038	3.5
142.07782	3.0
143.08592	7.8
144.08939	2.4
145.10126	17.1
146.10512	4.6
147.11702	14.7
148.12083	6.1
149.13275	6.8
155.08537	5.8
156.09233	2.7
157.10149	9.9
158.10512	4.5
159.11636	13.5
160.12048	4.9
161.13237	9.8
162.13571	2.3
163.14778	3.1
169.10155	3.5
171.11711	9.5
172.12085	3.8
173.13312	9.2
175.11256	2.9
175.14886	4.8
177.12869	2.6
183.11722	3.4
185.13254	6.4
186.13733	2.1
187.14867	6.0
193.12215	2.7
197.13251	2.1
198.13649	2.3
199.14827	2.9
200.15331	4.1
207.17688	2.3
227.12788	2.7
241.19638	4.0
250.35062	1.9
258.19406	3.5
259.20654	9.1
260.21024	8.2
261.22049	5.5
267.15909	18.7
299.23859	2.3
333.24332	3.8
334.24811	6.1
335.25818	27.1
336.26242	10.6
520.42621	5.9
527.37372	10.2
538.43915	2.7
542.39172	2.6
545.38184	3.2
594.46179	11.2
612.28070	9.4
612.47101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
53.03942	1.2
54.62392	0.7
55.01868	3.3
55.05500	2.1
62.01592	0.8
65.03938	5.4
65.77569	0.7
66.04712	0.7
67.05499	4.3
69.03414	2.3
69.07061	2.7
71.01363	2.1
71.50860	1.5
73.02883	0.7
76.73497	0.8
77.03933	0.9
79.05490	5.9
81.03429	3.7
81.07062	8.1
82.04186	1.0
83.04936	0.8
83.08638	0.9
85.02923	5.0
85.06500	1.0
91.05471	5.6
93.03388	1.8
93.07053	5.0
94.04182	1.5
95.04958	4.5
95.08600	6.6
97.02901	1.5
97.06532	2.3
99.08009	0.8
100.35690	0.7
102.04723	0.8
103.05468	25.2
105.03396	4.2
105.04456	0.9
105.07038	5.8
107.04961	6.5
107.08593	4.3
108.02109	2.1
109.02897	1.2
109.06500	4.3
109.10172	3.6
110.03655	1.2
111.04414	2.4
115.05461	5.7
117.03366	0.9
117.07030	5.2
118.04196	3.6
119.04948	2.6
119.08576	4.9
120.05724	1.1
121.06499	1.8
121.10127	3.4
122.03635	5.1
123.04414	4.3
123.11704	1.8
125.06001	2.9
128.06265	1.0
129.06989	2.1
130.04097	1.0
131.04930	30.4
131.05931	1.6
131.08560	3.5
132.01895	0.9
132.05760	1.2
133.02887	4.1
133.06500	6.2
133.10150	3.4
135.04420	1.6
135.08035	2.8
135.11703	2.8
137.05977	65.4
137.13268	1.1
139.07579	1.6
141.05435	1.7
142.02620	1.8
143.04909	1.4
143.08543	1.1
144.05650	0.8
145.06471	3.2
145.10139	1.9
146.03584	1.4
147.04419	1.8
147.11668	2.5
148.05194	10.4
149.06013	3.3
149.13275	2.7
151.03912	78.9
151.05006	6.4
151.07532	2.1
153.05489	6.5
155.07033	2.6
157.06474	1.9
157.10150	1.3
159.08032	1.4
159.11694	1.7
160.05194	1.9
161.05983	4.4
161.09637	1.0
163.03902	1.7
163.07536	22.7
163.11147	0.9
163.14764	0.9
165.05482	7.0
165.09128	1.7
166.06221	0.9
167.07037	13.2
171.06606	0.9
171.11661	1.9
172.05203	0.7
173.06001	3.8
173.13251	1.5
174.06764	1.1
175.03938	0.8
175.07567	6.0
175.14859	1.7
176.04678	2.5
177.05467	4.8
177.16364	1.8
178.06352	1.3
179.07008	1.7
180.07855	2.6
181.04958	57.0
183.11667	1.4
185.13310	1.5
187.07555	2.8
187.14832	2.1
189.05399	1.3
189.09164	1.5
189.16360	2.4
191.07033	100.0
192.07686	0.8
193.04936	5.1
193.08635	2.6
195.06543	1.0
199.07655	1.0
199.14867	1.4
201.05450	1.4
201.16379	1.3
203.07033	3.5
203.17944	1.5
205.06615	1.5
205.08603	4.1
207.06436	4.8
207.10158	1.6
208.07234	5.4
209.08127	5.5
213.16389	1.5
215.06946	1.2
215.18060	1.5
217.08568	2.3
219.10187	2.2
222.06653	1.1
223.09662	1.1
225.07550	11.2
226.08411	2.4
231.06369	1.5
233.08105	2.6
234.06744	1.1
235.07596	1.9
235.09692	3.8
237.09113	2.1
249.09106	1.7
251.06850	1.1
259.09595	2.2
263.09158	9.5
265.08679	1.9
267.10150	1.3
277.08441	1.8
291.10083	0.9
293.07993	1.0
295.09479	1.9
297.11377	1.3
299.09195	0.8
309.11255	1.4
325.10730	2.2
327.12308	3.0
329.13815	2.2
337.10471	1.6
341.13989	1.3
351.12262	1.4
355.11774	9.0
357.13181	2.8
359.14948	1.4
369.13196	2.1
387.14389	17.9
415.31671	1.1
433.31439	1.5
567.36389	1.5
613.30188	0.9
613.36572	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24730	0.8
53.03934	2.5
55.01863	1.6
55.05512	20.4
57.03440	5.8
57.07068	4.1
65.03945	2.1
67.05505	50.6
69.07066	17.8
71.04977	1.5
71.08642	1.8
71.28355	1.4
76.44660	1.0
77.03944	1.4
79.05493	35.8
81.07055	47.1
83.04975	1.3
83.08620	9.5
85.06544	2.5
89.18591	0.9
91.05478	31.1
93.07045	38.4
95.04969	3.1
95.08607	37.9
96.59824	0.9
97.06533	3.7
97.10145	4.4
97.15852	0.9
97.74725	0.9
99.08089	2.6
105.07028	35.8
107.08601	21.8
108.32697	0.9
109.06539	1.5
109.10154	15.2
111.08099	1.9
115.05511	1.8
117.07012	12.9
119.08582	30.3
121.10145	17.9
123.08115	1.6
123.11668	5.2
125.09656	1.0
128.06227	2.2
129.07025	10.0
130.07808	1.5
130.93474	0.9
131.08569	23.2
131.09506	1.6
133.10136	22.8
135.11694	11.2
137.09615	1.0
137.13310	1.9
139.11163	1.1
141.07016	2.5
142.07808	2.1
143.08580	13.4
144.09320	1.5
145.10121	24.6
147.11691	19.2
149.13271	8.1
151.11224	1.4
155.06216	0.9
155.08528	7.1
156.09398	1.1
157.10121	12.2
159.11699	16.3
161.09601	0.9
161.13264	14.1
163.14825	3.5
167.08603	1.6
169.10146	6.4
171.11684	12.5
171.53125	0.8
173.13263	13.7
175.14815	5.7
177.12544	1.0
177.16432	1.1
181.10205	2.8
183.11671	7.2
185.13252	10.5
187.14816	6.0
189.16449	1.0
195.11723	2.3
197.13278	6.0
199.14830	7.5
201.16409	3.6
203.18018	1.0
209.13297	2.4
211.14902	3.8
213.16492	5.1
215.17957	2.5
217.19530	1.2
223.14740	1.4
225.16452	2.7
227.18022	3.4
229.19598	2.0
231.21068	1.9
239.17995	2.3
241.19630	8.1
243.21204	1.9
253.19754	1.7
257.19083	4.6
259.20587	18.5
261.22220	4.6
263.24112	1.1
265.19510	1.1
275.20068	1.3
277.21799	1.2
285.21991	1.0
297.22150	1.6
299.23630	1.1
311.23917	1.1
313.25275	1.1
315.23132	1.7
333.24265	10.0
335.25827	16.2
339.26743	1.5
353.28293	1.2
435.32599	0.9
437.34149	2.5
449.34045	1.0
489.35947	1.8
501.35422	1.5
519.42059	7.0
527.38171	1.5
529.38916	1.1
537.43085	3.2
541.38977	2.7
575.45013	1.0
593.45697	9.4
611.46704	100.0
612.47192	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01869	2.9
55.05506	15.9
57.03427	4.6
57.07064	2.9
63.15009	0.9
65.03938	1.2
67.05505	34.6
69.07069	15.4
69.57935	7.1
71.04970	1.7
71.08639	2.6
79.05494	22.0
81.06583	1.4
81.07054	29.1
83.04968	1.5
83.08623	9.0
85.06553	2.7
91.05473	21.1
93.07044	24.1
95.04975	1.8
95.08607	29.9
97.06527	2.9
97.10170	3.8
98.20800	2.4
99.08090	1.8
105.07023	20.0
107.08591	14.9
109.06522	2.4
109.10161	11.8
111.08103	2.4
115.05446	1.5
117.07024	12.0
119.08581	16.0
120.53413	1.0
121.10143	11.5
123.08067	1.8
123.11692	3.4
125.09608	1.1
128.06223	3.5
129.07019	10.4
131.08569	21.9
133.10103	14.1
135.11717	6.0
141.07005	3.5
142.07831	2.4
143.08536	14.0
143.09489	1.0
145.10115	18.4
147.11710	8.0
149.13269	2.3
154.07800	1.0
155.08551	9.2
156.09415	1.6
157.10143	14.4
159.11687	12.1
161.13284	4.0
163.11240	1.2
163.14845	1.7
167.08606	2.7
169.10085	8.8
171.11699	11.2
173.13278	7.8
175.14880	2.5
177.16432	1.1
179.08678	1.2
179.14371	1.3
181.10170	3.9
183.11678	11.0
185.13216	7.4
186.13979	1.0
187.14772	6.2
189.16461	2.2
195.11786	4.0
197.13303	5.4
199.14882	8.0
201.16432	3.4
203.18024	1.3
207.11763	1.2
209.13335	3.0
211.14839	3.8
213.16412	4.7
215.18016	2.5
221.13348	2.1
223.14876	2.9
225.16518	2.8
227.18042	3.4
229.19566	2.2
235.14845	1.6
237.16441	1.5
239.17976	2.7
241.19666	2.3
243.21071	1.3
251.17812	1.3
255.21193	1.5
257.19247	1.9
259.20834	1.5
263.18051	1.1
265.19785	1.2
269.22705	1.8
275.20084	2.8
281.22717	1.6
313.25272	1.1
339.26797	1.4
353.28616	2.1
395.29446	1.0
411.33029	1.3
449.34451	1.4
501.41180	1.4
513.35266	1.7
519.41962	9.0
537.43274	5.6
541.39996	1.1
593.45673	10.1
611.46832	100.0
612.47235	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40429	1.2
52.41354	1.2
53.03939	4.9
55.01855	2.4
55.05510	21.5
56.13379	1.2
57.03427	6.2
57.07081	3.5
58.08802	1.2
65.03931	1.7
67.05505	51.4
69.07064	20.4
70.84789	1.7
70.85135	2.8
71.04978	1.9
71.08624	2.0
73.97654	1.2
77.03926	1.4
79.05493	42.8
81.01583	1.2
81.07057	54.4
83.04980	1.4
83.08617	10.1
83.18939	1.4
85.06536	2.3
90.18564	1.2
91.05477	38.6
93.07043	46.1
93.89571	1.2
95.04955	5.2
95.08609	45.6
95.09229	2.5
97.06517	2.6
97.10184	5.0
99.08121	2.4
101.05972	1.2
103.05450	2.1
105.04522	1.3
105.06368	2.7
105.07037	39.4
107.08601	28.4
109.10151	22.7
110.33565	1.4
115.05499	2.4
117.07022	17.7
119.08575	34.7
121.10149	21.9
123.11705	5.2
125.09682	1.4
128.06247	2.3
129.06990	11.2
131.08568	29.6
131.09499	2.4
133.10123	27.5
135.11705	15.8
137.13297	3.4
141.06973	3.0
142.07771	3.4
143.08559	13.8
144.09196	1.6
145.10112	26.6
147.11682	26.4
149.09666	1.5
149.13219	7.8
155.08525	6.3
156.09343	1.7
157.10141	16.2
159.11702	21.8
161.13234	17.5
163.11246	1.9
163.14851	3.3
165.12868	1.7
167.08578	1.9
169.10136	7.0
171.11673	13.9
173.13243	17.5
175.14841	8.2
177.12840	1.5
181.10147	3.9
183.11766	6.5
185.13197	11.0
187.14798	7.0
189.16434	3.2
195.11748	2.1
197.13211	6.4
199.14799	7.6
201.16464	5.6
209.13278	2.4
211.14848	3.3
213.16397	4.5
215.18010	1.6
223.14867	2.3
225.16579	2.5
227.18056	2.4
229.19487	1.6
239.17955	2.6
241.19572	9.7
243.21150	2.2
247.20915	1.5
257.18976	6.5
259.20551	21.0
261.22177	4.3
273.21643	1.3
275.20047	1.6
315.23254	2.8
325.25156	2.0
327.27115	1.5
331.22638	2.1
333.24203	10.2
335.25763	20.5
341.24789	1.6
353.28329	2.8
455.97845	1.2
519.42053	8.8
537.43176	3.5
583.43988	1.4
593.45551	9.0
611.46704	100.0
612.46747	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	611.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96512	9.6
67.67432	0.5
69.66857	3.1
69.78007	0.5
72.95998	1.3
73.93540	0.6
79.05457	0.8
81.07014	0.8
81.95573	0.6
83.48191	0.6
85.02861	0.6
93.06998	0.8
97.96800	0.7
98.21436	1.3
98.97562	0.8
105.06949	1.0
107.08560	0.8
115.00645	0.6
119.08529	1.3
137.02682	0.6
148.37825	0.6
164.33940	0.5
171.03238	0.8
173.04805	1.1
185.04774	0.8
201.07928	0.7
213.08063	0.8
223.09956	0.8
227.09358	0.8
235.21014	0.6
237.11682	0.8
241.11040	1.4
243.12674	0.6
244.90718	0.6
247.13731	1.1
251.13084	3.7
263.13104	1.2
269.14240	25.4
269.74170	0.6
274.16580	0.6
277.14645	4.9
279.16296	2.5
281.14221	4.7
287.15308	15.1
289.14746	1.6
292.15833	1.4
293.14447	0.8
295.15808	23.9
297.17444	1.5
299.15112	1.0
303.04977	1.3
307.15771	22.1
310.16934	1.1
313.16833	8.0
318.17465	1.8
325.16855	60.0
343.17929	100.0
344.18484	0.8
348.18365	4.3
361.18973	56.7
362.19012	0.7
366.19473	10.1
375.20651	0.8
384.20572	6.7
407.22162	0.7
587.90363	0.6
599.00995	0.8
611.38361	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03938	4.1
55.01857	2.3
55.05512	19.8
55.10793	0.8
57.03440	6.3
57.07067	4.0
57.62192	0.9
60.31866	0.8
65.03934	2.7
67.05507	50.5
67.05869	2.4
69.07066	15.5
69.79171	2.0
69.79573	5.7
71.04987	2.5
71.08640	2.3
71.75056	1.1
77.03896	1.6
79.05495	35.4
81.07058	51.7
82.07349	1.0
83.04973	2.2
83.08623	9.7
85.06541	2.5
89.06002	1.0
91.05476	32.8
93.07046	40.3
95.04966	3.8
95.08611	43.4
97.06554	2.7
97.10170	5.3
99.04467	0.9
99.08091	2.1
105.04536	1.5
105.07035	37.4
107.08592	25.1
109.06528	1.8
109.10160	14.7
111.08074	1.9
115.05466	1.6
117.07017	16.2
119.06075	1.0
119.08588	29.8
121.10142	17.8
123.08067	1.4
123.11729	5.7
128.06247	2.1
129.07004	9.2
129.46071	1.0
130.07811	1.9
131.08575	25.3
133.10133	24.0
134.63292	1.0
135.08043	1.4
135.11699	16.9
137.13271	1.8
141.07022	2.8
142.07813	2.4
143.08571	14.6
144.09329	1.4
145.10127	25.3
147.11685	19.6
149.09669	1.3
149.13277	7.4
151.11209	1.5
155.08569	6.1
157.10139	12.7
159.11691	20.3
161.13255	13.1
163.14845	3.2
167.08524	1.4
169.10124	7.9
170.10910	0.9
171.11671	13.4
173.13255	13.4
175.14771	7.4
177.12767	1.1
177.16550	1.2
181.10115	2.5
182.10912	1.0
183.11702	7.3
185.13223	10.0
187.14832	5.8
189.16385	2.3
193.10175	1.4
195.11690	3.2
197.13246	5.7
199.14838	7.1
201.16434	3.5
209.13368	2.8
211.14894	4.2
213.16493	5.4
215.17982	3.1
223.14877	2.9
225.16461	2.9
227.17982	2.2
229.19353	1.5
231.17487	1.1
231.21109	1.4
235.14780	1.2
239.18002	1.9
241.19598	9.4
243.21132	1.8
251.17961	1.1
255.17419	1.0
257.19086	4.5
259.20587	16.5
261.22064	5.1
267.21436	1.0
275.20105	1.8
277.21713	1.6
278.68530	1.1
285.21600	1.0
289.25635	1.0
301.25198	1.1
315.23071	1.3
325.25229	2.0
331.22629	1.2
333.24182	10.2
335.25824	19.7
336.26401	1.0
337.27740	2.7
341.24664	1.4
353.28317	1.3
460.77234	1.0
463.36252	0.9
501.35263	1.4
503.37360	1.3
519.41949	6.8
529.38983	1.7
537.43219	3.5
541.38788	2.0
593.45575	8.8
611.46729	100.0
612.47021	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	611.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43041	1.2
69.82684	2.4
69.83083	4.3
74.80443	1.4
119.35291	1.3
162.95604	1.4
268.98236	100.0
350.49826	1.5
354.42676	1.3
381.07849	4.9
459.36725	1.4
472.92532	1.5
498.24881	2.0
533.09534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.4
55.01876	0.7
64.34715	0.5
65.03922	0.7
68.99802	1.2
71.04991	0.7
71.56344	0.7
79.05494	0.9
81.03440	0.6
81.07059	0.7
85.02894	1.2
89.06036	0.5
90.30254	0.4
91.05455	0.7
94.04192	1.6
95.04959	0.8
97.02892	1.2
105.03420	1.0
107.04952	0.8
109.06525	1.8
111.04469	1.1
122.03653	3.2
123.04438	9.1
124.01590	1.2
125.05978	0.5
127.03830	0.5
133.02861	6.0
137.05980	93.0
141.05452	1.8
151.03940	0.6
152.01057	1.8
153.05486	1.0
161.02339	12.9
165.05487	1.7
166.02623	1.0
167.03404	100.0
170.02142	0.9
177.05273	0.5
178.02609	0.5
181.04950	2.0
185.04398	1.0
193.04991	3.6
199.07521	0.6
209.04340	0.8
215.07173	0.6
225.68944	0.4
227.07074	3.0
240.04170	0.7
240.86176	0.5
255.06566	5.0
256.07108	0.8
257.04471	0.7
259.09665	22.4
271.06012	1.1
272.06821	3.8
273.07495	0.7
283.06024	0.7
286.08359	2.0
287.09137	24.1
288.09402	0.5
303.04794	1.1
315.08600	12.1
317.06268	0.6
333.09683	43.5
334.09698	0.5
370.13510	0.4
445.13525	3.5
611.20477	1.3
613.56940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	1.8
55.05511	13.8
57.03431	3.8
57.07077	2.2
57.17903	1.0
65.03939	1.5
67.05508	27.2
69.07077	14.3
70.26579	2.0
70.26974	1.8
71.04992	1.9
71.08651	1.0
73.93726	0.9
79.05492	15.9
80.38131	0.9
81.07059	26.5
81.07790	1.0
83.05009	1.3
83.08640	7.8
85.06552	1.2
91.05482	15.4
93.07050	17.5
95.04977	2.9
95.08610	23.2
97.06574	1.5
97.10188	3.8
99.08129	1.3
101.45169	1.1
105.07032	15.3
107.08583	11.8
109.06528	2.0
109.10172	8.8
115.05481	1.8
117.07015	11.4
117.53049	1.0
119.08598	13.6
120.02585	1.1
121.10134	7.7
123.08069	1.4
123.11729	2.4
125.09609	1.2
128.06252	2.9
129.07005	12.1
131.08560	13.9
133.10126	10.1
135.11716	6.3
137.13280	1.9
141.07013	5.9
142.07805	3.1
143.08572	17.3
144.09270	1.0
145.10132	15.7
147.11696	7.1
149.13319	1.8
153.07002	1.7
155.08560	12.2
156.09370	2.1
157.10127	15.2
157.11290	1.4
159.11705	10.7
161.13335	4.5
163.14980	1.2
165.07010	1.5
167.08557	5.9
168.09380	1.7
169.10121	18.2
169.11322	1.5
171.11696	13.9
173.13260	4.8
175.14832	1.8
179.08627	2.6
181.10120	10.0
182.10944	1.7
183.11707	13.7
185.13222	8.1
187.14867	3.4
191.08566	1.1
193.10185	3.2
195.11688	10.5
196.12439	1.1
197.13258	12.2
199.14859	6.4
201.16469	1.9
203.18022	2.0
205.10222	1.7
207.11726	4.2
209.13245	8.0
211.14815	9.2
213.16525	3.1
221.13338	3.2
223.14883	5.0
225.16315	7.1
227.18004	4.1
235.14841	2.3
237.16400	5.8
239.18118	3.1
247.14897	1.3
249.16426	1.4
251.17981	2.8
253.19572	1.1
257.19382	1.9
263.18027	1.9
265.19604	2.0
267.21289	1.4
281.22485	1.1
283.20578	1.5
295.20737	1.3
295.24265	1.1
297.22397	1.9
325.25342	1.6
337.25284	2.3
349.25452	2.5
351.27048	2.0
363.27243	1.9
365.28616	1.6
377.28564	1.4
405.31958	2.1
435.32718	2.0
447.32452	1.5
499.40265	2.1
517.40497	18.4
535.41821	6.7
539.37671	1.5
553.42279	1.6
555.41443	2.0
573.42877	2.0
591.44061	14.8
609.45245	100.0
610.45526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.01582	0.7
51.02359	0.7
53.03940	2.3
54.97733	0.6
55.01865	1.9
55.05512	12.8
57.03442	3.5
57.07080	1.3
65.03949	1.4
67.05161	1.3
67.05508	24.0
69.07068	11.4
71.04978	0.8
71.08625	0.8
73.06565	0.7
79.05491	16.5
80.93690	0.6
81.03392	0.8
81.07058	25.6
83.04990	1.3
83.08624	6.0
85.06530	1.7
91.05476	15.0
91.05997	1.2
93.07047	18.1
95.04967	1.3
95.08608	22.4
95.09222	1.1
97.06531	2.3
97.10155	4.0
99.08115	0.8
103.05490	1.2
105.07035	15.8
107.08597	12.2
109.06548	1.2
109.10165	9.9
111.08080	1.0
115.05476	1.0
117.07030	8.2
119.08583	12.6
121.10162	8.6
123.08015	1.2
123.11709	2.5
125.09678	1.6
128.06265	3.3
129.07014	11.6
130.07794	1.3
131.08571	13.8
132.27158	0.6
133.10136	10.0
135.11703	4.9
137.13358	1.0
141.06961	5.0
142.07797	3.2
143.08572	11.8
144.09357	1.4
145.10129	13.2
147.11688	6.5
149.13261	2.9
153.07004	1.7
154.07777	1.5
155.08571	11.2
156.09375	2.1
157.10129	14.1
159.11674	9.1
161.13289	3.3
163.14825	1.1
165.06950	0.8
166.07813	1.0
167.08629	4.8
168.09401	1.7
169.10129	14.9
170.10931	1.0
171.11703	12.1
173.13272	5.5
175.14859	2.6
177.12776	1.0
177.16360	0.8
178.07700	0.7
179.08578	1.8
180.09424	1.2
181.10104	8.1
182.10896	1.8
183.11702	15.3
185.13249	10.3
187.14839	4.6
189.16423	0.8
191.08601	0.7
193.10168	3.6
194.10884	0.9
195.11696	9.2
196.12662	1.0
197.13263	11.2
198.13876	0.7
199.14882	5.9
201.16510	1.3
205.10242	1.0
207.11700	3.2
209.13251	8.5
211.14856	7.8
213.16444	4.1
215.18005	1.2
217.10170	0.7
219.11713	1.0
221.13295	2.7
223.14819	5.7
225.16379	4.7
227.17973	2.8
233.13420	0.9
233.19133	0.7
235.14894	2.1
237.16435	4.8
239.17973	2.6
241.19722	1.4
247.14679	0.9
247.48192	0.7
249.16428	1.5
251.17990	2.8
253.19646	0.9
257.19052	1.0
263.17966	1.6
265.19632	1.1
267.17508	0.9
267.21228	0.9
275.20279	1.4
277.19415	0.9
279.21100	1.1
281.18976	0.7
291.20935	1.1
297.22028	0.7
309.22070	1.2
311.23694	1.2
313.21594	0.8
319.24185	0.9
321.22183	1.0
321.90237	0.8
323.20099	0.7
323.23712	0.9
325.25333	1.1
327.23120	1.1
333.22147	0.8
335.23627	0.7
337.25201	2.1
349.25299	1.5
351.26859	1.6
365.24323	1.1
365.28506	1.4
367.26236	0.7
369.28101	1.2
379.30200	1.0
381.28049	0.8
391.30130	1.0
393.31564	1.0
403.29852	0.7
405.31583	1.0
421.30804	1.1
425.30273	0.9
433.30508	0.9
435.32538	0.9
447.32666	1.7
450.94485	0.7
461.33704	1.1
497.36707	0.7
499.39615	2.3
517.40405	13.0
521.35999	0.9
525.36090	0.6
527.37097	0.8
529.16504	0.7
535.41571	5.5
539.37616	1.7
553.41431	0.9
573.43005	1.4
591.44153	14.0
609.45148	100.0
610.45422	2.5
613.22473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80539	2.0
53.03943	13.5
55.01868	6.1
55.05508	25.1
56.96572	3.0
57.03431	12.6
65.03922	3.0
67.05161	3.7
67.05506	55.0
69.03431	21.2
69.07066	17.8
71.01345	3.8
71.05005	12.2
71.05338	2.4
71.61745	4.0
73.02924	2.2
77.03954	2.1
79.05495	50.8
81.03416	100.0
81.07063	41.1
82.16026	2.1
83.04977	21.8
83.08620	16.7
85.02911	21.1
85.06533	3.5
86.63737	2.9
91.05474	38.2
93.07045	49.2
95.04981	22.6
95.08607	16.2
97.02888	20.9
97.06536	13.5
97.10185	8.1
99.04469	6.6
99.08130	2.8
105.04526	3.7
105.07036	22.0
107.04964	9.0
107.08592	29.7
109.02881	21.2
109.06538	6.6
109.10149	11.4
111.04446	15.5
111.08067	11.9
117.07041	7.3
119.08575	21.8
121.06538	3.2
121.10168	15.7
123.04433	2.8
123.08108	3.6
123.11685	2.5
125.09640	5.3
127.03931	12.4
129.06999	11.3
131.08548	11.5
133.10132	10.9
135.08102	2.7
135.11702	38.5
137.09644	4.2
140.86598	2.6
143.08617	3.3
145.10132	13.5
147.08043	2.7
147.11694	11.2
149.09666	6.7
151.07567	3.0
153.12773	3.8
155.08557	3.3
157.10165	9.7
159.11728	3.0
163.11176	10.9
163.87711	2.0
165.12735	2.4
167.06989	2.3
173.04524	2.1
173.09703	3.1
175.11232	8.7
181.12262	13.4
183.06586	2.4
186.07471	2.4
191.10658	6.9
193.12248	39.0
199.11307	2.5
199.13164	2.4
203.06578	2.1
203.14439	2.6
211.13297	50.7
211.15227	3.6
218.79117	2.2
227.12920	7.0
249.14969	2.6
255.15768	12.0
267.16074	7.0
285.17154	2.6
325.16437	3.7
337.16428	4.2
355.17706	10.8
363.18292	2.6
381.19208	4.5
393.19513	2.5
411.20236	5.3
421.25720	2.6
447.27368	10.9
465.28381	13.1
479.30209	2.5
591.31976	5.5
609.32727	86.3
609.42249	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	609.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60312	0.7
69.03420	0.9
71.61263	0.9
71.61640	0.8
85.02895	1.1
85.93443	0.6
87.04443	0.8
95.01081	2.5
96.01846	0.7
97.02849	0.9
97.72601	0.7
98.97571	1.1
105.06950	0.6
109.02803	0.9
113.02145	0.9
137.05963	0.8
140.04712	1.7
167.07068	1.4
185.04271	2.1
189.05293	2.1
200.25757	0.7
201.03734	0.9
203.05278	8.4
203.07248	1.2
205.04678	9.6
213.24071	1.0
230.06973	0.7
250.08101	7.4
251.08850	1.2
393.82083	0.7
399.14185	3.9
429.15106	1.2
513.85919	0.8
536.54260	0.8
609.21552	100.0
610.22424	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03952	1.4
55.05513	3.6
57.03432	1.3
66.75461	0.4
67.05509	9.9
69.07070	4.5
69.24239	4.6
71.04983	0.5
72.65617	0.5
79.05490	8.9
81.07061	10.1
83.05000	0.9
83.08612	1.8
91.05479	7.9
93.07049	7.9
95.04977	1.2
95.08613	7.0
97.06548	1.7
97.10184	0.5
98.21512	1.1
105.07030	6.2
107.04970	1.1
107.08598	5.3
109.06503	0.9
109.10174	2.6
111.08069	0.5
115.05479	0.5
117.07011	3.2
119.08586	4.6
121.10160	2.6
123.08099	0.5
125.09646	0.6
129.07031	1.8
130.07758	0.4
131.08572	5.1
133.10133	3.4
135.11685	2.2
137.13248	0.5
142.07890	0.5
143.08548	2.1
145.10117	5.7
147.11673	2.8
149.09668	1.3
149.13213	0.5
155.08588	0.9
157.10101	2.0
159.11682	3.6
161.13310	1.3
163.11205	0.6
167.08601	0.6
169.10158	1.3
171.11674	1.5
173.13303	1.5
183.11749	1.5
185.13306	1.7
187.11072	0.5
187.14865	1.1
197.13309	1.1
199.14804	0.7
219.17459	1.0
224.13033	0.6
229.19579	0.5
239.18025	1.1
257.19135	3.6
261.22134	0.6
275.20074	5.9
331.22693	1.2
335.25824	1.9
360.28436	0.6
377.17725	1.5
378.18253	0.8
389.18250	1.3
390.18744	1.3
391.19138	2.2
392.20306	1.6
400.17078	0.7
401.17618	0.9
403.19565	0.8
404.20676	1.3
405.21057	4.2
406.21445	1.9
407.22226	3.8
413.17688	0.7
414.18185	0.5
415.19427	3.0
416.20087	0.6
417.21210	1.2
418.17404	0.5
419.18250	1.0
419.23035	1.1
420.23425	1.1
421.23871	4.8
422.24741	0.5
427.19229	0.8
428.20105	0.6
429.20990	2.8
430.21936	1.3
431.18234	1.0
431.23248	0.7
432.19229	1.0
433.20230	2.6
435.21777	0.7
442.21835	0.9
443.22595	1.3
444.22989	1.8
445.20822	0.9
446.21051	0.8
447.17313	2.7
448.18719	0.8
452.21857	0.9
457.24490	2.6
458.24899	0.5
459.21909	2.8
460.22592	1.5
461.19244	5.4
462.20151	3.1
463.21411	1.4
465.23209	0.6
472.22809	1.6
473.24869	0.5
474.20230	0.9
475.20914	7.3
476.21893	7.6
477.22668	5.9
478.23718	1.1
484.19125	0.6
485.23544	10.7
486.20197	3.8
487.25305	0.9
488.22253	1.7
489.22946	5.5
493.22598	1.3
494.26794	1.0
497.23376	0.9
499.21292	2.3
500.22180	1.8
501.23398	0.6
502.23541	1.1
503.24460	5.9
504.23792	0.7
507.24017	0.8
511.38132	0.6
513.22888	1.4
515.24390	7.9
517.22375	1.3
517.40698	0.6
521.25977	3.5
531.23950	16.4
532.24536	0.6
535.23651	0.9
541.22510	1.1
548.24274	0.8
549.24811	2.5
550.25745	3.9
559.23376	7.9
577.24585	1.6
591.26013	31.5
609.27051	100.0
609.43738	15.4
610.27393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06150	0.3
62.79431	0.3
64.87203	0.3
69.03403	0.6
69.91768	2.0
70.57057	0.3
81.03447	0.5
83.01102	0.6
91.05487	0.4
95.01108	1.0
98.97585	0.8
113.02132	1.5
137.06000	0.4
139.11287	0.4
167.07030	6.4
173.02492	0.4
185.04228	2.0
189.05202	9.2
201.03653	0.8
202.06142	0.5
203.05252	8.2
205.04500	0.4
235.05849	1.0
250.08128	8.2
251.09010	1.4
328.30417	0.4
384.86411	0.4
399.14023	3.7
399.18109	0.3
417.14038	0.7
429.15268	1.6
457.58844	0.4
609.21527	100.0
610.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34009	0.6
54.94219	0.6
55.05509	0.6
57.07069	0.8
62.19478	0.7
63.52010	0.5
67.05502	2.0
69.07053	1.2
71.08646	1.3
71.62648	1.0
74.90417	0.5
81.07045	2.2
82.30602	0.6
82.92561	0.5
91.05446	1.0
93.07025	1.4
95.08613	2.0
105.07033	1.1
107.08596	1.1
109.10172	0.8
123.14687	0.6
135.11703	0.7
138.82236	0.6
145.10107	0.7
238.53374	0.6
249.42027	0.6
277.21689	0.9
313.27493	1.9
389.17563	1.6
403.19211	3.9
405.20892	2.0
416.20197	1.2
417.21347	3.7
418.21805	3.0
419.22464	3.9
430.22009	0.7
431.18164	7.6
432.19153	1.4
433.24106	8.7
445.19662	8.6
446.20480	3.1
447.21646	4.3
458.20850	1.0
459.21207	3.6
460.22519	11.5
461.23407	13.0
473.23502	2.6
474.24490	1.4
487.24869	2.1
505.22635	2.4
519.27869	1.4
547.27039	44.1
575.26239	1.0
607.29144	100.0
608.29413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11802	1.6
71.59808	2.4
73.63981	1.6
75.12777	1.4
78.97913	1.4
103.16180	1.6
103.99844	1.8
110.89729	1.8
144.82169	1.6
153.31557	1.8
202.30481	1.6
203.03784	1.7
234.99971	5.8
240.98915	3.0
258.99997	32.4
259.99951	2.8
261.03021	1.7
264.98953	2.2
276.34427	1.6
276.98019	3.5
277.01001	19.0
278.01035	2.0
282.99988	96.5
284.00006	8.0
284.99844	2.8
301.01059	100.0
302.01044	8.6
303.00943	6.5
316.95673	7.9
316.98926	2.4
318.98572	2.8
319.01999	4.0
324.02719	2.6
340.95908	2.2
356.93475	2.5
357.97250	2.8
358.96692	9.0
359.96872	2.3
361.00095	2.5
383.00223	2.0
398.94897	7.6
400.97281	5.2
401.01385	5.8
401.06198	2.3
402.01123	3.5
403.01089	2.2
407.00467	4.2
416.95993	4.2
418.99008	2.4
425.01227	35.1
426.01486	2.4
427.01251	2.2
440.95789	5.7
441.98788	1.7
443.02432	63.0
444.02936	3.3
445.02075	2.1
458.96863	5.7
464.96680	2.0
482.96594	2.2
485.00433	2.5
499.98029	2.2
500.98187	20.1
524.98157	7.0
542.99103	13.2
549.01312	42.0
550.01251	2.0
567.02386	51.8
568.02472	3.0
585.00104	3.2
590.98730	2.0
609.00372	41.9
627.01263	15.5
630.65442	2.0
637.92310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
55.05458	0.4
57.07016	0.4
63.38584	0.2
67.05450	0.5
71.08584	0.5
71.46369	0.2
71.46703	0.3
79.05459	0.4
79.81558	0.2
79.96149	0.2
81.06973	0.8
84.58231	0.3
91.05420	0.3
93.06954	0.8
95.08522	0.7
105.06974	0.3
107.08516	0.3
109.10056	0.3
119.08459	0.3
135.11612	0.3
179.14189	0.9
179.15735	0.2
245.99527	0.3
249.93831	0.2
277.21469	0.7
289.55527	0.3
300.14984	0.3
313.27405	0.9
351.24945	0.4
376.17941	0.3
387.16162	0.5
388.16522	0.5
389.17676	1.4
390.18527	0.4
401.17532	0.5
402.18396	1.2
403.19208	2.8
404.19794	0.9
405.20764	1.6
415.19550	0.4
416.20132	0.9
417.16495	1.0
417.21429	3.7
418.21808	2.1
419.22330	3.9
429.16168	0.4
429.21378	0.4
430.17212	1.2
431.18155	7.9
432.18515	1.6
432.23972	0.5
433.24081	8.8
434.24701	1.3
443.18475	0.5
444.18524	0.5
445.19800	8.9
446.20609	4.4
447.21756	4.6
449.23282	0.4
458.21222	0.3
459.21579	5.4
460.22546	11.7
461.23395	12.1
462.20294	0.3
473.23526	3.6
474.24274	1.3
477.23068	1.2
487.25272	1.6
488.25433	0.4
489.22845	0.4
491.24011	0.8
492.25171	1.0
504.25510	0.3
505.21783	3.7
506.26556	0.5
515.24420	0.6
518.22980	0.5
519.24371	1.7
519.26825	1.6
520.24481	0.3
532.24811	0.6
533.25433	0.7
547.27051	31.8
548.27631	1.0
575.26080	0.7
578.25452	0.6
579.29547	0.9
589.48199	0.9
607.29150	100.0
608.29443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
54.74555	3.7
55.01863	12.9
55.05512	32.0
57.03430	6.4
57.07076	47.3
59.68395	3.6
60.02781	3.7
67.00107	3.4
67.05176	5.0
67.05508	62.8
69.03424	4.0
69.07074	33.2
71.08635	37.5
75.31847	3.9
79.05499	49.8
81.07059	85.8
83.04989	5.5
83.08619	23.4
84.95172	4.0
85.06509	4.0
85.10172	19.3
91.05480	42.7
93.07047	42.6
95.04949	10.1
95.08607	58.2
97.06527	15.7
97.10168	17.3
103.24295	4.6
105.07025	48.9
107.04925	17.6
107.08618	35.5
107.89622	4.1
109.06499	12.7
109.10172	31.1
112.81711	4.4
117.06992	13.3
119.08584	33.3
121.06487	3.9
121.10163	19.6
121.27251	3.4
123.08022	5.0
123.11686	12.8
125.09635	8.9
129.06956	5.8
131.08549	16.3
133.10097	22.4
135.08047	9.2
135.11620	6.4
139.11258	3.7
143.08545	4.6
145.10103	21.6
147.11725	22.6
149.09639	27.9
151.11200	4.7
157.10176	4.0
159.11687	9.4
161.13268	6.6
163.11145	6.5
165.12830	6.2
169.10158	6.0
171.11572	5.3
173.13246	8.3
189.11177	4.5
197.13228	4.4
227.12682	6.4
229.19534	5.5
239.23700	6.8
241.14687	3.7
257.18939	13.6
275.17233	8.2
275.20065	100.0
293.21158	11.3
313.27359	64.3
349.23727	33.8
457.27673	4.3
521.47931	3.9
587.46802	38.5
605.39722	16.6
605.47333	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.4
69.07076	0.4
69.30758	2.9
81.07018	0.4
83.01109	0.5
93.07008	0.5
95.01103	1.4
96.01904	0.4
103.05435	0.3
105.06987	0.4
112.01348	0.5
113.02129	1.2
121.10149	0.4
133.06474	0.4
157.04742	0.5
161.06046	0.7
167.03210	0.6
184.05008	0.5
185.04240	3.0
189.05228	2.5
201.03694	0.9
204.07603	0.5
205.08305	0.4
215.06801	0.9
217.08363	1.9
219.06323	2.5
233.07832	1.4
234.08629	14.0
235.09361	0.9
247.09457	0.7
365.12161	1.1
379.13678	4.1
395.13120	4.5
409.14587	0.4
445.18466	1.0
577.22498	1.8
607.23596	100.0
608.23901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78475	5.5
53.03331	6.2
55.05493	21.4
57.03426	15.7
61.02908	6.7
63.77132	5.2
67.05497	25.6
69.03412	27.8
69.07056	25.6
70.51925	20.7
71.04976	16.9
73.02914	35.3
79.05482	17.8
81.03400	15.2
81.07058	49.3
83.04987	13.0
83.08614	15.1
83.80096	5.9
85.02888	18.0
91.05468	23.0
93.07051	46.2
95.04935	9.6
95.08601	69.8
97.02879	7.2
99.04434	18.0
105.07027	53.3
107.08601	59.9
109.10174	42.2
111.08075	7.4
111.61810	5.7
117.05489	9.3
117.06989	10.8
119.08578	82.3
121.10164	45.5
123.11673	15.0
129.05504	7.6
131.08559	29.5
133.10135	63.1
135.11700	20.1
139.50856	6.8
142.07834	6.7
143.08563	9.0
144.82809	8.6
145.04927	11.0
145.10112	57.5
147.11694	41.2
149.13271	36.4
156.09283	6.0
157.10092	24.0
159.11710	44.2
161.13303	37.2
163.06052	5.9
163.14787	11.1
165.09135	22.4
169.10144	6.0
171.11671	14.9
173.13254	36.5
175.14828	47.0
177.16338	33.7
183.11659	13.1
185.13223	22.9
187.14839	36.8
189.16359	51.0
191.17867	12.2
197.13206	9.4
199.14888	27.1
201.16393	100.0
202.13004	7.5
203.14317	8.8
203.17967	17.5
205.15962	14.7
207.17426	23.9
213.16359	25.0
215.17955	21.8
221.15512	7.2
223.14893	6.5
225.16383	7.8
227.17903	10.7
233.18950	13.7
239.17867	10.9
245.15332	8.8
247.16884	26.3
252.29213	6.5
253.19499	6.4
259.16934	11.7
267.21173	9.4
283.24194	6.7
301.14246	6.5
368.17752	6.3
389.31824	12.0
395.29587	11.9
405.31628	11.5
407.33215	31.9
423.32346	9.1
433.31119	31.7
435.32578	46.7
451.31955	7.4
453.33655	31.4
471.34659	13.8
536.28119	6.8
557.37408	10.5
585.30225	7.5
603.29474	7.0
603.38739	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	605.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.5
55.05508	8.7
57.03434	5.2
67.05499	8.4
69.03412	8.3
69.07056	11.2
71.04990	8.1
73.02911	8.8
79.05477	13.3
81.07049	16.3
83.04971	5.5
83.08616	8.0
83.90005	3.8
85.02914	14.5
91.05486	16.2
93.07055	20.7
95.08595	36.8
97.02908	8.8
98.20686	7.6
99.08093	10.9
105.07032	16.4
107.08596	31.2
109.02918	5.0
109.06495	4.1
109.10145	22.8
110.77636	4.7
119.08578	36.0
121.10173	27.1
123.08101	5.2
123.11681	7.9
131.08571	17.4
133.10081	25.2
135.11668	19.5
137.05977	4.6
137.09604	5.1
137.13217	4.7
143.08531	5.4
145.10097	12.0
147.11667	17.9
149.13214	11.2
151.07587	5.9
157.10138	5.8
159.11687	18.1
161.13243	12.0
163.14822	11.1
165.09052	19.0
167.06960	4.9
173.13252	11.4
175.14835	8.0
179.92221	4.6
187.14816	13.0
189.16412	14.5
191.17947	100.0
201.16344	29.4
203.17986	11.0
205.04927	5.3
215.17938	5.3
229.49876	4.2
231.21201	5.3
296.62897	4.0
334.53394	4.5
409.34708	21.9
410.13266	5.6
424.50378	4.6
437.34198	5.3
455.35321	42.6
605.19720	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48630	5.8
55.01876	8.9
55.05512	22.9
57.03432	18.6
65.03930	6.5
67.05509	35.8
69.03439	42.4
69.07057	26.6
69.35070	39.8
69.35475	16.4
71.01353	8.0
71.04982	28.5
73.02902	24.2
79.05491	28.1
79.20596	7.3
81.03415	23.7
81.07059	58.6
82.02927	6.9
83.04983	17.5
83.08615	15.6
85.02901	73.2
91.05474	32.0
93.07049	57.4
95.04957	10.0
95.08605	100.0
97.02883	36.3
97.06567	7.3
98.21457	11.1
99.04449	12.4
105.07030	72.8
107.08601	85.1
109.10160	64.3
111.04446	10.5
111.08092	11.9
115.03933	13.9
117.07048	16.9
119.08578	91.6
121.10146	57.9
123.08092	8.0
123.11714	20.4
127.03885	14.3
129.05479	25.8
131.08563	49.2
133.04938	12.5
133.10123	62.4
135.11711	33.8
137.09705	6.8
138.89389	6.1
142.07796	7.9
143.08557	19.7
145.04964	17.8
145.10158	71.5
147.06558	18.9
147.11690	49.8
149.13258	48.5
157.10141	32.8
159.11687	62.3
161.09576	8.7
161.13260	56.1
163.06096	9.1
163.07527	8.3
163.11145	8.5
163.14803	18.7
164.93610	6.6
165.09149	15.3
169.10161	10.7
171.11722	26.3
173.13220	48.1
175.14848	49.0
177.12790	7.5
177.16396	31.8
183.11696	11.7
185.13287	18.7
187.14789	43.5
189.16388	54.6
191.14314	7.0
191.17987	13.9
196.12367	7.2
199.14796	38.9
199.16592	6.6
201.16380	92.0
203.14297	7.1
203.17964	20.6
205.15919	17.5
207.17427	42.3
211.14833	14.1
213.16368	19.0
215.18114	15.4
217.19637	8.7
219.13760	9.7
219.17471	8.9
227.17934	10.6
243.70192	6.0
245.15419	13.7
247.16936	23.6
249.14935	7.2
273.18350	7.4
289.54431	6.7
347.62823	6.8
387.30475	9.7
389.31808	14.0
395.29349	14.6
405.31607	17.3
407.33066	40.2
409.34937	7.3
423.32443	11.2
433.30884	26.6
435.32587	55.8
451.32306	9.6
453.33713	47.4
471.34915	15.9
603.29932	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	603.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04793	5.9
52.74717	6.2
55.05500	17.5
57.03410	18.2
57.07065	9.8
58.21673	6.0
61.79374	6.6
65.09981	6.6
67.05500	30.7
69.03434	10.3
69.07052	18.7
70.06605	13.6
70.64923	14.7
71.04990	17.5
73.02607	5.1
73.02924	46.0
79.05481	24.1
81.03387	16.1
81.07059	40.7
83.04983	13.2
83.08608	13.5
83.12556	5.9
85.02895	49.7
88.07623	14.8
89.61085	6.9
91.05476	29.0
93.06516	7.5
93.07050	45.6
95.04931	8.4
95.08600	57.6
97.02885	12.9
97.10178	9.6
99.08122	44.1
102.09164	15.8
103.79371	5.4
105.07037	45.7
107.04911	6.9
107.08572	56.3
109.10168	40.0
115.03903	14.4
117.07030	10.7
119.08575	71.1
121.06566	9.9
121.10144	59.2
123.11686	15.1
129.06967	8.4
131.08549	30.5
133.10147	34.1
135.11688	43.2
137.05927	8.9
143.08560	11.7
145.10175	39.3
147.11687	40.3
149.02339	27.5
149.13232	19.2
150.02646	8.1
157.10139	25.5
159.11684	51.5
161.13252	25.2
163.14824	21.8
165.09067	11.3
171.11760	10.4
172.91185	7.1
173.13260	21.2
175.14786	28.1
183.11685	13.7
185.13300	11.8
187.14792	28.2
189.16393	65.4
191.10777	6.8
191.14333	9.5
191.17966	86.3
193.04961	23.0
194.05293	15.5
199.14801	26.0
200.20047	32.2
201.16383	23.2
201.20462	13.6
203.14482	8.4
203.17958	18.5
213.16321	18.2
215.17870	9.6
217.15833	20.0
217.19551	19.1
221.15417	6.1
237.12794	5.9
237.14778	38.2
245.15431	14.5
247.16922	6.7
249.14806	8.5
263.16397	83.0
264.79648	7.1
317.44489	8.6
385.09198	7.5
386.09399	16.9
407.33133	17.5
430.12064	15.8
435.32376	28.3
453.33640	71.2
459.27640	7.4
471.34369	25.6
521.31293	9.3
557.36981	9.6
603.30054	100.0
603.38647	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	603.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.7
57.03424	12.6
61.02919	8.5
67.05505	3.6
69.03430	24.9
71.04995	35.0
71.62265	4.7
73.02917	18.6
75.04487	5.2
79.05473	5.6
81.03391	6.7
81.07060	8.0
83.04975	22.1
85.02418	5.8
85.02908	100.0
85.49725	2.7
91.04004	3.1
91.05460	3.3
93.07031	6.7
95.08594	3.8
95.40001	2.8
97.02885	34.5
99.04484	3.5
103.03911	3.9
105.07062	7.0
107.04974	3.4
107.08601	5.2
109.02863	3.7
109.10153	4.9
109.62813	3.0
111.04459	17.6
115.03912	16.4
117.06998	3.0
119.08572	9.3
121.10134	8.2
121.46030	3.0
127.03917	19.5
129.05484	38.3
133.04945	13.7
133.10135	7.1
136.87639	2.8
137.09633	3.0
145.04982	18.4
145.10115	5.7
147.06508	22.1
159.11723	4.1
163.05980	4.1
165.09146	3.3
167.07001	4.2
187.14897	3.4
203.17856	3.1
207.10269	3.6
223.06000	3.7
225.07510	5.0
228.24648	3.3
241.06990	3.7
243.08691	8.8
258.62250	3.4
259.08258	4.6
279.10648	8.9
309.11734	6.0
403.02084	3.1
453.13770	6.4
453.32724	3.5
603.20050	16.8
603.29871	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	603.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05520	2.5
57.03448	15.0
61.02910	3.8
67.05484	5.9
69.03423	19.8
69.98407	11.8
69.98701	2.0
71.04633	3.1
71.04994	36.1
73.02918	17.5
75.04467	4.7
79.05484	5.5
81.03390	4.2
81.07056	12.8
83.04987	17.6
83.08597	2.7
85.02905	100.0
87.04475	3.7
91.05479	5.7
93.07046	9.6
95.04951	3.8
95.08615	11.2
97.02897	22.5
97.10128	2.5
103.03937	2.6
105.07018	10.8
107.08582	10.2
109.02858	4.4
109.10142	7.5
111.04432	9.7
115.03932	18.0
117.06997	2.6
119.08581	10.8
121.10127	7.0
123.11723	3.4
127.03934	12.3
129.05486	29.5
130.76358	2.7
131.08577	6.7
133.04950	7.6
133.10110	8.9
135.11716	3.8
139.03903	4.8
145.04985	13.3
145.10138	5.9
147.06493	19.7
147.11664	5.1
149.13213	4.6
155.08591	2.9
159.11681	4.6
161.13260	5.5
163.05971	5.7
163.11162	2.7
165.08997	5.4
171.11685	2.6
173.13277	3.4
175.14853	7.2
187.14874	3.9
189.16405	4.1
191.17998	3.6
201.16383	5.9
203.17944	9.9
225.07573	5.5
241.07034	3.6
243.08638	4.9
259.08121	3.1
279.10779	7.7
309.11627	4.6
314.39560	3.2
335.09543	6.1
360.74847	3.0
445.77524	2.4
453.33350	3.6
460.86353	2.6
547.76324	2.7
603.29968	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	603.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01875	5.2
55.05503	5.3
57.03180	2.7
57.03427	11.4
57.07066	2.4
61.02908	4.5
67.05485	6.0
69.03428	14.0
69.07053	4.1
70.95613	5.2
71.04989	21.5
73.02915	14.0
75.04472	3.5
79.05470	6.8
81.03405	6.6
81.07038	9.3
83.04975	14.9
83.08564	3.4
85.02905	100.0
87.04454	3.0
91.05457	6.9
93.07004	8.8
95.04980	4.8
95.08598	9.6
97.02899	28.9
97.06558	3.3
99.04441	3.0
103.03928	2.6
105.07021	11.1
107.04964	3.5
107.08582	10.0
109.02883	4.7
109.06533	3.0
109.10155	7.3
111.04423	9.2
111.08066	3.2
115.03959	12.7
117.06985	3.2
119.08583	7.5
121.10136	6.1
123.11738	2.9
127.03922	12.5
129.05484	24.9
129.07019	2.6
131.08578	4.5
133.04976	10.6
133.10150	6.9
135.08002	2.7
135.11646	3.5
135.20332	2.3
137.05971	2.6
137.09549	3.0
143.08641	2.8
145.04941	14.6
145.10103	8.1
147.06512	15.9
147.11688	3.1
157.10095	3.2
159.11681	5.9
161.13205	5.1
163.05969	3.6
165.09073	4.0
167.07014	4.3
169.04993	3.3
169.10173	2.2
173.13260	2.6
175.14877	2.9
181.04947	2.8
181.82491	2.5
185.13223	3.3
186.29836	2.2
225.07541	4.8
243.08533	6.0
267.60098	2.2
279.10678	8.2
309.11896	3.2
585.28790	2.7
603.28168	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	602.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01868	1.3
55.05508	2.3
57.03432	2.5
57.07069	2.2
61.02914	2.1
67.05506	5.1
67.97426	0.6
69.03438	7.6
69.07067	7.2
70.06583	0.7
70.07989	1.0
70.08388	1.9
71.01359	0.7
73.02919	9.1
79.05492	9.9
81.03427	2.7
81.07059	100.0
82.07397	1.0
83.08615	0.9
85.02908	17.6
87.04453	0.8
91.05498	1.6
93.07058	4.4
95.04992	1.5
95.08610	21.6
97.02892	12.6
99.04463	1.3
103.03945	0.7
105.07045	3.0
107.08607	5.3
108.60606	0.7
109.02916	2.2
109.10152	6.6
115.03933	6.1
119.08586	2.2
120.08950	1.0
121.06481	0.7
121.10165	2.8
123.11694	3.1
127.03932	5.6
131.08600	1.3
133.04979	7.9
133.10130	1.5
135.11725	2.6
137.05998	1.6
137.13257	23.3
143.08571	1.1
145.04962	8.2
145.10176	1.4
147.11710	2.2
149.13298	2.4
159.11665	1.1
161.13309	2.2
163.06046	3.4
163.07443	0.9
163.14787	1.2
165.09087	0.9
167.07065	1.9
173.13269	0.9
175.14842	1.1
189.16443	1.1
191.17990	0.7
192.04648	0.6
203.17979	1.3
217.19604	0.9
223.06065	2.2
241.07182	2.6
249.32730	0.6
259.08002	3.0
273.25824	1.0
277.09232	1.0
295.10272	1.3
423.08231	1.5
602.27612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89199	0.5
56.96569	0.5
69.75472	1.7
69.75896	1.1
74.86871	0.5
81.07096	0.5
85.76967	0.6
95.04959	0.5
110.40173	0.5
124.58192	0.5
155.93611	0.5
164.44322	0.5
167.07068	1.1
176.96434	0.5
185.04265	1.7
201.33430	0.5
261.25684	0.5
309.09479	0.6
411.16940	0.6
440.14682	2.0
441.15112	4.4
543.20984	1.7
603.20459	100.0
604.20947	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	603.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	4.2
57.03428	11.5
59.99303	2.9
61.02919	6.4
69.03422	21.7
69.07082	2.9
69.62686	8.6
69.63113	14.6
71.01344	3.4
71.04990	33.6
73.02929	15.4
75.04472	7.4
81.03410	5.6
83.04972	17.1
85.02901	100.0
91.03969	3.9
93.07068	3.5
95.08592	7.5
97.02890	23.7
108.24239	3.3
109.02828	3.3
111.04443	15.5
112.97366	3.6
115.03918	17.7
127.03903	10.1
129.05472	25.7
133.04945	14.1
137.06013	4.4
145.04958	19.0
147.06558	21.8
163.06003	11.6
165.09204	4.6
167.06999	3.5
191.17900	3.6
194.61870	3.4
225.07481	5.9
238.26613	3.8
243.08572	8.4
247.35020	3.1
248.38676	3.3
255.08623	4.5
266.06436	3.3
273.09665	3.4
279.10681	9.2
309.11700	4.7
508.89600	3.7
576.13660	3.9
603.29840	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
69.03415	0.3
71.05331	0.4
78.04701	0.8
79.05492	0.6
81.03413	0.3
81.07018	0.3
83.04971	0.4
85.02901	1.6
91.05458	0.6
92.36288	0.2
93.07030	0.2
95.04964	0.4
97.02891	0.4
101.07063	0.2
103.05430	0.3
105.07017	0.7
106.04178	0.5
107.04976	1.3
107.08552	0.2
109.02822	0.2
111.04468	0.4
111.08079	0.2
119.27714	0.2
120.18060	0.2
121.06485	0.4
123.04456	2.0
124.05238	1.1
127.03881	0.3
133.06468	0.8
137.05983	0.5
149.05969	0.6
151.03879	0.3
152.04756	1.1
152.05763	0.3
161.06003	1.2
163.07541	0.3
167.07033	100.0
168.07384	1.2
179.07010	0.5
181.08606	1.4
189.09227	0.3
193.08595	4.8
193.10271	0.4
195.10051	0.3
207.10178	0.7
208.65512	0.2
211.09651	14.4
213.11198	0.6
338.81039	0.2
602.19574	0.5
603.20129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
53.03945	9.1
55.05510	19.1
56.49123	2.0
57.07060	10.5
58.23076	2.4
59.04994	3.0
65.03918	6.5
67.05504	39.6
69.03444	14.7
69.07062	22.1
69.62638	16.5
71.04994	3.8
79.05498	33.9
80.05819	3.2
81.03453	2.3
81.07058	55.4
82.07369	4.9
83.04993	19.8
83.08624	16.7
85.02901	3.2
85.06532	7.8
91.05486	70.1
92.05807	4.2
93.07052	94.5
94.07381	5.2
95.04961	23.8
95.08610	38.7
97.06547	12.3
97.10155	3.1
102.61075	2.5
103.05473	7.9
105.07029	100.0
106.07355	9.2
107.08601	83.0
107.09290	2.5
108.08910	4.9
109.06535	24.6
109.10162	33.7
110.10484	5.0
111.08086	4.7
111.11741	3.4
113.05980	2.3
113.09641	6.2
115.05449	5.6
116.06270	3.0
117.07013	20.9
119.08590	90.5
120.08926	7.7
121.06491	16.9
121.10153	78.3
121.11015	5.1
122.10464	3.6
123.08060	15.0
123.11697	11.3
125.06013	5.6
125.09631	15.4
128.06224	17.5
129.07053	20.2
130.07745	10.0
131.08578	48.1
132.08875	3.3
133.06499	3.9
133.10130	59.3
134.10458	6.8
135.08075	16.6
135.11691	20.6
137.09622	11.5
139.11166	5.8
141.06981	10.9
142.07794	30.3
143.08569	46.5
144.09393	11.9
145.10130	81.6
146.10513	7.2
147.08057	11.2
147.11693	20.4
149.09622	16.9
149.13206	4.4
151.07564	7.1
151.11189	3.8
153.06955	5.5
154.07777	5.6
155.08557	20.6
155.10649	7.0
156.09354	20.0
157.10143	57.4
158.10640	8.1
159.08096	19.2
159.11697	46.2
160.08745	5.6
160.12018	5.0
161.09659	13.0
161.13255	10.1
163.11137	10.5
165.06982	6.0
165.09076	13.4
166.07748	5.9
166.09482	2.7
167.08611	15.0
167.10672	46.1
168.09236	9.4
169.10117	31.8
170.10887	14.5
171.11697	39.5
172.08800	3.0
172.12170	8.4
173.09651	7.9
173.13266	24.0
175.11166	13.4
175.14769	15.4
176.11638	2.4
177.12729	3.7
179.08661	12.9
179.10030	2.8
179.10710	2.2
180.09229	7.1
181.10152	18.5
181.12257	6.8
182.10809	10.9
183.08122	2.8
183.11696	29.1
184.12241	7.0
185.09673	3.5
185.13275	19.6
186.10144	3.0
186.13652	5.0
187.11166	5.4
187.14876	12.5
189.12758	10.1
191.14369	6.2
192.09256	3.4
193.10114	17.0
193.11957	3.7
194.10852	8.7
195.11710	30.4
196.12357	11.2
197.09602	3.0
197.13261	27.1
198.13885	4.1
199.11183	3.0
199.14798	14.5
201.12708	6.6
201.16342	6.2
203.14265	8.9
205.10115	7.1
206.10895	6.3
207.11729	15.9
207.13469	3.3
208.12328	8.8
209.13231	24.7
209.15167	4.1
210.13770	9.1
211.11205	3.4
211.14789	17.6
212.15164	3.6
213.12746	6.5
213.16357	4.0
214.13113	3.2
214.16913	3.3
215.14301	7.4
216.14877	3.1
217.15903	3.6
218.10892	2.8
219.11642	7.3
219.17520	2.5
220.12430	5.6
221.13210	14.1
221.15387	21.9
222.13808	5.6
223.14807	16.4
224.15387	3.4
225.12709	5.6
225.16319	7.1
226.13271	3.0
227.14334	6.0
233.13148	7.1
233.15379	30.1
234.13832	4.2
234.15916	4.8
235.14845	11.5
236.15305	4.9
237.16360	11.0
239.14473	3.3
239.17903	5.6
243.11705	3.8
244.12512	2.6
245.13261	5.2
247.14813	8.9
249.16478	7.5
251.17912	7.4
253.15700	3.5
253.19424	3.6
255.17490	11.0
256.17783	7.7
261.16364	7.7
263.17932	6.1
269.18997	7.3
271.20422	4.8
273.16180	4.7
273.18832	3.8
274.16699	3.0
275.17810	5.0
277.19513	3.6
281.19019	4.2
295.20584	4.6
299.20255	5.7
307.20273	2.8
348.23929	2.4
349.24942	4.2
536.41296	2.7
565.40625	3.6
583.41687	7.2
601.43262	17.6
616.79889	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	601.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66047	6.9
55.05495	24.7
67.05499	26.9
69.03415	13.5
69.07056	27.0
70.25352	23.6
71.05003	55.4
71.05334	10.4
75.75280	6.9
79.05475	18.0
81.07047	38.5
83.04966	22.9
83.08597	11.4
85.02906	70.5
91.05453	21.4
93.07050	42.9
95.04995	10.3
95.08612	64.4
105.07014	49.9
107.08615	56.1
109.10143	31.2
118.24554	7.2
119.08600	73.0
121.10131	50.7
123.11678	12.2
129.05453	21.3
131.08545	30.0
133.10136	93.7
135.08185	8.9
135.11699	34.3
143.08571	12.6
145.10104	50.1
147.11694	40.3
149.13315	16.3
157.10135	13.6
159.11667	48.0
161.13240	33.0
163.11209	11.3
163.14801	15.7
171.11765	10.5
173.13266	21.7
175.14807	23.7
177.16391	13.5
182.06506	7.6
185.13318	8.8
187.14825	31.0
189.16376	64.6
191.17966	100.0
195.11848	9.0
199.14914	11.4
201.16408	87.3
203.17998	56.2
205.15862	8.5
205.19589	8.5
213.16338	10.0
219.17424	21.9
224.01962	8.0
229.19484	8.5
247.16907	13.8
251.66110	8.8
409.34918	7.7
431.18768	17.9
437.34018	26.1
455.35098	19.8
457.36557	7.7
502.22186	9.8
537.39343	10.7
583.39758	11.8
601.40259	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72807	1.8
55.05511	5.0
55.95474	1.6
57.03435	6.0
61.02932	9.0
67.05504	5.4
69.03426	4.5
69.07069	7.9
71.01351	2.6
73.02919	81.9
79.05499	6.5
81.07066	14.3
83.08616	3.1
85.02905	7.9
87.04464	2.1
91.05478	6.2
93.07047	12.1
95.08605	22.7
97.02906	5.0
97.10178	2.7
98.20736	6.7
105.07025	24.2
107.08595	24.8
107.09264	2.0
109.10178	15.6
111.08103	3.5
115.03938	7.2
117.07053	3.8
119.08582	30.3
121.10134	13.3
121.94866	2.0
123.11681	10.1
128.06265	2.2
129.07027	2.8
131.08569	14.4
133.10130	19.7
135.11691	18.4
137.13254	3.2
143.08572	10.9
144.09373	6.7
145.10124	38.1
147.11673	18.3
149.05902	2.4
149.13280	8.3
155.08568	2.9
157.10068	11.8
158.10840	2.4
159.11694	63.6
161.09608	2.3
161.13293	13.8
161.14511	2.8
163.14836	5.1
168.09367	6.1
169.10146	3.6
171.11707	11.7
173.13264	23.6
175.14803	11.8
177.05557	2.4
177.16425	3.9
182.10924	2.8
183.11694	35.5
185.13243	15.4
187.14819	10.5
189.16376	35.4
191.14383	2.3
191.17949	28.2
197.13300	10.2
199.14854	7.5
201.12753	100.0
201.16492	8.8
203.14342	15.5
203.17999	8.7
205.15894	2.2
207.17529	7.5
209.13280	4.2
211.14874	8.3
213.16286	4.7
215.14413	10.8
215.18013	6.6
217.15894	3.9
217.19565	7.5
219.13828	10.3
225.16476	2.7
227.14381	2.0
227.17950	2.0
229.15921	3.1
229.19492	2.6
229.65593	2.1
235.20575	2.6
239.17961	3.6
241.19514	3.2
243.13774	2.6
243.17555	2.6
247.13304	67.3
249.14815	3.1
251.18024	3.3
253.19759	3.0
261.14862	42.2
265.19653	3.4
267.20966	2.2
269.19022	3.6
283.20670	2.5
315.19855	2.3
339.21890	7.5
346.49448	2.2
363.30646	4.3
381.31335	2.2
387.30585	5.3
405.31485	36.2
423.32474	11.8
433.31110	7.0
451.32040	21.7
469.33130	18.7
513.35864	21.0
555.36816	81.8
557.38733	8.5
574.53668	1.9
601.37347	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3735
Annotation	Cimicinol
Peak:m/z	Relative Intensity
55.01879	3.8
55.05507	8.6
57.03426	7.4
61.02938	8.8
64.35380	3.9
67.05489	8.1
69.03407	7.9
69.07056	16.0
71.04994	4.1
71.62159	6.4
73.02921	100.0
79.05482	10.3
81.07053	26.8
83.08618	5.9
83.31799	3.7
85.02901	13.6
91.05467	11.6
93.07055	24.0
95.04983	6.6
95.08607	43.1
97.02908	8.1
98.11180	4.0
99.08098	7.5
105.07031	33.5
107.08585	36.2
109.10165	26.8
111.08106	6.7
115.03945	9.6
119.08575	48.6
121.10152	34.9
123.11674	13.1
131.08572	19.0
133.06430	4.3
133.10133	33.4
135.07977	4.5
135.11717	29.8
142.07741	4.9
143.08569	14.7
145.10115	30.8
147.11703	20.2
149.13240	12.7
157.10132	20.3
159.11702	39.3
161.13261	14.1
163.07460	4.0
163.11211	5.5
163.14868	7.5
165.09142	4.3
167.07080	6.6
168.09364	6.3
169.10114	5.6
171.11690	17.2
173.13277	26.1
175.14825	20.0
177.16466	8.9
181.10147	5.3
183.11722	26.7
185.13239	15.7
187.14894	22.3
188.23332	4.3
189.08855	4.1
189.16409	37.6
191.14299	4.7
191.17969	23.3
195.11790	6.1
197.13258	12.6
199.07899	4.5
199.14847	17.8
201.12767	62.0
201.16374	29.7
203.14401	7.5
203.17935	13.3
205.05093	4.2
205.12274	3.5
207.17488	5.3
209.13313	7.9
211.14757	9.0
213.16347	11.7
215.14273	13.7
215.17879	8.8
217.15855	9.5
217.19460	4.5
219.13800	6.7
223.14757	4.4
225.16368	8.0
227.17900	5.6
229.12215	5.4
229.15956	8.2
239.17914	7.3
241.15738	4.5
241.19521	8.1
243.13768	6.8
243.17316	4.7
247.13295	50.0
253.19566	3.9
255.17453	4.8
261.14877	26.9
267.17938	3.7
267.21170	4.4
269.18881	5.8
283.20517	5.2
339.21411	4.8
387.30261	4.4
405.31592	47.2
423.32492	16.2
433.31049	23.6
451.32028	73.1
469.33054	25.5
513.35712	22.5
555.37079	31.1
583.35889	11.0
601.22144	5.7
601.37964	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	601.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08368	0.7
55.05510	2.2
65.51501	0.6
67.05499	3.5
69.07058	1.9
71.08633	1.0
79.05489	2.9
81.03416	2.2
81.07047	4.1
83.08574	1.3
85.02911	1.6
89.06029	1.0
91.05480	3.9
93.07035	3.2
95.04972	1.6
95.08611	3.2
97.06612	0.6
105.07028	2.9
107.04957	0.9
107.08591	2.9
109.10168	1.4
117.06998	0.8
119.08585	2.9
121.10164	1.5
122.08406	0.7
123.11650	0.8
129.07031	0.8
131.08557	1.3
133.08612	1.0
133.10144	2.7
135.11674	0.8
145.10075	1.2
147.11707	0.8
157.10147	1.0
159.11757	1.3
161.05943	0.7
163.11162	0.7
165.09146	0.9
175.14870	0.8
197.01956	0.7
221.15395	1.3
221.31403	0.7
229.58791	0.8
261.15634	0.6
267.09070	1.0
285.09946	0.9
300.65131	0.7
307.15219	1.6
317.20892	13.0
348.75653	0.7
355.51797	0.7
373.23517	3.8
601.37042	100.0
602.37689	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	601.3737
Annotation	Cimicinol
Peak:m/z	Relative Intensity
53.03929	8.2
53.71620	4.3
53.89019	4.0
55.05501	11.1
57.03424	8.9
57.07053	5.3
58.31235	4.1
61.02915	5.1
67.05490	17.1
69.03419	10.1
69.07060	17.9
70.65273	4.1
71.04974	4.2
71.37270	6.3
73.02922	61.1
74.29371	4.3
79.05482	19.4
81.07063	43.1
83.04967	4.7
83.08627	10.4
85.02898	20.1
88.57582	4.1
91.05492	21.3
93.07047	40.7
95.01307	9.0
95.08617	66.4
97.02869	6.0
99.08073	6.8
105.07030	43.5
107.08603	61.7
109.10170	41.4
111.08096	4.7
115.03901	8.1
117.07028	9.0
119.08578	63.6
121.10130	41.2
123.11715	12.8
131.08571	26.5
133.10141	34.4
135.08099	6.1
135.11658	27.8
137.13225	8.1
141.01797	7.2
143.08542	13.3
145.10118	50.5
147.11673	37.5
149.13272	35.9
155.08557	5.6
157.10147	24.5
159.11702	39.4
161.13242	19.0
163.11156	5.3
163.14822	29.2
169.10138	10.6
171.11703	22.5
173.13246	29.5
175.14799	18.2
177.16379	12.4
181.10243	7.1
181.12141	5.3
183.11588	23.5
185.13239	13.6
187.14842	27.9
189.16341	27.4
191.17937	5.3
195.11748	9.2
197.13220	16.5
199.14787	17.7
201.12718	7.4
201.16364	41.7
202.16943	4.7
203.17957	18.6
209.13322	7.9
211.14740	16.4
213.16357	17.2
215.14383	6.1
215.17932	17.4
223.14850	6.5
225.16344	9.6
227.17863	6.6
229.19487	6.3
239.17886	7.6
241.19513	9.9
243.17345	8.5
243.21104	6.4
245.15331	5.6
253.19559	8.4
253.74295	4.7
255.21013	12.0
269.18912	10.7
271.16727	5.9
313.18277	5.4
315.19675	10.6
329.20828	5.7
349.28604	7.4
368.15100	4.3
369.39374	5.2
389.31970	9.9
405.31427	17.3
407.33109	21.8
423.32425	13.7
426.61755	5.0
433.31369	23.9
451.26373	7.4
451.32089	100.0
469.33063	33.8
555.36719	8.0
583.35907	8.3
601.38184	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.8
53.31382	7.1
55.05499	25.7
57.07062	27.0
59.04981	9.3
65.03913	9.8
67.05497	43.1
69.03413	15.0
69.07062	16.7
70.78840	18.8
71.08606	10.2
71.35377	7.2
79.05486	41.9
81.07059	63.0
83.04963	23.0
83.08604	9.3
85.06538	9.5
89.06013	30.6
91.05483	63.1
93.07040	69.2
95.04939	31.2
95.08602	65.0
97.06493	16.9
105.07018	91.4
107.08592	75.9
109.06528	18.0
109.10137	28.2
111.08060	14.1
115.05437	10.0
117.06993	26.3
119.08582	89.2
121.10139	56.3
123.08058	27.2
125.05992	15.3
128.06270	12.1
129.06979	30.5
131.08580	46.8
133.08577	18.5
133.10127	49.6
135.08046	22.0
135.11658	22.1
137.09547	16.2
139.11145	9.1
142.07755	28.7
143.08595	61.7
144.09360	18.2
145.10109	74.9
147.08046	34.7
147.11662	11.6
147.94899	7.7
149.09550	19.2
151.07510	22.1
153.09111	7.2
155.08542	20.1
156.09341	20.7
157.10126	81.2
158.10735	7.1
159.08035	18.8
159.11629	40.4
161.09628	22.1
163.11169	33.5
165.07166	8.5
165.09099	51.6
167.08569	28.9
167.10603	12.1
169.10109	33.9
170.10812	8.6
171.11682	54.1
173.09618	13.7
173.13191	14.6
175.11150	18.5
181.10020	12.7
181.12236	22.9
182.10844	12.7
183.11647	24.2
185.13229	22.7
187.11076	14.8
189.12715	16.2
190.13486	7.7
191.14296	9.3
193.10123	13.9
193.12160	8.7
194.10887	15.3
194.12883	7.7
195.11691	18.5
195.13721	9.3
196.12292	12.4
197.13289	34.8
198.13814	8.2
199.11215	11.3
203.14275	33.9
207.11780	17.7
207.13818	27.8
209.13255	28.9
209.15160	8.7
210.13855	7.9
211.14771	12.1
213.12703	8.9
219.11760	14.7
221.13318	17.8
221.15318	100.0
229.11972	9.8
233.15359	22.2
234.16135	13.3
237.12718	8.5
237.14854	24.1
239.14438	9.6
247.16870	8.9
248.14072	9.3
249.16312	13.4
251.14079	8.2
251.18077	9.7
255.17482	21.3
261.16418	11.1
274.19080	11.2
279.17334	13.4
285.18484	10.3
286.19281	20.6
297.18625	8.6
299.20267	17.4
303.19583	39.6
311.19977	11.6
313.21851	8.5
325.21585	34.0
337.21719	10.9
352.23950	72.3
365.24921	39.1
416.55234	9.2
507.34525	34.2
508.14972	8.8
520.35199	26.0
552.80304	7.5
590.85565	9.1
600.39905	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.05511	20.1
57.07063	13.0
59.04993	4.7
65.03944	4.1
67.05508	29.7
69.03422	13.1
69.07072	17.4
70.06593	4.3
71.61736	3.9
71.62118	3.8
73.79317	3.3
76.99842	3.1
79.05497	27.2
81.07053	40.1
83.04973	14.9
83.08634	7.2
85.06534	6.2
87.04427	3.7
89.06025	19.8
91.05476	46.8
93.07040	69.1
95.04981	21.6
95.08605	43.4
97.06533	10.1
97.10151	3.5
103.05486	5.4
105.07034	100.0
105.07746	5.2
107.04937	6.1
107.08589	49.7
109.06543	23.6
109.10148	16.9
111.08086	9.1
115.05487	5.7
116.07079	8.1
117.07026	24.7
118.53690	3.8
119.08579	70.4
121.06488	13.7
121.10138	50.7
123.08088	29.1
123.11699	7.6
125.05949	4.6
125.09579	6.7
127.58326	3.5
128.06210	15.5
129.07021	28.0
130.07745	8.1
131.08568	43.4
133.06482	9.7
133.08609	15.7
133.10107	39.5
135.08072	21.4
135.11679	16.9
137.09618	13.5
141.07004	11.8
142.07771	21.7
143.08553	43.4
144.09314	14.0
145.10126	63.2
147.08028	30.6
147.11688	14.7
149.09599	17.0
151.07538	13.4
153.04439	3.6
153.06908	5.6
155.08545	14.2
156.09373	19.5
157.10120	74.4
158.10846	10.4
159.08057	17.1
159.11708	36.2
161.09550	19.5
161.13187	7.0
163.11171	14.9
165.06984	8.7
165.09114	30.7
167.08551	8.5
167.10663	9.1
169.10124	22.8
170.10869	11.4
171.11690	34.8
172.12500	9.4
173.09634	12.3
173.13232	13.0
175.11165	22.3
175.14784	4.0
177.12750	4.4
179.08537	9.4
181.10132	14.1
181.12219	9.1
182.10820	6.1
183.11713	23.9
185.09662	5.4
185.13208	22.0
187.11203	8.5
187.14745	5.0
189.12747	10.3
190.13559	9.7
191.08316	4.1
191.14360	5.8
193.10130	11.9
193.12262	10.1
194.10986	5.3
195.11652	21.6
196.12486	8.6
197.13275	24.4
199.11188	10.1
199.14812	10.0
201.12737	8.8
203.14301	20.8
206.10899	5.7
207.11803	8.8
207.13809	11.7
208.12451	7.0
208.14528	6.6
209.13260	17.0
210.14018	5.0
211.11240	6.9
211.14815	13.5
213.12836	10.4
213.16412	5.2
214.13536	4.8
215.14201	5.6
217.10400	3.9
219.13814	4.9
220.12509	4.7
221.13277	12.5
221.15338	76.7
223.14824	12.8
225.12732	8.1
227.14449	6.2
231.11542	5.7
232.12505	5.0
233.13219	9.0
233.15385	21.4
234.13980	4.3
234.16119	8.8
235.14833	8.1
237.14642	34.2
238.13440	4.5
239.14371	4.7
241.15921	6.3
247.14796	9.6
247.17014	7.6
248.14063	8.5
249.16350	5.9
253.15848	7.6
255.17439	26.0
259.14560	5.5
261.16336	8.2
268.18185	7.3
269.19040	4.2
270.19705	7.3
271.17111	6.9
273.18683	4.8
274.19257	10.7
281.18930	7.8
285.18683	7.7
286.19373	9.1
287.20090	9.4
295.20642	4.5
297.18375	6.8
299.20032	11.8
303.19604	44.2
313.21631	11.4
325.21649	16.4
337.21637	10.5
347.23499	3.8
352.23923	74.5
365.24738	23.8
377.24805	7.2
383.25763	5.1
401.28125	4.3
415.26007	4.7
446.40140	3.9
502.34116	8.8
505.32724	8.3
507.34482	12.5
520.35651	38.1
583.40228	4.6
585.40100	5.5
600.41571	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16755	1.6
50.85300	1.9
53.03946	4.4
55.05502	6.8
57.07078	13.8
59.04996	3.8
59.96139	1.9
65.03928	2.3
67.05510	14.0
69.03430	9.5
69.07058	6.7
69.30315	17.4
71.08627	3.2
76.65800	1.9
79.05483	18.0
81.07059	22.7
83.04971	7.5
83.08609	4.4
85.06528	7.5
89.06001	9.5
91.05473	28.6
91.56669	2.0
92.06287	2.2
93.07050	38.0
95.04959	7.7
95.08109	2.8
95.08617	25.6
97.06533	6.7
103.05462	1.8
105.07034	48.6
107.04967	2.7
107.08591	29.2
109.06509	11.7
109.10175	9.3
111.04430	1.8
111.08060	2.7
111.10289	2.0
115.05432	5.1
117.07028	13.4
119.04967	3.1
119.08582	65.3
120.09344	5.5
121.06511	6.6
121.10146	23.1
122.07304	4.5
123.08069	19.9
123.11759	3.0
125.06009	11.4
128.06244	5.7
128.37689	1.8
129.06941	9.1
130.07748	5.2
131.08578	29.0
132.09409	4.0
133.06523	5.9
133.08591	5.4
133.10147	27.0
134.10905	3.0
135.08060	22.4
135.11688	10.1
137.09613	16.2
139.07585	2.8
141.07002	3.8
142.07756	10.8
143.08551	28.4
144.09343	9.4
145.06548	3.1
145.10124	41.8
147.08049	29.8
147.11699	8.9
148.08853	2.0
149.09663	15.7
150.10480	2.3
151.07542	13.1
153.09195	3.8
154.07811	2.7
155.08545	9.0
156.09338	11.9
157.10132	36.8
158.10870	4.4
159.08084	7.9
159.11690	27.7
160.08870	3.3
161.09637	12.2
161.13303	7.3
163.07460	2.8
163.11201	23.2
164.11984	2.0
165.09131	46.0
167.08571	5.5
168.09381	4.9
169.10135	14.5
170.10916	6.3
171.07942	2.4
171.11688	19.7
172.12437	3.2
173.09659	8.5
173.13191	9.2
175.11163	24.4
175.14810	2.3
177.09190	3.9
178.09938	5.5
179.08521	4.8
179.10687	2.7
180.11455	3.3
181.10149	7.6
181.12222	21.8
182.10931	5.0
183.11671	18.5
184.12392	3.7
185.09578	3.8
185.13263	12.5
187.11153	6.4
187.14798	2.5
188.11862	2.2
189.12733	9.1
190.13554	7.1
191.10678	7.4
193.10211	5.9
193.12283	19.8
194.10919	3.6
195.11708	10.5
195.13519	2.9
196.12418	4.1
197.13281	9.3
198.10463	2.5
199.11179	6.0
199.14842	4.2
201.12750	7.0
203.14284	19.5
206.11069	2.6
207.11725	5.6
207.13832	9.0
208.12712	2.7
208.14496	8.8
209.13303	12.2
211.11115	3.7
211.14841	10.1
213.12741	4.2
213.16400	2.2
215.14340	3.5
219.11769	3.8
219.13676	9.4
221.13348	7.1
221.15356	100.0
222.15819	4.3
223.11272	2.3
223.14839	6.2
224.11931	2.1
225.12791	4.0
225.16478	3.6
227.14230	5.0
229.15900	3.6
233.13126	3.2
233.15396	3.3
234.16150	22.2
235.14754	3.9
239.14398	3.4
239.17972	3.4
240.18726	2.9
241.15894	2.7
245.15538	3.9
247.14671	1.5
247.16956	30.6
248.17680	4.4
249.16353	2.6
251.14362	2.4
259.16934	5.7
263.14029	2.6
265.79266	2.1
269.15323	4.1
269.19070	2.9
271.16940	6.0
273.18546	3.8
274.19284	15.6
279.17419	3.1
281.18921	3.4
283.16867	2.6
283.26395	4.7
285.18536	3.3
286.19275	5.4
287.20148	11.3
297.18625	3.3
298.19266	2.8
299.20068	15.2
300.20847	4.5
307.20432	5.1
311.20050	5.6
312.20877	7.2
313.21606	5.2
323.19879	3.0
325.21698	14.1
327.22980	2.4
337.21652	6.2
339.23199	5.7
340.23923	19.7
352.23981	32.5
353.86420	2.1
365.24774	5.2
366.25562	4.4
376.97385	2.0
377.24567	3.0
379.26309	4.2
387.25360	5.3
391.26422	4.9
392.27020	4.0
400.26056	2.7
405.28055	2.2
413.26816	6.3
419.29373	10.7
420.30365	3.8
425.26804	8.4
426.27551	6.2
427.28448	15.3
430.92319	2.1
440.29227	55.7
442.30673	3.7
454.30368	3.4
460.51691	2.6
508.35223	7.4
520.35443	40.1
521.36475	4.3
585.39221	3.6
600.41730	25.7
600.56366	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.6
57.07056	12.8
59.04985	5.9
67.05486	16.7
69.03415	9.9
69.07048	9.2
73.91145	3.0
78.75517	2.9
79.05108	2.9
79.05479	19.0
81.03392	3.6
81.07061	26.6
83.04984	6.5
83.08597	5.2
85.06529	6.5
89.06039	17.1
91.05485	31.0
93.07050	37.8
95.04956	10.9
95.08610	28.6
97.06499	4.8
105.07038	57.9
107.08598	28.2
109.06497	14.4
109.10148	8.8
117.07004	8.5
119.08588	56.9
120.09152	3.0
120.29651	3.3
121.06490	9.3
121.10139	26.9
123.08066	15.5
125.05973	14.9
125.09592	3.7
128.06219	4.4
129.06982	11.9
130.07829	6.0
131.08553	24.8
133.06392	4.0
133.08583	14.3
133.10124	30.9
135.08035	19.3
135.11647	9.9
137.05963	4.6
137.09575	15.1
137.13145	3.7
141.06978	8.0
142.07779	13.2
143.08583	24.5
144.09259	3.9
145.10110	45.1
147.08061	24.0
147.11647	9.8
149.09624	14.3
151.07501	11.5
155.08553	9.4
156.09346	8.9
157.10155	31.4
158.10884	4.1
159.08032	5.7
159.11691	23.6
161.09613	11.2
161.13200	4.6
163.11159	20.2
165.09099	41.6
169.10080	15.1
171.11653	16.0
173.09650	8.5
173.13284	10.4
175.11198	22.2
175.14742	3.2
176.11679	3.3
177.09149	7.4
177.11171	5.7
177.12627	4.0
179.08492	4.9
180.09207	3.2
181.10152	8.0
181.12222	16.4
182.10974	5.9
183.11696	14.7
184.12041	3.8
185.13275	7.9
187.11235	7.3
187.14818	3.7
189.12689	9.1
190.13489	5.9
191.10703	4.6
193.10085	5.0
193.12222	18.2
195.11636	12.6
196.12373	3.7
197.13287	8.8
199.11250	7.1
199.14912	4.1
201.12714	9.8
203.14310	22.2
207.11853	4.1
207.13809	10.3
208.12491	3.0
208.14493	11.5
209.13286	8.5
211.11105	6.9
211.14745	7.9
213.12640	3.7
215.10638	3.9
215.14317	6.7
219.13773	7.7
221.13344	5.2
221.15349	100.0
222.15695	6.0
223.14882	7.8
225.12704	3.7
227.14275	5.5
233.15323	6.8
234.13992	5.0
234.16035	20.6
235.14786	6.0
239.14125	4.6
247.14705	7.1
247.16924	29.0
261.18451	3.9
274.19257	15.9
286.19180	3.4
287.19995	10.2
297.18439	3.7
299.20032	21.2
300.20737	5.4
309.13757	3.4
310.19302	5.3
312.20786	12.3
313.21701	7.0
325.21481	13.5
327.23285	6.0
339.23096	10.0
340.23932	18.4
352.23898	30.2
361.25470	3.4
366.25620	4.6
379.26154	6.7
387.24902	5.5
402.43219	3.0
419.29459	8.9
425.26913	7.0
426.27451	5.2
427.28357	15.0
440.29221	46.1
442.30798	3.9
508.35434	9.0
520.35394	34.1
530.30920	4.2
600.41577	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.97746	0.9
55.05514	4.8
57.07077	7.4
59.04992	1.8
60.18395	0.8
62.69278	0.8
65.03935	1.4
67.05502	8.1
69.03425	6.0
69.07056	3.2
70.12000	2.4
79.05495	8.0
81.07053	12.2
83.04992	4.0
83.08614	1.1
85.06532	3.1
91.05476	15.9
93.07050	18.8
95.04970	6.0
95.08611	13.9
95.09203	0.7
97.06522	2.6
103.05475	0.9
105.07032	24.3
107.08590	12.7
109.05868	0.9
109.06493	5.1
109.10169	5.3
111.08060	2.1
115.05476	0.9
117.07011	4.3
119.07767	1.7
119.08583	24.4
120.09365	1.2
121.06560	4.0
121.10139	11.9
123.08067	10.5
123.11732	1.5
123.80051	0.8
125.05978	2.0
128.06238	2.3
129.07014	4.5
130.07779	0.9
131.08556	8.2
133.06506	2.3
133.10136	13.6
135.08051	10.0
135.10745	0.9
135.11653	4.4
137.06003	0.9
137.09612	13.1
139.07539	1.5
141.07005	2.1
142.07814	5.0
143.08565	11.7
144.09367	1.9
145.10120	18.6
147.08046	24.4
147.11708	3.6
148.08836	0.8
149.09621	4.4
151.07568	8.4
153.06981	1.0
155.08569	5.8
156.09308	5.5
157.10136	17.2
158.11012	1.2
159.08055	2.6
159.11699	11.5
161.09644	4.8
161.13266	4.9
163.11194	6.8
165.09119	52.5
167.08557	2.4
167.10666	2.0
168.09370	2.7
169.10101	7.3
170.10965	2.3
171.08038	1.4
171.11710	9.2
173.09598	3.9
173.13226	4.2
174.10301	0.9
175.11234	2.8
175.14851	2.2
177.09132	2.0
177.12726	1.6
179.08560	1.4
179.10852	0.9
180.09471	0.8
181.10130	3.9
181.12207	6.5
182.10910	2.5
183.11679	11.2
184.12415	0.9
185.09654	1.7
185.13252	6.1
187.11208	1.9
187.14845	1.8
188.12036	1.4
189.12762	4.3
191.09041	1.1
191.10709	3.6
191.14301	1.5
193.10237	1.7
194.10875	1.6
195.11749	4.4
195.13515	1.1
196.12354	1.7
197.13264	4.7
199.11215	2.4
199.14876	2.1
201.12747	1.8
203.14301	16.6
207.11789	1.8
207.13812	6.2
208.12521	1.5
209.13268	6.2
209.15016	1.0
211.11211	2.3
211.14778	6.0
213.12762	2.4
213.16466	1.0
215.14346	1.2
219.11743	1.5
221.15359	100.0
223.11168	1.1
223.14847	2.1
225.12706	1.2
225.16316	1.2
227.14340	1.8
227.17892	1.0
229.12349	1.3
229.15868	1.6
231.13737	2.0
232.12321	1.3
233.13205	1.6
233.15398	2.8
235.14868	1.6
237.12801	1.4
239.14307	0.9
247.14484	1.5
247.16933	17.1
248.07228	1.0
249.16301	1.3
251.18080	1.2
261.18735	1.3
263.18018	1.4
269.19000	1.1
271.16956	1.5
279.08167	0.9
281.19040	1.0
286.19171	1.5
287.20078	7.3
299.20129	6.5
301.21707	2.0
311.20010	1.0
313.21490	2.1
325.21582	1.2
327.23346	2.0
365.24731	5.2
374.23672	1.1
391.26291	9.6
401.27914	1.0
413.27200	1.2
419.29419	3.2
427.28668	5.1
453.29898	1.4
507.34683	9.2
519.34705	3.5
542.54791	1.0
581.40009	2.5
599.40948	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01869	2.2
55.05513	9.7
57.07069	7.8
59.04987	3.9
64.02487	1.4
65.03954	3.5
67.05507	15.3
68.02514	1.2
69.03427	9.7
69.07061	7.8
70.32594	1.5
70.32938	5.4
70.47498	1.3
73.40006	1.3
79.05494	18.1
81.03414	3.5
81.07059	23.9
83.04976	11.1
83.08629	6.1
85.02903	1.5
85.06548	6.3
91.05487	28.2
93.07043	31.0
95.04980	13.2
95.08614	18.1
97.06532	6.1
97.10182	1.7
103.05431	1.5
105.04559	1.7
105.07033	46.4
107.08591	36.7
109.06522	10.6
109.10172	13.8
111.04485	1.8
111.08073	4.1
113.09715	1.5
115.05486	3.8
117.07034	9.4
119.04973	1.8
119.08585	43.7
121.06519	11.4
121.10150	34.4
123.08074	15.1
123.11722	4.7
125.05967	2.6
125.09611	7.5
128.06259	6.8
129.07013	14.6
130.07799	6.1
131.08575	23.1
133.06506	4.5
133.10129	25.1
135.08057	18.7
135.11693	9.1
137.05965	2.1
137.09593	8.4
139.07536	2.4
139.11240	3.1
141.07005	6.0
142.07780	14.6
143.08569	29.7
144.09355	7.4
145.06464	2.0
145.10126	31.4
147.08051	16.2
147.11714	8.8
149.09625	16.7
149.13306	2.7
151.07547	16.1
153.07027	2.3
153.09052	1.6
154.07784	2.6
155.08571	10.5
155.10606	1.5
156.09338	11.6
157.10126	31.9
157.11284	2.4
158.10939	4.1
159.08069	13.2
159.11697	18.8
161.09630	10.6
161.13303	4.8
163.11214	8.5
165.07027	3.7
165.09119	25.1
167.08609	6.5
167.10680	14.6
168.09401	5.4
169.10147	22.4
170.10924	5.6
171.08026	2.6
171.11691	20.7
172.12421	1.8
173.09685	7.2
173.13248	8.9
175.11259	7.2
175.14876	3.4
177.09158	2.3
177.12766	2.6
179.08554	6.9
180.09360	2.0
181.10146	10.6
181.12221	6.2
182.10963	4.8
183.11710	17.7
184.12480	3.0
185.09666	3.9
185.13206	9.2
187.11217	4.9
187.14867	3.9
189.12697	8.0
191.10614	1.8
191.14359	3.9
192.09369	3.5
193.10162	10.4
193.12132	3.0
194.10951	6.2
195.11717	11.3
195.13313	1.5
196.12457	3.5
197.09589	2.4
197.13257	14.4
199.11198	8.6
199.14880	5.3
201.12799	4.0
203.14305	10.0
205.10214	1.9
206.10939	3.1
207.11758	9.1
207.13849	12.0
208.12561	3.1
209.09792	2.0
209.13312	12.9
209.15421	4.1
211.11298	3.1
211.14886	5.3
213.12685	4.7
213.16371	1.9
215.14362	3.4
217.10208	2.4
217.15907	1.8
218.10942	2.5
219.11771	4.0
219.13895	1.5
220.12497	3.4
221.13271	11.1
221.15317	48.8
223.11281	2.3
223.14885	6.4
225.12827	3.9
225.16463	4.0
227.14418	2.3
229.12294	1.8
231.11749	3.3
232.12549	2.4
233.13268	3.7
233.15358	33.4
234.13988	2.0
235.14845	5.2
235.16985	3.1
237.12741	2.4
237.14706	2.7
237.16740	2.6
239.14360	3.8
241.15891	3.8
243.11723	2.6
243.13896	1.8
245.13158	2.5
246.14108	1.8
247.14871	5.1
247.17093	2.6
248.15465	2.2
249.16525	2.2
251.14407	1.7
251.18031	2.0
253.15645	2.1
255.17595	2.4
258.14090	1.7
259.14722	2.2
260.15564	1.6
261.16397	2.1
263.17969	4.0
267.66788	1.5
269.19034	3.4
273.16229	2.8
273.18732	2.3
275.14386	1.8
275.17731	2.2
279.17413	1.6
281.19016	9.1
285.18719	3.1
286.19421	2.4
287.20224	3.4
293.18805	2.0
299.20175	4.1
307.20642	3.3
310.17282	1.6
311.20029	1.9
312.21085	1.7
335.19876	1.6
345.05200	1.7
352.24188	1.7
364.24072	4.5
365.24899	2.8
373.25223	4.0
377.24881	2.7
391.26382	4.8
415.28778	1.6
441.29956	3.6
442.50220	1.6
489.33502	3.7
493.32932	4.0
507.34735	81.8
546.25916	1.4
581.40057	5.0
588.29370	1.8
599.40991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.05506	15.9
57.03417	14.0
65.03933	3.9
67.05502	29.1
69.03427	9.1
69.07062	21.9
70.75378	4.4
70.75713	8.0
71.04985	38.9
73.02907	9.4
79.05484	26.6
81.03381	5.8
81.07063	44.0
81.55420	4.0
83.04970	13.3
83.08596	9.2
84.61343	3.9
85.02906	65.7
85.06530	5.5
87.04448	4.0
91.05470	30.5
93.07049	42.5
95.04958	11.0
95.08602	69.9
97.02899	6.8
97.10166	4.8
104.71609	3.5
105.07024	52.7
106.04109	4.0
107.08593	63.3
109.02889	5.8
109.06497	5.7
109.10175	55.0
111.04456	9.1
111.08062	11.8
117.07008	8.7
119.07778	7.6
119.08579	94.0
120.62914	3.4
121.06486	4.1
121.10151	38.6
123.11699	10.8
129.05466	16.4
129.07011	4.9
131.08568	33.5
133.10124	61.5
135.11674	23.6
143.08545	16.5
145.10123	56.2
147.11703	45.5
149.05983	4.4
149.09634	6.0
149.13255	40.4
153.09155	4.7
157.10117	25.0
159.08081	4.0
159.11703	43.2
161.13243	38.0
163.07492	9.4
163.14835	15.4
167.07031	15.2
169.10089	7.1
171.11662	15.4
172.12498	5.3
173.13258	30.3
175.14812	31.9
177.09117	3.9
177.16391	23.9
181.10025	4.3
183.11667	12.6
185.13240	14.9
187.11140	5.4
187.14789	40.6
189.09041	4.7
189.16380	54.7
191.17950	16.5
195.11778	5.5
197.13336	7.2
199.14822	21.8
201.16391	100.0
203.10698	4.5
203.17969	28.4
205.15900	10.7
207.17441	11.4
211.14801	10.3
213.16365	15.9
215.17924	16.4
217.15851	6.4
217.19508	4.4
219.11600	4.7
219.13765	5.9
219.17436	6.6
221.15373	4.8
223.14865	4.6
225.16429	7.7
227.17928	12.0
229.16090	5.0
231.17654	4.0
233.15312	6.5
233.18694	5.8
237.16339	5.5
239.17807	4.9
243.21373	5.1
245.15384	14.2
247.16988	24.4
251.17827	5.0
253.19521	7.4
255.21155	6.2
259.16827	8.7
267.21091	8.5
281.22464	5.4
285.18304	6.6
295.24255	5.1
336.42709	3.8
341.24673	9.7
389.31967	17.5
407.33026	25.6
423.32584	7.2
433.31155	5.1
435.32623	95.3
453.33307	27.7
465.33145	5.1
535.37659	5.1
553.38959	5.5
563.36798	5.8
581.38092	10.7
599.38550	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	598.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36949	2.1
54.93724	1.9
55.05507	2.9
57.07083	41.3
58.06594	2.7
58.23875	2.1
67.05512	4.7
69.07057	7.8
71.08636	31.6
73.06558	10.6
79.05495	4.6
81.07064	4.8
83.08624	6.9
85.10183	25.4
87.04472	7.6
89.06040	100.0
91.05483	2.5
93.07051	6.2
95.08617	3.3
97.10176	5.1
98.20722	7.8
105.07048	3.3
106.73727	2.1
107.08568	4.5
109.10175	3.5
110.72113	1.9
111.11728	5.5
117.09137	6.0
119.08581	4.7
121.10149	3.5
123.11726	2.4
127.14893	2.3
130.08643	2.6
131.07045	3.1
133.08623	54.7
133.10141	3.9
145.10153	3.9
157.10159	4.4
177.11276	24.0
177.12708	3.4
179.19275	2.1
195.21780	2.2
211.24171	3.4
221.13797	5.5
230.91888	2.0
283.17722	2.3
299.29446	8.4
343.31921	4.4
371.22852	8.6
414.30142	2.2
436.27942	2.5
564.76575	2.7
581.46124	8.5
598.39807	3.6
598.48859	3.7
598.62964	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	599.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01878	1.0
66.79140	0.6
69.03425	0.8
70.35909	2.2
79.05499	1.6
81.03399	1.0
81.07080	0.7
81.46792	0.6
85.02907	2.3
88.09940	0.5
89.22558	0.7
91.05542	0.8
95.01354	0.6
95.04959	0.7
97.02895	0.7
98.20809	0.9
105.07088	0.7
107.04958	100.0
109.02872	1.2
121.02872	1.2
121.06512	0.7
130.51773	0.6
131.04926	0.9
139.03958	0.9
147.04359	1.6
149.05989	1.5
151.03960	1.2
163.03865	2.0
173.05998	1.6
175.03940	2.4
177.05527	1.9
181.04979	3.1
185.06107	0.8
187.03925	2.4
189.05421	1.8
191.03477	1.1
193.05008	2.4
199.04015	0.9
201.05455	1.2
205.05008	4.6
213.05450	1.3
217.04973	4.0
219.03012	0.9
219.06409	1.1
221.04335	0.9
223.06047	1.4
229.05016	2.5
231.06528	1.9
235.06004	3.4
241.04768	1.4
243.06665	1.3
245.04645	0.7
247.05942	5.1
253.04932	1.0
255.06548	1.1
259.06024	8.2
271.06122	3.2
273.07568	1.7
277.07083	1.2
283.05969	2.2
287.05807	0.7
287.08954	0.9
289.07104	2.5
299.05539	0.9
299.09058	1.7
301.06973	4.4
311.09042	1.1
313.07053	2.1
317.10391	1.0
325.07028	2.1
329.10168	3.5
335.08939	0.8
341.10193	3.0
343.08191	1.2
353.10114	5.8
365.10010	3.5
377.10284	2.1
383.11285	6.7
389.10172	0.8
395.11200	6.7
407.11282	8.2
413.12305	3.2
419.11212	4.8
425.12402	3.2
431.13544	9.4
443.13226	2.8
449.12259	6.6
461.12933	3.4
467.13351	3.2
470.45700	0.8
473.12143	2.2
479.13583	2.8
485.14334	2.1
491.13455	1.9
497.14410	5.5
509.14124	2.0
527.15564	2.1
545.16534	0.8
605.69415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.05506	15.9
57.03417	14.0
65.03933	3.9
67.05502	29.1
69.03427	9.1
69.07062	21.9
70.75378	4.4
70.75713	8.0
71.04985	38.9
73.02907	9.4
79.05484	26.6
81.03381	5.8
81.07063	44.0
81.55420	4.0
83.04970	13.3
83.08596	9.2
84.61343	3.9
85.02906	65.7
85.06530	5.5
87.04448	4.0
91.05470	30.5
93.07049	42.5
95.04958	11.0
95.08602	69.9
97.02899	6.8
97.10166	4.8
104.71609	3.5
105.07024	52.7
106.04109	4.0
107.08593	63.3
109.02889	5.8
109.06497	5.7
109.10175	55.0
111.04456	9.1
111.08062	11.8
117.07008	8.7
119.07778	7.6
119.08579	94.0
120.62914	3.4
121.06486	4.1
121.10151	38.6
123.11699	10.8
129.05466	16.4
129.07011	4.9
131.08568	33.5
133.10124	61.5
135.11674	23.6
143.08545	16.5
145.10123	56.2
147.11703	45.5
149.05983	4.4
149.09634	6.0
149.13255	40.4
153.09155	4.7
157.10117	25.0
159.08081	4.0
159.11703	43.2
161.13243	38.0
163.07492	9.4
163.14835	15.4
167.07031	15.2
169.10089	7.1
171.11662	15.4
172.12498	5.3
173.13258	30.3
175.14812	31.9
177.09117	3.9
177.16391	23.9
181.10025	4.3
183.11667	12.6
185.13240	14.9
187.11140	5.4
187.14789	40.6
189.09041	4.7
189.16380	54.7
191.17950	16.5
195.11778	5.5
197.13336	7.2
199.14822	21.8
201.16391	100.0
203.10698	4.5
203.17969	28.4
205.15900	10.7
207.17441	11.4
211.14801	10.3
213.16365	15.9
215.17924	16.4
217.15851	6.4
217.19508	4.4
219.11600	4.7
219.13765	5.9
219.17436	6.6
221.15373	4.8
223.14865	4.6
225.16429	7.7
227.17928	12.0
229.16090	5.0
231.17654	4.0
233.15312	6.5
233.18694	5.8
237.16339	5.5
239.17807	4.9
243.21373	5.1
245.15384	14.2
247.16988	24.4
251.17827	5.0
253.19521	7.4
255.21155	6.2
259.16827	8.7
267.21091	8.5
281.22464	5.4
285.18304	6.6
295.24255	5.1
336.42709	3.8
341.24673	9.7
389.31967	17.5
407.33026	25.6
423.32584	7.2
433.31155	5.1
435.32623	95.3
453.33307	27.7
465.33145	5.1
535.37659	5.1
553.38959	5.5
563.36798	5.8
581.38092	10.7
599.38550	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
57.03413	1.0
58.88187	0.9
63.15775	0.9
69.03423	2.8
71.27831	1.6
79.05472	2.2
81.03419	12.9
85.02908	8.3
91.05471	2.7
95.04958	2.0
97.02879	3.1
103.05460	2.3
105.07028	1.2
107.04965	8.2
115.05450	4.9
117.07004	13.6
123.04429	3.4
124.05221	2.3
127.03915	1.9
128.06226	1.5
129.06990	3.7
130.04166	1.7
131.08542	3.2
133.06448	1.0
141.06975	1.5
141.84869	0.9
144.05679	2.9
145.04912	2.2
145.06477	28.1
150.73717	0.9
152.38953	0.9
153.67647	0.8
155.06004	4.9
156.05705	5.4
157.06424	1.9
159.08054	4.3
161.06017	2.8
167.07036	43.9
172.05228	1.2
173.05975	54.1
175.07454	1.3
180.08644	4.3
181.04967	2.9
183.06519	1.1
186.01437	1.0
187.07549	6.4
190.06236	34.6
191.06891	3.0
193.08621	2.8
202.06212	4.3
203.07016	5.8
205.08588	100.0
207.06468	2.1
209.08203	0.9
215.07085	1.3
217.08588	37.9
219.10112	3.8
223.09715	2.9
231.10184	1.0
233.08043	2.6
234.08348	1.8
235.09636	29.4
244.56631	0.9
247.07693	0.9
247.09799	6.5
248.17894	1.0
263.10840	1.0
265.10709	26.0
275.06946	1.2
279.10089	1.4
291.10101	1.2
299.09152	1.1
307.09299	1.1
308.10437	1.0
315.08621	3.6
323.12750	1.5
330.11002	5.1
331.11917	2.1
339.12344	1.4
351.12192	3.1
368.12653	1.1
371.14844	3.4
383.14828	9.7
401.15924	11.0
418.15613	1.6
420.18195	1.2
445.58789	0.9
493.61246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
57.03413	1.0
58.88187	0.9
63.15775	0.9
69.03423	2.8
71.27831	1.6
79.05472	2.2
81.03419	12.9
85.02908	8.3
91.05471	2.7
95.04958	2.0
97.02879	3.1
103.05460	2.3
105.07028	1.2
107.04965	8.2
115.05450	4.9
117.07004	13.6
123.04429	3.4
124.05221	2.3
127.03915	1.9
128.06226	1.5
129.06990	3.7
130.04166	1.7
131.08542	3.2
133.06448	1.0
141.06975	1.5
141.84869	0.9
144.05679	2.9
145.04912	2.2
145.06477	28.1
150.73717	0.9
152.38953	0.9
153.67647	0.8
155.06004	4.9
156.05705	5.4
157.06424	1.9
159.08054	4.3
161.06017	2.8
167.07036	43.9
172.05228	1.2
173.05975	54.1
175.07454	1.3
180.08644	4.3
181.04967	2.9
183.06519	1.1
186.01437	1.0
187.07549	6.4
190.06236	34.6
191.06891	3.0
193.08621	2.8
202.06212	4.3
203.07016	5.8
205.08588	100.0
207.06468	2.1
209.08203	0.9
215.07085	1.3
217.08588	37.9
219.10112	3.8
223.09715	2.9
231.10184	1.0
233.08043	2.6
234.08348	1.8
235.09636	29.4
244.56631	0.9
247.07693	0.9
247.09799	6.5
248.17894	1.0
263.10840	1.0
265.10709	26.0
275.06946	1.2
279.10089	1.4
291.10101	1.2
299.09152	1.1
307.09299	1.1
308.10437	1.0
315.08621	3.6
323.12750	1.5
330.11002	5.1
331.11917	2.1
339.12344	1.4
351.12192	3.1
368.12653	1.1
371.14844	3.4
383.14828	9.7
401.15924	11.0
418.15613	1.6
420.18195	1.2
445.58789	0.9
493.61246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
53.04689	1.9
55.01880	2.2
65.03946	4.7
67.05495	3.4
69.03423	12.5
69.94550	7.9
73.02905	2.2
79.05497	10.2
79.85883	1.8
81.03412	4.6
81.07045	3.5
85.02915	15.7
91.05473	5.7
93.03400	2.8
95.04948	6.2
97.02878	4.7
97.06523	1.8
98.21416	2.9
98.97581	3.4
99.04428	2.2
107.04958	24.2
110.03685	3.0
111.04459	2.8
115.05458	4.2
117.07007	4.9
123.04430	4.8
124.05180	4.5
125.05976	4.3
127.03914	6.7
128.06216	2.4
129.07016	3.3
131.04948	3.9
133.06482	4.2
137.05957	2.4
144.05750	5.2
145.06511	7.7
147.04425	7.1
152.04689	3.1
153.05472	4.2
155.06000	3.9
157.06523	2.9
158.99672	3.6
159.04445	1.8
159.08032	5.3
161.06001	5.1
167.07034	82.8
168.07368	1.8
171.06555	3.5
172.05212	12.8
173.06000	8.1
174.06866	2.4
175.03835	2.6
175.07561	2.6
177.01880	2.0
181.04959	65.9
182.05356	2.9
185.06021	3.2
185.08112	6.0
187.07529	7.6
189.05455	5.2
191.07024	2.5
191.10802	2.5
195.02913	3.1
195.06445	2.9
200.04701	5.6
201.05504	6.7
205.08609	6.1
206.05663	2.6
207.02878	3.8
213.05380	3.1
217.08743	4.3
218.05614	11.9
219.02901	7.9
219.10127	5.6
221.08060	6.1
231.02946	19.4
233.08084	100.0
234.08681	2.0
235.07494	2.9
235.09679	3.8
243.03020	2.6
245.08046	4.3
251.09169	6.0
261.03955	7.3
263.09167	27.0
273.03906	2.4
275.07089	1.8
276.07928	2.1
281.07837	1.9
285.03973	5.9
291.04697	2.1
292.07483	2.2
293.07990	2.8
294.05069	1.9
303.05081	2.7
307.09616	5.5
311.12796	2.1
327.05005	4.1
331.07837	2.6
335.09122	2.0
337.10797	2.5
339.07904	3.7
339.12280	2.7
347.47058	1.9
351.08713	2.5
355.11807	3.2
363.07071	2.8
367.11743	6.1
371.14908	2.8
381.09549	2.4
387.14508	12.5
393.09311	2.8
399.14377	14.6
405.07755	2.3
417.15451	79.7
435.16415	2.2
441.10999	2.6
447.10638	2.9
459.13113	2.9
463.91910	1.8
532.05798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.1
57.07064	3.1
67.05506	6.9
68.04655	0.6
69.07069	4.0
71.04993	0.8
71.08617	2.0
71.61774	1.0
79.05487	4.3
81.07056	8.6
83.08610	2.5
85.10168	1.2
88.07619	0.8
91.05486	3.6
93.07047	5.8
95.05000	1.0
95.08604	8.0
97.10188	0.8
105.07030	2.9
107.08594	3.1
109.10157	3.1
111.08078	0.8
117.07005	1.4
119.08574	2.5
121.10136	3.0
121.10903	0.7
123.11737	1.9
131.08543	1.9
133.10120	1.3
135.11696	1.9
145.10127	1.0
147.11708	1.0
149.13248	1.4
159.11713	1.0
161.13226	1.4
164.57758	0.8
173.13254	0.9
183.28561	0.7
201.16455	1.0
261.22079	1.1
279.23172	2.8
283.15198	10.9
283.26233	1.3
297.24265	1.1
313.27316	1.0
339.17807	6.2
541.46613	0.7
559.47089	1.0
577.47522	1.0
595.41675	100.0
596.41974	2.0
610.94507	0.7
615.28833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Magnolenin C
Peak:m/z	Relative Intensity
53.03951	1.6
57.03417	1.5
60.44063	1.5
61.02909	1.5
65.03924	5.5
65.65545	1.5
66.63116	1.4
67.05498	1.7
69.03426	7.0
69.61584	10.6
71.04971	4.3
79.05505	9.5
81.03413	3.6
82.04195	2.4
85.02901	10.5
86.03222	1.6
91.05453	3.3
93.03372	2.1
95.04933	2.8
97.06540	2.2
103.05422	1.6
107.04950	20.0
109.06514	1.4
110.03589	2.4
115.05439	3.3
116.06244	2.0
117.07005	6.9
123.04459	4.0
124.05200	3.2
125.05963	3.3
127.03925	7.5
128.06200	1.6
129.06984	4.1
131.04904	2.0
131.08504	3.0
133.06450	1.5
137.05971	5.3
142.78363	2.3
144.05710	4.8
145.06485	10.3
147.04379	1.6
152.04649	1.8
153.05441	2.7
155.05956	2.0
157.06519	3.0
159.08055	6.5
161.05954	5.9
167.07033	63.8
171.06601	3.6
172.05154	8.9
173.05975	6.9
175.07573	3.7
181.04962	100.0
184.10197	1.4
185.05975	2.8
187.07550	8.6
189.05478	5.1
190.06166	2.2
191.06953	2.2
191.10661	3.9
195.06448	3.4
196.40257	1.8
197.09583	1.6
200.04651	5.7
201.05490	7.5
205.08614	6.2
206.05772	2.9
207.08142	1.5
217.08652	4.2
218.05730	9.1
219.06361	2.6
219.08177	2.8
219.10110	5.1
221.08099	7.6
222.06786	1.5
231.02916	1.7
233.08089	78.2
235.09645	4.0
245.08109	4.2
247.07433	1.7
251.09135	4.2
263.06964	2.1
263.09222	24.9
277.08521	2.2
279.10153	1.8
281.10284	2.9
283.75989	1.8
287.05457	16.4
288.05865	14.7
289.05981	13.9
292.07147	1.7
295.09570	2.1
307.09503	3.2
355.11523	3.3
367.11688	4.6
371.15121	2.6
381.13419	2.7
384.11630	2.7
387.14499	15.8
399.14304	12.5
405.15500	2.3
410.45612	1.5
417.15436	85.2
418.15570	2.2
435.16373	3.7
529.62396	1.6
540.08759	1.7
579.20337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44465	0.7
53.03949	1.2
55.01836	1.2
65.03942	1.6
67.05509	1.6
69.03420	5.0
71.61248	1.1
77.03910	0.9
79.05499	6.5
81.03416	1.9
82.04227	0.9
85.02902	8.1
91.05482	2.3
93.07003	1.0
95.04951	1.3
97.02924	1.2
99.04435	1.0
103.05447	1.3
104.42439	0.8
105.07030	1.8
107.04960	13.0
110.03640	1.6
115.05439	3.4
117.07010	3.2
123.04418	2.6
124.05186	2.2
127.03937	4.9
128.06273	0.9
129.07008	2.3
131.04909	1.7
131.08495	1.4
133.06464	2.3
137.05936	1.2
144.05702	2.4
145.06459	6.4
147.08054	0.9
152.04707	1.4
153.05463	1.4
154.06284	1.1
155.06010	1.3
157.06473	2.7
159.08044	3.8
161.05954	3.9
162.15993	0.9
167.07045	33.8
172.05176	12.2
173.05971	4.5
175.07578	2.4
177.05415	1.5
181.04951	35.5
183.06570	1.2
185.05989	1.2
187.07530	3.9
189.03882	1.0
189.05472	3.5
190.06258	2.3
195.06575	1.5
200.04678	6.5
201.05457	3.5
205.08594	2.7
206.05756	1.5
217.08626	2.2
218.05730	10.9
219.06517	1.6
219.10233	2.2
221.08052	3.1
233.08087	100.0
235.09674	2.2
245.08115	1.6
247.07591	1.9
249.08946	1.4
251.09142	1.9
263.06537	1.9
263.09164	28.7
264.07739	1.5
279.10312	1.0
291.06528	1.0
292.07700	0.9
307.09543	2.5
323.09183	1.4
329.10321	1.2
339.12256	1.7
360.70377	0.8
367.11749	2.5
381.13235	0.9
384.12134	1.8
387.14301	3.6
399.14276	6.2
417.15439	57.7
418.15909	1.0
435.16516	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	595.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
53.03934	2.3
55.01861	3.2
57.03415	1.5
61.02910	1.8
65.03941	6.0
67.05495	1.9
69.03425	6.9
70.72147	1.7
70.72474	0.7
73.02924	1.1
78.04691	1.3
79.05062	0.7
79.05493	13.9
81.03413	3.7
81.07058	1.5
82.04193	2.3
85.02418	1.1
85.02905	16.4
87.04494	0.8
91.05460	2.0
93.03395	2.5
95.04972	4.3
97.02890	6.5
97.06516	1.7
99.04420	1.0
103.05470	2.0
105.07023	4.2
106.04163	1.0
107.04951	36.7
108.02062	1.0
109.02882	1.4
109.06542	0.9
110.03648	3.0
115.05438	3.4
117.07025	5.9
119.05013	0.9
120.49618	0.8
121.06496	1.0
122.03595	1.1
123.04453	6.1
124.05190	8.0
125.06012	4.0
127.03927	1.9
131.04955	1.7
133.06485	6.0
135.04391	0.9
137.05989	2.0
138.03072	1.5
140.04710	1.6
140.46974	0.7
142.02625	2.5
144.05719	1.2
145.05083	1.1
145.05278	1.4
145.06477	10.4
149.05956	2.3
151.03844	1.3
152.04689	2.5
153.05435	3.3
155.04916	0.9
155.06010	1.5
155.07103	1.7
161.05968	7.2
165.05453	0.8
167.07042	100.0
168.07285	0.9
171.06573	4.6
173.05977	9.3
175.03835	0.8
176.04721	1.1
177.05486	1.7
181.04959	87.8
183.06522	1.5
189.05481	1.9
190.06201	1.1
191.07039	2.3
193.08627	11.1
195.06560	1.6
201.05490	14.3
205.06700	1.4
205.08585	10.6
206.61928	0.7
207.06503	1.8
219.06422	1.5
221.08078	14.1
233.08076	18.5
235.09712	1.0
249.07533	5.7
251.09113	3.9
261.07632	2.1
285.79639	0.8
287.05457	1.2
295.09616	0.9
312.10004	0.8
319.11835	1.5
323.09067	0.9
325.11230	0.8
341.10254	0.8
343.11670	0.9
387.14383	58.0
388.14786	0.7
403.13876	27.0
415.13867	54.8
417.15448	19.0
433.14761	4.6
442.66779	0.7
595.20502	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01881	5.2
59.49699	0.8
65.03933	7.4
67.05505	3.1
69.03422	5.5
69.55762	3.8
69.56178	1.2
70.42137	0.8
71.04996	1.0
78.04694	1.3
79.05489	6.0
81.03434	2.0
81.07043	0.8
82.04179	1.7
85.02902	10.9
91.05476	8.6
93.03388	1.9
95.04961	7.9
97.02888	3.6
97.06538	1.8
100.35861	0.8
103.05472	2.0
105.07023	4.9
106.04201	1.2
107.04959	11.5
109.02936	0.8
110.03672	3.3
111.04401	1.2
114.51252	0.8
115.05456	2.0
117.07034	1.8
119.04946	12.5
121.06494	1.0
123.04430	11.2
124.05184	4.4
125.06001	2.7
127.03909	1.0
131.04929	1.2
133.06499	6.7
137.05971	1.1
138.03130	1.8
140.04681	4.0
142.02632	3.1
143.04997	0.8
145.05005	0.8
145.06485	4.1
147.04416	10.9
149.05997	2.0
149.09555	0.8
152.04684	2.2
153.05486	2.6
155.05971	1.1
155.07045	5.4
157.03970	1.3
161.05984	8.9
167.07039	90.1
168.07431	1.4
171.06609	3.8
173.06007	3.8
175.03902	21.6
175.07564	0.9
177.05492	3.2
179.06998	1.9
181.04956	100.0
182.05327	1.1
183.06583	3.0
189.05446	3.8
191.07059	6.1
193.08633	5.0
195.06458	1.2
201.05513	4.1
205.08606	4.0
206.05627	1.1
207.06522	30.6
209.08113	2.5
221.08096	6.7
223.09598	1.2
233.08022	7.7
235.05986	1.5
235.09767	2.5
249.07588	21.8
251.09198	4.7
311.09882	0.9
319.11789	1.4
325.10562	1.0
385.12854	0.9
387.14316	15.7
403.13879	16.7
415.13889	14.5
415.40491	0.9
417.15616	5.2
433.14984	22.7
468.23254	0.9
595.20209	95.1
596.20837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91128	0.3
69.07066	0.3
69.62166	1.6
81.07048	0.3
85.02889	0.7
86.09711	0.4
91.05453	0.3
95.01076	0.3
96.01843	0.3
97.02914	0.5
97.06541	0.4
98.97560	0.3
103.05456	0.7
105.06969	0.5
106.04134	0.3
107.04955	2.0
112.01347	0.3
113.02125	0.6
115.05435	0.4
121.06512	0.7
127.03915	1.3
131.04935	0.4
135.08035	0.6
137.06000	0.8
149.05969	0.5
159.04196	0.3
161.05992	1.2
163.03970	0.3
163.07571	2.0
163.08739	0.3
167.03281	0.4
167.07071	1.7
172.95306	0.3
177.05495	0.5
181.08582	0.6
185.04181	1.5
189.05269	0.6
189.09087	0.6
191.07152	0.3
203.03377	0.7
203.05255	11.6
204.07547	3.1
217.04933	0.3
232.07079	4.7
233.08022	0.6
355.98303	0.3
381.28033	0.3
383.14661	4.7
413.15768	1.6
431.16772	0.3
593.22040	100.0
594.22229	1.5
614.15820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.52959	0.4
57.03425	1.5
61.02928	1.7
61.03179	0.3
66.84122	0.3
68.99792	0.4
71.04995	10.0
71.50281	0.3
71.61629	0.5
72.13647	0.4
73.02905	1.0
75.04484	0.6
83.04975	0.7
85.02905	12.6
87.04519	0.4
91.03937	0.8
97.02872	0.8
97.67648	0.3
107.04967	0.5
108.54189	0.4
111.00771	0.5
111.08479	0.4
118.70544	0.4
121.02884	2.4
123.04416	0.8
127.03910	0.4
129.05469	3.1
133.02859	1.1
137.02394	0.6
137.05975	8.0
145.04955	0.5
147.04471	0.6
147.06537	0.7
153.01842	2.9
161.02306	1.3
165.01831	1.6
167.03404	6.8
183.02881	0.9
185.05957	0.5
213.05560	0.9
213.47659	0.4
231.06534	0.6
241.04895	0.8
255.06483	0.7
258.05252	0.7
259.09705	2.2
287.05502	100.0
288.05896	1.1
299.05280	0.4
315.08643	0.7
333.09756	4.2
413.08542	0.4
449.10730	0.9
595.22284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03946	0.4
55.01863	0.2
57.03439	1.9
61.02919	0.5
67.05499	0.2
68.99790	0.4
69.03427	1.4
69.36084	0.5
69.36497	0.9
71.01330	0.2
71.04994	9.9
73.02907	0.4
75.04472	0.4
81.03407	0.6
83.04974	0.7
85.02903	14.1
87.04456	0.4
91.61897	0.2
94.71442	0.2
95.03080	0.1
97.02893	1.2
98.21507	0.4
99.04477	0.3
105.03411	0.3
107.04973	0.3
109.02883	0.4
111.00798	0.5
111.04440	0.3
119.01794	0.2
121.02866	2.1
123.04428	0.2
127.03900	0.6
129.05484	3.1
129.06912	0.2
131.53741	0.2
133.02895	0.5
137.02330	0.6
137.05965	1.0
145.02840	0.5
145.04936	0.8
147.04402	0.5
147.06535	0.9
153.01825	2.8
153.02953	0.2
165.01805	1.3
167.03398	3.8
167.06967	0.2
177.05438	0.4
181.05013	0.3
183.02908	0.7
185.05992	0.3
189.05545	0.2
190.25783	0.2
203.07147	0.2
213.05463	1.1
231.06503	0.4
241.04980	0.3
252.11357	0.2
258.05368	1.0
259.06082	0.5
269.04544	0.2
287.05493	100.0
288.05902	0.6
317.10172	2.5
333.09802	0.3
343.10114	0.2
425.20969	0.2
449.11050	0.4
595.25305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
56.05051	3.7
57.07085	2.4
60.04522	1.7
61.25648	1.5
66.52817	1.5
67.05501	13.3
68.81461	1.4
69.03444	2.5
69.07089	4.2
70.10350	7.4
71.04996	3.4
79.05486	13.9
81.03417	3.3
81.07057	14.0
82.06583	6.1
83.08619	3.5
87.04436	2.1
90.49375	1.7
91.05482	5.9
93.07044	22.1
94.06566	20.7
95.04973	2.2
95.08612	23.5
96.08139	2.3
97.06538	5.7
97.10198	2.6
105.07049	13.5
107.07361	1.9
110.09016	1.8
110.09666	10.9
111.08102	12.4
119.08589	2.8
122.09669	35.8
123.08077	26.2
128.10710	31.0
140.10707	100.0
141.09123	12.7
157.32144	1.6
158.11768	6.5
160.33231	1.7
180.35353	1.9
238.98824	1.9
262.62384	1.7
272.25851	9.2
313.45432	2.1
382.33258	8.9
382.37445	2.0
394.33203	21.0
412.34235	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12263	0.6
69.86035	0.5
71.09719	1.4
87.00273	0.5
91.05476	0.6
95.01096	1.0
105.07031	1.1
112.01363	0.5
113.02144	1.6
124.17150	0.5
133.06433	1.0
137.05975	0.8
165.09131	0.5
185.04214	2.8
189.05234	1.3
193.08606	2.3
193.67958	0.5
194.95137	0.5
201.03745	1.6
203.05266	10.2
211.09698	0.8
219.06331	2.2
234.08646	13.9
235.09480	1.9
296.18945	0.5
383.14655	4.7
413.15802	0.6
445.04221	0.6
460.84988	0.6
468.86179	0.6
593.22046	100.0
594.22876	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	593.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20398	0.6
55.44997	0.7
55.64354	0.6
71.61689	1.0
71.62066	0.9
86.96046	0.6
95.01064	1.5
113.02147	1.4
142.21774	0.7
153.93369	0.7
167.07182	0.7
185.04225	2.6
185.87898	0.7
189.05301	1.5
193.08662	1.3
201.03670	3.1
203.05217	4.0
204.64513	0.8
211.09882	1.0
218.72612	0.7
219.06340	2.4
234.08607	16.9
235.09352	4.1
238.32565	0.7
300.54669	0.7
300.66727	0.7
381.11456	1.1
383.14621	6.0
413.15173	0.8
415.48767	0.8
545.72705	0.8
593.22009	100.0
594.22284	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	591.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44809	0.4
54.07482	0.4
54.14789	0.5
69.45987	3.4
82.75194	0.4
83.01120	0.7
85.02924	1.1
91.05482	0.9
95.01086	2.4
95.04984	0.5
95.08634	0.5
96.01871	0.6
97.02821	0.4
98.97602	0.8
109.22927	0.4
112.01316	0.6
113.02137	1.6
133.02881	0.6
137.05992	0.8
141.05304	0.5
149.06039	0.6
161.06145	0.4
177.05466	0.5
185.04207	3.0
201.03696	7.0
202.06038	0.9
203.05244	5.7
209.08163	0.7
217.04825	1.8
232.07054	13.5
233.07813	4.5
335.19040	0.5
381.13016	5.7
401.28598	0.4
411.13901	1.2
430.41400	0.4
530.25433	0.5
591.20453	100.0
592.20630	0.9
598.41089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85496	0.6
70.85861	1.2
81.07059	0.6
83.01083	1.1
89.00742	0.5
91.05496	0.5
95.01088	1.9
96.01865	0.8
98.21329	0.5
106.04208	0.7
112.01369	0.9
113.02139	2.3
121.06587	0.6
137.05986	0.8
149.06007	1.1
161.05972	0.6
167.03091	0.8
185.04240	3.5
201.03696	5.7
202.06050	0.8
203.05293	5.8
203.06888	0.7
206.18007	0.4
217.04788	1.4
232.07069	14.8
233.07852	4.5
310.95392	0.5
381.12970	6.1
411.14252	0.7
591.20453	100.0
592.20807	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51298	1.5
53.03954	2.3
55.05505	13.9
57.03429	7.6
57.07078	32.9
58.43389	2.0
65.04893	1.6
67.05506	45.7
68.15561	1.8
69.07063	14.5
69.90347	1.4
70.90809	4.8
71.08629	19.5
79.05495	27.6
81.07060	53.8
83.08621	12.5
85.10178	10.1
91.05463	16.0
93.07044	33.0
95.08604	46.1
97.06550	1.9
97.10164	5.2
99.08137	2.3
105.07033	9.6
107.08591	23.6
109.10164	21.7
117.07021	3.5
119.08575	9.1
121.06631	1.4
121.07680	1.8
121.10136	19.3
123.08103	2.5
123.11716	11.3
131.08585	11.5
133.10146	7.9
135.11697	14.2
135.46278	1.5
137.13263	4.9
145.10118	9.4
147.11687	5.3
149.13243	9.8
153.12836	1.9
154.95230	1.9
159.11696	6.2
161.13248	6.4
163.14795	8.4
163.97835	1.6
173.13234	9.6
187.14870	4.4
201.16243	2.2
233.22655	2.5
239.23717	6.0
243.21150	13.9
261.22153	57.6
272.37488	1.7
279.23074	3.8
313.27368	100.0
317.24634	10.2
335.25803	64.2
573.48669	24.5
591.50061	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	591.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.4
69.03423	1.1
69.23830	4.5
71.04964	0.6
73.30116	0.4
79.05508	0.8
79.97215	0.4
81.03442	2.4
81.07037	0.7
82.77306	0.4
83.04977	0.7
83.08615	0.4
85.02891	1.6
87.46074	0.4
91.05473	1.6
93.07050	0.8
94.99765	0.4
95.01110	1.2
95.04942	0.7
97.02897	1.9
97.82310	0.5
103.05486	0.7
105.07055	0.5
106.04176	0.8
112.01362	0.7
113.02151	1.1
121.06550	0.8
127.03928	0.7
133.06499	0.5
134.03651	0.5
137.05936	0.6
141.01729	0.5
147.04454	0.5
149.05989	1.5
157.04767	0.7
175.11327	0.6
177.05528	0.5
185.04243	2.7
193.12296	1.7
201.03705	3.1
202.06068	1.0
203.05276	11.4
209.08148	0.5
211.13351	2.5
217.04778	1.7
232.07066	10.3
233.07886	1.6
250.47273	0.5
256.27371	0.5
263.00797	0.4
267.15958	0.6
285.17007	1.2
303.04962	0.5
313.51733	0.5
381.12961	2.7
411.13913	0.5
411.20184	0.5
429.21347	0.7
576.18622	0.4
591.20490	100.0
592.20880	1.2
609.54193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	0.4
69.03423	1.1
69.23830	4.5
71.04964	0.6
73.30116	0.4
79.05508	0.8
79.97215	0.4
81.03442	2.4
81.07037	0.7
82.77306	0.4
83.04977	0.7
83.08615	0.4
85.02891	1.6
87.46074	0.4
91.05473	1.6
93.07050	0.8
94.99765	0.4
95.01110	1.2
95.04942	0.7
97.02897	1.9
97.82310	0.5
103.05486	0.7
105.07055	0.5
106.04176	0.8
112.01362	0.7
113.02151	1.1
121.06550	0.8
127.03928	0.7
133.06499	0.5
134.03651	0.5
137.05936	0.6
141.01729	0.5
147.04454	0.5
149.05989	1.5
157.04767	0.7
175.11327	0.6
177.05528	0.5
185.04243	2.7
193.12296	1.7
201.03705	3.1
202.06068	1.0
203.05276	11.4
209.08148	0.5
211.13351	2.5
217.04778	1.7
232.07066	10.3
233.07886	1.6
250.47273	0.5
256.27371	0.5
263.00797	0.4
267.15958	0.6
285.17007	1.2
303.04962	0.5
313.51733	0.5
381.12961	2.7
411.13913	0.5
411.20184	0.5
429.21347	0.7
576.18622	0.4
591.20490	100.0
592.20880	1.2
609.54193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.5
57.03444	20.1
57.07076	43.4
67.05501	24.5
69.07063	11.1
71.08627	34.1
71.34935	6.3
71.43630	3.2
79.05479	16.9
80.05785	3.8
81.03417	67.2
81.07055	27.4
83.04954	4.3
83.08625	23.2
84.08972	3.6
85.10191	10.6
91.05478	23.4
91.55211	3.4
92.05786	5.3
93.07035	15.2
95.04973	17.2
95.08611	24.3
96.08929	5.5
96.21913	2.8
97.02898	3.9
97.10165	8.1
105.07008	21.9
107.04926	6.4
107.08575	6.8
108.08907	3.2
109.06543	4.7
109.10168	10.6
111.04472	3.9
111.08036	4.0
117.07013	4.1
119.08579	22.8
120.08953	3.4
121.10110	7.3
122.10439	4.1
123.11703	3.5
129.06956	7.9
131.08557	5.8
132.35838	3.1
133.10132	6.0
135.11705	4.7
141.92265	3.0
145.10147	6.4
147.11678	9.8
149.13266	3.9
157.10097	7.7
161.13231	4.4
161.68561	3.4
175.11147	7.7
193.12206	21.3
232.21309	3.3
234.42195	3.2
241.19362	4.0
242.19891	6.4
259.20599	8.9
260.21045	10.4
267.15906	98.6
285.59299	3.7
293.91513	3.2
313.27374	100.0
314.27594	20.6
329.05966	3.0
329.10706	3.7
333.24295	3.6
334.24637	4.5
338.08942	3.3
363.91766	3.8
441.58368	3.0
442.11963	3.3
449.13388	3.1
471.06042	3.0
505.38864	68.5
590.48706	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	590.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72007	4.3
53.31977	4.2
54.41283	4.0
55.05499	13.1
57.03442	16.2
57.07084	28.9
61.40300	4.6
67.05515	25.6
68.41255	3.8
69.07061	11.3
71.08630	35.9
71.22420	9.8
79.05500	12.9
81.03418	59.7
81.07056	24.2
83.08604	20.9
85.10181	7.6
91.05469	15.0
93.07053	14.1
95.04978	21.6
95.08617	28.8
97.10148	10.3
105.07030	15.3
105.15525	4.1
107.04951	7.8
107.08609	7.7
109.10155	11.5
111.08073	6.1
119.08601	14.2
121.10127	7.3
123.11707	5.5
126.24255	4.2
129.07016	7.2
131.08540	5.7
147.11685	8.1
149.25394	4.3
157.10114	5.9
161.13272	5.0
163.23026	4.8
175.11115	6.4
182.58119	4.0
193.12274	27.4
202.65213	3.9
246.82457	4.7
249.15100	5.1
260.21130	4.4
267.15921	93.5
313.27356	100.0
313.76938	4.8
505.38959	74.4
505.74103	5.2
590.48035	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.05510	21.3
56.31528	2.3
57.03444	14.9
57.06812	4.4
57.07074	51.5
59.01102	2.4
60.02948	2.5
67.05161	4.1
67.05502	58.4
69.07072	20.7
71.04974	2.9
71.08625	43.5
79.05497	44.3
81.07050	56.9
83.04951	3.9
83.08625	18.7
85.06534	4.3
85.10181	21.4
91.05472	55.5
93.07030	44.2
95.04977	6.1
95.08604	53.8
97.06522	3.6
97.10155	7.4
98.20710	7.9
99.08103	5.1
103.05436	2.8
105.07033	58.2
107.08590	32.0
109.10130	22.5
117.07015	16.2
119.08577	48.3
121.10122	20.1
123.11700	6.9
128.06212	2.8
129.06972	12.5
131.08557	21.6
133.10127	41.5
135.11679	19.7
137.05855	2.5
137.13240	3.8
137.96072	2.3
141.89571	2.5
143.08546	7.9
145.10127	22.5
147.11681	38.5
149.13246	15.4
151.11194	4.5
157.10103	10.8
159.11685	19.9
161.13249	40.0
163.11186	3.9
163.14876	4.3
171.11661	19.7
173.13255	11.0
175.14796	13.3
179.14374	6.4
185.13272	11.0
187.14772	5.1
199.14815	7.5
213.16400	3.6
217.19556	5.3
229.55669	3.4
231.21092	8.5
239.23656	6.5
241.19501	37.6
259.20584	86.6
277.21649	10.8
298.97348	2.5
313.27356	100.0
315.22919	3.8
333.24258	49.8
491.93961	3.4
571.47015	9.2
589.48718	23.7
604.88977	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	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.6
57.03423	8.7
57.06821	3.8
57.07077	50.3
67.05508	36.6
69.07070	18.9
71.08632	34.2
71.60424	3.6
79.05488	37.7
81.07053	44.1
83.08621	20.2
85.10171	12.7
88.70164	2.9
91.05485	50.8
93.07040	36.5
95.04988	3.4
95.08044	4.0
95.08608	51.3
96.40768	2.8
97.06533	2.9
97.10184	5.8
105.07035	50.6
107.08596	24.8
109.10149	20.7
117.07010	12.9
119.08590	41.8
121.10138	21.2
123.11682	6.5
129.06979	6.3
131.08563	17.2
133.10133	40.0
133.57173	3.0
135.11702	14.4
138.53436	2.8
143.08586	7.4
145.10095	16.2
147.11699	41.7
149.09528	2.6
149.13225	10.5
151.11186	2.9
157.10141	8.8
159.11674	17.5
161.13275	32.0
163.11209	2.6
163.14836	5.3
163.65678	3.1
171.11703	14.9
173.13211	7.2
175.14816	12.7
177.42067	2.7
185.13242	15.4
199.14824	9.6
205.47398	2.5
231.20987	10.8
239.23782	3.2
241.19524	35.4
259.20569	86.0
277.21533	6.9
313.27356	100.0
315.23135	6.0
333.24216	50.5
571.46667	8.9
589.49030	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
53.81194	1.5
55.05509	28.9
55.67472	1.5
57.03435	12.7
57.07078	66.4
58.11738	1.6
60.90538	2.0
61.39633	1.7
61.51014	1.7
65.03944	4.7
67.05507	69.8
69.07068	28.6
71.04987	2.1
71.08636	55.1
71.22639	2.5
71.22963	1.8
71.77776	1.8
79.05494	48.6
81.03407	6.9
81.07056	75.9
82.31086	1.8
83.04977	4.7
83.08620	22.4
85.06535	5.1
85.10169	19.4
91.05480	59.8
93.07047	60.6
94.84774	1.7
95.04969	9.2
95.08611	64.5
97.05886	1.5
97.06508	5.4
97.10181	10.4
99.08087	10.0
103.05475	1.7
105.07032	63.2
107.04971	4.0
107.07944	2.9
107.08598	32.6
109.06516	5.0
109.09547	2.2
109.10176	25.9
111.08070	2.4
113.09643	2.2
117.07021	14.4
119.08585	55.5
121.05460	2.0
121.10146	28.8
123.11717	8.7
125.09621	2.0
129.07036	9.6
131.08575	22.3
133.10130	42.7
135.08122	2.3
135.11699	27.3
137.09546	1.8
137.13260	2.6
139.11307	1.7
143.08545	7.7
145.10143	17.9
147.11693	44.0
149.09602	4.3
149.13300	13.5
151.11188	8.0
157.10103	10.0
159.11705	21.5
161.13264	36.5
163.11195	6.4
163.14845	4.8
171.11662	13.2
173.13246	11.6
175.14832	18.9
177.12762	3.8
179.14325	43.3
185.13269	12.3
187.14873	4.2
189.12743	3.1
189.16316	3.1
199.14839	8.3
213.16348	2.5
215.18008	2.7
217.19460	2.0
231.21014	10.8
235.16881	1.9
239.23717	5.3
241.19511	42.5
257.24799	1.9
259.20587	96.8
260.02673	1.8
267.15814	2.0
277.21637	40.5
295.22485	2.5
313.27359	100.0
314.27722	3.0
315.23120	5.0
333.24237	45.5
351.25299	2.1
459.34000	1.7
497.43475	2.3
571.47229	8.4
589.48486	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
59.02752	1.6
60.20207	1.7
69.03421	2.3
69.90354	1.6
70.56640	6.5
78.04697	2.2
79.05505	2.9
85.02909	4.5
91.05480	11.8
93.07067	3.4
95.04971	3.4
98.97560	2.8
103.05443	9.0
105.07049	6.6
106.04204	5.6
107.04952	18.2
107.88172	2.0
109.02836	3.0
119.04952	4.4
121.06504	10.9
123.04449	3.1
124.62148	1.8
125.05985	2.2
129.06992	4.9
131.04929	7.5
131.08560	2.0
132.05760	3.0
133.06480	5.5
135.08109	4.1
136.79747	1.9
137.06001	6.0
146.07234	4.6
148.05173	5.1
149.05978	12.5
151.07558	3.6
153.09122	3.6
157.06464	2.8
161.05983	90.6
161.09608	22.6
163.07562	19.2
167.07063	28.5
174.06799	4.3
175.07599	4.6
177.05447	9.8
177.09058	2.7
179.07062	3.3
180.07878	4.5
181.08597	22.8
189.09114	60.3
191.07021	9.7
192.07837	6.7
193.08647	5.7
195.10330	1.9
207.10172	100.0
209.08066	16.3
219.10193	4.1
233.46568	2.0
278.10291	2.2
285.11304	2.4
315.12122	3.9
317.13916	7.4
341.13727	2.0
343.15378	9.6
361.16489	34.1
373.16379	5.7
514.18573	2.3
588.08264	4.7
588.26709	2.9
589.18958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
54.77566	2.7
54.94304	3.0
55.01860	5.5
55.05516	16.0
57.03439	10.2
57.07076	36.4
63.34213	3.4
67.05508	28.8
69.07072	17.6
70.80956	8.0
71.04987	9.0
71.08643	22.6
79.05500	24.9
81.03439	21.0
81.07064	35.9
82.07381	3.0
83.04977	9.6
83.08629	14.2
85.02927	2.9
85.06555	5.3
85.10184	11.7
87.02032	2.6
91.05479	21.7
93.07047	28.3
95.04974	7.6
95.08604	28.1
97.02908	7.5
97.06519	8.2
97.10173	7.6
105.07024	13.1
107.04957	12.4
107.08612	16.1
109.06521	7.0
109.10163	15.6
111.04465	21.3
111.08067	3.3
117.07019	9.8
119.08583	16.1
121.06509	6.8
121.10147	13.2
123.08096	5.4
123.11690	3.1
125.05992	6.0
129.06964	4.7
131.08557	9.9
133.10123	4.3
135.11687	14.6
145.10114	14.9
147.08038	3.9
147.11671	3.4
148.11842	3.0
151.88919	2.7
153.12772	3.9
161.13222	3.2
163.11223	21.5
173.09579	6.4
181.12312	4.0
185.23012	3.3
191.10641	10.7
201.52969	2.8
209.11737	7.9
222.20625	2.6
223.13309	20.0
227.12758	5.0
241.14389	45.8
259.20578	5.2
265.14365	10.2
276.20398	4.4
283.15500	19.8
313.27390	100.0
315.18011	38.4
358.74384	2.8
367.98126	3.4
400.75256	2.9
503.37415	10.3
521.38397	50.3
553.41034	41.5
588.46979	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	588.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
71.11416	3.4
78.04714	1.5
79.05499	2.8
85.02910	1.8
91.05482	12.9
93.03403	3.1
93.07027	5.0
95.04958	1.8
97.00433	1.3
98.97553	1.4
100.44175	1.3
103.05490	10.4
105.07039	6.4
106.04183	5.0
107.04951	19.2
115.05437	2.1
117.07024	1.8
118.04223	2.1
119.04951	3.4
121.06509	9.8
122.58842	1.4
124.03900	2.1
127.03986	1.5
129.07018	5.6
131.04910	7.8
131.08536	3.5
132.05728	3.1
133.06479	4.1
134.03569	1.7
135.08028	4.9
137.05998	6.6
145.06528	1.5
146.07266	3.0
147.04382	1.7
148.05170	5.2
149.06004	11.2
151.03870	1.6
151.07501	4.1
153.09106	3.5
157.06505	3.4
161.05981	100.0
161.09607	24.4
163.07547	20.8
165.05368	1.9
167.07054	33.4
173.06091	2.2
173.54326	1.3
174.06798	3.5
175.07550	7.1
177.05449	7.3
177.09015	1.7
180.07854	5.0
181.08601	19.1
189.09114	63.3
191.07013	12.6
192.07809	2.2
193.08611	5.4
206.62929	1.4
207.10173	89.9
209.08089	18.0
219.10193	4.4
225.09082	1.8
257.11929	1.5
273.11325	2.4
283.09729	2.0
283.13242	1.8
285.11258	4.5
315.12354	3.9
317.13803	5.1
329.13803	1.7
341.13705	4.1
343.15298	9.6
347.75394	1.5
361.16470	27.5
373.16339	4.5
588.08521	3.8
606.15857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19426	1.4
52.55156	1.5
67.05479	1.5
69.47858	12.4
69.83645	1.5
79.05478	2.5
85.02926	1.6
86.09714	2.3
91.05489	5.1
98.97640	1.6
103.05439	4.5
105.07051	14.0
118.04134	3.1
119.04942	6.6
121.06490	2.5
123.04466	1.8
123.08109	3.1
131.04926	5.9
133.06490	13.9
135.08057	2.2
137.05992	6.0
147.04414	3.1
149.05963	2.2
150.06783	10.5
151.07555	3.7
158.99763	2.2
161.06003	3.9
163.07512	3.0
165.09126	13.7
167.07080	7.4
179.07062	6.2
193.06831	2.6
193.08614	53.1
211.09666	100.0
274.32025	1.5
341.13779	4.0
588.26544	1.8
607.16870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21192	1.7
55.05498	2.8
67.05500	2.5
69.03423	2.3
69.07076	1.7
69.62095	10.5
69.66252	1.3
79.05493	4.4
81.07051	2.5
82.09764	1.4
85.02905	6.2
86.86665	1.3
91.05486	6.1
93.07034	3.5
95.04949	1.4
95.08602	3.4
97.02892	3.5
98.06078	2.8
98.21548	2.5
98.97591	3.0
103.05473	9.5
105.07040	18.0
107.08579	3.4
109.02851	3.1
109.06516	1.9
109.10157	2.5
115.05475	1.5
116.98640	1.8
118.04160	5.6
119.04963	4.7
121.10144	3.9
123.08078	2.7
126.05552	7.2
127.03938	3.8
131.04939	18.2
133.06488	20.6
135.08060	3.6
137.05972	20.1
145.04926	2.4
147.04416	6.6
149.05997	4.0
150.06801	10.8
151.03836	1.9
151.07559	3.6
152.08363	2.1
161.06015	3.3
163.07539	25.7
165.09120	13.0
167.07053	11.2
172.06061	16.7
177.16373	4.0
179.07016	7.1
181.08615	2.2
186.07622	2.1
193.08617	49.9
211.09671	100.0
242.09985	1.7
246.14787	3.0
257.23306	1.7
299.10202	3.0
341.13757	5.5
358.11429	2.4
374.14340	3.7
375.14401	4.9
376.12436	6.1
394.13327	8.0
597.69061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04320	2.3
61.84675	2.3
75.66304	2.2
77.00870	2.5
79.05478	6.1
79.96255	2.2
86.09711	6.3
89.47598	2.4
91.05488	7.8
102.32518	2.6
103.05466	3.6
105.07013	13.7
107.04922	3.0
114.11597	2.3
118.04234	3.0
119.04957	3.3
123.08034	2.9
131.48889	2.3
133.06519	13.1
135.08072	3.3
137.06046	6.2
147.04413	3.2
150.06767	9.3
151.07541	3.8
163.07542	6.8
165.09123	10.7
167.07033	14.4
168.07376	2.5
179.07047	3.6
193.08620	37.8
200.94005	2.6
202.10820	3.3
211.09662	100.0
217.81807	3.2
217.93414	2.6
237.88484	2.5
253.40088	2.7
309.69315	3.0
309.73230	2.6
403.91278	2.6
433.57147	2.8
588.29047	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	587.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05526	6.8
56.96572	1.2
57.03433	1.3
67.05507	16.0
68.64219	1.0
69.07070	6.2
69.99658	6.0
71.05000	1.2
79.05493	15.5
81.03439	2.7
81.07059	19.1
83.04995	1.1
83.08619	8.0
85.26653	1.2
91.05480	13.7
91.06008	1.9
93.07053	22.1
94.26102	0.9
94.50726	1.0
95.04952	5.3
95.08600	12.6
96.37666	1.0
97.06552	2.5
97.10172	2.9
98.20753	2.0
99.08084	1.8
102.05872	0.9
105.07033	6.9
107.04945	1.6
107.07936	1.8
107.08597	16.0
109.06521	1.4
109.10138	6.5
111.08045	2.3
113.09631	1.4
117.07032	2.9
119.08589	9.4
120.47212	1.0
121.06578	1.1
121.10145	24.5
123.04453	3.6
123.08051	3.7
123.11687	1.3
125.09662	2.8
129.07010	1.6
131.08551	6.4
133.10150	10.5
135.08064	2.8
135.11708	12.7
137.09613	8.7
143.08498	1.6
145.10132	4.3
147.11731	6.2
149.09583	5.6
149.13269	1.5
151.11119	5.5
153.01805	1.7
153.09090	4.3
157.10092	2.7
159.11702	1.7
161.13177	1.6
163.11134	1.8
165.12677	1.5
171.11690	3.6
176.76079	1.2
189.12781	1.3
203.18057	1.3
207.13898	1.4
213.16469	5.5
221.19000	1.3
230.30406	1.1
231.17424	9.2
235.13277	3.8
249.18507	100.0
250.18892	2.0
267.19559	36.7
285.20547	8.6
309.16995	3.9
313.94608	1.1
316.02734	1.3
335.25757	5.1
359.17120	3.6
359.21365	1.2
359.67456	1.7
383.64670	1.3
495.16562	5.6
527.30090	1.6
544.23669	1.5
545.31403	4.4
569.38428	2.8
584.60913	1.2
587.32806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
61.02918	6.3
67.05498	9.2
68.86375	3.4
69.03416	2.8
69.07068	5.6
69.70245	13.7
69.70660	4.4
71.04993	3.3
73.02917	22.4
79.05489	5.5
81.07079	15.4
83.04949	2.4
83.08639	3.2
84.94016	2.3
85.02890	10.2
91.05466	6.4
93.07053	20.4
95.08611	37.7
97.06580	2.5
98.21470	3.6
105.07008	14.2
107.08591	31.3
109.10156	16.4
115.03959	4.4
119.08588	29.5
121.10141	29.8
123.11704	7.9
131.08559	13.1
133.10141	19.7
135.11691	17.3
137.13255	2.9
143.08640	2.6
145.10115	21.2
147.11687	11.3
149.13246	7.0
159.11684	18.3
161.13258	9.7
163.14813	9.1
167.41365	2.6
171.11702	3.9
173.13269	8.7
175.14825	12.7
177.16356	9.8
185.13304	3.9
187.14816	13.4
189.16380	17.6
191.17960	100.0
197.13226	2.7
199.14825	3.7
201.16382	51.9
203.17935	19.9
215.17906	8.1
217.19530	5.9
229.19524	5.5
241.19843	3.2
245.15369	2.9
247.16946	24.6
255.21176	3.1
274.84708	2.7
391.33484	6.8
409.34769	5.3
437.34143	25.0
446.56558	2.7
455.35147	2.5
570.21057	3.1
587.30383	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	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
61.02926	3.4
63.11348	2.9
67.05491	7.4
69.03414	3.7
69.07064	8.1
69.47409	26.0
71.04983	4.4
73.02903	13.7
79.05491	4.3
81.07047	14.1
83.04997	6.2
83.08620	7.1
85.02908	24.4
89.92046	3.0
91.05473	6.3
93.07040	16.0
95.08604	36.2
97.02904	6.4
98.20760	7.0
102.36537	3.1
105.07009	15.3
107.08601	24.7
109.10155	21.3
111.04443	3.0
115.03930	5.8
119.08559	35.0
121.10151	26.9
123.11701	3.1
129.05479	7.5
131.08542	11.1
133.10117	27.1
135.11713	18.9
145.10115	20.7
147.11691	16.3
149.13260	6.6
159.11649	16.7
161.13237	10.6
163.14798	11.5
167.07108	15.0
171.11632	5.7
173.13191	9.8
175.14868	17.8
177.16354	6.7
185.13341	3.8
187.14825	15.1
189.16412	20.3
189.17903	3.0
191.17949	100.0
199.14717	4.9
201.16359	47.1
203.17990	25.3
207.17390	4.1
215.17896	10.3
219.17459	4.2
229.19507	9.0
247.16887	18.7
254.28453	3.2
261.18585	5.3
279.10785	5.3
279.52011	3.8
391.33743	7.6
409.34586	7.2
437.34128	24.5
541.38885	6.2
587.20862	11.6
587.29498	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	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.05505	5.9
57.03431	4.7
57.07085	2.7
67.05508	10.6
69.03422	6.8
69.07063	15.0
69.89670	9.4
71.04982	8.0
71.23521	1.8
73.02921	22.2
79.05489	10.1
81.03389	3.2
81.07053	18.6
83.04982	4.2
83.08619	5.0
85.02916	24.7
89.31161	2.1
91.05465	10.2
93.07047	19.1
95.04950	2.2
95.08612	39.8
97.02863	3.9
97.06520	2.4
98.21459	4.5
101.06118	2.3
105.07034	23.9
107.08603	31.9
109.10155	25.5
111.04403	4.7
115.03931	5.2
117.07051	3.1
119.08588	31.3
121.10150	30.5
123.11703	6.6
129.05510	4.8
129.07034	3.5
131.08568	12.9
133.10117	24.9
135.08000	2.5
135.11710	24.8
143.08534	5.1
145.10153	21.8
147.06534	3.6
147.11681	14.1
149.13271	9.1
157.10109	5.6
159.11713	17.7
161.13263	11.4
163.14806	13.6
167.07030	2.5
171.11687	4.6
173.13304	12.4
175.14894	10.9
177.16449	10.5
185.13293	4.0
187.14857	13.1
189.16380	20.5
191.17950	100.0
199.14781	6.0
201.16379	54.3
203.17984	18.4
213.16406	3.0
215.17902	8.6
217.19496	4.7
219.13715	2.6
219.17493	3.0
221.15494	3.6
227.17848	3.4
229.19571	4.1
233.15405	3.0
235.16908	2.5
247.16971	23.6
261.18503	3.4
279.10751	4.0
289.21762	2.5
321.63257	2.5
391.14713	2.2
391.33572	6.2
409.34811	4.9
437.34204	19.1
455.26279	3.8
541.38885	2.8
587.21161	7.2
587.30359	54.1
587.39752	3.8
588.29828	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	587.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54010	2.9
55.05496	6.6
67.05499	7.7
69.07053	10.4
69.87711	13.6
73.02915	21.5
79.05476	8.5
81.07071	19.4
83.08614	4.8
85.02898	7.9
87.43336	3.4
91.05443	9.4
93.07014	20.7
95.08612	34.4
97.10175	4.1
98.21362	5.0
105.07043	17.3
107.08602	28.8
109.10127	19.3
115.03923	3.5
119.08581	34.5
121.10130	24.8
123.11715	9.3
129.06998	3.8
131.08545	11.0
133.10165	15.7
135.11668	21.2
145.10103	21.6
147.11700	15.7
149.13231	7.9
150.95494	3.2
157.10109	5.3
159.11726	18.9
161.13243	14.8
163.14842	7.5
171.11766	4.4
173.13257	13.9
175.14825	17.4
177.16367	8.3
185.13260	3.9
187.14822	12.5
189.16380	25.1
191.17952	100.0
199.14775	4.7
201.16338	39.6
203.17961	22.4
213.16284	4.5
215.17903	12.5
217.19484	3.6
219.17361	4.7
229.19662	4.0
231.77672	3.1
243.20892	3.7
247.17000	20.4
247.19096	3.4
255.21109	4.7
327.14755	5.4
348.16879	3.7
391.33542	6.8
409.34933	5.1
437.34204	25.9
546.76306	4.5
553.53326	3.3
553.83948	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	586.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48094	1.3
53.14659	1.3
55.05494	2.1
57.06817	2.2
57.07081	34.9
63.71223	1.6
63.80281	1.2
65.55715	1.4
67.05497	2.1
69.07070	3.4
70.12518	1.2
71.08636	23.0
71.61876	1.6
73.06557	8.5
83.08628	2.1
85.10188	20.6
87.04478	7.3
89.06037	100.0
93.07056	1.4
95.08609	1.9
97.10174	4.1
99.11738	3.4
107.07096	1.5
107.08599	1.7
109.10157	2.9
117.09175	6.6
119.08598	2.1
121.10217	1.9
130.08609	1.8
131.07016	2.0
131.08511	1.7
133.08607	58.9
143.89899	1.3
155.17989	4.0
161.11790	1.8
177.11211	20.7
199.20616	4.0
221.13832	4.3
239.14819	1.6
243.23257	10.2
250.90662	1.4
287.25842	5.2
415.25638	4.7
569.42560	8.1
586.44965	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	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.1
55.15771	3.0
57.03434	4.5
67.05499	11.1
67.73674	3.0
69.03423	8.7
69.07062	9.7
70.02273	2.8
71.04980	11.0
73.02910	25.6
79.05493	9.0
80.89507	3.0
81.03412	4.3
81.07055	18.7
83.04990	6.5
83.08607	7.0
85.02912	27.9
91.05470	5.6
93.07023	21.4
94.95647	3.1
95.08596	37.9
97.02885	8.1
105.06995	20.1
107.08586	33.9
109.10152	21.5
111.04437	5.4
115.03920	10.6
117.07076	5.0
119.08576	35.1
121.10126	31.2
123.11713	7.7
129.05469	9.8
131.08589	11.3
133.10130	22.6
135.11696	18.9
145.10107	22.3
147.06552	6.3
147.11682	16.9
149.13266	12.8
159.11789	14.6
161.13269	8.9
163.14844	15.5
167.63467	3.1
173.13297	13.2
175.14824	14.0
177.16370	7.0
185.13382	3.7
187.14787	16.0
189.16374	20.7
191.17947	100.0
199.14777	6.5
201.16397	47.6
203.17923	23.8
215.17940	13.3
217.19547	7.3
221.15541	3.6
225.07730	3.5
229.19437	4.6
241.19388	3.5
247.16972	23.2
275.20132	3.2
279.10782	6.3
391.33801	4.4
409.34311	6.0
437.34109	24.3
541.38849	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	585.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47459	3.9
55.01884	3.8
55.05498	12.1
57.03440	5.1
60.13031	3.5
61.02906	6.8
67.05519	25.9
69.03430	12.9
69.07066	14.9
69.36215	36.2
71.05012	5.0
73.02911	31.9
79.05492	22.3
81.03423	5.3
81.07056	46.6
83.04959	4.0
83.08623	8.4
85.02892	20.6
91.05478	24.5
93.07043	57.0
93.95629	3.8
95.04957	6.2
95.08605	86.1
97.02887	9.1
97.10132	3.9
105.07037	52.6
107.08595	69.2
109.06508	6.7
109.10159	66.8
111.08078	11.7
115.03911	9.6
117.06990	8.6
119.08581	94.7
121.06502	4.9
121.10135	47.7
123.11716	12.2
125.09636	4.0
131.08578	36.0
133.10126	48.3
135.08087	5.1
135.11716	30.3
143.08549	16.0
145.10124	65.4
147.11681	47.4
149.09590	4.6
149.13263	64.1
155.08554	6.7
157.10112	25.0
159.11693	56.0
161.13235	42.2
163.07545	7.9
163.14810	16.1
169.10094	9.7
171.11684	15.4
173.13268	41.7
175.14825	32.1
177.09093	4.7
177.16394	14.6
181.10391	4.3
183.11711	13.8
185.13272	17.3
187.14796	29.8
189.16370	50.3
191.14278	6.3
191.17911	27.9
197.13292	8.3
199.13234	4.8
199.14806	28.4
201.16373	100.0
203.17937	28.4
205.15955	4.6
207.17450	14.5
211.14828	7.3
213.16374	15.6
215.17900	20.8
217.15736	5.0
219.13747	4.4
219.17395	6.9
221.13293	5.0
223.14661	4.7
225.16344	6.9
227.17947	10.3
231.13834	5.2
233.15248	5.4
239.17833	5.7
241.19415	5.8
245.15492	11.5
247.16904	23.1
253.19514	9.1
259.16833	5.3
267.21014	9.0
273.18771	4.7
299.20084	6.1
327.23053	6.7
341.24579	7.8
389.31976	13.4
391.33649	8.4
395.29471	13.4
407.33084	18.6
423.32541	10.3
435.32639	69.3
453.33566	27.2
585.27283	26.4
585.37445	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	585.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01860	12.6
55.05511	32.2
57.03431	15.0
57.07072	6.8
57.38188	4.4
61.02916	7.4
67.05507	37.1
69.03419	14.0
69.07063	18.7
71.04977	7.0
71.62306	4.4
73.02916	51.1
79.05490	34.8
81.03424	25.3
81.06615	7.1
81.07046	52.6
83.04979	9.9
83.08606	19.0
85.02888	30.7
85.06544	4.3
91.05482	39.3
93.07043	46.7
95.04987	26.7
95.08611	56.3
97.02882	11.9
97.06541	7.3
97.10155	11.0
103.05473	5.8
105.07025	61.8
107.04963	13.6
107.08598	60.0
107.82942	3.5
109.02879	75.4
109.06515	9.3
109.10159	41.7
111.04407	6.5
111.08049	5.8
115.03917	5.8
115.05447	4.5
117.07006	16.6
119.07777	6.8
119.08579	100.0
121.06526	10.0
121.10145	49.5
123.04407	4.8
123.08035	4.6
123.11693	15.5
125.09636	6.8
127.03932	4.2
128.06279	6.3
129.07001	15.0
131.04939	12.2
131.08557	31.9
133.06483	10.4
133.10133	43.5
135.08011	5.3
135.11700	35.8
137.05943	5.9
137.13229	9.0
141.06999	6.4
142.07794	5.3
143.08571	16.4
145.06474	12.7
145.10121	55.7
147.04446	9.1
147.08049	7.6
147.11681	36.3
149.06026	6.9
149.09615	6.1
149.13234	19.5
151.03870	4.7
151.07513	4.7
152.04253	4.6
153.05505	3.5
155.08557	8.6
157.06454	4.5
157.10143	29.1
158.10910	4.6
159.08020	6.3
159.11703	41.1
161.06018	18.0
161.09688	6.6
161.13239	30.1
163.07599	8.1
163.11168	9.3
163.14824	13.9
167.07047	56.5
168.07384	27.8
169.10175	6.6
171.11725	19.2
173.05905	6.8
173.09613	4.6
173.13272	24.8
173.26591	4.2
175.07558	5.2
175.11179	4.6
175.14850	21.6
177.12714	4.4
177.16367	12.6
179.14453	4.8
183.08011	6.7
183.11719	12.7
185.09483	4.1
185.13245	24.1
187.07535	7.7
187.14824	37.5
189.05489	13.4
189.16386	74.9
191.06960	5.5
191.14384	3.9
191.17969	51.5
193.12254	10.4
197.13225	6.6
199.11194	4.9
199.14861	37.0
201.16402	43.2
203.17949	23.8
205.12350	4.6
207.17468	6.1
209.13252	5.0
211.07774	4.3
211.09665	5.6
211.13210	9.7
211.14964	6.5
213.16374	16.9
215.14307	5.1
215.18004	11.7
225.16533	4.2
227.17972	10.5
229.15892	8.2
231.13818	10.4
233.15382	4.9
241.19408	4.7
243.21091	7.1
243.66646	3.9
245.15439	15.7
247.16920	10.7
253.19597	4.6
255.13756	5.0
255.21082	11.6
257.15546	4.5
267.21033	4.2
273.14835	18.5
283.13400	5.9
301.14325	66.1
319.15323	11.9
323.16486	6.7
341.17386	5.7
389.32028	10.4
391.33521	8.4
405.31549	11.8
423.00568	4.5
423.32797	6.2
435.32590	84.7
475.24826	6.4
493.25760	13.2
539.37109	4.7
567.29596	13.9
585.17200	11.1
585.30280	54.1
585.38171	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	585.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82896	1.5
53.03933	1.6
55.00178	1.1
55.01874	2.1
55.05494	5.3
57.03424	6.0
57.07056	1.2
60.12633	1.1
61.02938	6.2
63.76602	1.2
67.05502	9.2
67.92681	1.2
69.03423	6.3
69.07071	6.7
71.01359	1.9
71.04985	2.4
71.12662	2.8
73.02922	44.5
76.56399	1.2
79.05481	6.5
81.03400	3.2
81.07060	16.8
83.04944	2.3
83.08605	5.2
85.02900	10.2
87.04476	1.9
91.05484	10.1
93.07043	15.1
95.04955	3.9
95.08607	28.4
97.02873	2.9
97.06506	1.9
97.10157	1.4
103.03947	1.3
105.07035	17.8
106.42879	1.2
107.08599	22.5
109.02831	1.3
109.06515	1.6
109.10162	22.2
111.04476	1.7
115.03936	6.2
117.07015	3.6
119.08581	25.5
121.06535	1.4
121.10141	15.4
123.11707	6.1
128.06192	1.4
129.06998	2.6
131.08592	12.7
133.05058	2.0
133.06456	1.5
133.10136	20.9
135.11717	13.4
137.05882	1.3
137.13274	2.1
142.07768	1.7
143.08582	9.2
144.09427	1.4
145.10109	17.5
147.07982	1.9
147.11684	17.7
149.13277	12.4
151.07582	1.3
151.11244	1.6
155.08519	2.0
156.09410	1.4
157.10143	10.6
159.11696	13.1
161.13290	10.5
163.03917	1.5
163.14803	4.9
167.06964	1.7
169.10097	3.0
171.11676	6.1
173.13298	9.8
175.11133	1.5
175.14832	7.9
177.16336	3.1
183.11719	4.9
185.13261	43.9
187.14830	22.1
187.26700	1.4
189.16383	20.0
191.17940	15.2
195.11755	1.9
197.13255	5.7
199.14827	14.3
201.16426	17.5
203.17972	19.3
205.19533	6.7
207.17381	1.8
209.13211	1.9
211.14815	3.5
213.16379	6.0
215.17863	3.8
223.14795	1.9
225.16315	2.8
227.17963	3.6
229.16026	1.9
229.19258	1.6
231.13815	37.3
233.15318	3.8
241.19518	3.8
243.13867	1.7
243.21065	2.0
245.15384	4.1
247.16937	2.6
253.19521	3.9
255.21181	1.8
257.15356	1.5
259.16913	2.5
265.19250	1.4
285.18393	1.7
299.20004	3.4
313.21573	1.7
389.31943	5.2
407.33087	4.4
409.34488	1.7
435.32587	26.9
453.33588	5.8
539.37390	3.6
585.38251	100.0
586.38190	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	585.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	4.4
53.74912	3.7
55.05503	19.2
57.03422	9.2
59.19217	3.7
67.05513	29.4
69.03425	11.8
69.07065	12.9
73.02919	28.5
74.19017	3.5
79.05486	20.7
81.03411	6.8
81.07060	46.5
83.08601	6.5
85.02907	9.9
91.05478	23.2
93.07049	48.9
95.08598	68.9
97.06496	3.6
105.07038	52.1
107.08606	54.0
109.06596	4.1
109.10155	68.8
111.08067	8.0
117.07022	12.6
119.08582	95.5
120.08842	3.9
121.10147	33.5
123.11707	10.9
129.07091	6.9
131.08580	40.3
133.10133	53.6
135.11703	26.6
137.09647	3.9
137.13258	5.2
139.11073	4.0
143.08595	20.0
145.10121	59.4
147.11693	39.2
149.13261	48.8
151.07501	5.3
155.08562	4.7
157.10190	19.7
158.10876	4.1
159.11697	40.9
161.13240	42.9
163.14818	16.1
165.12808	4.8
169.10083	10.2
171.11732	16.3
172.12546	5.4
173.13280	32.6
175.14828	33.2
177.16393	24.0
183.11696	11.0
184.12419	4.1
185.13287	22.0
187.14816	38.2
189.16403	47.0
191.17957	10.6
196.12523	3.6
197.13341	10.2
199.14807	27.1
201.16389	100.0
203.17949	26.3
205.15961	4.9
207.17535	11.8
209.13271	4.3
211.14796	10.4
213.16406	19.8
215.17938	17.7
219.17404	9.3
221.15421	8.6
223.14868	3.6
225.16408	8.2
227.17946	11.9
229.19565	6.3
231.17314	4.5
233.15450	4.9
239.17929	8.4
241.19334	5.6
245.15343	15.1
247.16917	29.0
251.17894	5.2
253.19539	5.7
255.21228	4.3
259.16882	14.3
265.19470	5.4
267.21085	6.1
273.18481	5.9
279.21109	4.0
281.22659	5.3
285.18500	5.0
321.20413	4.4
327.23172	9.2
341.24832	10.0
389.32217	19.9
395.29523	10.2
407.33206	20.4
423.32452	10.7
435.32581	83.4
453.33572	48.5
521.36237	4.6
567.36707	5.8
585.28552	12.7
585.37134	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	585.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.05512	12.2
57.03431	5.4
60.82828	2.0
67.05506	23.2
69.03400	3.1
69.07079	18.9
71.01349	8.8
73.02916	15.0
77.99849	2.3
79.05503	18.6
81.07059	40.2
83.08630	11.0
83.09061	2.3
85.02907	38.2
91.05486	24.7
92.21202	2.2
93.07047	46.7
95.01326	9.7
95.08610	94.8
97.02879	2.7
97.06505	2.2
99.00822	3.1
101.02387	2.8
103.03928	4.9
105.07035	45.4
107.08598	65.8
107.09284	4.6
109.10156	41.5
113.02359	16.2
117.07026	12.1
119.08583	70.5
121.10148	48.5
123.11718	16.8
129.07057	4.3
131.03400	7.9
131.08586	33.1
133.10136	47.5
135.11702	45.9
135.12695	3.6
137.13280	8.2
141.01845	26.7
142.07819	3.0
143.08598	10.2
144.09386	2.8
145.10130	59.9
147.11684	42.1
149.13281	34.8
155.08546	3.1
157.10120	16.9
158.10942	2.3
159.02919	5.3
159.11693	39.6
161.13268	27.2
163.14821	41.2
170.11008	2.7
171.11722	14.2
172.12540	3.0
173.13269	38.1
175.14851	23.8
177.16441	19.0
183.11734	6.4
185.13290	24.2
187.14822	52.8
189.16383	54.5
191.17950	27.5
197.13316	3.9
199.14818	21.4
201.16391	88.8
201.18224	4.9
203.17969	39.4
203.19717	3.6
207.17531	2.5
211.14909	2.7
213.16460	11.8
215.17950	18.8
217.19513	6.2
221.19003	4.0
225.16347	4.8
227.17978	9.8
229.19530	15.6
231.13962	3.4
231.21149	2.8
239.18036	3.5
241.19530	9.0
243.21162	6.9
253.19624	4.8
255.21042	19.5
257.22668	3.3
267.21060	2.5
269.22681	10.4
283.24429	3.0
295.24197	4.4
321.26022	2.9
324.35120	2.6
383.20840	3.3
391.33664	45.0
409.34613	12.2
435.32980	5.2
585.30682	4.2
585.37982	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.05508	15.6
57.03423	4.6
57.07063	3.1
61.02914	10.6
61.55812	2.3
67.05503	18.8
69.03406	8.0
69.07069	12.8
71.01339	5.9
71.04986	2.7
71.61763	3.7
73.02917	79.9
79.05492	14.4
81.07061	30.5
83.08613	7.1
85.02897	10.7
88.12885	2.2
91.05492	17.2
93.07048	34.6
95.04950	5.0
95.08047	3.1
95.08612	57.3
97.02879	5.6
97.10171	5.4
105.07033	38.7
107.07879	2.3
107.08595	40.9
109.02850	4.9
109.06470	4.4
109.10164	34.3
115.03907	9.4
115.05416	2.8
117.07005	8.8
119.08579	77.6
121.06490	5.1
121.10138	31.9
123.08060	3.4
123.11731	12.8
125.09602	2.5
128.06241	3.1
129.06981	5.9
131.08560	29.4
133.05016	2.8
133.10126	37.2
135.04430	2.7
135.11688	28.3
137.06004	3.8
137.09631	2.4
137.13280	3.6
139.07472	2.8
142.07747	3.0
143.08582	19.8
144.09331	3.7
145.10114	43.1
147.10593	3.7
147.11688	33.8
149.13252	18.8
151.11140	2.3
155.08659	3.6
156.09349	3.2
157.10165	16.6
159.11693	30.5
161.13261	21.5
163.03871	3.4
163.07564	7.0
163.14842	14.3
165.12723	3.1
167.07039	9.1
169.10149	7.3
170.10945	3.5
171.11687	16.7
172.12666	2.7
173.09521	2.4
173.13275	21.9
175.14851	13.5
177.16347	9.7
183.11684	8.1
185.13252	52.3
187.14812	40.9
189.12685	2.8
189.16386	63.3
191.17946	40.2
195.11739	4.3
197.13258	7.3
199.14803	31.0
201.13283	2.4
201.16391	44.9
203.14305	3.3
203.17978	30.1
205.15883	3.1
205.19511	6.5
207.17422	6.3
211.14873	6.2
213.16382	14.1
215.17918	11.1
217.12190	3.4
217.15886	3.7
217.19429	2.9
225.16402	5.1
227.17943	6.8
229.12088	3.6
229.19434	3.1
231.13820	37.3
233.15370	9.8
239.18059	3.3
241.19536	2.9
243.21097	4.8
245.15350	13.2
247.16832	7.1
251.17924	3.3
253.19600	4.4
255.21049	8.6
257.15427	3.6
259.16895	4.3
267.20999	4.1
285.18448	2.5
295.23996	2.7
299.20044	4.7
319.24265	2.6
357.13159	4.0
359.14862	4.0
389.31949	8.7
391.29291	2.6
407.33017	5.2
433.28870	2.4
435.32629	73.1
453.33487	11.6
539.37140	5.6
555.14496	2.7
585.29108	26.3
585.38251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56037	2.7
55.05504	9.4
57.03436	5.2
61.02921	6.8
67.05503	15.1
69.03419	7.8
69.07056	12.0
70.93530	8.1
73.02916	53.6
74.72075	2.8
79.05494	9.4
81.07064	29.7
83.08612	10.4
85.02903	8.6
91.05477	21.3
93.07046	31.3
95.04968	3.1
95.08611	47.9
97.02877	4.6
97.10149	3.5
105.07045	33.4
107.08594	41.0
109.10153	33.2
115.03922	6.0
117.07035	7.1
119.08577	100.0
121.10153	39.7
123.11709	10.7
124.71999	3.3
129.07030	3.8
131.08580	26.2
133.10117	40.4
135.11703	26.7
137.05981	6.6
137.13298	5.1
142.07860	3.6
143.08585	12.6
145.10121	59.4
147.11687	32.5
149.13258	13.8
157.10149	20.1
159.08058	3.7
159.11690	39.3
161.05945	5.0
161.09636	4.8
161.13261	33.3
163.07564	9.8
163.14790	11.1
167.07019	7.3
169.10280	6.3
170.10959	3.6
171.07944	3.8
171.11734	12.4
173.13275	20.0
175.07562	3.3
175.14780	21.3
177.16368	13.2
179.07124	3.1
179.14258	2.8
180.84926	3.2
181.04959	4.4
183.11676	6.1
184.12489	4.2
185.13293	15.8
187.14816	40.0
189.16373	94.5
191.17950	71.2
197.13258	6.3
199.14821	36.8
201.16348	50.4
203.17958	33.4
207.17506	8.5
211.14833	6.2
213.16365	14.5
215.17975	13.2
217.12337	4.5
217.16023	4.5
217.19508	7.4
219.14093	4.3
227.06812	3.7
227.17963	6.3
229.19444	4.9
233.15381	10.8
241.19514	4.8
243.21077	6.5
245.15327	14.7
247.17026	8.7
253.19431	4.6
255.21094	13.4
259.16943	6.4
267.21164	5.1
304.01480	3.3
389.32077	15.1
391.33463	5.1
435.32617	92.1
453.33420	7.9
539.37299	3.8
585.28754	15.9
585.36902	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16653	4.7
55.05495	13.7
57.07072	24.4
57.94267	4.1
65.03924	4.6
67.05500	21.0
69.03422	6.4
69.07067	19.8
69.29452	6.8
69.29851	38.9
71.08622	7.1
78.89003	4.1
79.05486	20.6
81.07064	36.7
83.04970	6.0
89.06039	38.5
91.05481	37.0
92.05804	4.1
93.00236	4.2
93.07055	54.4
95.04963	15.2
95.08613	32.2
97.06538	8.0
97.10139	4.8
105.07036	70.0
107.08585	43.2
109.06551	8.0
109.10137	17.7
117.07014	17.1
119.08582	87.2
121.06458	8.2
121.10144	33.8
123.08067	12.4
123.11658	5.4
125.06025	6.8
128.06250	10.5
129.06996	15.6
130.07768	10.5
131.08575	46.9
132.09334	5.4
133.08629	26.6
133.10103	35.7
135.08044	16.4
135.11688	22.2
137.09607	10.2
141.06961	9.3
142.07777	21.0
143.08566	32.4
144.09344	7.8
145.10121	58.9
147.08020	21.9
147.11703	25.8
149.09644	10.8
151.07516	7.1
155.08456	11.2
156.09309	11.3
157.10127	58.1
158.10817	7.1
159.08034	9.0
159.11690	40.7
161.09607	9.2
161.13231	11.5
163.11179	11.0
163.59717	4.8
165.06952	5.0
165.09160	28.1
167.08502	6.8
168.09261	5.4
169.10110	22.3
170.10922	10.9
171.11687	22.6
172.12509	6.9
173.13260	28.9
175.11162	14.3
175.14792	8.0
177.11275	10.1
177.12743	7.5
180.09410	5.7
181.10091	14.0
181.12251	5.0
182.10855	9.6
183.11639	18.1
183.13069	4.9
184.12437	7.3
185.13229	18.7
187.11163	4.6
187.14818	9.3
189.12799	10.6
190.13416	5.5
193.10168	10.4
193.12230	13.4
194.10823	5.4
195.11673	16.8
197.13190	17.8
199.11121	5.9
199.14827	11.8
201.16339	5.4
203.14325	16.6
207.11700	9.0
207.13774	6.7
209.13211	15.1
211.11142	6.7
211.14873	7.9
213.16522	5.6
219.11601	6.2
219.13696	8.0
221.13354	10.7
221.15352	73.9
222.13736	5.6
222.15778	5.7
223.14755	11.7
225.16272	6.8
229.16040	5.6
231.82004	4.7
233.13402	5.5
234.16167	12.3
237.12675	6.5
239.17836	5.2
247.14635	6.1
247.16939	14.7
248.06618	5.0
249.16277	4.5
271.16980	4.9
299.20053	8.3
300.29056	8.9
311.29477	15.9
312.24231	5.5
325.21768	5.5
352.24014	70.5
365.24924	12.3
371.22726	14.2
398.27942	7.2
404.30722	8.9
411.28815	4.5
412.29532	15.0
438.30984	13.2
489.33475	6.1
491.35126	9.0
492.35416	10.4
504.35995	100.0
506.87186	5.2
584.42224	30.8
584.55774	22.9
585.37512	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05503	4.2
57.07057	6.0
59.04969	2.1
65.03943	1.9
67.05503	12.6
69.03432	9.9
69.07073	7.3
71.04894	1.4
79.05496	13.4
81.07056	17.6
83.04986	2.4
83.08608	4.0
85.06534	2.8
89.06025	1.3
91.05481	19.8
93.07047	29.5
95.04958	6.8
95.08600	21.2
97.06538	2.7
103.05463	2.4
105.07026	33.6
107.08591	20.5
109.06509	6.1
109.10160	14.2
111.08083	4.0
117.07046	7.4
119.08582	36.9
121.06477	4.2
121.10143	19.1
122.07278	1.4
123.08070	10.1
123.11680	3.8
125.06017	1.5
125.09592	1.7
128.06213	2.2
129.06978	5.3
130.07753	2.9
131.08551	17.6
133.06491	2.2
133.10127	23.6
135.08054	9.6
135.11693	11.7
137.09628	16.4
139.07585	1.5
141.06984	3.1
142.07739	7.6
143.08521	11.0
144.09363	2.6
145.10123	24.3
147.08064	22.5
147.11705	8.6
149.09650	3.2
151.07570	7.3
151.11188	1.8
153.06911	1.6
155.08531	5.2
156.09352	4.6
157.10120	18.3
158.10925	2.4
159.08055	1.7
159.11684	13.6
161.09601	4.2
161.13257	6.7
163.11185	5.9
165.07005	3.2
165.09114	43.4
167.08566	3.6
168.09401	2.9
169.10126	7.7
170.10858	4.1
171.11703	10.5
173.09628	2.2
173.13252	5.9
175.11214	3.8
175.14845	7.0
179.08537	3.4
179.10646	2.8
181.10107	3.6
181.12265	4.2
182.10835	2.7
183.11688	8.9
184.63831	1.4
185.13261	8.2
187.11241	2.0
187.14764	6.4
189.12764	3.3
191.10681	1.5
191.14510	1.8
193.10080	3.3
194.10867	3.0
195.11720	7.6
196.12498	1.5
197.13295	5.1
199.14818	1.9
201.12733	1.9
201.16351	1.6
203.14333	16.1
207.11757	3.0
207.13834	4.6
208.12474	2.3
209.13321	7.0
211.11307	1.7
211.14835	4.1
213.16454	2.7
221.13454	4.6
221.15359	100.0
223.14790	5.6
225.16348	2.1
232.12234	1.5
235.14813	4.7
237.16385	1.8
247.16988	1.9
263.18045	1.7
275.17868	1.7
287.20078	2.9
313.21881	1.5
349.24527	1.4
463.03885	1.5
473.34189	4.2
488.50729	1.6
491.35104	9.0
503.34802	6.0
548.40594	1.6
565.40308	6.1
583.32538	1.7
583.41394	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05502	6.1
57.07072	5.7
59.04997	3.1
65.03938	2.0
67.05507	11.9
69.03425	7.7
69.07063	4.0
69.64911	5.8
71.54958	1.1
79.05502	10.9
81.03415	1.2
81.07053	16.1
83.04990	4.1
83.08630	3.0
85.06532	2.9
91.05476	17.7
93.07044	25.6
95.04986	3.9
95.08611	16.8
97.06519	2.7
103.05460	1.9
105.07028	30.8
107.04958	1.0
107.08591	17.6
109.06535	3.9
109.10165	12.6
111.08087	4.5
115.05485	0.9
117.07008	6.7
119.08582	36.6
121.06521	4.2
121.10147	18.0
122.07253	1.6
123.08063	13.6
123.11736	2.1
125.05993	2.2
128.06230	2.0
129.07028	4.5
130.07777	2.6
131.08566	14.1
132.09386	1.2
133.06537	1.3
133.10146	21.3
135.08046	8.5
135.11707	11.5
137.09619	14.0
139.57603	1.1
141.07033	2.6
142.07794	5.6
143.08556	12.8
144.09364	2.1
145.10127	22.0
147.08047	19.2
147.11685	7.3
147.63190	1.0
149.09654	3.8
151.07549	8.0
151.11214	2.1
154.07692	1.4
155.08556	4.0
156.09331	6.0
157.10124	16.0
158.10959	1.9
159.08087	2.6
159.11700	14.0
161.09662	4.0
161.13286	4.3
163.11148	5.6
165.07019	2.2
165.09120	43.5
167.08557	2.1
167.10713	1.2
168.09383	2.2
169.10097	6.8
170.10956	4.2
171.11673	11.0
172.12344	1.4
173.09705	3.0
173.13272	6.7
174.12323	1.1
175.14874	3.4
179.08609	3.2
181.10175	3.0
181.12222	5.6
182.10956	2.3
183.11725	8.1
184.12596	1.5
185.13220	7.6
187.11182	1.1
187.14786	6.6
188.31656	1.0
189.12805	3.5
191.14302	1.3
192.09454	1.2
193.10229	3.6
194.10959	2.9
195.11745	4.7
196.12463	1.5
197.13220	5.5
199.14877	1.9
203.14308	13.7
206.10915	1.5
207.11760	4.5
207.13881	3.7
208.12482	1.5
209.13225	5.6
211.14925	3.9
213.12720	1.1
213.16490	1.2
215.14445	1.2
219.11653	1.5
221.15361	100.0
223.14841	4.5
225.16405	1.4
231.11757	1.4
231.17657	1.1
233.13356	1.6
233.15576	1.2
235.14868	3.2
237.16469	2.4
263.17920	1.4
265.19470	1.3
287.19995	1.5
299.19968	1.7
325.21783	1.6
352.24252	1.7
365.25101	3.1
424.42487	1.1
437.30814	1.7
473.34311	5.6
491.35043	8.0
503.35208	6.2
565.40216	8.7
583.41443	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.9
53.03937	3.1
55.05514	18.0
57.07062	10.6
57.07344	2.8
59.05005	3.6
67.05502	20.5
69.03410	5.8
69.07071	22.0
69.94631	3.0
69.94928	14.0
79.05491	28.7
81.07061	34.4
83.04962	6.5
83.08611	11.1
83.66393	2.7
85.06523	7.5
91.05470	43.8
93.07050	58.6
95.04971	15.6
95.08605	36.0
97.06534	4.0
97.47989	2.3
103.05492	4.0
105.07032	70.3
107.04963	3.5
107.08595	51.3
109.06517	9.0
109.10150	23.8
111.08071	3.3
114.16576	2.3
115.05438	3.9
115.10732	2.7
117.07018	16.9
119.08583	87.6
121.06512	4.0
121.10152	57.8
123.08085	15.9
123.11710	7.1
125.05987	4.9
125.09665	3.0
128.06221	13.4
129.07016	17.0
130.07794	2.9
131.08574	37.5
133.06479	3.2
133.10135	37.6
135.08061	12.0
135.11705	12.4
137.09634	10.6
139.11206	4.5
141.06992	9.1
142.07768	25.6
143.08566	36.0
144.09363	8.3
145.10118	49.9
147.08069	10.8
147.11682	17.7
149.09636	11.3
149.13272	4.9
151.07541	13.5
151.11285	2.6
153.06943	4.8
154.07805	4.0
155.08588	22.0
155.10652	2.7
156.09357	19.0
157.10139	52.1
158.10948	9.9
159.08043	8.9
159.11694	30.3
161.09641	7.9
161.13251	9.0
163.11186	6.6
165.07013	7.5
165.09122	15.1
166.07874	2.9
167.08569	13.7
167.10675	24.3
168.09373	8.8
169.10101	33.9
170.10941	7.3
171.11703	33.2
173.09575	5.6
173.13263	24.4
175.11238	3.8
175.14796	13.5
178.07841	3.7
179.08540	12.7
180.09312	6.9
181.10123	17.0
181.12372	6.4
182.10941	11.5
183.11690	28.2
184.12469	4.5
185.13255	16.5
187.11179	3.6
187.14810	8.2
189.12784	6.6
191.14288	7.2
192.09406	7.4
193.10127	15.5
194.10934	10.4
195.11717	23.4
196.12503	6.0
197.13271	28.5
199.14845	18.1
201.16446	6.1
203.14360	8.5
205.10156	7.0
205.15936	2.9
206.10934	7.0
207.11725	20.6
207.13835	7.1
208.12538	6.1
209.13223	25.5
210.14011	5.7
211.11107	3.2
211.14786	12.4
213.12848	2.8
215.14311	7.4
217.10193	3.4
217.15903	10.6
218.10988	4.3
219.11771	9.2
220.12483	6.0
221.13287	14.5
221.15408	35.7
222.14012	6.0
223.14728	12.8
225.12808	2.8
225.16354	5.3
230.10985	2.8
231.11629	6.0
232.12552	3.1
233.13281	11.0
233.15450	9.7
234.13884	3.1
235.14830	11.2
237.12720	3.0
237.16447	8.6
239.17966	7.9
243.11789	3.4
244.12578	3.3
245.13341	8.1
246.14102	5.6
247.14777	5.8
248.15599	4.2
249.16496	8.6
251.17984	4.8
255.17445	3.6
257.19070	7.2
259.14890	8.7
260.15701	5.3
261.16498	11.4
263.17834	5.7
265.19412	5.3
267.17337	4.2
269.19025	5.0
273.16403	5.3
275.17932	14.3
277.19418	5.7
283.14899	3.0
283.20667	14.6
289.19412	4.9
293.18948	3.1
299.20239	3.3
303.21326	2.9
321.44064	2.7
349.25302	6.5
361.25290	5.0
365.24619	6.4
375.26657	6.3
403.30444	4.2
491.34885	4.4
503.35660	2.8
525.18091	2.7
565.40424	24.7
576.99561	2.9
583.41473	100.0
584.41608	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30364	3.9
53.03949	8.0
55.05511	25.4
57.07084	17.3
58.36312	3.2
59.05016	4.7
61.59262	3.8
63.02364	3.7
65.87751	3.3
67.05504	39.3
69.03429	9.8
69.07063	24.4
69.38834	21.5
69.39243	7.7
71.05000	4.4
74.61012	3.2
79.05493	33.6
81.03407	4.3
81.07058	48.3
83.04977	8.6
83.08607	11.6
85.06557	5.5
91.05482	58.7
93.07053	62.7
95.04962	14.7
95.08609	48.5
97.06559	4.6
97.10163	3.8
98.21552	6.8
103.05463	5.6
105.07034	87.0
106.35571	3.7
107.04953	6.8
107.08594	63.1
109.06522	12.8
109.10153	33.0
111.08078	5.3
115.05499	4.0
117.07030	25.5
119.08591	95.2
121.06483	8.2
121.10148	64.8
123.08059	13.9
123.11684	11.8
128.06209	15.3
129.07007	18.5
130.07806	9.9
131.08575	49.6
133.06535	7.6
133.07617	3.3
133.10146	51.2
135.08055	16.1
135.11665	22.0
137.09608	14.7
138.04387	3.3
141.06992	14.7
142.07825	27.1
143.08585	50.7
144.09378	14.0
145.10118	71.4
147.08041	18.7
147.11665	23.6
149.09647	7.3
149.13237	6.0
151.07585	17.4
151.11148	5.9
153.06990	6.6
154.07765	5.0
155.08582	22.8
156.09340	20.3
157.10133	68.1
158.10956	7.5
159.08067	4.3
159.11685	31.5
161.09644	11.6
161.13275	9.5
163.11160	9.0
165.07018	7.0
165.09109	37.2
167.08574	13.2
167.10692	19.4
168.09326	7.6
169.10094	34.4
170.10870	12.3
171.11716	42.3
173.09575	6.7
173.13239	29.6
175.11221	5.0
175.14842	14.7
179.08594	17.8
179.10106	3.3
180.09291	10.6
181.10136	20.2
181.12216	10.1
182.10905	10.3
183.11661	38.9
184.12436	4.7
185.13263	27.7
187.14778	9.2
189.12756	6.3
191.14334	13.0
192.09337	6.7
193.10048	19.1
194.10916	14.4
194.58754	3.2
195.11731	28.8
196.12471	8.8
197.13216	18.9
198.14038	4.0
199.14778	21.3
202.55186	4.1
203.08563	3.9
203.14378	16.8
206.10907	12.8
207.11705	23.4
207.13609	6.5
208.12503	10.9
209.13275	40.5
209.15158	6.3
211.11311	5.7
211.14827	16.9
213.36449	4.1
215.14131	3.8
217.10049	7.6
217.15878	12.9
218.10957	5.6
219.11607	8.0
220.12451	5.3
221.13232	17.3
221.15379	58.5
222.13831	8.3
223.14815	15.0
225.16412	5.5
231.11652	8.8
231.17503	5.2
233.13239	10.3
233.15335	11.1
235.14833	13.5
237.16333	8.5
239.18111	6.0
245.13235	8.5
246.14188	5.6
247.14825	14.9
249.16422	12.7
251.17958	6.4
257.13068	4.0
257.18942	11.1
258.14001	5.7
259.14777	8.9
260.15588	5.6
261.16382	12.1
263.17920	7.4
265.19409	8.5
269.19040	7.4
271.14853	4.8
273.16345	9.0
275.17892	10.1
277.19391	5.5
283.20544	16.4
287.39420	3.5
289.19485	8.3
291.20905	4.8
293.19135	4.7
301.19171	4.2
329.22559	5.3
331.24106	8.2
332.87488	4.2
349.25269	4.9
375.26678	4.2
491.35043	8.1
503.35211	4.9
547.39166	4.7
565.40601	21.1
583.41791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15000	2.3
54.90513	2.3
55.01866	2.8
55.05507	12.2
57.03438	12.7
57.07073	2.5
61.02930	14.7
67.05505	13.6
69.03426	7.5
69.07056	13.5
69.69920	4.7
69.70325	10.5
73.02917	96.8
77.15615	2.2
79.05114	2.4
79.05482	13.7
81.07045	21.4
83.04969	2.4
83.08636	6.5
85.02916	9.0
86.18821	2.2
91.05481	17.0
93.07036	30.4
95.04992	3.6
95.08611	42.7
97.02898	6.1
97.06533	5.4
97.10159	3.7
98.20760	4.7
105.07030	33.6
107.08600	45.4
107.09277	3.5
109.06563	3.2
109.10168	23.6
115.03917	15.4
117.07053	5.7
119.08588	66.7
121.10148	42.1
123.11755	10.5
128.06245	5.2
129.07002	7.0
131.08589	27.5
133.04994	4.7
133.10147	37.3
135.08043	2.7
135.11694	24.3
137.05983	3.9
139.55763	2.5
141.06955	3.5
142.07826	6.1
143.08572	23.1
144.09375	2.7
145.10118	44.6
147.11664	22.9
149.13240	13.3
153.12811	2.7
155.08588	9.2
156.09334	7.2
157.10141	31.6
159.08113	3.3
159.11705	35.6
161.13251	14.8
163.07547	11.3
163.14864	8.0
165.09128	2.3
165.12746	2.4
167.07086	3.7
167.08661	3.6
168.09427	2.8
169.10139	17.4
170.10954	4.3
171.11717	30.8
173.13281	19.7
175.14799	17.1
177.09183	2.8
177.16464	10.9
179.14343	3.1
181.10185	8.1
182.11006	5.9
183.11707	34.1
184.12518	3.8
185.13278	26.1
187.14807	28.0
189.16437	25.2
191.18015	6.4
194.10957	3.0
195.11755	9.9
196.12595	5.0
197.13272	23.2
199.14799	26.6
201.12674	2.7
201.16386	23.5
203.18073	9.9
205.12219	3.1
207.11784	3.7
207.17354	3.7
209.13318	17.3
211.14818	15.1
213.16495	10.5
215.10738	2.8
215.18001	8.5
221.13274	4.8
223.14922	9.5
225.16493	13.3
227.17978	8.0
229.12271	8.5
229.15881	3.9
229.19522	2.9
231.13861	5.7
236.15721	2.8
237.16402	8.4
239.18037	6.5
241.19412	3.0
243.13907	11.0
245.15466	11.3
247.17027	4.1
251.17972	16.4
253.19586	14.4
257.15466	18.3
265.19547	9.1
267.21219	3.5
271.17014	7.9
279.17911	3.0
279.21048	3.0
283.16849	3.0
283.24371	3.1
285.18591	5.1
297.18518	18.2
299.20139	9.0
311.20114	7.7
345.26065	3.4
387.30322	15.9
389.32184	9.4
391.26352	4.6
405.31595	14.5
407.33072	4.2
433.31049	84.9
441.72211	2.9
451.32071	59.9
452.32846	2.6
537.36072	4.0
583.36359	100.0
584.36798	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.05513	14.2
57.07063	9.5
58.57767	2.0
59.04995	4.0
65.03947	3.1
67.05504	25.4
69.03432	6.5
69.07066	18.0
69.23156	20.6
69.23561	2.8
73.07991	1.9
79.05492	27.3
81.07054	36.4
83.04984	6.0
83.08622	9.8
85.06540	6.6
91.05479	41.6
91.76778	2.1
93.07046	54.6
95.04979	8.1
95.08602	45.9
97.06533	3.8
103.05488	3.2
105.04533	3.0
105.07027	72.6
107.04984	4.1
107.08595	42.9
109.06522	7.3
109.10146	24.4
111.08096	4.4
115.05471	3.3
117.07029	14.1
119.08576	74.3
121.06548	5.0
121.10155	40.9
123.08057	17.8
123.11713	9.0
125.05981	2.7
125.09632	2.6
128.06235	11.1
129.07016	16.3
130.07787	7.3
131.08565	33.7
131.09486	3.0
133.10133	42.2
135.08096	10.6
135.11705	15.5
137.09578	12.2
141.07024	9.6
142.07759	25.6
143.08551	35.9
144.09384	8.0
145.10115	47.2
147.08047	14.9
147.11691	17.2
149.09615	10.7
149.13289	3.3
151.07541	16.0
153.07085	3.1
154.07816	4.3
155.08560	16.5
155.10751	2.5
156.09352	20.6
157.10135	44.8
158.10927	8.0
159.08070	6.2
159.11681	27.4
161.09630	5.5
161.13254	11.1
163.11229	6.5
163.62737	2.5
165.07001	6.8
165.09126	31.0
166.07799	3.5
167.08589	14.2
167.10669	12.5
168.09444	7.4
169.10172	27.1
170.10948	7.0
171.11694	28.7
173.09659	3.4
173.13263	25.3
175.11404	2.4
175.14865	8.7
178.07817	2.8
179.08597	11.2
180.09383	7.7
181.10190	15.5
181.12234	6.0
182.10965	9.7
183.11668	23.1
184.12502	3.3
185.09647	2.6
185.13263	22.4
187.14836	7.5
189.12808	4.8
191.14365	9.9
192.09337	4.2
193.10127	11.3
194.10895	12.7
195.11694	20.9
196.12578	6.5
197.13251	23.2
199.14789	15.0
203.14311	11.9
205.10118	3.1
206.10945	7.7
207.11725	16.1
207.13844	8.3
208.12477	7.9
209.13222	21.8
210.14041	6.4
211.14864	9.3
213.16473	5.3
217.10107	4.2
217.15919	8.6
218.10895	3.5
219.11732	8.0
220.12503	9.0
221.13286	15.7
221.15427	63.2
222.13986	3.4
223.14769	13.1
224.15579	2.9
225.13095	3.2
225.16400	4.8
227.14342	4.6
227.17831	2.6
231.11731	6.7
231.13808	3.0
232.12431	4.1
233.13266	9.9
233.15411	4.8
234.13992	3.7
235.14897	9.1
236.15591	2.8
237.16443	10.3
239.17935	3.1
244.12561	3.7
245.13329	7.5
246.14169	3.3
247.14861	8.7
248.15608	2.4
249.16428	10.2
251.17992	8.8
253.19510	3.1
255.17374	2.8
257.13248	2.8
257.19046	6.5
258.14069	2.5
259.14877	7.2
261.16461	7.7
262.17303	2.6
263.18015	4.2
265.19611	7.6
267.21054	2.9
269.19028	4.6
271.14886	2.9
272.82568	2.6
273.16364	6.0
275.17865	10.8
277.19608	4.5
283.20599	11.5
289.19446	3.0
293.18997	3.4
295.20746	4.9
297.22208	4.3
313.19159	2.4
331.24350	3.1
347.23660	3.2
349.25305	8.6
361.21158	2.5
361.25555	3.0
375.27069	6.0
403.30054	8.6
485.34512	3.0
491.34894	6.4
503.35928	3.4
545.05853	2.3
547.39172	5.2
565.40356	23.9
583.41498	100.0
584.41315	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	583.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01869	4.9
55.05508	14.3
57.03421	13.8
57.07059	4.6
61.02915	11.6
67.05504	34.8
69.03415	12.1
69.07077	20.3
71.01335	4.4
71.04980	5.1
72.07716	3.0
73.02919	89.3
79.05490	19.8
81.03397	14.9
81.07059	49.3
83.04987	5.4
83.08605	14.4
85.02901	22.4
91.05468	29.0
93.07042	35.4
95.04961	11.2
95.08601	52.6
97.02878	7.1
97.06519	19.5
97.10165	5.0
105.07021	43.4
106.82967	2.8
107.04935	4.8
107.08590	50.4
109.10148	39.9
111.04422	7.0
111.08067	3.4
115.03901	7.0
116.38489	3.3
117.07010	6.5
119.08579	86.3
121.06490	5.7
121.10139	38.0
123.11674	9.9
125.06010	3.6
127.03934	4.6
128.06212	3.6
129.06978	10.2
131.08559	25.8
133.02769	3.0
133.06456	3.2
133.10127	34.6
135.08017	3.6
135.11679	33.6
137.05965	9.9
138.21747	3.2
141.07025	3.6
142.07791	6.2
143.08563	24.0
145.10121	55.2
147.11685	28.3
149.06018	4.9
149.13257	17.6
151.03860	4.4
151.07516	4.7
155.08551	7.5
156.09279	8.1
157.10138	27.6
159.11687	43.6
161.13249	23.3
163.07558	5.2
163.14824	13.1
165.09103	4.1
167.07034	10.4
167.08514	5.7
169.10085	18.7
170.10872	6.1
171.11682	31.8
173.09538	4.5
173.11845	5.5
173.13258	28.1
175.07457	5.8
175.11205	3.7
175.14809	17.2
177.16351	11.0
181.04938	5.1
181.06496	3.3
181.10066	8.8
183.11681	31.7
185.13295	24.8
186.13914	3.5
187.14813	27.8
189.09111	5.9
189.16354	24.2
191.07043	5.8
191.17957	6.4
193.08525	4.4
193.12172	4.0
195.11697	11.5
196.12479	5.7
197.13246	25.6
199.14827	34.0
201.16417	34.8
203.10748	4.0
203.17926	9.4
205.19542	3.0
207.11720	4.3
209.13211	14.0
211.13158	4.0
211.14893	17.6
213.16333	15.8
215.17978	11.2
217.12146	3.3
221.13370	4.1
223.14830	8.9
225.12863	5.4
225.16245	16.2
227.17958	10.1
229.12175	11.8
231.13776	4.5
235.14799	5.2
236.15688	4.9
237.16347	9.2
239.17862	6.2
241.19669	4.6
243.13835	11.2
245.15442	7.6
247.16925	6.4
251.17920	15.2
253.19556	9.2
257.15335	13.3
263.17682	4.0
265.19440	5.5
267.21051	3.1
270.11984	4.3
271.17038	8.3
281.22388	4.0
285.18506	5.6
287.12729	5.3
288.13171	6.2
297.18484	9.8
299.20090	6.6
311.19965	8.5
332.15598	6.0
345.25888	4.1
356.15561	7.7
363.22577	4.4
374.16797	7.1
387.30630	15.2
389.31952	10.8
405.31369	17.2
407.33127	3.8
423.33105	3.5
433.31012	100.0
451.32114	66.9
569.53912	3.6
583.36743	84.9
601.98645	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05513	10.4
57.03435	10.1
57.07076	3.0
61.02923	9.2
67.05502	15.8
69.03432	5.3
69.07061	14.9
69.60603	16.2
71.01379	2.5
73.02916	93.4
79.05501	14.6
81.03440	2.5
81.07059	25.0
83.08610	9.3
85.02926	10.8
88.18649	2.2
91.05478	18.1
93.07045	31.3
95.05004	3.8
95.08604	43.2
97.02901	5.0
105.07042	38.2
107.08608	42.3
109.06510	3.5
109.10174	24.1
115.03954	8.8
117.07042	6.3
119.08578	59.7
121.06490	2.1
121.10143	33.0
123.11732	9.8
127.60300	2.2
128.06252	4.4
129.06993	6.9
131.08598	20.8
133.05002	2.5
133.10114	25.5
135.11687	23.3
137.13258	4.5
141.01898	2.5
141.06975	3.6
142.07773	2.6
143.08553	24.6
144.09276	2.5
145.10126	39.3
147.08018	2.7
147.11697	24.2
149.06052	2.2
149.13272	15.9
151.07558	3.7
155.08595	10.3
156.09398	6.0
157.10138	26.0
158.10947	3.0
159.11699	29.7
161.13266	16.9
163.07645	6.3
163.14809	12.2
168.09395	3.5
169.10138	17.6
169.85670	2.1
170.10970	3.6
171.11687	24.2
173.13263	29.3
175.14824	16.9
177.16357	12.9
179.14326	2.7
181.10158	7.9
182.10973	5.3
183.11685	31.2
184.12552	3.1
185.13264	27.8
187.14841	20.9
189.16385	26.0
191.18004	3.2
193.10220	2.9
194.10777	3.2
195.11763	8.0
196.12413	3.4
197.13261	16.9
199.14822	27.4
199.16583	3.3
201.16367	17.1
203.10620	2.8
203.17979	11.8
205.19484	3.7
207.11798	3.3
209.13309	12.4
211.14877	17.8
213.16382	13.3
215.17886	5.1
221.13326	3.6
223.14900	7.6
225.16426	14.2
227.18068	7.6
229.12289	8.6
229.15936	2.4
229.19650	3.5
231.13791	3.8
237.16443	8.5
239.18130	6.5
241.19662	3.0
243.13869	7.3
245.15390	7.7
251.17966	15.6
253.19466	11.7
257.15387	17.0
259.16940	4.5
263.17905	5.0
265.19641	7.0
267.21118	2.7
269.15558	2.8
271.16968	4.4
277.19263	3.5
279.21158	2.7
283.17044	3.3
283.24319	3.0
285.18594	3.1
289.05298	3.0
293.22897	3.2
297.18604	15.1
299.20047	10.3
299.23364	2.2
311.20206	6.3
319.24219	2.9
377.24933	5.2
387.30496	12.1
389.31995	13.6
391.26334	3.5
405.31531	16.4
407.33289	5.0
433.31033	86.4
451.32123	58.8
537.36005	5.2
541.30280	2.4
565.35931	4.3
583.27747	16.7
583.36401	100.0
584.37360	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01859	7.8
55.05507	34.1
56.34699	4.0
56.96546	5.1
56.97820	4.1
57.03430	10.2
58.93042	4.1
65.33043	3.9
67.05161	6.2
67.05500	100.0
69.03436	23.3
69.07061	8.3
69.47534	26.8
71.04987	11.4
74.26266	3.7
79.05483	26.0
81.03410	95.8
81.07054	41.4
83.04970	23.2
83.08607	26.6
85.02913	30.6
91.05477	31.4
93.07041	24.7
95.04953	27.0
95.08588	18.0
97.02873	16.9
97.06523	7.1
97.10161	9.2
98.21579	4.0
99.04448	5.5
105.07022	26.3
107.04930	7.3
107.08574	18.1
109.02864	16.1
109.06503	8.3
109.10155	69.6
111.04411	20.6
111.08068	12.0
115.05458	4.2
117.06978	5.2
119.08559	24.2
121.06515	6.7
121.10137	11.2
125.09605	10.2
127.03915	11.6
129.07028	4.7
131.08585	9.0
133.10138	11.0
137.09634	6.7
138.67668	4.0
143.08479	4.2
145.01877	3.9
147.07848	5.0
147.11725	13.8
149.09637	7.2
155.10623	4.7
157.10136	12.9
159.11649	5.3
165.12724	3.8
171.11650	4.8
173.11781	20.1
173.13101	5.7
175.11205	6.6
189.11118	7.3
189.12683	4.3
193.12238	33.9
211.13293	40.9
213.12741	4.2
227.12788	5.9
229.14267	20.7
235.13153	4.1
267.15961	10.7
277.14182	4.6
285.17181	5.9
299.14697	12.3
355.17365	8.0
367.63965	4.4
393.18936	6.2
421.25806	11.0
439.26782	14.0
505.28406	4.6
529.27820	4.3
565.30194	13.4
583.31128	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
55.01878	3.9
55.05510	28.9
57.03434	14.3
57.07068	9.3
64.82748	2.7
67.05505	55.8
68.73732	3.1
69.03439	3.2
69.07069	36.6
70.20108	14.3
71.05000	7.3
71.08635	6.3
75.80148	3.4
79.05499	29.6
81.03421	46.3
81.06581	4.8
81.07060	80.8
83.04971	10.0
83.08624	30.8
85.02898	16.7
85.10169	3.6
89.06035	4.7
91.05480	29.2
93.07066	23.4
95.04968	18.5
95.08614	57.0
95.09217	3.7
95.67906	3.1
97.06521	3.3
97.10165	10.3
98.20744	3.4
105.07037	27.7
107.08590	16.2
109.10125	16.5
111.08086	12.3
116.88126	3.9
117.07044	3.6
119.08614	15.9
121.10137	15.3
123.11718	12.6
129.06989	9.7
131.08592	9.1
133.08624	4.5
133.10115	10.7
135.11676	7.7
137.09647	5.9
137.48219	3.2
138.57556	3.4
142.07753	4.3
145.10138	4.0
147.08086	3.1
147.11713	13.3
149.09596	4.1
149.13309	3.4
157.10152	8.4
169.62415	3.5
175.11197	11.8
193.12244	29.5
211.13306	45.1
227.14180	3.6
263.24228	3.8
267.15948	10.8
279.23111	4.6
283.26328	65.7
285.16943	43.6
337.27380	100.0
529.38623	10.2
547.39917	96.3
548.40479	3.5
564.39551	4.2
567.20294	2.9
582.40704	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22921	3.1
53.03949	4.3
55.05511	26.2
57.03440	18.2
57.07062	3.7
59.34587	3.6
67.05508	55.6
69.03429	4.2
69.07058	23.5
69.94388	20.2
71.04994	6.2
77.56852	3.6
79.05500	25.9
81.03421	32.0
81.07061	56.8
83.04980	14.8
83.08619	22.3
85.02912	15.8
85.06550	3.4
85.10171	3.6
91.05482	25.1
93.07053	26.5
93.30855	3.6
95.04968	14.2
95.08613	39.8
97.10176	9.6
98.21433	3.7
105.07024	26.3
107.05032	5.5
107.08591	9.9
109.06497	6.0
109.10162	12.9
111.08083	8.6
119.08615	17.0
121.10166	10.2
123.11709	9.5
129.07004	8.8
131.08574	7.1
133.10150	12.3
143.54424	3.9
145.10176	5.0
147.11684	14.7
157.10184	8.7
161.13309	4.8
175.11302	5.1
193.12224	37.1
208.27066	3.3
211.13272	47.4
267.15991	12.4
285.16977	42.2
337.27362	94.9
529.38855	14.4
547.39996	67.9
582.40594	100.0
591.35681	4.3
598.67169	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05503	1.5
61.02905	1.1
64.18488	0.9
67.05491	1.2
68.45130	1.1
69.03415	3.3
69.07092	1.3
73.02905	2.1
78.04711	2.1
79.05474	3.2
81.03383	2.6
81.07029	4.3
83.04967	1.8
85.02910	5.3
91.05463	4.2
93.07037	4.8
95.04961	3.2
95.08592	3.1
97.02878	3.3
97.06509	2.3
103.05448	2.5
105.03334	1.3
105.07029	7.8
107.04941	4.1
109.02847	1.2
109.10168	1.6
111.04433	1.7
115.05420	2.2
117.06991	1.5
119.08556	3.6
121.06484	3.3
121.10143	1.7
123.04404	3.5
123.08050	1.0
124.05180	1.8
131.04929	2.5
131.08543	1.1
133.02832	1.3
133.06473	5.1
135.11633	2.2
137.05974	10.0
143.08569	1.2
145.06482	1.4
147.11679	1.5
149.05942	4.0
151.03920	2.2
151.07526	2.1
152.04703	1.2
161.05959	5.3
163.07582	2.2
165.09093	1.4
167.07039	100.0
173.05956	2.5
175.07480	1.5
181.04918	4.4
181.08607	7.5
191.07014	1.2
193.08617	14.5
205.08562	1.9
211.09607	13.5
233.08012	1.5
235.09590	1.8
239.09134	3.2
306.71783	1.2
327.12335	1.4
381.13251	1.7
565.20374	2.1
583.26648	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	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90110	2.7
55.05491	10.4
57.07065	6.9
59.04981	2.5
61.10286	2.3
62.38427	2.9
63.36488	2.3
65.03933	2.8
65.37273	2.4
67.05508	13.9
69.03401	4.6
69.07074	13.8
69.48167	19.8
75.94337	2.1
79.05495	24.3
81.07066	25.0
83.04944	3.3
83.08627	5.1
85.06545	2.7
91.05038	2.9
91.05486	31.1
93.07048	34.6
95.04975	51.9
95.08610	17.3
97.06524	5.1
98.20728	3.5
103.05447	5.2
105.07029	52.8
107.08602	37.2
109.06530	11.8
109.10185	13.9
111.08111	2.9
115.05439	5.0
117.07031	19.5
119.07779	4.8
119.08578	59.1
120.09361	3.1
121.06493	7.6
121.10144	29.8
122.07294	5.3
123.08071	16.5
123.11700	4.6
128.06232	12.2
129.06995	18.3
130.07744	6.7
131.08582	38.9
131.87044	3.2
132.09396	2.7
133.06523	4.5
133.10138	32.7
135.08057	19.0
135.11716	7.2
137.09627	6.2
138.10388	2.6
141.06958	12.8
142.07765	20.4
143.08569	56.9
144.09294	4.8
145.10130	57.7
146.10844	2.7
147.08061	9.1
147.11678	13.0
148.08932	3.9
149.09575	9.6
151.11226	2.9
153.07013	4.6
154.07855	4.4
155.08574	21.5
156.09360	20.3
157.10129	55.7
158.10902	10.3
159.08031	14.3
159.11688	23.3
160.08723	2.9
161.09592	15.0
161.13231	5.5
163.11130	3.7
165.06975	9.8
166.07745	2.7
167.08629	11.8
167.10707	7.3
168.09288	4.1
169.10139	28.9
170.10922	9.2
171.07997	7.1
171.11691	30.2
172.08870	4.4
172.12451	2.7
173.09645	13.7
173.13246	13.7
175.11192	8.8
179.08582	14.1
180.09312	5.7
181.10124	21.4
182.10889	12.0
183.11690	32.5
185.09625	9.8
185.13225	13.1
187.11168	7.8
187.14809	4.8
188.11923	4.8
189.09091	3.1
189.12784	8.1
191.14307	10.2
192.09303	7.1
193.10103	16.6
194.10878	8.8
195.11697	29.6
196.12477	8.1
197.09564	7.1
197.13258	21.6
198.10393	4.0
198.14046	5.4
199.11237	15.8
199.14851	10.9
201.12698	6.7
205.10197	3.3
206.10876	7.6
207.11714	21.9
208.12488	8.6
209.09607	2.7
209.13272	16.7
210.13992	3.6
211.11147	11.3
211.14783	14.3
212.11928	5.6
213.12715	6.8
213.16519	3.3
215.14285	6.0
217.10083	4.4
217.12238	2.9
217.15898	4.5
218.10902	5.2
219.11696	9.5
220.12457	5.8
221.13321	12.8
222.14050	3.7
223.11128	7.7
223.14787	16.0
225.12747	9.5
225.16298	4.2
227.14311	15.4
230.10904	2.7
231.11673	6.0
232.12456	4.4
233.13286	8.3
235.14790	10.4
237.12753	5.9
237.16389	4.7
239.14299	6.4
239.17955	6.4
241.15877	5.3
243.11652	3.7
244.12512	3.4
245.13203	9.0
246.13934	5.2
247.14865	6.8
249.12743	3.3
249.16443	6.5
251.14255	5.1
253.16049	6.0
255.17447	7.7
255.30959	2.6
257.13208	5.8
258.14001	3.5
259.14767	7.1
261.16290	5.2
263.14227	7.6
265.15900	5.1
269.19003	2.5
273.18570	55.0
275.17975	3.6
277.16122	3.2
277.19452	2.9
279.17438	4.7
281.18881	4.2
283.26187	2.6
286.19345	3.2
289.15869	7.0
289.19305	4.4
291.17563	3.3
291.21106	7.1
299.20187	25.0
303.20929	3.1
307.20465	2.9
307.77597	2.9
319.20453	8.1
325.21729	6.2
328.10367	3.4
334.22650	3.0
337.21667	24.6
349.21378	3.0
351.23062	4.4
352.23969	100.0
353.24725	4.2
357.22339	3.4
363.23187	6.6
365.24695	11.0
389.24649	2.7
401.28149	3.8
429.27585	6.5
434.28180	4.1
444.30313	37.5
445.30991	4.8
488.23834	3.8
490.34460	18.5
521.38281	4.5
526.34161	3.3
582.40533	73.7
596.65118	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	582.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01864	3.6
64.93995	0.9
69.03462	1.1
70.02583	1.0
70.17757	3.8
78.55813	0.8
79.05496	3.3
79.31777	0.9
81.03402	1.6
84.67262	0.8
85.02908	8.0
89.03967	1.0
89.44317	0.8
91.05473	2.3
95.01365	1.3
95.04971	2.9
95.09321	0.8
97.02880	2.8
97.50199	0.8
98.97581	2.2
103.05475	3.3
105.07029	38.0
107.04950	2.6
109.02876	1.0
115.05441	9.0
117.07027	3.0
118.04180	1.4
119.04884	1.2
123.04441	3.7
127.03881	2.0
129.07042	1.6
131.04924	2.4
132.05739	1.0
133.06491	41.3
140.04726	2.1
143.04958	2.1
143.06062	3.5
145.06499	5.0
147.04407	1.6
147.08118	1.1
147.80055	1.0
155.07025	4.1
157.05086	1.5
157.06453	2.2
161.05984	100.0
163.07538	1.2
167.07039	20.1
169.06477	1.7
172.05244	1.0
173.06013	3.7
175.03857	2.0
175.06068	3.3
175.07600	2.9
178.06245	1.2
179.07057	1.6
181.04938	2.4
183.06543	3.3
185.05989	1.9
186.03021	1.0
189.05424	1.9
190.06244	2.8
191.06985	2.2
193.08611	74.3
201.05423	4.3
203.07103	2.9
205.08556	6.2
207.06519	9.4
213.05508	1.6
215.07094	1.7
216.04222	1.0
217.08636	1.2
219.06436	4.3
221.08116	2.5
223.09749	1.7
227.07068	1.5
228.04132	1.0
229.04951	4.3
231.06471	6.1
232.03566	1.1
233.04477	8.9
233.08041	6.0
234.09103	1.4
235.09715	3.1
243.06516	0.9
245.08197	2.3
247.05951	5.2
249.07578	3.6
251.09135	23.4
257.04086	1.1
257.08105	1.4
259.06033	2.5
261.07565	11.5
263.09222	5.3
265.07053	1.2
267.08844	1.2
273.07578	1.1
275.09100	7.4
277.07013	3.0
279.08600	6.1
287.08911	1.0
289.07065	7.9
293.10211	4.8
303.08643	1.7
305.10220	5.2
307.08145	27.1
319.08078	1.7
321.09634	1.6
323.11279	2.2
325.09207	3.5
337.08969	1.4
341.12329	1.9
349.09265	2.2
367.10245	11.2
385.11295	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05514	26.2
57.03435	10.1
57.07078	4.5
65.03929	2.9
67.05508	46.2
69.03426	2.1
69.07072	24.1
69.47877	18.1
71.04994	5.3
75.25043	2.2
79.05494	26.5
81.03413	3.9
81.07060	52.8
82.07410	3.0
83.05000	5.1
83.08630	18.7
85.06535	3.0
85.10172	2.5
88.73113	1.9
91.05484	16.3
93.07046	37.8
94.07390	3.2
95.04974	7.9
95.08610	46.2
96.08974	2.1
97.06544	6.5
97.10166	6.7
98.21455	3.1
99.04426	3.1
105.07040	13.4
106.07352	2.6
107.04958	6.4
107.08605	22.0
108.08978	2.5
109.06588	2.8
109.10162	17.9
111.04450	2.1
111.08051	2.6
117.07010	6.9
119.08577	13.4
120.67206	2.3
121.06512	5.4
121.10149	12.7
123.11683	5.4
131.08583	3.4
133.10146	8.2
135.07974	2.5
135.11687	34.9
145.10130	18.6
145.51350	2.4
147.11670	4.3
153.12782	2.5
159.11713	2.2
163.11214	28.5
181.12297	4.6
216.09233	2.3
216.26321	2.1
227.12796	58.9
251.38150	2.4
261.24619	2.5
267.15701	2.5
283.15469	29.6
337.27362	100.0
338.27783	3.5
456.35480	3.7
471.02502	2.6
530.39008	9.5
545.38403	52.6
548.40259	6.0
562.38196	2.7
580.38757	9.8
581.40033	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	22.8
55.07778	4.6
56.51045	4.2
57.03429	12.8
66.24107	3.9
67.05505	57.1
69.07065	18.2
69.33653	38.4
71.04984	5.8
79.05499	37.7
81.03416	39.9
81.07059	50.6
81.32647	4.5
81.33111	4.8
83.04987	12.2
83.08604	15.9
85.02917	15.2
87.36019	4.5
91.05476	35.6
93.07040	35.8
95.04967	19.1
95.08600	36.6
102.34982	4.1
105.07025	29.3
107.04967	6.0
107.08593	18.4
109.10156	13.3
111.08080	4.8
119.08608	15.8
121.10143	17.4
129.07001	9.6
131.08604	10.7
133.10097	12.4
135.11725	9.5
145.10057	6.1
147.11684	10.0
149.13257	6.6
157.10155	6.7
175.11209	6.4
193.12271	35.9
211.13278	49.1
261.22226	7.4
267.15897	12.1
285.16992	37.1
319.97021	4.4
335.25830	100.0
351.76434	4.8
527.37329	7.7
545.38373	51.2
580.39392	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	581.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55232	0.7
53.03942	1.1
56.96546	0.6
57.03431	0.9
61.02908	0.9
65.03938	0.6
67.01572	0.7
67.01873	8.1
67.05492	1.1
68.99792	3.5
69.03423	3.4
69.37409	5.1
71.04979	3.8
71.37057	0.5
73.02919	0.7
79.05508	1.7
81.03408	3.9
81.07057	1.3
83.04974	2.2
85.02885	5.6
89.06032	16.5
91.05480	3.3
93.07034	1.7
95.04962	0.9
95.08583	1.4
97.02888	8.5
97.04802	0.6
97.06509	0.6
98.21526	1.3
99.04432	1.8
99.08078	0.6
103.03935	0.9
103.05435	0.7
105.07046	1.0
107.04968	1.7
107.08612	1.0
109.02918	3.1
109.10155	1.0
111.04432	2.5
117.03351	2.0
117.07030	0.6
119.04931	1.2
119.08583	1.0
121.02898	1.0
121.10102	1.0
123.04440	2.3
125.02301	1.4
127.03922	3.7
129.01794	0.7
131.04933	1.4
131.08583	0.8
135.04401	0.8
135.11723	0.6
137.05975	9.6
138.06323	1.6
145.02855	9.0
145.04924	3.5
145.09987	0.8
147.04425	1.0
147.17564	0.7
149.06001	1.9
151.03905	2.1
151.07579	6.1
153.01825	100.0
163.03964	1.3
163.07545	1.1
165.01843	1.1
167.03378	0.8
167.07037	12.7
171.02882	36.2
177.01862	2.5
177.05461	16.1
179.03392	7.1
181.04944	1.0
189.16339	0.7
191.03462	1.5
191.07097	1.2
195.02893	16.4
209.08109	2.2
213.63583	0.6
215.03365	1.3
219.03003	3.8
219.06451	0.7
243.02876	1.4
246.98128	0.6
259.09741	0.8
261.03964	4.2
261.07288	0.7
261.09897	1.3
285.07471	0.7
287.09116	0.9
288.09363	0.8
303.08621	83.5
311.85126	0.6
327.08698	2.8
335.10272	1.0
345.09702	4.9
358.22873	0.6
369.09552	3.3
393.09711	1.8
411.10770	3.6
413.10968	0.7
429.11987	1.7
537.18970	1.6
581.18542	2.6
581.27118	0.8
581.35730	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	579.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
66.04006	0.5
67.05505	1.1
68.99805	0.9
69.03424	0.5
69.07034	0.5
70.61976	1.0
70.62336	1.2
79.05488	1.5
81.03407	0.9
81.07042	1.3
85.02904	1.0
91.05460	1.5
94.04150	1.4
95.04984	1.1
95.08591	1.0
97.02891	0.8
97.06530	0.6
103.05456	0.7
105.03405	1.0
105.07008	1.7
107.04955	1.5
109.02843	0.6
109.06519	2.3
109.10168	1.1
111.04418	0.9
119.08549	0.7
122.03622	3.8
123.04425	9.4
125.05959	0.8
133.02859	6.0
135.67686	0.5
137.05974	100.0
138.06293	0.7
141.05460	1.4
147.11644	0.9
151.03903	0.5
152.00992	0.9
153.05438	0.8
154.50484	0.5
159.11658	0.8
161.01083	1.1
161.02351	14.5
163.03986	0.9
165.05518	2.7
166.02672	1.2
167.03401	36.8
167.07024	2.3
170.01973	0.8
177.05505	0.6
181.04974	2.8
193.04982	4.5
209.04518	1.7
227.07010	3.6
229.04871	0.7
240.04129	0.7
255.06543	6.2
256.07272	0.7
257.04449	1.2
259.09653	26.2
271.05933	1.1
272.06769	4.0
286.05023	0.5
286.08371	2.1
287.09131	32.0
289.49710	0.6
300.05954	0.5
301.07031	1.6
315.08612	17.6
317.06473	2.4
333.09677	50.3
339.12326	0.5
399.10806	1.5
415.73608	0.6
417.11722	2.1
561.28369	0.6
579.20453	0.8
579.34552	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38750	5.5
55.01873	7.4
55.05524	14.9
57.03432	17.5
57.07052	7.7
63.09749	6.4
67.05504	42.1
69.07068	18.6
69.27173	67.7
79.05476	26.7
81.03422	7.6
81.07053	43.7
83.01337	10.0
83.04961	9.7
83.08617	19.4
91.05460	7.8
93.07052	19.0
95.04953	7.4
95.08598	31.8
97.06543	7.0
102.43314	7.3
105.07043	17.3
107.04971	6.6
107.08595	16.6
109.10166	13.4
118.57388	6.0
119.08595	11.9
121.10145	10.9
123.11751	7.9
133.10123	8.9
135.11736	12.9
145.10121	12.5
163.11206	14.2
202.12746	5.8
209.11784	7.2
283.15387	98.6
337.27322	70.2
545.38367	33.5
580.38953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.207
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.01621	0.2
52.75817	0.1
53.03919	0.5
55.01851	0.3
57.03423	0.2
61.02905	0.4
65.03934	1.1
66.04704	0.2
67.05516	0.1
69.03433	1.6
69.30378	0.8
69.30804	0.6
73.02911	0.3
77.03905	0.3
78.04712	1.8
79.05496	0.9
81.03394	0.6
81.07053	0.4
82.04187	0.4
85.02429	0.1
85.02907	2.6
91.05482	1.1
93.03391	0.4
94.04182	0.2
95.04963	0.8
96.05696	0.2
97.02903	1.0
97.06495	0.5
98.20753	0.4
103.05476	1.3
105.03341	0.2
105.04520	0.3
106.04169	1.7
107.04959	1.3
108.02089	0.2
109.02881	0.3
110.03624	0.5
115.05463	3.1
117.07019	6.0
120.02106	0.2
122.03613	0.2
123.03542	0.3
123.04432	5.8
124.05212	2.1
125.05950	0.5
127.03877	0.4
127.05438	1.0
131.04910	0.4
134.03604	0.4
135.04425	0.2
137.06000	0.5
138.03091	0.4
142.02612	0.3
143.04878	0.5
144.05688	0.3
145.06485	9.8
147.08000	0.6
151.03862	1.2
152.04665	2.0
153.05441	0.6
155.04849	0.4
155.06029	3.5
155.07236	0.2
161.06032	0.5
165.05490	0.2
167.07036	100.0
168.07364	0.6
171.06516	0.9
173.05980	20.7
174.06461	0.2
175.07545	0.7
181.04953	22.3
182.05321	0.2
189.05522	0.2
190.06158	0.3
201.05429	0.7
203.07018	0.3
205.08606	4.6
207.10275	0.3
221.08057	0.3
233.08090	5.6
235.09665	5.0
280.07236	0.2
355.11530	0.2
387.14389	18.2
417.15417	12.4
418.16034	0.3
561.22565	0.2
563.80420	0.2
579.20721	44.7
580.21179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03953	0.4
61.02904	0.5
65.03916	0.5
67.05494	0.4
69.03440	1.8
69.03739	0.4
69.35547	2.9
69.59473	0.3
74.47854	0.3
77.33401	0.3
78.04710	2.0
79.05496	0.8
81.03374	0.8
82.04148	0.4
85.02898	2.1
91.05473	1.3
93.03403	0.5
95.04936	0.6
97.02899	0.7
97.06533	0.5
103.05445	1.2
105.06985	0.4
106.04143	1.5
107.04941	0.9
110.03644	0.5
115.05440	2.9
117.07014	5.8
119.08572	0.4
123.04424	6.0
124.05206	2.2
125.05977	0.6
127.05421	1.1
134.03595	0.4
137.05931	0.5
137.28568	0.3
138.03140	0.4
142.02628	0.6
144.05681	0.4
145.06480	9.0
147.08011	0.5
151.03915	1.0
152.04688	1.4
153.05492	0.8
155.06033	3.5
161.05933	0.6
167.07036	100.0
168.07422	0.9
171.06552	0.7
173.05983	20.8
174.06425	0.3
175.07503	0.8
181.04956	21.5
191.06993	0.4
201.05556	0.8
205.08624	3.8
233.08089	5.9
235.09654	3.6
306.09741	0.3
369.13199	0.4
387.14383	17.5
417.15427	12.9
579.20734	48.9
580.20789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	0.8
55.05495	0.4
56.96556	0.4
57.03426	0.4
61.02932	0.8
65.03922	1.2
67.05487	1.4
68.40335	0.3
69.03404	1.7
69.38141	2.8
69.38544	0.5
70.77225	0.3
71.04985	0.6
73.02904	0.5
74.46727	0.4
78.04715	1.7
79.05490	2.1
81.03397	1.4
81.07060	0.7
82.04192	0.6
83.04934	0.5
84.08093	0.3
85.02904	3.5
91.05486	1.7
93.03385	0.4
93.07031	0.9
95.04952	1.0
95.08583	0.5
97.02867	1.0
97.06503	1.1
98.97572	0.7
103.05462	2.2
105.03364	0.4
105.07011	1.1
106.04160	1.4
107.04963	2.2
107.08592	0.4
107.44270	0.4
108.02084	0.4
109.02872	0.8
109.10140	0.6
110.03674	0.7
111.04446	0.4
115.05450	2.6
117.07021	6.3
119.04915	0.3
119.08579	0.7
121.06477	0.7
121.10114	0.6
123.04436	6.4
124.05190	2.3
125.06033	0.6
127.03898	0.6
127.05430	1.1
131.04912	1.5
133.06480	0.9
133.10121	0.4
135.04381	0.6
137.05971	2.5
142.02599	0.8
143.04973	0.6
144.05748	0.5
145.06476	10.4
147.04387	1.1
147.08006	0.8
147.11632	0.4
151.03885	1.4
151.07550	1.1
152.04633	1.2
153.01801	0.8
153.05447	0.9
155.06013	3.0
157.06456	0.5
159.07971	0.4
161.05933	1.0
163.03867	1.1
163.07521	0.6
167.07031	100.0
168.07367	0.5
171.06586	0.9
173.05971	19.6
175.07542	0.8
177.05397	1.0
177.09061	0.6
179.07057	0.4
181.04951	24.1
191.07042	2.4
193.08627	0.6
201.05496	0.8
205.08623	4.9
212.80568	0.4
214.41682	0.4
217.08594	0.4
222.41641	0.4
229.55156	0.3
233.08025	5.4
235.09619	4.9
237.09108	0.4
247.09558	0.4
251.12773	0.8
255.24796	0.3
273.07611	0.5
313.03351	0.4
314.11359	0.4
337.10574	0.5
340.78882	0.4
355.08029	0.6
387.14355	18.6
399.10666	0.6
399.15121	0.5
417.15549	13.0
547.19458	2.9
579.20660	46.0
579.35358	1.5
580.21240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33955	2.7
53.03931	7.2
53.22060	2.9
54.42008	2.7
55.01863	7.1
55.05512	41.2
56.53403	2.9
57.03433	11.6
57.07067	7.2
62.41719	2.9
63.99922	3.3
65.03950	7.6
67.05164	5.7
67.05508	92.3
69.03427	4.5
69.07066	28.5
69.91405	6.3
69.91811	12.2
70.97861	3.7
71.05003	17.4
79.05495	74.0
81.03422	26.0
81.07059	100.0
83.04977	13.6
83.08612	22.1
85.02920	3.4
85.06540	12.0
87.04431	2.8
91.05478	69.4
93.07048	79.0
94.32332	3.5
95.04981	19.2
95.08611	66.5
97.06532	13.9
97.10180	21.4
99.08074	3.5
104.78922	3.0
105.07027	53.4
107.04974	5.2
107.08602	49.2
109.06527	7.3
109.10162	39.2
111.08082	6.5
115.05501	3.9
115.33306	3.1
117.07020	22.7
119.08582	41.9
121.06519	7.9
121.10136	37.0
123.08076	8.0
123.11719	12.2
125.09612	16.9
129.07013	15.9
131.08575	34.5
133.10127	31.9
135.08041	4.3
135.11697	24.1
137.09671	4.0
137.13252	6.4
139.11169	4.5
141.07004	5.0
143.08600	19.1
145.10120	31.4
147.11682	31.1
149.09578	6.6
149.13257	8.4
151.11218	4.2
153.09061	3.5
153.12782	3.8
155.08562	8.1
155.43857	2.9
157.10098	14.9
159.11664	22.5
161.13263	15.2
163.11191	4.3
163.14786	3.9
169.10161	8.1
171.11687	12.0
173.13222	17.6
175.11198	5.5
175.14864	9.8
177.12723	5.0
181.10178	4.2
183.11694	6.1
185.13222	15.8
187.14880	6.0
189.11234	10.9
193.12242	7.4
195.11694	3.6
197.13322	7.6
199.14848	7.4
209.13326	3.9
211.14793	4.4
213.16411	3.3
223.14890	3.7
227.12837	18.7
239.16373	3.8
253.27858	3.4
261.22018	7.6
267.15878	25.1
285.22150	5.8
287.23441	4.9
289.21771	5.7
301.25186	12.9
303.23264	4.7
327.23615	5.5
333.24405	4.0
335.25751	19.7
341.24637	3.9
363.25198	8.2
369.94501	3.2
417.31467	6.7
435.27130	5.7
435.32501	19.1
453.33551	14.9
471.34525	8.9
491.35226	4.1
509.36221	10.0
527.29980	4.7
527.37347	65.7
545.38489	54.7
559.39484	9.5
577.36890	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	573.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48708	2.5
69.49114	1.3
69.96737	0.5
73.02853	0.6
81.07028	0.5
83.89336	0.5
85.02917	0.6
90.87074	0.5
95.08572	1.1
98.20774	1.2
98.97582	0.9
100.86284	0.5
105.06987	0.5
109.10109	0.6
120.67730	0.5
145.10042	0.6
203.05299	2.5
216.40535	0.6
245.06334	0.8
251.12508	0.6
275.07343	2.4
309.13553	0.7
317.08432	0.5
333.08032	1.1
335.09476	28.8
393.26099	6.2
411.26895	1.2
441.24808	2.6
453.17856	0.7
512.19745	0.7
573.28571	100.0
574.28723	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	573.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20533	0.8
79.05462	0.4
85.02869	0.9
91.05471	0.4
93.07035	0.5
95.08596	0.6
98.97551	0.6
105.07036	0.5
107.08588	0.4
135.11708	0.3
140.81058	0.3
146.95363	0.3
155.03111	0.4
203.05309	2.1
225.88565	0.3
227.31087	0.3
245.06110	0.4
257.06342	0.3
261.18274	0.4
275.07385	2.5
317.08484	0.9
333.07782	0.9
335.09479	28.3
337.19788	0.4
393.25919	0.8
411.26862	0.5
441.24597	2.7
450.78952	0.3
573.28607	100.0
574.29132	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	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.8
57.03432	15.6
57.07088	33.4
61.03842	5.7
67.05502	22.9
69.07058	15.3
69.33131	15.6
69.33539	46.3
71.08630	23.4
78.60217	7.3
79.05488	10.5
81.03413	44.9
81.07040	18.5
83.08598	23.9
85.10185	10.9
87.04428	8.4
91.05463	15.0
93.07042	13.3
93.29538	6.9
95.04950	15.5
95.08603	21.3
98.90626	6.2
105.07024	9.3
107.08542	12.2
109.10161	7.4
147.11650	9.0
157.10060	6.9
175.11134	7.8
189.76337	6.7
193.12215	17.1
267.15948	100.0
268.68863	5.9
313.27328	85.3
314.85889	6.0
317.45343	6.9
505.38950	64.0
576.41260	13.0
576.84412	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	572.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.0
59.95821	0.6
66.36108	0.7
67.98516	0.7
71.60020	0.9
79.05475	0.8
80.48996	0.6
85.02892	1.8
91.05486	1.2
92.49600	0.6
93.07044	1.3
98.97583	1.9
103.05471	6.9
107.04937	3.7
120.08112	100.0
121.06516	0.8
127.03944	0.8
127.07420	0.6
131.04948	2.7
133.02849	1.3
137.05971	1.2
149.05969	2.5
163.03896	1.9
165.05475	1.5
166.08649	49.9
167.07021	1.6
177.05505	3.2
197.08134	3.7
209.08075	3.3
219.01746	1.5
227.09204	1.4
351.57056	0.6
367.70056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.6
71.61758	0.4
81.03417	0.8
81.07023	0.5
85.02911	2.5
88.56579	0.4
91.05487	0.7
94.04180	0.9
97.02892	0.9
98.97572	0.8
103.05473	0.9
103.73258	0.3
105.07013	0.8
107.04951	0.7
109.32700	0.3
110.07187	0.4
111.92171	0.3
119.04981	0.6
119.08591	0.5
122.03635	2.5
123.04426	0.3
131.04945	2.6
133.06461	0.5
137.05980	100.0
138.06355	0.8
151.07567	1.3
163.07533	5.3
167.07059	1.4
175.07561	0.8
181.08594	9.9
194.00975	0.3
209.08060	0.5
213.09482	0.4
213.11142	1.8
219.01735	0.4
322.63467	0.4
498.24469	0.4
572.27496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59581	0.4
63.20356	0.4
71.04974	0.6
71.61349	0.6
78.20650	0.4
85.02888	1.1
93.07046	0.9
106.69176	0.4
121.10132	0.5
121.94636	0.4
131.08630	0.5
155.03079	0.4
160.97791	0.4
179.55728	0.4
192.44981	0.4
201.03676	1.3
203.05284	1.5
275.07413	1.8
294.85989	0.4
333.07907	32.4
334.08307	0.5
335.09494	22.1
408.54764	0.4
443.67572	0.4
573.28760	100.0
574.28784	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	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05502	1.1
55.32266	0.4
67.05492	1.2
69.03407	1.1
69.07060	0.8
71.62203	0.8
73.02902	1.9
79.05489	0.7
81.03416	1.0
81.07037	1.8
85.02891	1.8
85.06551	1.2
86.09695	0.9
91.05447	0.9
93.07032	1.8
95.04993	1.0
95.08580	2.0
97.02872	1.4
98.97604	0.7
99.08074	0.9
104.10737	1.3
105.07035	2.3
107.04943	0.8
107.08589	1.3
109.06558	0.8
109.10126	1.1
115.03922	0.5
119.08568	1.6
121.02831	1.8
121.10141	1.8
123.04414	0.6
123.08057	0.6
125.09616	0.9
127.03936	0.7
131.08546	0.8
133.10112	1.3
135.08067	0.5
137.06044	0.8
139.03867	0.5
143.08618	0.6
145.10114	1.2
147.11691	0.8
151.07559	0.6
157.03484	0.5
157.10118	0.7
158.99509	0.5
159.05638	0.5
159.11674	0.9
161.05997	1.0
163.03891	1.0
163.14861	0.5
167.07069	5.7
168.07343	0.5
171.11716	0.6
173.13319	0.6
184.07336	1.5
187.14760	0.7
201.16434	0.7
203.05229	4.0
210.06660	0.5
221.11481	8.0
235.13028	1.1
244.52519	0.5
251.12560	0.6
259.20615	3.9
329.15741	0.5
335.09433	3.1
335.18213	0.7
337.10529	0.5
359.16800	0.8
373.18491	5.0
373.22940	0.6
391.24539	8.5
409.25778	3.3
439.23291	0.9
527.28668	1.6
571.31342	100.0
572.30499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40662	1.4
79.05489	1.8
85.02904	1.6
91.05464	2.3
93.07040	1.9
95.04966	1.0
95.08584	1.1
98.99686	0.8
103.05423	1.3
104.06253	0.8
105.07027	8.7
107.04948	1.9
110.95580	0.8
115.05470	2.4
117.07014	2.4
118.04181	1.0
119.04935	1.0
121.06496	2.5
123.04441	1.3
123.08080	1.5
128.01060	0.8
128.06279	0.8
129.05424	0.8
129.06985	1.4
131.04947	1.7
133.06499	7.4
135.08044	0.9
137.05968	3.0
145.06577	1.0
147.04483	0.9
149.05986	1.2
151.07515	7.3
153.05449	1.1
157.06413	1.6
161.05995	11.4
162.06778	2.0
167.07043	14.5
171.08023	0.9
175.07562	2.7
177.09108	100.0
181.08566	6.9
189.05151	0.7
189.09094	5.7
191.07040	1.7
193.08603	45.8
195.10141	3.0
197.09766	0.8
203.10655	1.2
207.10146	0.9
218.77942	0.8
221.11740	16.8
253.08595	1.4
257.11765	1.6
270.32123	0.9
283.09674	1.0
285.11148	2.1
315.12280	1.4
317.13696	2.1
341.13663	1.9
343.15399	2.4
361.16449	21.4
372.20178	0.9
373.16452	2.6
508.93723	0.9
570.25702	2.2
570.33783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23943	0.6
57.49837	0.6
60.38401	0.6
61.02895	0.9
64.25560	0.7
69.03426	2.4
70.65355	1.8
73.02960	0.7
73.29830	0.6
79.05486	2.3
81.03407	1.3
81.07047	0.8
85.02899	5.6
91.05460	4.3
93.07036	3.4
95.04932	1.3
95.08587	0.8
97.02896	1.9
98.97588	0.9
103.05468	3.2
103.77466	0.6
104.82616	0.6
105.07046	2.8
105.99287	0.6
107.04958	6.2
109.02885	1.1
109.06544	0.8
115.05463	1.0
117.07020	1.6
119.04953	1.7
121.06507	4.9
123.04408	1.0
124.05252	1.5
125.06036	0.7
127.03902	1.4
129.06989	6.0
131.04919	2.3
131.08560	2.6
133.06467	1.1
135.04433	0.7
135.08086	1.2
137.05995	5.4
145.04958	1.2
145.06464	1.7
147.04387	1.1
147.08037	0.9
149.05989	1.2
151.03957	1.0
151.07530	6.0
152.04727	1.1
153.05472	3.8
155.07074	0.9
157.06479	5.8
159.08090	1.0
161.05991	10.4
161.09569	3.1
163.07549	6.3
165.07013	0.8
165.09123	2.0
166.06255	2.1
167.07050	27.9
167.08493	1.6
171.08002	0.8
174.06758	3.0
175.07532	4.9
177.09048	3.3
179.07109	1.2
179.08507	1.1
180.08698	2.1
181.05125	1.4
181.08597	32.0
181.43092	0.6
189.09105	22.7
191.06975	1.6
191.08540	1.3
193.08659	1.9
195.08109	2.3
197.09616	2.9
205.06647	0.7
207.08116	1.2
207.10187	4.6
208.08823	0.6
210.06750	0.9
219.08066	1.5
219.10181	2.9
223.07571	1.5
223.11182	0.8
225.09042	4.2
227.07080	0.8
229.12289	1.1
235.07509	0.9
237.09099	0.9
239.06969	1.3
240.07820	1.4
242.09479	1.0
247.07512	0.8
251.06999	1.4
251.10847	1.2
253.08600	4.7
255.10263	1.1
256.07349	0.6
257.11676	4.9
265.08679	1.2
270.08932	1.6
271.13358	1.3
279.10226	1.8
283.09592	3.6
283.13245	2.8
285.11197	9.0
297.11255	1.1
302.11520	1.7
305.13730	1.0
311.12732	2.3
315.12225	5.0
317.13855	10.0
329.13837	1.8
331.15402	3.1
343.15372	19.0
343.19574	0.9
361.16455	100.0
362.17078	1.2
373.16544	1.9
450.85242	0.6
478.34760	0.8
570.25653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05492	0.8
67.05485	1.9
67.24302	0.6
67.41156	0.6
69.03408	1.2
69.07046	1.3
71.61376	0.9
73.02880	0.7
79.05470	1.3
81.03416	0.8
81.07036	2.5
85.02880	1.4
91.05463	1.4
93.07014	2.0
95.04960	1.3
95.08605	3.5
97.02903	0.9
97.06453	1.2
98.33443	0.7
98.97588	0.9
103.05424	0.7
105.07011	2.3
106.67187	0.7
107.08586	1.8
109.10149	1.0
116.98634	0.9
119.08556	1.3
121.10100	1.5
123.11685	0.8
131.08537	1.1
133.10081	1.2
135.11665	0.8
137.05952	1.2
145.10095	1.8
151.03883	0.7
151.07509	1.2
157.10081	0.9
159.11714	1.2
163.03955	0.9
163.11113	0.8
167.07050	6.4
173.13206	0.7
187.14796	0.8
193.08580	0.9
197.13193	0.7
201.16364	0.7
224.99339	0.6
249.02763	1.1
257.18741	0.8
291.03717	1.7
389.23059	0.8
407.23856	1.0
569.23187	100.0
570.23242	1.9
594.76672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40662	1.4
79.05489	1.8
85.02904	1.6
91.05464	2.3
93.07040	1.9
95.04966	1.0
95.08584	1.1
98.99686	0.8
103.05423	1.3
104.06253	0.8
105.07027	8.7
107.04948	1.9
110.95580	0.8
115.05470	2.4
117.07014	2.4
118.04181	1.0
119.04935	1.0
121.06496	2.5
123.04441	1.3
123.08080	1.5
128.01060	0.8
128.06279	0.8
129.05424	0.8
129.06985	1.4
131.04947	1.7
133.06499	7.4
135.08044	0.9
137.05968	3.0
145.06577	1.0
147.04483	0.9
149.05986	1.2
151.07515	7.3
153.05449	1.1
157.06413	1.6
161.05995	11.4
162.06778	2.0
167.07043	14.5
171.08023	0.9
175.07562	2.7
177.09108	100.0
181.08566	6.9
189.05151	0.7
189.09094	5.7
191.07040	1.7
193.08603	45.8
195.10141	3.0
197.09766	0.8
203.10655	1.2
207.10146	0.9
218.77942	0.8
221.11740	16.8
253.08595	1.4
257.11765	1.6
270.32123	0.9
283.09674	1.0
285.11148	2.1
315.12280	1.4
317.13696	2.1
341.13663	1.9
343.15399	2.4
361.16449	21.4
372.20178	0.9
373.16452	2.6
508.93723	0.9
570.25702	2.2
570.33783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94939	3.3
55.01863	6.4
55.05499	11.5
57.03443	16.4
59.04980	4.1
61.02900	6.8
61.54975	3.4
67.05495	12.6
69.03434	26.6
69.07068	17.3
69.52927	24.8
71.01335	4.3
71.04989	22.9
73.02917	28.5
79.05491	22.6
81.03411	6.9
81.07059	91.7
83.08603	6.6
85.02412	5.9
85.02901	68.7
86.12975	3.0
91.05478	17.7
93.07049	42.3
95.04948	3.8
95.08612	31.0
97.02894	42.3
97.10168	5.7
99.04443	7.5
99.08121	4.3
105.07030	59.1
107.08593	57.8
109.02889	7.0
109.06504	3.6
109.10157	38.6
114.83495	3.0
115.03951	15.4
117.07032	4.4
119.08577	86.0
121.10148	9.7
123.11716	20.8
125.09634	8.1
127.03947	18.5
127.11185	37.2
133.04990	31.8
133.10120	39.5
135.10672	5.2
135.11694	100.0
137.05974	5.3
137.13239	3.9
143.10672	31.0
145.04959	30.3
145.06065	3.7
145.06496	3.3
147.11668	25.1
149.13188	7.4
153.12727	7.6
157.10149	3.8
159.11740	3.3
161.13248	11.5
163.06015	18.9
163.14816	7.1
175.07588	6.1
203.17949	61.0
213.10150	3.0
221.19003	74.1
223.05939	4.9
227.08098	7.2
231.57603	3.0
240.08994	9.8
241.07083	9.1
241.09732	20.6
253.09822	10.0
254.10654	3.4
259.08182	23.1
277.09262	6.5
281.09207	11.9
295.10248	15.2
299.10248	30.0
300.10968	10.3
313.11810	6.7
373.13916	71.6
419.06055	3.2
460.18399	3.7
477.53601	3.3
522.18646	11.8
530.31927	3.5
550.18512	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03941	4.3
55.05520	13.3
57.07071	10.9
57.30001	1.4
65.03933	3.1
67.05514	18.4
69.03418	2.2
69.07068	13.3
69.52852	9.4
70.06572	4.2
71.08624	3.3
79.05492	20.4
79.12088	1.5
80.06260	4.1
81.07063	33.2
83.04982	4.3
83.08614	4.8
85.06547	5.0
88.07623	6.8
91.05479	40.3
92.06276	2.6
93.07051	49.9
94.07838	2.4
95.04971	35.1
95.08610	27.0
97.06544	2.1
97.10156	1.7
102.09170	3.4
103.05465	2.4
105.07030	78.1
106.07858	3.6
107.08596	42.1
109.06548	3.3
109.10155	20.2
112.94382	1.5
115.05445	4.7
117.07018	24.2
118.07803	1.7
119.08582	100.0
119.90866	1.3
120.09409	7.7
121.06484	2.5
121.10151	26.0
123.08064	13.5
123.11715	6.2
128.06224	10.5
129.06998	17.8
130.07809	9.8
131.08568	49.0
132.09398	8.9
133.10132	56.8
134.10887	4.7
135.08066	4.9
135.11687	15.2
137.09618	8.3
138.10400	7.8
139.11148	2.8
140.78380	1.7
141.06998	4.9
142.07780	18.2
143.08563	39.8
144.09331	16.6
145.10126	84.9
146.10892	5.3
147.08115	3.2
147.11685	22.2
149.09619	6.6
149.13254	5.4
151.11273	3.5
153.07016	4.0
154.07784	2.8
155.08569	15.5
156.09348	15.9
157.10126	42.9
158.10893	9.3
159.11697	35.3
160.12532	3.4
161.09601	4.9
161.13283	6.4
163.11171	3.3
165.06966	4.8
167.08633	7.6
168.09325	5.4
169.10132	24.8
170.10938	8.2
171.11687	36.2
172.12477	6.4
173.09645	2.0
173.13263	25.9
174.97375	1.6
175.14812	18.6
177.12758	4.9
179.08548	10.2
180.09299	4.1
181.10144	12.9
182.10899	8.8
183.11703	25.9
184.12434	4.6
185.13248	24.0
186.14063	7.9
187.14781	11.7
188.15521	1.8
189.12746	4.3
191.08540	1.8
191.14276	9.6
192.04199	1.6
192.09357	3.5
193.10083	7.8
193.15862	2.7
194.10922	9.6
195.11699	19.0
196.12509	7.2
197.13268	25.2
198.14052	4.3
199.14824	12.4
200.15523	2.4
201.12711	2.8
201.16402	8.7
203.14235	3.2
205.10117	2.5
206.10861	3.3
207.11652	9.2
208.12495	5.4
209.11430	2.2
209.13268	26.2
210.14014	4.2
211.14828	15.3
213.16403	6.5
215.14326	2.1
217.15883	5.8
219.11693	3.3
220.12567	2.0
221.13258	7.4
222.13939	2.4
223.14833	10.7
224.15656	4.1
225.16396	6.1
227.17917	2.4
231.17354	2.3
232.18246	1.6
233.13232	3.6
235.14890	5.9
236.15576	2.5
237.16374	9.3
239.18011	4.6
241.19472	1.8
247.14806	3.5
249.16315	4.6
250.17130	2.5
251.17920	3.1
257.19019	2.1
259.20645	3.5
261.16565	3.2
263.17929	3.2
265.19537	4.1
267.17593	2.2
267.21216	2.1
271.20612	1.7
275.18042	1.9
277.19504	3.7
281.19000	1.8
283.26309	4.1
284.29391	9.8
285.22137	2.8
297.22272	2.7
303.21152	2.4
309.22119	1.9
311.29382	9.9
312.32529	5.2
323.23657	7.2
331.24362	1.6
333.25699	1.9
337.25354	2.6
338.26031	38.2
344.71597	1.5
351.27084	2.1
375.26837	2.0
415.29874	2.3
420.29840	2.9
429.31470	1.6
430.32385	13.6
476.36566	17.3
568.43011	21.9
568.56586	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	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03431	0.7
67.05500	2.9
67.73199	0.6
69.03429	0.8
69.07060	1.6
71.04987	1.1
71.19079	1.0
79.05482	2.3
81.03414	2.0
81.07059	4.8
85.02894	2.9
87.78850	0.5
91.05491	2.2
93.07041	2.3
95.04979	1.6
95.08607	3.7
97.06543	0.7
104.75694	0.5
105.07046	2.6
107.08598	2.4
109.10167	2.1
110.97628	0.7
111.04465	1.1
119.08569	2.7
121.10152	2.5
123.11713	0.8
131.08577	1.7
133.10133	1.6
135.11702	1.0
143.08543	1.0
145.10123	2.0
147.11702	2.1
149.09644	0.7
149.13235	0.8
152.16299	0.6
157.10205	1.5
159.11687	1.0
173.13228	0.9
175.11176	1.0
189.16429	0.9
193.12357	1.0
194.10880	0.6
199.14854	0.7
201.16428	1.7
206.14848	0.7
219.01881	0.7
251.12619	1.4
261.71866	0.6
283.15149	10.6
307.15198	1.2
339.17847	5.8
492.12003	0.7
547.83014	0.8
567.31427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
57.03431	7.2
60.05634	3.5
61.02914	9.6
69.03432	19.3
69.07070	12.5
69.85880	7.3
69.86285	7.2
70.06587	6.6
73.02914	7.9
74.32291	3.1
81.03414	7.9
85.02909	55.0
86.09697	3.0
91.05462	3.0
95.04966	4.8
97.02899	25.7
98.32687	2.8
98.97587	11.9
109.02898	4.3
110.97557	2.7
115.76473	2.7
116.98640	5.4
117.03349	6.2
121.06466	5.8
123.04406	3.2
123.30110	2.7
127.03938	12.5
128.06149	2.9
133.10066	3.8
134.03638	3.2
137.05936	16.6
138.06281	3.7
138.16389	2.7
145.02863	25.5
145.04990	14.9
147.04448	5.3
147.11674	3.6
149.05969	11.6
151.07550	8.3
153.07024	9.7
158.99600	3.6
163.03995	3.6
167.07048	10.5
167.08376	3.5
170.07243	3.1
175.14883	3.6
177.00705	3.7
177.05466	63.7
181.06490	15.2
195.06543	17.4
197.11740	7.1
203.52748	2.8
209.06044	7.0
213.09073	14.7
219.01759	5.6
237.02818	6.0
237.09087	5.7
239.12900	6.8
241.08644	18.9
250.06267	5.2
258.08838	10.1
265.08572	13.3
273.11243	100.0
292.07233	5.6
293.08142	19.5
294.08917	4.3
297.11218	8.2
310.08395	4.1
325.10706	36.8
335.09155	6.1
353.10205	76.0
371.11298	6.6
472.78223	3.2
568.17664	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	566.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39875	2.8
55.01864	6.7
55.05502	10.1
56.12295	3.1
57.03431	4.6
57.07082	4.2
58.03988	3.5
59.04982	4.3
67.05501	13.1
69.03425	21.6
69.07069	9.9
69.38999	28.4
71.04990	38.2
73.02903	20.8
73.06542	4.4
79.05490	15.2
81.03382	3.9
81.07054	41.3
83.04971	4.6
83.08620	5.6
85.02911	34.1
91.05490	16.5
93.07044	30.9
95.04985	4.0
95.08611	43.9
97.02879	21.0
97.06530	10.1
97.10148	5.0
98.97572	8.0
99.04475	3.7
99.08125	8.4
100.11257	4.7
105.07033	50.5
107.08608	35.1
109.02869	4.9
109.10157	25.5
110.97531	3.6
114.09187	4.1
115.03938	9.3
116.98650	4.5
119.08564	23.8
121.10125	24.9
123.08028	5.1
123.11708	12.6
125.09625	37.8
127.03933	11.1
127.07562	7.4
127.11214	8.6
131.08545	11.0
133.04979	9.1
133.10129	82.4
133.11070	6.1
135.11684	7.2
143.10680	80.0
145.04950	10.2
145.10124	14.9
147.11703	22.4
149.13263	32.6
151.11201	6.1
157.10129	5.2
159.11720	18.9
161.13248	6.1
163.11157	4.0
166.15964	5.9
167.07085	11.5
167.14319	100.0
169.12207	4.6
173.13336	5.9
201.16405	22.7
212.34135	3.6
219.01700	4.0
219.17435	94.4
225.80870	3.9
237.18507	30.9
259.08084	7.9
333.24173	5.4
351.25250	5.3
538.36548	4.2
566.42474	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01872	6.1
55.05497	10.3
56.96550	8.8
57.03424	12.4
61.02922	6.7
66.14202	2.7
67.05492	13.7
69.03430	26.1
69.07045	10.8
71.04993	51.2
71.61358	5.7
73.02915	18.6
74.67911	2.4
79.05492	19.6
81.03421	7.5
81.06631	4.4
81.07060	55.4
83.04974	5.1
83.08602	8.3
85.02412	4.3
85.02905	66.3
85.06529	7.8
86.03221	3.4
87.00808	3.0
87.04460	4.6
91.05486	14.6
93.07062	26.1
95.08597	27.8
97.02897	26.6
97.06511	16.4
97.10149	8.5
98.97595	22.0
99.04467	3.2
99.08079	11.8
105.07037	68.4
106.07327	3.0
107.08596	38.0
109.02871	8.1
109.06513	5.6
109.10159	27.8
110.97547	4.1
111.08115	3.2
115.03905	7.3
117.07004	6.6
119.08579	30.0
121.06528	4.5
121.10160	19.1
123.08035	2.4
123.11686	11.9
125.09620	38.0
127.03926	13.8
127.07543	9.9
127.11169	14.8
128.98647	3.0
129.05508	6.7
131.08539	11.5
133.04955	11.9
133.10129	97.8
135.11647	6.2
135.22433	3.1
137.05974	5.9
143.10677	100.0
145.04929	10.7
145.10143	19.2
147.11693	29.7
149.13251	17.8
151.11171	11.9
153.01732	3.6
155.46800	2.7
157.54013	2.5
158.99664	7.3
159.11696	19.5
161.13295	19.0
163.03854	8.3
163.06038	3.6
165.12686	3.7
167.07014	5.8
167.14296	37.2
169.12270	4.7
173.13260	5.5
177.00630	2.5
177.12668	3.3
179.14342	4.0
189.00679	3.4
189.16406	3.3
191.17976	3.8
201.16356	22.1
207.17511	4.8
219.01743	4.3
219.17442	90.6
223.05930	3.4
237.02754	7.9
237.06151	3.0
237.14795	4.1
237.18434	25.9
295.10172	4.5
307.44058	3.9
317.06573	15.9
318.06924	33.6
333.24359	4.8
566.30444	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71313	1.9
53.03951	2.3
53.57416	2.0
55.01879	2.4
55.05512	7.0
57.03432	7.1
57.07066	2.9
59.04984	2.7
61.02928	4.8
67.05508	11.4
69.03432	15.9
69.07062	10.1
69.55401	16.0
71.01364	2.9
71.03723	1.8
71.04990	34.1
73.02914	19.1
73.06561	5.0
76.84285	2.1
78.22406	2.1
79.05492	15.1
81.07050	39.9
83.04976	3.2
83.08629	6.3
85.02413	2.8
85.02905	36.6
85.06537	3.4
91.05480	16.2
93.07051	29.4
95.04983	4.4
95.08610	44.0
97.02905	20.4
97.06533	7.4
97.10168	4.5
98.97586	5.1
99.04439	2.2
99.08089	6.6
103.03942	2.5
105.06364	3.9
105.07028	45.5
107.08590	34.9
109.02886	4.4
109.06523	2.7
109.10160	25.0
111.08108	2.0
115.03922	9.3
117.06992	2.5
119.08575	16.9
121.10139	22.6
123.08094	4.3
123.11697	10.0
125.09630	37.0
127.03925	10.1
127.07566	3.5
127.11176	7.2
131.08565	9.3
133.04970	8.3
133.10129	80.0
135.11722	5.9
137.05971	4.4
139.11214	3.7
143.10670	82.2
143.11795	4.0
145.04942	6.6
145.10124	14.5
147.11703	20.1
149.13260	36.4
151.11156	6.2
157.10141	2.2
159.11740	13.8
161.13248	9.7
163.06001	4.2
167.14319	97.2
169.12239	3.9
173.13268	5.2
178.96571	2.1
188.03435	3.5
191.18085	2.1
201.16312	19.7
219.17438	100.0
220.06020	2.7
221.18991	2.7
237.18495	20.6
241.07037	2.6
259.08099	4.5
295.10315	2.6
318.07053	2.9
363.21579	2.5
381.22726	3.4
399.23633	2.9
449.52893	2.2
505.94754	2.2
566.30615	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	565.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71880	0.4
51.94014	0.5
53.03933	1.2
55.01876	0.5
55.05500	1.1
57.03451	0.5
66.04712	0.9
67.05494	2.0
69.03423	1.9
69.07059	1.4
70.88371	1.4
73.02911	0.7
77.03912	0.8
79.05493	3.4
80.71791	0.4
81.03400	1.6
81.07056	3.3
83.04991	0.9
83.08605	0.5
85.02895	3.9
87.00819	1.0
91.05479	1.8
93.07033	1.4
94.04179	1.5
95.04953	1.0
95.08591	1.8
97.02876	0.9
97.06517	1.8
98.97563	0.6
99.04438	0.7
103.05468	3.0
104.47283	0.5
105.07028	1.4
107.04935	1.0
107.08578	1.4
108.05740	0.7
109.02885	1.3
109.06522	12.2
109.10133	1.6
110.10521	0.5
119.08569	2.0
121.10160	0.5
122.81775	0.5
123.11641	0.5
127.03903	1.7
129.06975	0.9
131.04936	7.9
131.08585	1.2
133.10147	1.1
133.11531	0.5
135.04459	0.6
135.11688	1.2
136.07478	0.6
137.05978	10.2
137.07031	0.5
139.07547	1.0
145.05054	0.6
145.10146	1.7
147.11687	0.9
155.07051	5.8
155.08296	0.9
157.10152	1.1
159.02878	1.1
159.11726	1.1
161.05943	0.5
161.13237	0.6
163.07527	2.6
165.03404	0.6
167.07042	100.0
168.07526	0.6
169.10187	0.7
171.11659	1.2
173.13193	1.0
175.07423	0.6
175.14839	0.6
177.16365	0.7
178.08623	3.0
179.09416	1.0
180.10245	0.7
183.11653	0.6
185.13194	0.5
187.14832	0.9
189.16400	0.6
191.18027	0.6
199.07582	0.5
199.14851	0.9
201.16383	0.7
209.08127	1.3
211.14761	0.5
213.09201	0.6
224.40610	0.5
233.07994	0.8
270.44604	0.5
275.09277	0.7
297.14935	0.6
317.13498	1.0
355.15372	0.6
373.16605	3.0
379.10471	0.8
400.56897	0.5
437.80963	0.5
479.18646	1.0
521.20227	3.1
521.26947	0.6
547.41010	2.9
565.18634	5.1
565.26746	0.8
565.34827	0.9
565.42242	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82059	1.8
53.03934	2.3
53.46829	1.5
55.05509	11.9
57.07066	5.8
58.19479	1.4
59.05002	2.3
59.34757	1.7
64.26542	1.6
67.05504	14.9
69.03425	3.8
69.07063	11.4
79.05495	14.6
81.07050	19.2
83.05011	3.5
83.08608	4.0
85.06531	3.3
86.29302	1.7
91.05480	26.8
93.07045	30.2
95.04971	7.5
95.08611	24.4
97.06526	4.2
98.20666	2.5
105.07030	47.5
107.08588	22.1
109.06536	6.9
109.10162	16.6
111.08070	1.9
115.05450	3.8
116.06222	1.7
117.07021	9.6
119.08576	47.0
121.06566	2.7
121.10146	37.0
123.08063	6.2
123.11723	7.2
128.06209	6.1
129.06987	10.6
130.07808	4.5
131.08577	22.4
133.10127	30.6
135.08057	5.9
135.11696	11.9
137.09656	3.7
141.06987	5.2
142.07770	12.8
143.08568	24.1
144.09372	4.4
145.06491	1.7
145.10124	31.3
145.11238	1.9
147.08066	5.4
147.11725	12.5
149.09613	5.5
149.13271	1.8
151.07549	3.2
153.06996	3.2
154.07808	3.5
155.08574	12.9
155.10556	2.3
156.09346	11.6
157.10121	33.9
158.10950	3.8
159.08055	4.5
159.11685	17.9
161.09648	2.6
161.13286	6.2
163.11195	3.4
165.07022	4.1
165.09123	9.4
166.07806	4.0
167.08559	5.3
167.10695	9.9
168.09415	6.0
169.10133	18.4
170.10921	5.0
171.11670	21.6
173.09662	2.6
173.13278	17.1
175.14868	6.9
178.07848	1.7
179.08531	9.5
180.09337	5.5
181.10156	8.7
181.12253	3.7
182.10925	4.5
183.11717	15.6
185.13263	16.2
187.14813	8.0
189.12804	2.8
191.08609	2.0
191.14276	2.3
192.09392	4.6
193.10132	10.6
194.10939	7.3
195.11710	13.2
196.12546	4.6
197.13214	16.4
199.14792	8.0
201.16484	4.0
203.14395	4.6
205.10217	2.3
206.10947	5.1
207.11693	11.5
208.12549	4.7
209.13268	16.8
210.14149	2.1
211.14822	9.7
213.16377	4.0
215.14305	1.9
217.10097	2.0
218.10892	3.2
219.11739	5.4
219.28111	2.0
220.12508	5.1
221.13309	12.0
221.15408	16.0
222.14166	3.3
223.14828	9.4
224.15654	1.9
225.16455	6.3
229.39449	2.1
231.11760	3.0
232.12590	3.3
233.13287	8.7
233.15358	3.5
234.14026	3.2
235.14832	8.7
237.16431	6.0
239.17999	4.3
241.19548	2.3
243.11798	3.9
244.12590	3.3
245.13347	5.4
246.14040	3.2
247.14827	6.1
247.17001	2.0
248.15575	2.1
249.16414	5.0
251.18004	5.9
253.19713	2.8
257.13300	2.4
257.76749	1.8
258.14047	2.5
259.14853	2.6
261.16418	4.4
263.18002	5.4
265.19601	5.2
270.14175	2.2
271.14783	3.3
273.16214	3.8
274.17245	2.8
275.17999	3.5
277.19598	5.5
279.21072	1.7
282.28101	2.7
283.14954	3.2
285.16360	2.4
289.19562	3.8
291.20972	2.1
295.20599	2.3
297.16321	2.0
301.19504	2.1
303.21414	1.8
307.20590	3.4
313.19595	2.3
325.19968	2.8
329.22556	2.4
331.24265	4.6
342.34528	2.0
347.23715	2.5
355.24136	2.2
357.25787	2.0
365.24951	2.4
385.29102	2.1
473.34207	7.9
547.39313	11.6
565.40515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	0.7
55.05516	0.8
56.49471	0.5
65.03939	0.6
66.04719	0.8
67.05503	1.1
69.03429	1.1
69.07056	1.0
71.28275	0.8
72.23032	0.5
79.05493	3.3
81.03393	1.9
81.07047	2.1
83.04984	0.8
83.08545	0.4
85.02911	3.6
87.00804	1.3
91.05476	2.1
91.69131	0.5
93.07046	0.7
94.04175	2.1
95.04987	1.3
95.08591	1.5
97.02866	1.1
97.06523	2.8
97.89295	0.5
98.56056	0.5
100.05614	0.4
103.05495	2.9
105.03365	0.8
105.07008	0.8
107.04951	1.1
107.08576	0.7
108.05754	0.6
109.02866	1.3
109.06522	13.8
119.08595	0.7
127.03924	1.8
131.04933	7.6
131.08527	0.5
135.04436	0.6
137.04980	0.8
137.05984	9.3
139.07533	2.0
142.25175	0.6
145.04924	0.7
152.04730	0.5
155.07037	5.7
159.02766	0.4
159.11742	0.7
161.05939	0.8
163.07567	2.7
167.07047	100.0
168.07425	0.8
173.06024	0.8
175.07530	0.6
178.08540	2.3
179.07037	0.9
179.09444	0.8
181.06725	0.5
187.07584	0.8
189.09184	0.6
209.08157	0.8
213.08928	0.5
215.06895	0.7
215.10605	0.5
233.08221	0.9
275.09128	0.9
327.16107	0.5
355.15466	1.4
356.15884	0.7
369.59497	0.5
373.16428	5.3
379.10324	0.9
397.11578	0.6
458.07233	0.5
521.19794	1.1
547.41211	1.4
565.19073	0.8
565.20538	1.1
565.42194	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	565.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88694	1.3
53.03933	2.1
55.01874	23.4
57.03420	6.1
61.02910	3.9
65.03941	3.8
67.05502	3.3
68.81921	1.5
69.03438	13.6
71.04996	1.6
71.61758	1.5
73.02917	3.1
79.05479	7.3
81.03415	6.1
81.07047	2.9
83.87895	1.2
85.02898	22.3
87.04462	3.0
91.05456	5.5
93.03391	1.5
93.07040	3.3
94.04154	3.6
95.08620	2.1
97.02892	12.3
97.06477	2.0
97.10122	1.3
98.97658	1.8
99.04475	2.3
100.57535	1.4
103.05473	17.9
105.07034	8.5
106.79182	1.5
107.04949	15.9
109.02879	2.8
115.05441	8.4
117.07034	6.6
119.08556	2.8
121.06502	4.3
122.03641	5.6
123.04392	4.2
124.05202	2.7
125.06001	3.1
127.03893	3.3
131.04005	2.6
131.04924	37.6
133.06465	6.9
133.10115	1.9
136.33894	1.4
137.05981	100.0
139.92871	1.3
142.02676	1.7
143.04953	2.8
144.05600	1.6
145.04961	1.6
145.06474	8.5
147.04431	2.2
147.08089	3.0
149.05984	2.3
151.03932	13.4
153.05434	3.6
155.06015	1.9
159.04398	2.5
159.11725	1.8
160.05167	3.8
161.06009	12.8
163.07562	19.4
167.05609	3.1
167.07039	64.3
169.85045	1.3
171.04402	4.8
171.06549	1.5
173.06033	7.6
175.07545	7.7
177.05452	7.5
179.07051	2.6
181.04955	44.2
187.07495	1.7
189.05495	2.2
191.07085	8.1
193.08633	7.0
194.05692	1.8
203.07062	13.6
205.08574	8.1
207.06479	5.2
208.07236	1.7
209.08003	3.0
219.06563	6.8
221.08089	5.4
223.09607	3.6
233.08105	7.1
235.07491	1.7
235.09619	4.2
251.09140	33.0
289.10779	7.3
327.12244	1.9
353.42157	1.5
357.13297	9.4
372.29144	1.3
373.12750	9.2
385.13040	8.2
387.14383	8.9
403.13910	26.1
565.19165	43.9
565.28522	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	565.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	1.0
55.05513	0.5
57.03428	0.8
57.07063	0.5
59.01895	0.4
61.02918	0.6
67.01870	5.8
67.05478	1.1
68.48829	0.4
68.99799	2.4
69.03426	3.2
69.07059	1.1
71.04978	0.7
71.61040	0.6
73.02910	0.5
73.12139	0.4
79.01830	0.4
79.05486	1.8
81.03429	3.3
81.07037	1.6
83.01328	0.6
83.04979	2.1
85.02898	6.4
87.00814	1.4
91.05469	1.9
93.07027	0.8
95.04994	0.8
95.08585	1.4
97.02914	2.6
97.06531	2.8
98.33132	0.5
98.97577	1.4
99.04448	1.1
103.05462	1.3
105.01839	0.9
105.07037	2.4
107.04958	1.3
107.08586	1.4
109.02885	2.7
109.06554	0.5
109.10194	1.2
110.97488	0.4
111.04475	0.9
115.03883	0.6
115.05473	0.6
117.06961	0.7
119.04954	0.7
119.08569	1.6
120.01720	0.4
121.06489	0.7
121.10151	1.2
122.03591	0.4
123.04430	1.1
123.11697	0.5
124.05206	0.5
125.02386	0.5
127.03931	3.1
128.98567	0.4
129.01830	1.2
131.04915	0.6
131.08580	0.9
132.05724	0.8
133.02870	1.5
133.06456	1.1
133.10104	0.9
133.69650	0.5
135.04448	0.6
135.11737	0.7
137.05968	3.7
139.07504	0.8
143.04898	0.5
145.04938	1.4
145.06433	0.8
145.10201	0.7
147.04442	1.0
147.08009	0.6
147.11661	0.7
148.05180	1.8
149.05980	0.9
150.06767	1.5
151.03925	0.9
151.07552	3.5
153.01826	100.0
154.02148	0.7
157.10054	0.5
159.02911	1.0
159.07948	0.5
160.05135	0.9
161.05965	1.0
161.09575	0.6
163.03891	0.5
163.07547	6.0
165.05450	1.3
165.09120	6.8
167.07045	4.5
171.02885	28.7
173.05940	0.7
173.09732	0.5
173.13254	0.6
175.07524	0.9
176.04637	0.8
177.01855	0.7
177.05470	0.8
179.03391	11.8
181.04919	1.8
183.07988	0.6
187.14705	0.5
189.09180	0.5
189.16400	0.6
191.07028	26.5
193.08592	0.9
195.02922	3.2
215.07057	0.5
217.04961	0.5
217.08636	0.6
218.66902	0.5
219.01688	0.7
231.04964	0.6
233.08136	0.5
237.02815	1.1
251.06868	0.7
265.08624	0.5
299.09106	2.0
303.08636	2.8
317.10196	81.8
318.10550	1.1
341.10327	0.5
359.11234	0.6
365.09686	0.5
365.22913	1.4
373.16577	2.3
383.10745	0.6
385.13058	0.6
435.68069	0.5
521.31000	1.1
535.19781	0.6
541.75299	0.6
542.24786	0.5
547.29358	0.8
564.35046	0.6
565.20575	3.2
565.30176	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	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54949	0.5
52.41958	0.6
52.83745	0.6
53.03925	0.8
55.01868	1.8
62.76267	0.5
63.02361	0.6
65.03931	1.3
67.05500	1.0
69.03425	2.4
69.07076	1.1
69.38012	1.2
69.38418	3.9
73.02910	1.6
81.03438	1.2
85.02914	3.9
86.06090	0.6
89.03880	0.6
91.05476	1.8
95.01086	1.5
95.04986	1.2
97.02895	1.9
97.06511	1.2
98.97578	1.4
99.04452	0.7
100.29464	0.6
103.05467	1.0
107.04961	1.4
109.02894	0.9
109.10162	0.9
111.04449	1.0
113.02152	0.9
115.03965	0.7
116.98567	0.7
117.03375	1.1
119.04936	0.8
122.03619	0.8
123.04450	0.9
125.06007	1.2
127.03944	1.1
127.07574	3.0
131.04941	1.6
137.05983	14.4
145.02861	4.1
147.04488	1.1
147.35004	0.6
151.03905	5.0
153.05455	1.8
155.07111	0.7
157.04811	0.8
159.04483	0.8
161.05981	1.2
163.07513	0.8
167.07051	3.2
174.77690	0.6
175.07552	1.0
177.05443	5.9
181.04970	14.7
185.04257	2.6
191.07062	1.3
193.08760	0.7
201.03787	1.5
203.05247	9.8
205.04712	1.4
206.05519	7.9
207.06445	1.0
209.08176	0.8
221.07959	0.6
237.02913	1.0
249.07550	2.9
251.09081	0.8
253.15697	0.8
355.11569	3.3
373.12781	2.2
385.12802	0.8
403.13974	4.4
535.18024	0.7
565.18970	100.0
566.19525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.05505	29.7
57.03420	23.7
61.02917	9.6
61.14139	6.0
65.03919	7.2
67.05508	83.5
69.03421	14.0
69.07065	34.0
71.04978	7.4
71.21763	13.6
73.02931	7.2
79.05496	76.1
81.03398	11.5
81.07053	93.1
83.04968	16.6
83.08625	13.5
84.37644	5.3
84.97273	6.1
85.02890	20.1
91.03964	10.2
91.05470	70.0
93.07042	100.0
95.04936	16.6
95.08610	45.1
97.02895	17.7
97.06535	17.1
97.96717	5.8
105.07033	63.9
107.08585	52.7
109.06497	11.2
109.10141	15.4
117.07014	21.2
119.08586	47.2
121.06522	10.3
121.10155	31.5
123.08037	6.0
123.11694	8.7
129.07019	12.7
131.08527	27.4
133.10158	46.9
135.11679	19.5
137.05864	6.3
141.05098	5.5
143.08525	10.8
145.10123	18.4
147.11646	29.9
149.09607	14.1
149.13239	28.8
159.11662	29.0
161.13232	19.4
163.14816	8.6
171.11748	9.5
173.13246	12.0
174.27579	5.8
175.14806	8.0
177.12802	8.9
185.13138	7.0
195.13806	10.0
229.14380	9.7
241.19554	18.9
259.20596	46.0
269.17502	61.8
275.20026	12.9
333.24072	11.8
351.25403	45.7
396.90186	6.4
503.27966	5.8
521.35101	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	565.1186
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02370	0.2
53.03734	0.2
53.03946	2.3
55.01873	1.9
56.96535	0.2
57.03435	1.1
61.02922	1.2
65.03928	0.2
68.99789	1.0
69.03429	6.9
70.08042	0.2
70.08443	0.4
71.04990	1.3
73.02910	1.7
79.05419	0.2
81.03415	8.3
81.07053	0.2
83.01331	0.2
85.02903	12.6
87.00829	5.3
91.03935	0.4
92.02600	0.9
93.03407	1.1
95.08601	0.3
97.02891	4.5
98.21380	0.2
98.97595	1.1
98.98151	0.2
99.04453	2.9
105.01868	2.6
105.06963	0.2
109.02875	7.0
110.97591	0.3
111.00764	0.3
115.03951	0.4
116.98594	0.2
117.01877	1.5
119.08563	0.2
121.02901	0.8
123.11657	0.2
126.03112	0.4
127.03914	9.9
128.98639	0.2
129.01859	0.9
129.02649	0.2
135.11624	0.3
137.02235	0.2
137.05901	0.2
139.03934	0.9
145.04965	2.6
147.02911	0.6
150.03072	0.2
151.03903	0.8
153.01823	7.1
157.10313	0.2
158.99673	0.4
159.02887	4.0
162.12811	0.2
163.03876	0.2
165.01822	0.6
170.99686	0.4
182.99692	0.3
183.02794	0.2
185.03854	0.2
201.00679	0.2
201.05484	0.6
203.03375	0.3
217.04977	0.6
218.05791	0.4
219.01740	0.5
228.04156	1.5
229.04965	3.2
231.03009	0.4
231.04855	0.8
237.02689	0.4
243.06548	0.3
245.04494	1.1
246.05261	1.8
249.06187	0.2
256.03674	0.3
257.04443	2.6
260.03262	0.2
261.02698	0.2
261.07565	0.3
271.05972	0.4
273.03928	1.7
274.04681	3.9
284.03192	0.5
285.03961	4.2
287.05347	0.2
288.06235	0.2
301.03525	0.3
302.04208	11.7
317.06543	100.0
318.06937	1.4
338.83926	0.2
359.07657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39951	3.1
51.83690	2.9
54.49977	2.9
61.02922	5.6
61.41640	3.0
69.03413	7.7
69.71128	21.0
85.02898	21.5
92.06301	3.3
97.02859	6.0
103.05444	4.2
105.74563	3.8
115.05512	3.9
118.04200	3.4
119.03451	5.5
131.04918	14.7
138.39789	3.1
141.07025	6.7
143.03410	3.7
145.06511	4.9
157.02850	3.7
157.06543	4.2
161.05975	10.6
167.07043	4.6
169.06534	6.0
171.04388	4.5
173.06030	3.1
180.07895	5.0
185.05994	3.9
187.03880	10.9
189.05530	7.2
191.07056	24.5
193.08604	4.9
197.05994	9.8
203.07085	3.3
204.04173	12.0
205.08653	3.5
213.05568	4.3
215.07077	11.8
217.04892	10.3
217.08553	4.1
219.06487	25.4
229.08583	7.3
231.06613	5.6
235.05972	6.2
243.06490	11.6
245.04498	10.7
245.08109	3.6
247.09683	9.9
257.08151	12.2
260.06839	27.2
262.04608	4.6
263.05466	8.4
273.07434	6.5
275.09146	100.0
277.07144	14.0
287.05627	8.7
301.07053	7.7
319.08173	38.3
337.09204	77.2
475.15002	3.0
512.97772	3.2
573.27234	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	564.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.30634	0.8
55.01855	1.3
56.96550	1.0
57.03427	1.5
61.02921	2.2
69.03431	5.3
71.60617	1.0
73.02907	1.0
81.03409	2.0
84.16970	0.8
85.02907	15.5
89.03925	1.3
95.04929	0.9
97.02884	4.5
98.97579	2.7
103.05484	0.9
105.07004	1.7
107.04913	1.4
109.02868	1.0
117.03371	5.8
119.04944	1.0
121.06514	1.2
123.04410	0.8
127.03904	3.0
133.06509	1.3
135.04414	2.6
137.05949	2.7
139.03934	0.9
141.05472	1.1
145.02863	20.6
145.04913	3.8
146.03593	1.2
149.05963	5.5
151.03967	1.5
152.04706	4.4
158.20015	0.9
158.99754	1.0
159.04411	2.1
161.05974	4.5
163.03917	6.9
167.07050	100.0
175.07538	1.5
177.05476	53.0
179.03410	1.3
181.08557	2.1
183.06482	1.6
187.03885	2.4
189.05440	2.1
191.03394	3.5
191.07037	2.8
195.06429	1.9
201.05414	1.0
202.02524	1.8
203.07014	2.1
209.08095	80.1
210.08322	1.2
211.09636	4.1
217.04971	44.6
219.01814	1.1
219.06551	6.7
223.06099	1.3
229.04982	6.1
231.06467	1.2
233.04469	1.2
235.05986	1.7
243.06517	1.7
245.04591	5.2
247.06061	7.0
249.07532	1.8
262.94699	0.9
272.66095	0.9
275.05453	8.5
289.06970	3.1
293.06564	15.0
302.65170	1.1
305.06534	10.0
317.06503	3.3
335.07581	9.7
353.08679	31.3
367.10168	6.6
385.11014	1.2
565.18414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01868	6.4
55.05516	36.5
57.03431	10.9
57.07064	5.0
63.47293	3.7
65.03930	3.7
67.05168	5.6
67.05506	100.0
67.96622	3.5
69.03419	8.2
69.07066	32.3
71.04982	6.5
71.62318	4.9
75.03832	3.6
79.05496	48.4
81.03436	20.7
81.07058	92.6
83.04965	15.8
83.08630	24.0
85.02921	7.8
85.06544	6.2
91.05479	46.6
93.07045	61.3
94.07398	3.6
95.04954	16.3
95.08607	61.7
97.06548	7.2
97.10166	18.9
99.04472	3.6
105.07027	46.7
107.08590	40.8
109.10162	33.9
111.04448	8.6
111.08059	10.0
115.05412	5.3
117.07008	19.1
119.08590	44.6
121.06464	5.0
121.10160	35.5
122.10462	3.4
123.08088	5.6
123.11666	11.1
125.09630	15.2
125.10459	3.8
129.07021	11.9
130.12729	3.4
131.08583	27.4
133.10124	30.1
134.10423	3.8
135.08087	6.9
135.11670	20.8
140.26099	3.8
141.06989	5.6
142.07715	4.3
143.08521	8.8
145.10152	25.4
147.08101	4.1
147.11664	24.7
149.09570	6.2
149.13220	10.5
153.12775	5.7
155.08534	6.2
157.10144	12.0
159.11652	19.4
161.13243	9.4
161.25725	4.5
163.11200	5.3
169.10150	4.9
171.11714	8.1
173.13243	12.0
175.11243	6.6
175.14760	6.8
175.43127	3.4
181.12184	6.1
183.11720	6.0
185.13269	8.1
187.14861	7.7
189.11205	7.0
193.12196	20.9
195.11713	4.2
197.13326	4.3
199.14761	8.6
201.16307	4.4
211.13341	21.5
227.12769	11.1
229.14221	7.0
233.51984	3.3
243.21135	4.8
252.47919	4.5
261.22116	16.9
285.16943	11.8
301.25143	7.6
303.23239	8.4
317.24600	5.1
335.25732	17.9
417.31107	7.1
435.32687	6.0
453.33585	15.6
471.34656	14.5
473.32004	4.7
509.36356	4.0
527.37231	32.1
545.30377	6.9
545.38336	85.7
563.30658	5.4
563.38654	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67823	2.9
53.03953	7.6
55.01865	8.9
55.05263	2.9
55.05514	44.2
57.03437	12.7
57.07067	7.1
59.04980	4.5
59.74294	3.2
65.03938	5.9
67.05167	6.3
67.05508	100.0
68.27641	2.6
69.03423	3.9
69.07068	27.3
69.53157	4.0
69.79398	16.9
71.04993	9.6
71.08603	3.1
79.05497	62.8
81.03433	35.7
81.07061	99.0
83.04976	18.6
83.08617	27.8
85.02888	10.3
85.06525	6.5
91.05486	62.4
91.62144	2.7
93.07043	64.8
95.04937	19.9
95.08032	6.0
95.08606	81.1
97.06534	8.7
97.10166	15.8
98.21384	4.2
99.08121	5.3
104.93604	2.8
105.07030	49.3
107.04942	5.6
107.08593	45.3
108.08898	2.8
109.06542	7.7
109.10155	40.0
111.04419	5.8
111.08066	10.5
111.73560	2.7
113.09600	3.3
115.05481	3.1
117.07053	14.4
119.08583	46.4
121.06509	4.4
121.10143	33.7
123.08047	5.7
123.11703	17.1
125.09624	14.8
129.07030	15.0
131.08588	37.3
133.10130	37.3
135.08073	6.3
135.11717	18.2
135.26292	2.5
137.09605	5.7
137.13300	3.5
139.11223	3.0
141.07024	3.7
143.08562	12.8
145.10155	26.2
147.08080	4.8
147.11682	26.8
147.27348	2.7
149.09624	5.8
149.13275	18.9
151.11153	3.9
153.12692	5.9
155.08562	5.2
157.10147	19.7
159.11656	17.3
161.13269	10.6
163.11211	8.6
163.14865	4.8
165.12730	3.1
169.10149	5.8
171.11722	10.1
173.11708	4.1
173.13168	14.5
175.11243	7.9
175.14816	5.7
177.12662	5.7
179.14291	3.8
181.10202	3.0
181.12219	4.6
183.11638	4.6
185.13229	8.3
187.14839	5.1
189.11189	9.5
191.10652	4.3
193.12230	32.2
194.24213	3.5
197.13306	7.0
199.14926	6.2
201.16357	2.9
211.13229	44.9
211.14937	5.3
214.86055	3.1
227.12724	11.3
243.21078	3.8
255.95677	3.3
261.22116	15.4
267.16113	4.0
279.23184	5.9
283.15451	7.1
285.16913	18.1
285.22025	4.8
303.23230	10.7
317.24857	6.5
332.23566	2.9
335.25873	21.6
337.23550	3.0
359.25641	3.8
417.31531	3.4
435.32455	10.2
453.33820	14.1
471.34732	12.1
473.32626	3.5
487.34375	5.6
489.35995	3.4
527.37341	32.2
545.38336	78.8
563.39624	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2097
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
61.28799	0.4
70.71478	1.2
83.01100	0.6
91.05511	0.6
95.01091	1.4
107.04963	1.7
113.02129	1.2
119.04999	0.6
137.05920	1.4
147.04362	0.6
147.08273	0.5
161.05988	1.0
163.07599	1.7
167.03340	0.5
167.07062	0.6
185.04211	2.4
191.38876	0.5
197.40218	0.5
201.03741	0.8
202.06027	2.8
203.05283	12.1
203.07071	0.9
204.07637	3.8
226.97433	0.5
237.66542	0.5
244.81984	0.5
353.13608	2.1
383.14783	1.1
563.20996	100.0
564.21167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.07071	3.3
67.05499	2.0
69.07024	1.1
71.08633	1.2
71.53821	1.1
81.07049	2.2
83.08640	1.3
88.02225	1.1
92.37760	0.9
93.07019	1.8
95.08626	2.7
105.07027	1.1
107.08566	1.3
134.52890	0.9
148.75145	1.0
164.56418	1.0
234.25526	1.0
251.12560	5.3
272.67709	0.9
275.55347	0.9
278.64499	0.9
307.15155	4.2
313.27438	1.4
369.48935	1.1
563.39166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
53.23710	2.3
55.01865	11.4
55.05510	39.5
57.03444	13.6
57.07066	4.3
57.49144	2.6
65.03936	4.7
66.23024	2.2
67.05505	91.3
67.05866	4.6
69.03419	5.3
69.07066	28.2
69.37474	9.8
69.37903	13.2
70.18358	2.5
71.04987	5.9
79.05493	55.9
81.03413	30.0
81.07056	100.0
83.04990	16.8
83.08617	27.8
85.02914	7.3
85.06567	5.7
91.05481	51.2
93.07044	60.3
95.04967	17.1
95.08604	67.3
97.06519	10.9
97.10147	17.9
98.20762	4.3
105.01157	2.8
105.04486	3.7
105.07027	48.8
107.04982	7.4
107.08594	42.1
107.32478	2.6
109.06519	5.6
109.10159	38.8
111.04443	7.7
111.08067	8.9
115.05450	2.5
116.43398	2.4
117.07017	18.8
119.08573	37.5
121.06510	3.5
121.10140	27.5
123.08037	4.8
123.11732	17.9
125.09605	13.3
129.07037	15.3
130.07796	3.1
131.08560	34.7
133.06532	3.7
133.10126	32.5
135.08032	5.9
135.11676	21.5
139.11188	2.9
141.06973	3.3
142.07724	2.4
143.08566	9.3
145.10136	25.8
147.08026	3.7
147.11682	24.7
149.09576	9.1
149.13280	15.1
151.11159	4.2
153.12770	6.4
155.08551	5.0
157.10152	18.3
159.11723	13.8
161.13263	9.6
163.11169	9.5
167.08525	4.9
169.10149	5.8
171.11714	10.2
173.13263	16.7
175.11191	7.1
175.14838	3.9
177.12762	2.6
179.14256	2.9
181.10269	2.4
181.12238	6.3
183.11711	5.7
185.13284	9.3
187.14796	5.6
189.11249	8.6
193.12239	25.5
193.26820	2.6
195.11681	2.9
197.13283	5.4
199.14871	5.1
211.13263	36.5
211.15010	3.8
214.10420	2.7
227.12761	10.4
229.14244	3.4
261.22147	16.1
267.15869	7.0
277.21664	2.9
279.23129	3.5
283.15436	3.7
285.16928	17.5
285.22131	4.1
299.23856	4.1
301.25238	6.0
303.23221	7.7
317.24683	4.3
334.97565	2.3
335.25797	20.9
337.24081	2.7
341.24564	2.9
344.81354	2.7
351.25601	3.4
381.27838	3.3
417.31378	4.4
435.32413	10.5
453.33353	12.0
471.34686	10.4
489.35855	3.1
509.36469	4.0
527.37360	37.3
545.38428	70.8
563.39972	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	563.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26727	1.7
83.01094	0.5
91.05460	0.5
95.01100	1.2
95.04951	0.4
98.97598	2.9
105.06973	0.5
107.04948	1.2
107.08596	0.5
110.76308	0.4
110.97559	1.4
113.02150	1.2
118.45999	0.5
119.04967	0.8
121.05618	0.4
121.06458	0.5
128.98615	0.7
130.03975	0.4
137.05989	1.1
143.84831	0.4
147.04422	0.5
149.22342	0.5
161.06036	0.9
162.26347	0.4
163.07567	1.7
170.99649	1.0
185.04201	2.4
188.74207	0.5
189.00763	0.7
201.03700	1.0
202.06021	1.9
203.05272	7.1
204.07610	5.2
205.08441	0.6
213.27531	0.4
231.01799	0.8
249.02849	2.3
291.03870	4.1
353.13623	3.2
367.12476	0.5
371.11865	0.5
383.14752	1.1
393.39172	0.4
401.15939	0.5
503.18024	1.2
563.20996	100.0
563.33337	4.5
564.21320	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01865	8.0
55.05515	44.6
57.03432	11.6
57.07073	6.4
65.03926	9.5
67.05167	4.8
67.05509	89.1
69.03436	4.2
69.07069	33.1
70.96603	7.2
70.96925	3.7
71.04985	8.6
72.08144	6.6
79.05495	67.2
81.03426	35.9
81.07063	75.9
83.04954	11.2
83.08628	25.9
85.02911	7.7
91.04951	5.9
91.05484	75.0
93.07047	57.5
95.04987	25.5
95.08611	46.5
97.06512	15.6
97.10168	23.9
99.08092	4.9
103.05486	3.9
105.07033	62.4
107.04970	12.0
107.08617	43.5
109.06483	5.6
109.10162	33.0
111.04439	3.2
111.08095	12.4
115.05441	7.4
117.07027	28.3
119.08588	59.9
121.06503	3.5
121.10149	29.5
123.11667	4.4
125.09602	15.7
128.06252	4.1
129.07007	24.5
131.08583	53.4
133.10156	32.0
135.08084	8.8
135.11682	22.0
136.38522	4.3
137.09558	6.0
141.06987	5.9
142.07758	7.1
143.08601	25.0
145.10143	30.0
147.08038	4.9
147.11682	32.9
149.09584	9.2
149.13329	6.0
153.07100	3.5
155.08530	14.6
157.10118	30.4
159.11688	23.7
161.13240	22.1
163.11151	6.5
169.10153	15.3
171.10458	3.6
171.11667	22.3
172.65393	3.6
173.09648	4.2
173.11839	6.5
173.13283	15.4
175.11180	12.5
175.14787	9.0
181.10173	6.1
183.11691	11.9
185.13286	14.7
187.14859	8.6
189.11267	8.4
193.12253	33.8
195.11688	7.9
197.13219	5.9
199.14789	9.9
209.13226	5.6
211.13246	32.5
211.14986	5.3
213.16417	7.1
221.13310	4.6
227.12785	9.7
229.14288	5.2
231.16875	3.2
231.21021	5.0
241.19511	19.6
259.20569	34.4
259.95660	3.4
267.15875	9.8
275.20193	6.0
277.21683	4.9
285.17010	21.1
287.23840	4.4
297.22006	8.7
299.23691	6.1
315.23123	16.6
333.24258	14.5
423.32309	5.1
433.30856	12.1
451.32062	16.5
469.33026	15.1
487.33865	5.3
504.55722	3.1
507.34772	4.5
525.36047	26.2
529.18494	3.1
543.36804	100.0
559.14270	3.4
561.29596	3.8
561.38416	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55035	3.0
53.03940	8.6
53.41959	3.0
55.01865	11.0
55.05511	41.7
57.03432	13.9
57.07057	4.8
61.98203	3.1
65.03927	3.4
67.05502	94.3
69.03426	4.7
69.07067	25.0
71.04980	11.6
71.08627	4.4
71.61954	3.2
71.62394	4.3
79.05489	72.4
81.03417	42.4
81.07058	75.3
83.04971	16.4
83.08611	29.9
85.02891	11.4
85.06545	8.5
88.53616	3.2
91.05476	76.5
93.07050	61.8
95.04957	23.6
95.08597	43.5
97.02883	4.9
97.06520	11.4
97.10150	19.0
99.08082	6.4
103.29379	3.7
105.07028	68.7
107.04961	5.9
107.08597	44.1
109.06522	11.3
109.10148	32.9
111.08086	9.9
115.05453	5.2
116.06223	3.5
117.07010	31.5
119.08568	57.1
121.06528	3.7
121.10127	27.1
123.08038	4.5
123.11670	8.0
125.09605	10.1
128.06245	4.6
129.07013	24.9
131.08577	46.2
133.06470	3.2
133.10110	38.0
135.08057	6.0
135.11703	15.9
137.09602	4.7
141.06993	10.4
142.07759	6.0
143.08554	26.5
145.10104	37.4
147.08040	5.3
147.11674	42.5
149.09619	6.3
149.13220	6.4
149.83063	3.6
155.08575	15.5
156.09335	4.0
157.10117	30.7
159.08083	3.1
159.11720	20.6
161.13237	17.9
163.11179	6.9
167.08588	5.9
169.10109	15.3
171.11690	24.5
173.13251	18.2
175.11194	6.7
175.14806	5.8
181.10043	5.2
181.12166	3.5
183.11711	9.4
184.30862	3.0
184.78151	3.1
185.13211	14.9
187.14757	4.9
189.11212	6.9
189.12840	4.6
192.09331	3.5
193.10449	4.6
193.12256	23.5
195.11818	6.7
195.13771	3.2
196.92552	3.5
197.13278	10.1
199.14822	9.4
201.12773	3.8
203.14320	3.3
209.13278	4.6
209.29227	3.6
211.13239	28.5
211.14929	4.1
213.16479	5.3
223.14792	7.6
227.12747	9.2
229.14375	7.9
234.39610	4.0
241.19508	13.4
259.20566	32.2
267.13278	3.6
267.15958	11.5
272.58499	3.4
275.20050	5.6
277.21542	6.6
283.20560	4.0
285.16879	18.1
291.80518	3.5
297.22110	10.2
299.23718	9.2
315.23166	10.9
317.24588	4.7
333.24307	16.3
353.24731	4.5
415.29340	4.3
433.31104	14.0
451.32132	16.2
469.33246	11.0
487.34473	5.1
507.34628	5.2
515.37476	5.8
517.35199	4.2
525.35712	27.4
543.36768	100.0
561.38245	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01872	9.9
55.05515	52.5
57.03430	9.2
65.03934	3.4
67.05167	4.9
67.05509	74.7
69.03426	2.6
69.07065	22.6
69.51242	18.4
71.05000	3.9
79.05495	51.3
81.03433	14.6
81.06580	3.2
81.07063	64.9
83.01364	2.6
83.04983	16.8
83.08614	28.5
85.02905	3.2
85.06546	3.5
91.05480	44.9
91.92653	2.6
93.07050	54.4
95.04977	12.2
95.08606	49.8
97.06533	6.9
97.10174	30.1
105.07035	40.1
107.04955	5.6
107.08597	39.6
109.06545	5.8
109.10172	25.0
111.04470	8.2
111.08091	7.7
117.07034	24.8
119.08590	34.0
121.06490	4.7
121.10136	23.0
123.08064	6.8
123.11713	8.1
125.06066	2.9
125.09634	18.7
128.06262	3.6
129.07027	11.3
131.08574	28.7
133.10135	24.7
135.08072	7.1
135.11702	21.4
137.09590	4.5
141.07011	2.9
143.08597	11.5
145.10133	31.7
147.08031	6.0
147.11716	15.6
149.09566	5.7
149.13281	6.4
151.11253	2.8
151.17627	2.7
151.18860	2.4
153.09036	3.4
153.12756	6.2
155.08562	6.6
157.10146	11.5
159.11702	17.6
161.09622	3.0
161.13307	10.3
163.11206	15.9
163.14835	3.3
169.10135	5.1
171.10307	3.7
171.11705	10.0
173.09634	5.8
173.11964	3.4
173.13219	15.7
175.14871	6.2
181.10057	3.1
181.12248	10.2
183.11649	6.1
185.13263	7.6
187.14848	5.5
189.11182	17.2
191.10670	6.6
193.12312	5.7
193.57169	2.5
197.13333	7.5
199.14828	5.7
201.16364	3.0
207.11678	3.6
209.11768	6.3
211.13306	4.7
227.12791	45.2
243.21107	3.1
245.13966	4.2
259.20578	5.4
261.22089	12.0
265.19519	4.2
267.16037	2.9
273.22086	4.1
283.15442	15.0
299.23724	16.2
301.21597	4.2
317.24725	10.5
333.24188	4.6
335.25830	9.2
404.15305	2.7
405.31744	3.3
433.31073	9.8
451.32062	17.8
469.33170	14.8
487.34091	10.1
515.37518	6.0
525.35931	20.9
535.57654	2.8
543.36853	100.0
561.38043	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01870	7.0
55.05509	36.7
57.03426	13.1
57.07057	6.3
60.67695	4.5
65.03928	5.6
66.57713	3.4
67.05165	7.2
67.05505	80.7
69.03429	5.9
69.07065	22.0
71.04981	13.7
71.61921	5.2
79.05490	72.3
81.03432	26.7
81.07058	78.5
83.04961	12.7
83.08618	22.0
85.02891	6.6
91.05476	61.8
91.98026	4.9
93.07040	61.6
93.15636	4.1
95.04954	18.2
95.08602	53.1
97.06517	6.7
97.10143	13.8
105.07038	49.8
107.04962	5.6
107.08576	34.5
109.06512	9.0
109.10180	24.3
111.08099	6.7
117.07024	28.5
119.08576	47.5
121.06520	4.5
121.10131	26.8
123.08031	6.8
123.11687	6.6
125.09614	19.8
129.06995	17.2
131.08580	40.1
133.10098	29.3
135.08070	7.5
135.11719	9.8
141.07010	7.4
143.08527	20.6
145.10104	36.3
147.11682	30.3
149.09648	6.6
149.13338	6.0
155.08543	14.8
157.10181	22.5
159.07974	6.8
159.11694	23.9
161.13226	9.0
163.11159	8.8
165.12729	4.4
167.08636	4.2
169.10143	9.9
171.11665	14.2
173.13228	12.6
175.14752	6.8
181.10135	9.1
183.11684	11.2
185.13260	17.4
187.14803	6.4
189.11220	10.4
193.09857	5.3
193.12236	7.6
195.11745	8.4
197.13300	10.0
199.14781	5.9
209.13208	5.3
211.13214	12.0
227.12811	6.9
241.19389	6.0
257.19116	5.7
259.20523	7.4
267.16028	5.1
277.21692	5.7
285.16791	5.4
285.22189	4.6
287.23685	5.0
297.13080	5.3
299.23633	11.9
309.21957	5.4
333.24231	6.6
415.30008	6.1
433.30908	14.2
451.31964	18.9
469.33417	20.2
487.33902	8.0
504.85834	4.5
525.35669	33.3
543.36853	100.0
561.38599	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01871	9.6
55.05253	3.9
55.05513	56.1
57.03432	10.8
57.07071	6.0
63.49605	2.2
65.03933	6.1
66.92008	2.4
67.05509	99.2
69.03432	7.9
69.07070	22.6
69.67019	5.8
69.67413	13.0
71.04989	10.0
79.05048	4.6
79.05496	67.3
81.03422	13.5
81.07062	97.4
83.01381	2.4
83.04994	20.7
83.08629	25.5
85.02912	7.4
85.06548	6.7
91.05486	49.0
93.07054	77.5
95.04957	12.3
95.08612	55.4
97.06530	8.8
97.10175	32.4
97.10772	4.2
98.21488	2.8
99.08075	5.0
105.07038	55.2
107.04949	7.7
107.08601	50.9
109.06515	4.8
109.10162	36.6
111.04445	10.3
111.08076	8.6
112.95745	2.2
115.05447	4.2
117.07023	26.5
119.08591	41.9
121.06528	3.8
121.10147	32.5
123.08068	8.0
123.11691	9.8
125.09647	30.2
128.06332	3.3
129.06992	15.3
130.07779	4.4
131.08585	37.4
133.06490	3.9
133.10138	32.9
135.08073	4.6
135.11702	28.7
137.09636	3.8
137.13185	3.0
139.11166	3.4
141.06975	4.4
143.08554	13.3
145.06497	4.9
145.10126	34.9
147.08070	4.2
147.11717	21.1
149.09618	7.6
149.13307	9.3
151.11182	2.8
153.09125	2.5
153.12752	7.7
155.08568	6.7
157.10112	12.4
159.11734	27.4
161.09656	3.8
161.13277	11.0
163.11159	19.1
163.14810	4.0
165.12807	3.3
165.80814	2.5
167.38383	2.2
169.10182	8.2
171.10333	3.7
171.11710	10.3
173.09703	5.6
173.11923	3.2
173.13275	11.7
174.58577	2.4
175.11143	3.3
175.14835	6.5
181.10156	6.0
181.12234	8.9
183.11736	9.0
183.87048	2.9
185.09764	4.5
185.13284	8.5
187.14833	7.2
189.11272	13.5
191.10675	10.3
193.12279	6.4
195.11600	4.8
197.13268	6.7
199.14786	5.5
201.16522	4.4
209.09795	3.2
209.11705	8.0
209.13474	3.7
211.13184	3.7
221.13306	2.9
221.77303	2.5
225.16386	2.7
227.12798	41.3
229.14288	2.7
241.19594	4.3
245.13933	3.0
259.20596	7.4
260.87320	2.2
261.22012	12.4
267.16013	3.8
273.22119	4.1
277.21725	7.5
283.15411	17.8
283.20612	3.4
287.19977	3.9
297.22009	4.7
299.23721	21.9
301.21628	7.3
315.23178	6.4
317.24673	14.9
333.24368	4.5
335.25839	16.0
357.24091	3.2
363.97556	2.4
411.04138	2.8
423.32672	4.3
424.49820	2.4
433.30908	7.8
451.32376	14.6
469.33411	13.6
487.34012	11.6
515.37097	3.7
517.35608	3.1
525.35858	20.0
543.36804	100.0
561.38037	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01866	15.4
55.05514	53.3
57.03434	11.0
65.03939	5.2
67.05158	6.4
67.05505	79.8
69.03432	4.1
69.07076	19.4
71.04998	4.9
71.11556	8.3
77.51694	3.4
79.05494	62.5
81.03409	14.1
81.07064	77.1
83.04989	19.2
83.08629	36.4
85.06515	4.2
91.05490	52.5
93.07043	58.7
95.04957	16.2
95.08605	51.9
97.06528	10.4
97.10173	34.6
105.07042	43.9
107.04939	4.3
107.08599	40.5
109.06518	7.3
109.10149	27.8
111.04436	13.4
111.08082	7.5
117.07008	27.3
119.08578	39.3
121.06501	3.2
121.10149	30.5
123.08012	7.1
123.11685	10.6
125.09619	26.3
129.06972	15.5
131.08562	32.8
133.06393	5.3
133.10127	31.2
135.08044	7.5
135.11674	22.9
141.07057	3.6
143.08563	11.8
145.10114	29.5
147.08098	5.7
147.11691	23.3
149.09657	5.9
149.13269	9.2
153.12761	8.4
155.08533	5.9
157.10114	11.7
159.11699	24.2
161.09639	4.2
161.13300	9.6
163.11195	19.5
167.08656	3.1
169.10089	6.7
171.11716	13.8
173.09671	4.9
173.13257	13.7
175.14821	4.4
181.10092	5.3
181.12238	4.3
183.11679	7.2
185.13264	8.1
185.59398	3.4
187.14828	6.3
189.11255	19.2
191.10725	6.8
193.12300	4.0
195.11511	5.0
199.14867	5.9
209.11603	4.5
211.13156	4.3
213.16527	4.1
215.17891	3.2
227.12819	41.4
232.32996	3.3
259.20538	7.0
261.22232	16.2
267.15942	5.4
277.21808	4.4
283.15363	15.7
289.50751	3.5
293.21207	4.3
299.23651	20.0
301.21716	6.0
317.24567	9.4
318.61255	3.6
333.24323	5.7
335.25806	6.5
433.30847	12.7
451.31964	14.3
469.32928	13.5
487.34128	11.6
499.33093	4.0
525.35663	24.5
543.36798	100.0
561.38043	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37928	0.6
55.05507	0.9
57.03426	1.4
57.07077	4.2
67.05496	2.2
69.07060	2.0
69.37786	5.3
71.08616	2.1
79.05489	0.9
81.07069	3.6
85.10176	1.4
91.05492	1.0
93.07037	1.9
95.08611	3.3
97.10196	0.9
105.07037	1.2
107.08601	1.1
109.10184	2.1
116.91577	0.7
119.08516	0.7
121.10117	0.9
121.82372	0.8
135.11707	1.1
146.34061	0.6
163.11174	1.2
173.13234	0.7
196.04370	0.7
199.90736	0.6
241.06400	0.7
249.10974	19.1
258.02725	0.7
295.88501	0.6
305.13644	7.0
313.27386	1.0
336.85461	0.8
407.28909	0.9
561.37628	100.0
562.38306	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01876	10.2
55.05252	3.2
55.05513	59.6
57.03440	9.5
57.07066	6.0
58.69441	1.5
58.71174	1.5
59.05002	3.8
61.47449	1.5
65.03947	5.7
66.21033	1.4
67.05508	82.3
68.05865	1.7
69.03440	4.9
69.07071	24.5
69.90016	8.6
71.01375	1.6
71.04992	6.7
71.08645	3.8
79.05492	68.1
80.05838	2.0
81.03426	11.9
81.07059	85.7
82.07418	1.8
83.01343	1.9
83.04980	17.1
83.08629	30.6
85.02914	2.6
85.06549	3.2
91.05486	54.8
91.06059	3.3
93.06457	3.9
93.07047	71.8
94.07394	2.1
95.04970	15.5
95.08610	55.2
97.02874	1.8
97.06525	8.3
97.10170	35.3
98.21459	3.0
99.04465	2.9
99.08096	3.7
105.07034	49.7
107.04974	6.0
107.07857	2.9
107.08596	52.9
109.06540	7.4
109.10155	28.9
111.04445	12.8
111.08054	8.2
115.05477	2.4
117.07022	23.6
118.07333	1.7
119.08586	41.3
119.09446	2.6
120.08881	2.1
121.06521	5.5
121.10152	27.9
123.08089	7.8
123.11726	13.4
125.09640	26.6
128.06241	2.3
129.07019	15.5
131.08580	33.9
133.06503	2.4
133.10124	29.0
135.08057	5.8
135.11700	24.8
137.09605	3.2
141.06992	4.3
142.07823	2.8
143.08554	14.8
145.06531	2.8
145.10126	34.3
145.11253	2.2
147.08014	2.1
147.11700	21.5
149.09659	5.4
149.13245	11.5
151.11145	2.0
153.09151	3.7
153.12721	9.3
155.08580	8.1
157.10147	16.9
159.08067	2.3
159.11691	24.4
161.09616	2.8
161.13260	11.7
163.11211	16.1
163.14861	4.7
164.93854	1.5
165.12708	3.5
169.10153	6.3
171.11685	13.6
173.09717	5.3
173.11856	2.9
173.13254	18.5
175.11272	2.6
175.14844	5.1
177.12793	3.2
179.14359	3.6
181.10255	2.6
181.12267	8.5
183.11734	6.4
185.13309	8.7
187.14767	8.0
189.11203	17.1
189.12659	2.4
189.16357	3.5
191.10724	7.5
193.12317	4.3
195.11760	5.6
197.13322	4.8
199.14853	6.7
201.16428	4.0
203.14435	2.0
207.11778	1.8
209.11684	3.7
209.13431	2.3
211.13281	2.6
213.16415	2.6
219.17448	2.0
221.13367	2.3
223.14900	2.3
225.16443	2.2
227.12766	35.4
227.14839	2.3
227.17946	1.7
241.19608	2.0
243.21191	3.8
245.13884	4.9
259.20670	5.9
261.22183	18.3
267.16006	5.5
271.20792	2.4
273.22223	4.4
277.21664	4.3
279.23315	2.3
281.22787	3.0
283.15405	15.4
283.20578	3.3
289.21429	2.0
291.23569	2.0
293.21423	1.8
297.22205	2.6
299.23730	22.8
301.21576	4.2
315.23349	3.5
317.24753	16.5
327.23492	1.9
333.24338	4.4
335.25943	13.4
339.23541	2.0
357.24255	2.2
369.27960	1.8
421.18515	1.8
423.32837	2.2
433.31018	9.8
451.32120	18.1
463.30829	2.2
469.33163	15.4
487.34125	11.4
507.34970	1.9
515.37592	3.4
517.35980	1.8
525.35718	18.6
543.36786	100.0
544.36975	3.9
561.38580	88.5
562.38684	3.6
570.88428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2515
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
53.76030	0.3
62.56952	0.5
63.45476	0.4
67.05496	0.6
69.03402	0.4
79.05511	0.4
81.07059	0.6
93.07061	0.8
95.08622	0.8
105.07034	0.5
107.08603	1.4
119.08609	0.4
121.10130	0.7
123.08080	0.4
132.95853	1.4
174.97063	0.5
182.04987	0.9
198.96899	3.0
204.98065	0.6
216.97934	0.5
234.99060	0.7
246.98990	2.2
265.00067	0.7
267.15845	1.2
307.01236	1.7
333.08026	0.5
335.09473	1.1
355.08145	0.6
355.17358	1.5
381.25568	0.6
411.19937	1.2
419.15384	0.9
429.20996	6.5
429.26315	0.6
441.15765	0.8
487.21536	9.0
487.27850	0.7
543.23999	4.6
561.25195	100.0
561.32410	7.1
562.25305	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	561.2519
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
54.64312	0.5
58.68502	0.4
62.55661	0.5
62.56021	0.5
68.18305	0.5
69.03413	0.9
69.36447	4.9
73.02889	0.5
76.34154	0.5
79.05464	0.8
80.57928	0.5
81.07052	1.4
81.66797	0.6
83.04974	0.7
85.02911	1.4
91.05502	0.6
93.07036	0.7
97.02877	1.0
98.21433	1.1
98.97585	0.8
99.04441	0.8
105.07038	1.0
107.04939	0.6
107.08572	0.9
112.99171	0.6
116.98643	0.5
119.08543	0.6
131.08542	0.5
145.10133	0.7
147.04460	0.7
163.03937	0.7
170.99707	0.6
173.13310	0.9
177.05469	0.6
189.05525	0.9
191.14333	2.1
203.07527	1.3
212.08012	0.8
217.19456	0.5
220.73087	0.5
257.04587	0.6
273.04099	0.7
275.07480	1.2
294.04245	0.6
299.23087	0.6
333.08044	0.9
335.09488	16.6
367.73511	0.5
371.16696	0.7
386.16977	1.9
386.67157	1.1
405.08701	0.5
405.14172	0.9
429.20999	1.5
503.21277	4.4
561.25250	100.0
562.25525	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	561.2519
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
56.96568	0.7
57.03424	0.5
67.05518	0.5
69.03431	1.1
71.05003	0.6
71.13807	0.5
79.05506	0.8
81.07049	1.1
85.02912	0.9
85.06542	0.4
91.95446	0.4
93.07048	0.8
95.08609	0.8
97.02897	0.5
98.97570	0.9
105.07018	0.6
107.04951	0.9
107.08584	0.5
108.54335	0.4
109.10127	0.6
117.05480	0.4
121.10092	0.4
137.05971	0.5
145.10098	0.5
147.04393	0.5
159.11751	0.4
167.07069	1.0
176.41470	0.4
249.14694	0.8
267.15720	1.2
275.07416	0.6
304.38629	0.4
309.16541	0.4
335.09467	3.2
381.26068	0.4
411.19760	2.3
429.21011	6.4
528.20313	0.4
529.98016	0.4
543.24249	6.4
561.25165	100.0
561.32678	11.7
562.25671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.0
55.05494	24.0
67.05499	82.1
69.07063	20.8
69.84025	63.9
77.72886	11.7
79.05481	42.3
80.50161	11.1
81.03413	23.7
81.07060	100.0
83.04971	19.1
90.44137	13.5
91.05477	51.2
93.07050	68.1
93.07536	12.5
95.04967	22.4
95.08596	24.1
98.20731	21.7
105.07019	48.2
107.08576	27.4
109.10145	16.1
119.08571	40.1
121.10130	33.9
123.11680	23.5
131.08554	26.5
135.11725	21.6
147.11707	30.6
171.11670	14.8
183.11769	13.3
194.26331	13.3
277.21692	47.5
305.51471	12.3
381.40585	11.6
499.04599	11.6
560.36255	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	561.047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99140	0.6
63.00293	0.5
67.38432	0.6
69.58418	3.6
84.76227	0.7
85.02895	1.0
97.02892	0.6
101.00860	0.7
105.72049	0.6
119.01920	0.7
120.95417	0.7
138.96405	1.3
143.01884	1.3
145.03452	0.9
155.01949	0.7
156.97475	6.0
161.02986	1.3
167.01938	0.7
173.02977	1.4
174.98541	3.5
180.97466	16.9
182.99164	0.7
185.02983	1.7
194.99049	0.8
197.03072	1.2
198.98541	100.0
199.98674	1.2
203.03993	1.1
210.98570	3.6
213.00101	1.9
216.99603	17.4
221.05132	0.7
222.00124	1.5
222.98541	1.3
225.00114	1.1
227.03896	0.6
228.99594	9.4
234.98505	3.4
240.99580	16.4
243.01195	1.0
245.05122	5.0
247.00766	1.1
252.99574	2.4
259.00687	6.2
265.00156	0.7
271.00604	0.7
275.06192	0.7
283.00638	9.0
301.01703	29.4
319.02832	5.4
343.02783	1.2
351.11450	0.7
435.53046	0.5
463.07007	38.1
464.07019	0.7
481.08112	1.0
520.04620	0.6
561.14679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98091	0.6
65.72201	0.7
69.03414	1.1
70.89397	1.2
73.02868	2.1
73.55968	0.6
79.50259	0.7
83.50508	0.8
85.02863	1.9
91.05476	1.3
97.06467	1.2
105.06984	0.8
107.08543	0.8
107.91436	0.7
109.02827	0.8
145.09013	0.9
157.99773	0.8
159.00542	7.3
172.38361	0.8
185.04182	1.8
186.36673	0.8
229.06749	3.0
237.39906	0.8
256.44443	1.0
301.03467	1.3
313.03284	2.8
317.08444	43.9
321.05783	8.7
355.08109	2.6
399.10739	13.3
453.10059	100.0
454.10468	1.3
561.15814	83.9
561.32733	6.4
562.16028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.4
55.05294	3.3
55.05510	35.6
55.37931	3.1
57.03437	15.2
57.07059	6.2
62.91300	3.2
65.03921	4.0
67.05502	100.0
68.46564	3.0
69.07069	25.0
69.51401	25.5
71.04989	6.1
73.06565	3.5
73.25082	3.4
79.05492	98.0
81.03426	6.0
81.07061	86.4
83.04967	16.1
83.08603	12.5
83.12717	2.9
85.06525	5.1
89.61086	3.1
91.05482	74.6
93.07044	95.7
95.04981	20.9
95.08604	56.2
97.06516	8.7
97.10146	5.4
99.08099	5.6
99.85987	3.5
105.07035	53.3
107.04945	14.6
107.08585	38.9
109.06484	10.0
109.10140	19.8
111.08073	3.6
117.06999	13.2
119.08562	33.2
121.06508	6.3
121.10119	20.1
123.08037	9.0
123.11712	5.7
129.06998	19.1
131.08560	11.0
133.10152	21.1
134.07437	3.0
135.11665	11.6
143.08606	14.9
145.10114	17.6
147.08018	4.1
147.11694	45.9
149.13252	7.5
152.86552	3.3
157.10036	3.8
159.11671	8.3
161.09549	4.2
161.13219	19.5
169.10184	4.4
171.11682	33.3
173.13229	4.8
183.11626	3.6
185.13246	5.2
189.12741	11.8
207.13788	28.5
225.14775	3.6
243.21371	4.6
261.22061	8.9
279.16003	7.6
281.17484	58.4
300.84943	3.1
317.24756	4.6
335.25784	64.8
449.33966	6.5
467.35556	4.9
541.38971	81.0
542.37909	3.1
559.39966	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	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03942	7.2
55.01872	8.6
55.05257	2.8
55.05514	43.1
57.03431	5.1
57.07078	5.0
59.04997	4.5
60.79754	2.2
64.35542	2.1
65.03954	3.9
67.05505	72.3
69.03439	3.6
69.07076	22.8
70.55089	2.5
70.79439	3.3
70.79804	6.5
71.04987	3.6
71.08614	2.7
78.45853	2.3
79.05489	56.7
81.03429	5.6
81.07059	64.6
83.04977	10.6
83.08623	25.0
85.06522	3.8
91.05479	45.0
93.07050	59.0
95.04963	8.7
95.08608	42.7
97.06535	11.1
97.10180	25.2
98.97598	2.9
99.00785	4.6
99.04363	2.3
99.08047	3.0
105.07040	51.9
107.04961	8.9
107.08585	43.9
109.02893	11.8
109.06505	4.0
109.10156	22.2
111.04447	5.2
111.08087	4.6
115.05427	5.5
117.07008	16.8
119.08591	32.3
121.06516	9.5
121.10151	21.4
123.08072	5.4
123.11692	4.8
125.09652	16.2
128.06158	4.0
129.07011	10.6
131.08565	27.9
133.06401	3.5
133.10136	38.3
135.08072	5.3
135.11697	19.4
137.09624	2.9
141.07004	4.2
143.08566	16.4
145.06451	3.0
145.10129	25.9
147.08139	3.2
147.11679	14.7
149.13269	7.8
151.07610	2.5
151.11247	9.3
153.09137	3.3
155.03340	2.4
155.08548	5.3
157.10190	9.6
159.08043	4.0
159.11716	13.1
161.09639	15.2
161.13271	12.4
163.11200	4.9
167.08595	3.1
169.10121	9.6
171.08018	5.5
171.11719	9.6
173.09668	3.0
173.13275	9.6
175.14835	5.7
177.12660	2.7
179.10693	8.1
181.10121	4.9
183.11714	10.8
185.09622	2.2
185.13269	9.4
187.14894	5.2
189.09116	8.1
189.11275	8.0
191.17818	2.5
193.10233	3.0
195.11688	4.8
197.13319	4.0
199.14844	5.9
201.16357	2.4
211.14828	3.9
213.12883	2.8
215.14278	3.6
215.48146	2.5
218.43321	2.7
221.13376	2.7
223.14780	2.7
225.11127	11.6
227.12822	9.6
241.19551	5.2
243.21217	4.6
259.20596	9.4
261.22180	14.1
277.21680	4.7
281.01187	2.4
281.13904	6.1
287.23752	5.5
299.14780	3.9
299.20071	3.2
313.21790	3.8
315.23331	16.6
323.20532	2.8
333.24298	6.4
403.29788	3.4
411.39111	2.4
421.31097	5.7
431.29282	4.1
439.32199	6.1
449.30502	16.4
457.32959	5.2
467.31580	22.7
485.32471	16.4
495.34753	3.0
513.35706	23.2
515.37500	3.0
523.34192	7.8
527.37268	3.2
531.36768	16.0
541.35162	64.2
559.36279	100.0
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
53.03934	7.4
55.01867	9.3
55.05258	3.5
55.05509	48.3
55.94437	1.9
57.03429	8.2
57.07063	6.0
58.01344	1.8
59.05000	2.0
67.05164	3.4
67.05501	50.4
69.03414	3.8
69.07069	21.7
69.59964	9.1
71.04980	5.2
77.03942	2.8
78.96314	1.7
79.05058	2.6
79.05495	46.7
81.03429	14.4
81.07053	48.1
82.71171	1.8
83.04999	11.6
83.08619	22.7
85.02884	3.3
85.06537	5.0
87.27869	1.9
91.05482	51.0
93.07047	45.0
95.04973	9.6
95.08613	27.2
97.06506	8.2
97.09605	2.7
97.10177	33.8
98.20786	2.1
98.97521	2.3
99.08108	1.9
105.07030	47.2
107.04935	8.2
107.08598	27.3
109.06509	6.5
109.10141	18.1
111.04437	5.7
111.08058	4.1
113.05982	1.7
115.05440	3.0
117.07010	23.9
119.08585	37.2
119.86475	1.9
121.06482	4.6
121.10135	16.3
123.08034	7.3
123.11683	3.8
125.09628	25.0
128.06224	6.1
129.07007	19.4
130.07721	2.5
130.98154	1.7
131.08557	37.2
133.06470	2.0
133.10139	25.2
135.07999	5.6
135.11684	11.5
136.04820	1.8
137.09595	3.3
141.07005	6.2
142.07732	5.3
143.08559	19.4
144.09338	2.7
145.10118	35.4
147.08035	2.0
147.11673	22.3
149.13231	2.5
151.11128	2.1
153.12723	4.6
155.08525	8.7
157.10127	23.3
159.08083	3.6
159.11700	23.3
161.09633	4.9
161.13252	10.9
163.11150	6.8
167.08545	4.3
169.10103	8.3
171.07945	2.5
171.11696	16.4
173.09622	5.4
173.13226	13.6
175.11159	3.7
175.14824	3.7
177.12680	3.0
179.14244	2.5
181.10097	6.7
181.12126	2.6
183.11702	9.1
185.09589	2.6
185.13261	13.4
187.11227	3.3
187.14809	4.6
189.11194	13.4
189.12628	2.5
189.16364	2.0
193.12213	5.1
195.11685	5.9
197.13220	8.1
199.14851	5.0
201.12698	3.6
201.16254	2.2
209.11565	2.8
209.13266	4.6
211.11261	2.2
211.13081	3.4
211.14917	3.2
213.16393	4.4
215.14297	2.5
218.28819	2.0
221.13249	2.1
223.14897	3.7
225.16261	2.5
227.12701	24.0
227.17786	2.0
229.19487	2.1
237.16293	3.1
241.19489	7.8
245.13751	4.4
251.18053	2.7
257.18958	6.4
259.20493	16.0
269.22638	3.3
275.20154	10.2
279.20926	2.9
283.15292	11.1
285.22208	3.8
297.22131	18.5
313.21573	4.4
315.23138	17.8
323.19684	2.2
333.24387	10.3
421.30771	5.6
431.29367	6.3
439.32040	3.8
449.30545	12.4
457.33374	2.3
467.31534	15.0
485.32819	15.8
513.35626	7.7
523.23169	2.1
523.34448	11.4
531.36603	3.3
541.35272	100.0
542.35419	2.6
559.36530	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01841	2.2
55.05515	16.8
57.03424	10.5
57.06827	2.5
57.07079	30.2
63.03361	2.6
67.05214	2.2
67.05508	24.9
69.03400	2.6
69.07074	13.8
69.40769	20.9
71.04998	3.8
71.08639	20.3
79.05501	13.8
81.02979	2.8
81.03422	50.6
81.06628	3.7
81.07059	31.3
83.04975	12.5
83.08615	24.3
85.02914	18.8
85.10188	16.1
89.06029	4.9
91.05486	17.1
93.07031	8.8
95.04982	15.8
95.08614	24.0
97.10143	8.4
104.54254	2.4
105.07040	13.6
107.04945	5.4
107.08588	8.6
109.06496	4.7
109.10145	9.5
111.08051	8.2
111.22239	2.2
119.08604	13.9
120.65195	2.5
121.10129	7.5
123.11653	5.1
129.06996	9.4
131.08553	8.9
133.06447	2.4
133.10115	8.6
135.11708	3.9
142.41765	2.2
147.11688	11.7
149.09639	5.2
157.10129	10.5
160.50830	2.1
175.11250	11.1
193.12251	37.0
197.86690	2.2
211.13326	64.0
267.16000	11.4
285.16965	36.7
313.27377	69.6
505.38696	7.1
523.39935	100.0
558.53406	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	559.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13408	0.4
53.76883	0.4
55.05503	2.4
69.03427	0.9
70.06581	0.6
71.04996	1.0
73.02927	0.9
73.53936	0.4
80.65744	0.4
81.07050	0.8
83.04988	4.6
85.02914	1.0
93.07053	0.7
97.02898	0.5
98.97577	1.1
99.04453	2.0
125.09686	0.6
137.05948	0.5
163.03877	0.5
177.05515	0.4
189.00706	0.5
203.05367	0.6
225.14915	0.8
237.03172	0.5
265.14120	1.0
271.05881	0.5
275.07486	1.5
333.07852	0.5
335.09512	9.7
370.64874	0.4
384.11130	0.4
397.09027	0.5
427.19543	6.2
559.23621	100.0
560.23926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36563	2.5
53.03931	13.0
55.01878	26.3
55.05508	57.8
57.03447	15.7
57.07066	5.1
59.04983	3.0
65.03928	5.1
65.83945	2.4
67.05501	93.0
69.00379	2.7
69.03427	6.9
69.07069	49.9
69.54773	8.0
69.55197	13.0
71.04999	8.4
77.39323	2.6
79.05492	72.0
81.03412	65.4
81.03889	2.8
81.07052	94.8
81.07506	5.7
81.13660	3.5
83.04976	21.6
83.08612	31.1
85.02897	13.5
91.05477	100.0
93.07046	66.4
93.07618	4.8
95.01344	9.0
95.04967	39.2
95.08610	52.0
97.02871	5.4
97.06541	38.8
97.10177	14.5
98.20766	5.2
99.08075	3.1
101.64184	2.7
103.05475	4.2
105.04547	3.2
105.07027	99.1
107.04956	31.0
107.08587	37.3
109.06541	9.0
109.10152	26.2
111.08091	8.3
115.05468	3.9
117.07027	37.8
119.08577	64.7
121.06525	10.3
121.10134	22.3
123.08086	7.5
123.11718	7.9
124.86732	2.5
125.09621	14.9
128.06247	9.2
129.07008	20.2
130.07797	2.7
131.04987	2.9
131.08566	45.1
133.06505	6.0
133.10144	48.0
135.08072	9.9
135.11700	13.6
137.09648	8.2
141.07024	8.9
142.07790	5.5
143.08531	20.4
145.06517	5.9
145.10110	43.5
147.02324	2.7
147.08066	9.2
147.11688	34.3
149.09634	19.5
149.13281	6.3
151.11174	5.6
155.08601	10.5
157.10114	23.3
159.11697	22.7
161.09615	4.3
161.13287	6.8
163.11205	10.6
167.08592	4.1
168.09482	3.0
169.10150	10.5
171.10416	3.3
171.11630	13.0
173.09700	4.8
173.13289	7.0
175.11145	13.1
175.14912	3.1
177.12781	5.7
179.14337	16.6
181.10164	7.6
183.11778	9.4
185.13283	7.6
187.11241	7.6
187.14925	4.5
189.11191	6.0
193.12234	24.7
195.11781	4.7
197.13214	6.7
199.14893	3.6
201.12759	5.0
211.13219	18.3
211.15012	2.8
216.08490	3.2
227.12807	11.4
229.14404	5.3
229.19525	6.4
247.16917	3.7
247.20714	5.2
257.19098	12.3
259.20752	4.2
267.15903	33.8
273.18692	2.8
275.20056	90.0
285.22076	3.2
293.21167	10.7
297.22217	5.8
313.21680	7.4
315.23358	5.8
325.21552	4.4
331.22876	3.9
349.23767	18.3
355.23102	3.5
367.97812	3.0
431.29337	3.4
449.30579	9.3
467.31894	11.7
485.32526	5.2
523.34509	5.3
541.35297	66.7
541.43134	6.0
559.36383	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14312	3.5
54.81312	3.0
60.75148	3.1
66.61250	3.3
68.88712	3.2
70.65645	7.7
70.66016	5.9
79.05486	3.5
85.02922	7.7
91.05466	19.2
95.04952	3.3
103.05468	16.9
105.07021	13.2
107.04955	26.8
109.06499	4.0
115.05462	3.9
117.06187	3.0
117.06987	3.8
119.04932	18.0
121.06497	5.9
122.03632	8.7
124.64086	3.7
129.07007	8.0
131.04918	23.2
133.06493	8.8
135.08058	7.5
137.05977	94.9
146.07384	4.1
147.04408	14.4
149.06036	7.5
151.07532	56.9
157.06476	8.0
161.05984	97.7
161.09589	25.3
162.06729	9.3
163.07536	60.8
165.09132	3.7
174.06845	4.2
175.07651	9.6
177.09166	5.3
179.07059	5.4
181.08617	13.7
189.09090	67.0
195.08049	9.0
207.08206	7.7
207.10158	100.0
207.12035	6.9
209.09642	4.5
219.10205	9.6
221.06038	4.7
223.07489	5.5
227.10669	11.9
243.31650	3.3
249.09116	3.9
253.08521	4.1
253.12308	5.4
255.10184	9.2
281.11600	8.3
285.11072	10.3
287.12741	50.9
297.11264	4.8
311.12723	22.2
313.14346	42.9
331.15363	68.1
343.15317	4.6
396.00302	3.7
398.75330	3.6
419.91833	3.8
539.72833	3.5
545.81805	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33760	4.4
55.05503	17.4
57.03432	19.8
57.07077	55.5
67.05502	40.2
69.07072	13.8
71.08632	31.7
79.05492	27.4
81.03419	59.0
81.07054	43.4
83.04977	8.2
83.08617	28.4
84.62016	4.1
85.02915	15.0
85.10187	16.6
87.04491	6.0
89.06017	12.9
91.05467	31.2
93.07046	20.1
95.04973	26.7
95.08618	38.3
97.10158	11.8
98.21576	9.4
105.07030	28.9
107.04941	6.0
107.08586	7.2
109.06517	5.9
109.10164	14.3
111.08051	5.9
119.08589	18.0
121.10078	7.2
123.11749	6.6
125.44184	4.7
129.06993	10.8
129.54967	5.8
131.08553	10.2
133.10124	11.5
147.11743	14.4
149.09641	6.4
157.10110	12.8
175.11223	14.9
193.12241	48.7
211.13280	64.8
239.23711	5.4
267.15930	16.6
284.26715	6.5
285.16943	57.2
285.27094	5.6
313.27335	100.0
377.29944	4.6
392.16635	4.6
505.38635	15.3
523.39972	74.5
557.53400	5.1
558.45508	8.9
558.53699	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	CHEBI:69627
Peak:m/z	Relative Intensity
50.29475	1.6
52.25266	1.7
53.03935	5.9
55.01855	5.2
55.05508	25.8
57.03423	7.5
57.07061	3.7
65.03938	2.7
67.05164	3.2
67.05505	47.5
68.64863	1.7
69.03442	2.1
69.07064	20.4
71.05003	3.1
71.08602	1.6
71.61564	2.7
79.05489	47.7
81.03407	5.0
81.07052	51.7
83.04974	5.9
83.08631	13.4
85.06540	3.7
88.74335	1.7
91.05475	48.1
92.01852	1.6
93.07040	48.4
95.01325	2.3
95.04985	8.7
95.08602	38.7
95.16852	1.8
97.06517	9.6
97.10150	4.2
99.08073	1.8
103.05554	2.6
105.04508	2.0
105.07027	45.1
107.04912	6.2
107.08585	30.6
109.06520	6.6
109.10147	14.0
111.04422	2.0
111.08081	3.4
115.05453	3.5
117.06997	25.7
119.08564	31.3
121.06494	4.5
121.10135	16.5
123.08066	5.7
123.11729	4.1
125.09642	2.9
126.23342	1.7
128.06189	3.5
129.06995	19.3
130.07761	2.5
131.08577	36.7
133.06416	2.1
133.10124	23.4
135.08054	2.0
135.11684	14.5
137.09592	4.2
139.11240	1.8
141.07005	7.4
142.07765	3.4
143.08560	27.4
145.06439	3.2
145.10114	40.5
147.08031	2.6
147.11691	18.6
149.09607	4.2
149.13283	3.1
151.11140	2.7
153.07039	3.0
154.07767	3.7
155.08554	21.0
156.09402	3.2
157.10123	24.5
159.08058	3.7
159.11696	20.2
161.09668	2.4
161.13220	10.8
163.11217	7.6
165.06998	2.7
167.08556	9.9
168.09296	3.2
169.10114	25.0
171.11699	24.4
173.09566	2.0
173.13260	12.5
175.11136	2.3
175.14877	5.8
177.12741	2.4
179.08604	3.9
179.14281	2.2
181.10126	12.9
182.10896	2.6
183.11667	23.3
185.09610	3.6
185.13275	16.3
187.11214	2.9
187.14795	8.2
187.52165	1.7
189.12778	4.2
193.10161	3.7
194.10864	1.9
195.11765	15.2
195.13478	3.6
197.13266	16.0
199.14833	10.4
201.16394	3.0
203.14258	2.5
207.11652	4.3
207.13705	3.9
209.13219	8.3
211.14812	7.5
213.16386	10.0
219.17500	4.4
221.13333	4.0
223.14786	5.5
225.16414	6.9
227.12752	8.1
231.21046	2.2
235.16858	2.4
237.16347	4.9
237.18477	2.7
239.17946	2.3
241.19548	6.0
247.17033	3.1
249.16504	1.9
251.20242	2.1
257.18964	4.4
259.20572	14.8
269.21164	4.7
275.20004	11.7
279.15967	4.1
281.17297	8.3
297.22424	1.9
307.20465	2.2
311.20087	4.0
313.22092	2.2
333.24100	4.9
335.23526	3.1
339.23300	2.4
353.24719	2.3
387.25040	1.9
419.33438	3.4
429.31256	7.0
437.34235	12.1
447.32547	26.7
455.34930	2.2
465.33798	28.4
483.34732	19.1
501.35599	3.4
511.38028	2.4
521.36121	8.9
527.37506	2.7
529.38623	5.9
539.37329	100.0
540.37115	2.3
557.38745	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80910	1.7
53.03952	5.0
55.01871	2.0
55.05513	21.6
57.03429	5.1
57.07060	5.3
59.79195	2.1
65.03945	3.0
67.05162	3.6
67.05508	52.3
69.03392	2.4
69.07071	22.1
71.04990	3.0
71.62346	2.1
71.62712	2.2
79.05496	38.0
81.03416	5.9
81.07056	46.3
83.04979	5.8
83.08630	10.5
85.06539	2.3
91.05484	42.9
93.07050	43.5
95.04996	10.0
95.08607	35.6
97.06529	4.4
97.10167	5.7
99.08066	2.4
100.54012	1.9
104.82296	1.7
105.07027	37.6
107.04959	4.8
107.07967	1.9
107.08617	25.1
109.06550	4.1
109.10159	15.0
111.08118	2.2
117.07015	17.7
119.08579	31.3
121.06521	4.8
121.10141	13.7
123.08060	6.0
123.11697	3.4
128.06242	3.7
129.07019	21.4
130.07750	1.9
131.08569	29.7
133.06416	1.7
133.10124	19.8
135.08018	3.5
135.11690	11.6
137.09622	3.0
141.06987	8.2
142.07756	4.9
143.08562	29.2
145.06503	4.0
145.10117	30.8
147.08076	3.3
147.11676	19.6
149.09604	3.7
149.13229	5.5
151.11189	2.3
153.07013	2.9
155.08565	25.6
157.10143	21.1
159.08069	4.2
159.11710	20.1
161.09650	2.7
161.13277	12.6
163.11118	2.5
167.08566	11.6
168.09331	4.9
169.10133	24.9
170.10815	3.0
171.11702	24.9
173.09610	3.8
173.13234	12.5
175.14822	5.0
177.12752	2.8
179.08470	2.3
181.10088	12.5
183.11697	21.2
185.09680	2.6
185.13263	16.5
187.11243	4.5
187.14807	7.1
189.12746	3.6
193.10135	4.1
195.11674	14.8
196.12212	1.9
197.13237	16.8
199.14793	9.1
201.16499	2.9
205.09982	2.2
207.11726	4.4
207.13744	5.0
209.13292	9.5
211.14824	10.1
213.16426	12.1
215.17950	2.9
221.13310	4.9
223.14812	8.1
225.16408	6.5
227.14505	2.4
231.17334	2.7
231.20978	2.3
235.14789	2.9
237.16475	4.5
241.19533	8.3
247.16899	2.5
251.17941	2.3
257.19034	2.7
259.20532	16.9
267.20990	2.3
279.15903	6.1
281.17239	9.2
287.20172	2.6
297.21997	2.9
299.23624	2.1
315.23108	2.7
327.23560	2.6
333.24213	6.4
337.25485	2.3
353.24695	3.7
405.99323	2.0
429.31342	6.8
437.34198	12.8
447.32520	30.4
465.33679	29.4
483.34747	22.0
491.35300	2.3
501.35648	4.2
521.36438	12.0
529.38678	8.5
539.37354	100.0
540.37274	2.8
557.30389	4.3
557.38403	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11827	0.9
52.26593	0.8
55.01868	1.4
55.05502	4.4
57.03433	3.8
61.02927	6.0
67.05509	4.2
69.03433	4.0
69.07064	5.2
71.01357	2.4
73.02918	50.1
76.77416	1.1
77.42859	1.0
79.05495	3.7
81.07056	9.9
83.08620	2.6
85.02896	5.2
87.04460	1.2
91.05476	5.2
93.07047	10.5
95.04964	1.8
95.08609	17.7
95.09160	1.6
95.19043	0.9
97.02904	2.9
97.10191	1.1
98.20773	1.5
98.37660	0.9
105.07037	13.4
107.08585	12.4
109.06533	2.5
109.10151	7.3
115.03925	5.8
119.08579	21.6
121.10139	10.3
123.08067	1.3
123.11734	3.3
127.64587	1.3
129.07022	3.5
131.08572	4.9
133.04974	1.7
133.10136	11.9
135.08138	1.1
135.11694	13.4
137.13335	1.2
141.06976	1.3
142.07791	1.9
143.08569	16.2
145.10146	8.2
147.11720	8.5
149.13278	3.7
155.08470	2.0
156.09380	1.5
157.10117	11.5
159.11694	8.0
160.12138	0.9
161.09637	2.8
161.13283	6.8
163.14861	2.5
169.10168	2.5
170.10954	5.0
171.11688	3.8
173.13249	4.7
175.14828	6.5
177.16389	2.0
183.11732	4.1
185.13255	69.8
187.14799	5.5
189.12791	3.3
189.16382	39.6
191.17950	34.5
197.13275	2.6
199.14839	9.3
201.16429	3.8
203.14313	100.0
203.18044	4.0
207.17482	4.1
211.14864	2.4
213.16411	2.9
215.17999	2.4
217.15912	16.3
217.19536	1.6
219.01877	1.3
225.16441	1.9
227.18071	1.9
241.19379	1.1
253.19420	1.7
257.22650	1.2
265.15488	1.0
267.21246	1.4
295.24063	1.0
321.20831	1.2
330.08975	1.3
339.21613	9.1
389.31946	9.1
407.08420	1.5
407.32999	12.1
407.80704	1.0
425.33945	6.2
515.33722	1.8
539.37500	4.2
557.30823	2.7
557.38440	68.1
558.38403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12416	1.1
51.02376	1.4
51.14135	1.2
52.59717	1.0
53.03947	6.4
55.01873	22.9
55.05254	2.0
55.05509	33.8
57.03430	4.7
57.07069	1.9
59.04996	2.7
65.03933	4.2
66.43876	1.0
67.05503	58.0
69.03418	3.6
69.07069	40.6
71.01327	1.5
71.04999	5.5
71.08599	1.0
71.61722	2.3
78.84220	1.1
79.05492	62.2
81.03423	17.8
81.07056	73.9
83.01327	6.7
83.04977	20.2
83.08614	18.3
85.02910	2.1
85.06568	2.5
91.05481	80.6
93.07045	59.2
95.01331	12.3
95.04973	19.1
95.08604	45.7
97.02911	2.9
97.06530	26.9
97.10170	7.9
99.04443	2.3
99.08112	1.3
103.05486	2.0
105.04536	1.8
105.07028	88.0
107.04948	30.7
107.08589	33.0
109.02885	1.3
109.06521	12.4
109.10156	11.4
111.04456	3.6
111.08054	5.6
115.05476	4.8
117.07021	27.0
119.08584	53.5
121.06509	7.8
121.10134	16.3
123.04446	2.7
123.08063	11.7
123.11720	2.5
125.06026	2.0
125.09644	4.4
128.06299	1.4
129.07002	6.2
130.07742	2.9
131.05019	1.3
131.08560	31.0
131.09497	1.9
133.06520	2.2
133.10129	49.1
135.04350	1.3
135.08047	7.2
135.11700	12.9
137.09647	3.5
139.07538	2.3
141.07011	2.9
143.08559	6.4
145.06516	3.3
145.10123	33.9
147.08061	2.6
147.11685	18.9
149.09608	11.2
149.13231	5.7
151.11165	1.9
153.12752	3.7
155.08582	4.3
157.10118	5.6
159.11690	14.2
161.09636	1.4
161.13248	8.0
163.11192	25.3
163.14792	1.6
165.09148	3.3
165.12798	1.6
167.08650	1.1
169.10126	3.3
171.11737	4.5
173.09665	4.6
173.13258	6.4
175.11194	2.3
175.14769	1.6
177.12770	3.6
179.14314	24.0
181.12241	2.7
183.11726	4.1
185.13330	2.0
187.11143	5.4
187.14848	2.1
189.12791	1.6
191.10670	2.0
195.13834	1.3
197.13274	4.1
201.12802	1.5
205.12222	1.5
209.11732	3.7
209.15341	1.4
211.15031	1.2
215.18005	1.8
219.13892	1.7
219.17445	10.6
227.12851	3.2
229.19553	3.3
237.01671	1.1
239.18019	4.3
247.20625	2.7
257.18997	9.9
259.92026	1.0
275.20050	100.0
276.20474	2.1
283.15472	3.0
293.21207	5.0
305.74335	1.0
313.21674	1.7
349.23807	3.9
471.22559	1.2
483.31448	1.3
539.33618	5.7
557.34796	69.9
558.35303	1.7
575.36346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3299
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
53.03951	0.6
55.05519	0.6
56.96565	0.6
62.03386	0.4
67.05511	0.7
69.03438	0.9
69.07076	0.6
70.32160	0.4
70.94983	0.9
71.04979	0.5
73.02923	1.6
79.05505	0.8
81.07063	1.6
85.02918	1.7
91.05487	1.0
91.24307	0.4
93.07061	1.4
95.04975	0.7
95.08070	0.4
95.08588	2.0
98.97599	0.8
105.07046	1.2
107.08610	1.9
109.06502	0.5
109.10165	0.9
115.03924	0.5
116.98674	0.5
117.07040	0.5
119.08611	1.6
121.10130	0.8
123.11699	0.4
127.03952	0.7
129.05455	0.5
133.10182	1.4
135.41283	0.4
145.10204	0.9
147.11732	0.8
151.11263	0.5
157.10081	0.5
158.99609	0.5
159.11719	0.7
159.92326	0.4
191.17911	0.6
201.16364	0.4
367.53528	0.5
377.26538	2.4
395.27725	2.4
407.08698	0.8
407.33231	1.0
425.25177	0.4
513.34619	0.7
518.09967	0.5
539.31848	3.2
557.33136	100.0
558.33228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01864	2.7
55.05507	1.6
56.96571	1.1
57.03441	4.3
57.07060	0.8
60.07905	0.7
61.02921	3.6
62.15173	0.7
65.03934	1.5
65.78380	0.6
67.05495	2.7
69.03429	6.4
69.07059	1.7
70.03767	1.8
71.01353	1.5
71.04986	2.1
73.02919	18.2
74.03254	1.0
77.07367	0.8
79.05486	3.0
80.80864	0.6
80.92743	0.7
81.03412	1.7
81.07049	4.7
83.04985	1.2
85.02905	14.0
86.03250	2.0
87.04446	1.4
88.72796	0.6
91.05480	40.1
92.05807	12.7
93.07053	5.1
95.05003	0.9
95.08607	6.1
97.02906	8.7
98.03230	1.5
98.97576	4.0
99.04475	0.8
99.08105	1.8
105.07041	5.0
107.08588	8.6
109.02883	1.1
109.10170	3.6
110.97604	0.9
115.03918	5.0
116.98666	0.9
119.08588	6.2
121.10157	3.8
123.11671	1.3
127.03929	4.4
129.07077	0.7
131.08585	3.8
133.04962	4.7
133.10130	3.7
134.05360	0.9
135.11717	3.5
137.06038	0.8
137.13307	0.9
143.00096	0.7
143.08551	1.6
145.04955	6.0
145.10095	4.1
147.11688	5.3
149.13240	1.4
157.10168	1.7
158.99646	1.9
159.11664	3.6
161.13271	1.4
169.10172	1.1
170.99765	1.1
171.11687	2.2
173.13322	2.7
175.14890	2.2
177.00807	0.9
177.16452	1.0
183.11687	2.5
185.13306	1.9
187.14830	2.0
189.16447	1.3
191.17883	0.9
197.13168	1.1
199.14926	2.5
201.16425	2.6
203.05347	1.9
203.14450	0.9
209.03307	0.8
211.14818	1.0
213.16399	1.4
215.18042	0.9
219.01901	1.2
219.17691	0.8
227.17998	1.2
231.01857	1.0
233.08090	0.7
237.02744	0.9
245.08186	1.3
249.06314	1.7
253.19955	0.8
266.96646	0.6
267.21259	1.4
271.20615	1.2
285.22153	0.8
335.09769	0.8
335.27240	1.3
377.26605	25.7
377.31262	1.3
395.27701	2.0
407.33289	4.0
425.34113	1.5
557.33057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.6
55.05511	22.0
56.70671	2.5
57.03440	15.8
57.07076	45.7
58.06628	2.9
59.04977	3.0
61.32297	2.3
67.05502	24.8
69.07072	16.4
70.06599	14.5
71.08633	32.9
71.62168	3.5
75.92408	2.7
79.05495	20.5
81.03414	10.1
81.07063	29.5
83.01350	8.8
83.04974	11.3
83.08625	20.6
85.02937	3.2
85.10178	18.2
86.09646	2.7
88.07627	7.8
89.06042	28.0
91.05491	9.3
93.07050	26.4
93.65705	2.5
95.04980	3.7
95.08610	27.5
97.06546	5.2
97.10191	6.5
99.04462	2.6
102.09207	2.8
105.07045	10.0
107.04990	5.6
107.08610	11.2
107.79409	2.6
109.06517	3.3
109.10159	8.4
117.07048	4.8
117.09190	2.8
119.08588	7.3
121.06529	4.3
121.10168	6.8
123.08086	9.8
123.11732	3.3
131.08556	2.7
132.10243	4.4
133.08604	15.3
133.10141	3.8
135.11684	9.6
145.10127	15.2
146.11774	6.0
163.11212	21.4
173.09573	4.4
177.11261	7.2
180.75903	2.8
181.12285	3.4
209.11797	7.6
227.12682	2.7
256.26392	11.4
261.24100	2.5
283.15408	100.0
283.26328	44.9
300.28922	25.5
311.29556	5.8
313.27359	95.2
314.27692	3.0
371.22922	6.8
388.45840	3.3
521.38428	46.2
556.53027	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26919	1.9
53.03941	2.3
55.01865	3.4
55.05507	13.6
57.03436	12.6
57.06823	3.7
57.07077	52.2
66.05283	2.1
67.05501	26.5
69.07080	11.9
69.65433	9.1
69.65848	5.0
70.06578	9.3
71.08641	31.7
79.05487	22.6
81.03436	3.4
81.07066	27.7
83.04973	3.8
83.08618	19.1
85.10181	15.6
85.11603	2.5
88.07603	5.5
89.06046	17.8
91.05473	9.2
93.07048	33.7
95.04958	5.1
95.08035	4.0
95.08607	50.7
97.02886	3.4
97.06551	4.5
97.10159	7.1
99.04407	4.4
102.09218	2.1
105.07005	8.1
107.04951	7.6
107.08597	25.8
109.10181	12.9
117.06989	9.1
119.08556	9.5
121.06539	5.1
121.10139	11.7
123.11749	2.9
125.05943	2.5
130.07768	2.8
132.10197	3.4
133.08585	10.2
133.10133	4.8
135.11696	44.0
139.07553	2.3
145.10133	30.2
146.11732	4.7
163.11188	54.2
177.11194	2.7
181.12241	9.1
183.03555	2.8
221.13841	2.6
227.12773	85.3
230.53177	2.4
240.42265	2.4
256.26315	6.6
283.15384	72.1
283.26282	31.0
300.28973	19.4
311.29279	5.3
313.27362	100.0
371.15414	2.7
371.22885	3.0
466.74686	2.3
521.38391	66.0
556.52972	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03430	1.7
61.02921	2.1
65.03928	1.6
69.03419	4.2
71.61970	0.5
71.62335	0.7
73.02917	14.5
81.03416	1.0
81.07058	0.7
82.28282	0.6
85.02900	8.7
91.05479	100.0
94.32275	0.7
95.08617	0.8
97.02901	10.4
98.97525	0.7
99.04479	0.8
105.07040	0.8
109.02926	0.9
115.03926	3.9
127.03914	2.5
131.08521	0.6
133.04941	4.7
145.04973	4.1
150.07622	0.7
163.06049	1.2
167.03444	1.4
168.34648	0.6
223.06027	0.8
245.08110	5.2
264.60440	0.6
367.75150	0.7
376.87885	0.7
556.28192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03437	4.7
59.04992	0.8
61.02925	4.7
65.03944	1.5
67.05499	0.7
69.03429	10.2
70.89901	1.3
71.01362	1.4
71.05020	1.2
71.38694	0.5
73.02921	20.0
73.21906	0.5
76.93045	0.5
77.55125	0.5
79.05489	1.0
81.03422	1.5
81.07037	0.7
85.02909	22.2
85.06532	0.7
87.04466	1.9
91.05482	100.0
91.43851	0.5
92.05823	0.6
93.07043	0.6
95.08625	0.9
97.02271	1.0
97.02896	18.7
98.97624	1.1
99.04452	1.3
99.55202	0.5
103.03957	1.0
105.07043	0.9
107.04971	2.1
107.08583	0.5
109.02877	1.8
115.03921	9.1
119.08594	0.6
126.87845	0.4
127.03915	7.4
127.04788	0.6
128.98680	0.8
133.04977	10.1
145.04967	9.5
145.10147	0.9
163.06052	2.9
167.03461	1.0
167.54236	0.5
173.34447	0.5
191.18011	0.5
193.04967	1.1
203.41444	0.5
223.06029	1.4
231.22945	0.5
241.07121	2.0
245.08099	6.2
259.08090	1.1
376.25516	0.6
556.27954	3.5
557.33057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.1
60.28588	0.7
69.03423	1.1
71.61049	1.1
73.65849	0.6
75.20260	0.5
79.05487	1.1
85.02898	1.4
90.18796	0.7
93.07030	1.2
97.02887	0.8
98.97584	2.1
103.05466	5.6
107.04965	3.7
110.97543	0.7
116.98632	1.3
120.08109	100.0
121.02877	1.3
121.08427	1.0
127.03933	0.9
131.00293	0.6
131.04942	2.4
145.04912	0.9
149.05974	2.3
163.03888	1.4
164.64561	0.6
166.08643	51.0
167.07065	3.1
181.08609	1.2
211.09605	3.0
219.01833	0.9
237.02873	1.4
289.07510	0.8
535.62372	0.8
556.07959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.8
56.60563	2.2
56.96563	6.3
57.03410	3.9
65.91990	2.3
67.05476	5.1
67.25500	2.1
69.03424	13.6
69.07085	5.6
69.31290	11.1
69.31717	9.8
73.02927	12.6
78.44859	2.3
79.05493	4.4
81.07066	7.6
83.04980	11.6
83.08639	12.6
85.02907	22.9
85.06526	3.5
91.05473	7.4
93.07037	15.3
93.70376	2.2
95.04983	14.6
95.08611	7.5
97.02903	12.5
97.06551	3.5
97.10152	3.1
98.21494	5.7
98.97588	3.0
99.04465	4.1
103.03938	2.5
105.07041	6.9
107.08599	14.6
109.02885	3.8
109.06483	5.6
109.10161	7.8
109.96053	2.2
111.08085	7.0
112.50806	2.0
115.03953	5.4
115.07588	3.8
119.08556	4.1
121.10134	29.9
123.11718	5.6
125.09635	3.9
127.03907	7.9
131.08580	4.5
133.04935	4.7
133.10124	9.8
137.05948	14.8
145.05031	6.1
151.11180	23.7
153.09100	6.7
157.08601	3.1
163.14856	6.9
167.14333	18.4
173.13254	8.9
175.81929	2.4
187.07593	3.0
189.09167	4.3
191.14305	9.5
203.07501	3.1
205.04991	2.3
209.15356	100.0
221.05968	2.7
227.12848	3.0
227.16460	7.0
241.07089	3.7
243.09081	4.6
249.05418	3.8
259.08224	3.2
261.10144	11.9
272.13284	3.4
295.06030	7.2
323.05515	10.7
323.13098	2.5
405.14496	12.9
405.19147	2.6
556.20020	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	555.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43485	0.3
52.99183	0.2
54.03112	0.3
67.05478	0.4
73.02906	0.3
79.05474	0.4
81.03423	0.4
81.07064	0.6
83.45989	0.3
85.02882	0.6
87.96251	0.2
88.72246	0.3
91.05481	0.6
93.07057	0.3
95.08606	0.6
97.06597	0.3
98.20721	0.7
98.97571	0.3
104.98792	0.2
105.07008	0.5
107.08613	0.3
109.10159	0.6
119.08563	0.6
123.11733	0.4
145.10107	0.4
147.11632	0.3
159.11687	0.5
161.93466	0.2
171.11703	0.3
201.12599	0.3
221.04990	0.4
229.51776	0.4
265.62372	0.3
275.07269	0.5
335.09525	1.4
375.24927	0.4
393.26416	0.4
423.23538	6.8
555.27625	100.0
556.28149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
55.01873	26.6
55.05511	28.3
57.03443	4.2
57.07075	3.9
65.03922	4.3
67.05504	76.0
69.03441	3.7
69.07069	41.1
71.04991	3.3
71.08637	2.5
77.03895	2.4
79.05496	79.5
79.05957	4.3
80.46116	1.7
81.03411	15.3
81.07056	80.8
83.04978	19.6
83.08635	10.1
85.10178	2.5
91.05479	84.1
93.07046	59.2
95.01346	10.6
95.04971	24.1
95.08602	50.4
97.05894	3.0
97.06530	55.3
97.10184	4.6
97.74522	2.3
98.98472	10.0
103.05469	2.6
105.04504	2.8
105.07028	92.1
107.04955	32.2
107.08597	29.2
109.06516	8.2
109.10155	15.5
111.08096	3.5
113.09663	2.3
115.05444	2.4
117.07030	18.8
119.08577	48.1
121.06480	6.5
121.10136	11.4
123.04394	2.8
123.08061	9.3
123.11689	5.2
125.09589	3.3
128.06268	3.8
129.07014	12.9
131.08582	25.4
133.06519	4.2
133.10126	44.2
135.08092	5.6
135.11696	11.1
137.09621	5.3
141.06969	4.7
143.08597	11.0
145.06454	3.7
145.10133	23.9
147.08083	4.2
147.11690	31.3
149.09587	9.9
149.13257	4.6
155.01045	9.8
157.10150	3.7
159.11700	13.2
161.09653	3.6
161.13272	14.8
163.11203	8.3
165.09143	4.7
169.10106	3.7
171.11711	21.5
173.13226	5.9
175.11263	2.2
175.14838	2.2
177.12729	3.1
179.14322	21.2
183.11676	3.1
187.11145	2.9
189.12769	7.4
195.13718	2.2
197.13240	2.1
207.13802	11.9
239.17912	5.0
239.28889	1.8
247.20709	5.3
257.18979	9.0
275.20056	100.0
279.15921	12.8
293.21158	9.0
313.27325	9.3
349.24005	2.4
549.44067	2.8
555.36859	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27584	1.4
55.05509	8.9
55.66089	1.3
57.03444	1.5
57.07058	3.5
57.83324	1.8
60.52122	1.4
61.02910	1.5
63.07303	1.5
67.05486	6.7
69.03432	3.3
69.07070	14.6
69.57885	6.9
69.58308	3.4
73.02904	2.1
79.05495	7.0
81.03416	2.7
81.07052	10.9
83.08600	10.1
84.08176	1.3
85.02908	16.7
91.05463	6.7
93.07046	20.6
95.04922	1.6
95.08604	37.1
97.02885	4.8
97.10157	5.8
98.97571	1.7
105.06996	5.7
107.08601	50.5
109.02860	1.9
109.06493	1.9
109.10146	12.8
111.07983	1.8
116.98631	1.7
119.08583	2.5
121.10145	75.5
123.11691	5.9
125.09635	1.9
127.03905	5.0
135.11684	19.0
135.74612	1.3
137.05983	2.0
137.13268	22.7
139.11163	3.3
145.04958	7.8
149.13235	6.5
157.51370	1.3
163.06058	3.5
177.16383	100.0
178.16765	1.9
195.17453	24.5
207.13765	1.8
225.98343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
56.68478	0.9
61.02932	1.1
69.03433	1.9
70.06603	1.0
71.62106	1.6
73.02881	1.3
79.05494	1.4
81.07071	1.3
85.02929	6.2
93.03381	1.4
95.08606	1.4
97.02847	1.4
103.05463	30.4
105.07058	1.9
107.04916	1.2
109.10186	1.5
110.97631	1.1
111.04427	1.2
117.07014	1.3
121.10100	1.3
125.05978	2.1
127.03904	1.1
131.04926	100.0
137.05975	7.5
143.04967	1.2
145.06480	2.0
151.07491	1.3
153.05476	8.2
159.27704	1.0
163.07544	52.5
167.06970	7.8
177.09123	1.1
191.07039	3.1
203.07054	7.4
205.08582	3.5
225.14833	1.8
233.08055	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	554.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01863	1.8
55.05509	12.6
56.78428	0.9
57.03432	4.8
61.02926	2.7
67.05500	2.4
67.45036	1.0
69.03429	7.3
71.01369	1.1
71.05000	6.7
71.61379	2.3
73.02917	15.5
79.05463	1.3
80.99579	1.0
81.07051	3.9
83.04973	17.8
85.02414	1.5
85.02898	16.0
87.04437	1.2
90.56437	1.0
91.05470	1.9
93.07026	4.1
95.04966	92.2
97.02890	9.5
98.44377	1.1
98.97555	2.6
99.04448	14.6
105.07004	2.2
107.08611	5.8
109.02869	1.6
109.06522	1.8
109.10156	4.4
114.16325	1.2
115.03934	4.3
119.08586	2.3
121.10153	3.6
123.08016	2.3
123.11694	1.2
125.09618	4.7
127.03941	5.3
133.04944	3.3
135.08069	2.4
135.11710	2.0
137.09619	2.5
143.10713	2.2
145.04945	5.5
145.10118	1.6
147.04382	1.2
147.11726	1.9
147.48132	1.2
149.09624	19.0
153.09099	43.0
158.99716	1.5
161.13248	2.0
163.05914	1.5
163.11313	1.2
189.12689	3.3
195.07777	3.1
195.09883	1.0
207.13811	19.2
209.15457	1.4
219.01575	1.5
223.05931	1.1
225.03433	1.0
225.14844	100.0
243.15919	3.1
267.15836	1.8
269.10474	2.1
280.14264	1.8
285.10886	2.1
370.17477	2.2
387.20435	1.6
437.78009	1.2
536.14655	1.9
554.15637	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	553.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62563	0.4
55.05503	0.5
55.06059	0.4
67.05496	0.7
69.03448	0.6
71.61337	0.6
79.05465	0.8
81.07039	0.8
85.02919	0.6
93.07040	0.6
95.08593	1.5
97.06512	0.4
105.07029	0.9
107.08585	1.4
109.10134	0.8
119.08569	0.9
121.10143	1.1
130.32982	0.4
131.08548	0.5
145.10077	0.9
189.10950	0.4
315.89487	0.5
333.08011	0.5
335.09418	5.7
421.22015	9.8
553.26141	100.0
554.26245	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	553.2775
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05503	3.4
56.12449	2.7
56.96559	7.6
62.69950	2.5
67.05489	5.1
71.61713	3.3
79.05478	4.8
81.07055	7.3
93.07015	3.2
95.08593	6.6
98.97574	11.8
107.08580	3.0
109.10164	4.0
112.99113	3.6
116.98623	6.3
119.08592	5.1
121.10140	3.7
131.00183	5.4
135.11647	3.9
149.01204	3.1
151.64464	2.5
158.99673	5.7
177.00694	5.3
293.05328	8.3
297.30426	2.7
299.86884	3.5
317.17892	13.6
341.27579	2.8
553.27490	100.0
553.35181	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	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.80796	0.3
55.05499	0.5
55.93029	0.4
65.02789	0.3
67.05486	0.7
67.98905	0.3
69.07063	0.5
71.54054	0.3
71.60670	0.6
79.05495	0.7
81.07054	1.1
83.01104	1.1
85.02904	0.5
91.05502	0.4
91.45938	0.3
93.07045	0.9
95.01097	0.5
95.04945	0.3
95.08603	0.8
96.01895	0.6
97.98017	0.3
105.07009	0.7
107.08574	0.8
109.10165	0.5
119.08589	0.7
121.10117	0.5
125.19496	0.4
145.10086	0.6
177.22841	0.4
184.03435	0.7
185.04198	1.1
201.03699	1.2
201.16582	0.4
203.05307	1.8
257.74072	0.4
259.08017	1.9
317.19623	0.8
321.17126	0.5
331.09943	2.4
335.20657	0.4
345.11539	0.7
359.13217	0.4
373.15054	0.5
382.36298	0.4
391.24557	0.9
400.51944	0.4
415.19656	0.5
455.22885	0.6
483.22095	1.6
535.28705	0.6
553.29840	100.0
554.30139	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	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09187	0.7
67.05490	1.3
69.07076	1.4
69.93681	0.7
71.04976	0.9
71.61629	1.2
77.00893	0.7
78.74191	0.6
79.05485	1.0
81.07046	1.9
85.02893	1.3
91.05507	1.1
93.07042	1.1
95.08589	1.7
105.07004	1.7
106.70227	0.7
107.08580	0.7
109.10185	1.1
119.08571	1.2
121.10108	0.9
131.08540	0.9
133.10114	1.0
135.11705	0.7
147.11781	0.7
159.11612	0.9
185.04207	2.4
201.03751	1.2
275.07513	1.6
317.19641	0.8
331.09991	2.9
471.14807	0.8
483.21719	1.3
553.29706	100.0
554.30420	1.0
570.19031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00789	1.1
57.03467	1.1
60.08166	2.3
62.89573	1.1
64.77216	1.3
67.05498	1.8
69.07060	1.5
71.61994	1.2
79.05496	2.2
81.07049	2.4
83.08609	1.4
86.09683	3.3
91.05465	2.5
93.07052	2.7
95.08601	4.0
98.97574	5.1
104.10769	5.6
105.07014	3.2
107.08588	2.6
109.10149	2.8
110.97580	1.6
113.56903	1.2
119.08585	2.6
121.10114	1.4
125.00018	1.7
128.98621	3.7
131.08562	1.7
133.10161	1.5
135.08093	1.6
140.65408	1.5
143.00163	1.5
143.08638	1.5
145.10158	1.5
147.11679	2.0
157.10164	1.8
159.11751	1.8
169.10199	1.3
170.99519	1.7
171.11688	1.5
184.07329	6.2
187.14835	1.6
197.13280	1.6
231.01694	1.3
249.02856	3.0
282.88913	1.3
291.03702	1.3
433.18671	1.7
553.23834	100.0
554.24274	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	553.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74095	0.2
67.05497	0.5
69.03428	0.4
71.61130	0.4
74.06243	0.2
79.05505	0.6
81.07063	0.6
81.32201	0.2
85.02908	0.5
91.05474	0.5
93.07043	0.6
95.04958	0.4
95.08607	0.7
97.02917	0.4
99.04421	0.3
105.07077	0.5
107.08594	0.7
109.10155	0.6
119.08559	0.4
121.10147	0.4
133.10167	0.3
137.05974	0.5
138.20555	0.2
141.05312	0.4
145.10153	0.2
154.02434	0.3
155.03145	1.1
167.07069	0.9
169.04750	0.6
171.02629	0.7
185.04301	0.3
187.14722	0.3
201.03726	0.6
203.05321	0.8
224.17267	0.4
229.06854	0.5
236.42720	0.3
247.40459	0.3
275.07410	0.8
289.08981	0.5
299.07324	0.4
301.09113	0.5
317.08398	1.7
333.07916	21.3
335.09470	13.8
421.21780	1.8
469.16757	0.9
484.19455	0.3
535.34320	0.5
553.26196	100.0
554.26355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.0
61.09736	7.0
67.05498	24.3
69.03422	21.1
69.07063	49.5
70.73370	14.8
70.73750	13.9
71.08665	6.8
79.05500	18.7
79.53001	6.9
81.07059	96.3
83.04986	6.9
83.08617	22.7
83.88555	6.1
85.02905	17.5
85.06524	10.6
87.28923	7.5
91.05483	9.1
93.07050	43.3
95.08607	86.3
97.02882	17.6
97.10179	8.6
99.04446	15.6
105.07014	27.7
107.08605	60.4
109.06480	15.7
109.10159	46.9
117.05453	6.6
119.08567	19.1
119.72475	6.5
121.10158	32.5
123.11716	35.9
127.86836	6.1
133.05035	8.1
133.10114	29.9
135.11694	28.7
137.13252	33.8
145.04935	9.7
147.11670	32.1
149.13249	31.0
151.11151	37.0
159.11662	7.1
165.12773	19.8
167.14284	8.2
171.11674	7.7
175.11142	13.9
181.12260	9.3
193.12195	33.9
205.19533	14.2
207.13765	12.6
209.15535	6.8
220.40826	6.3
229.14301	35.2
257.95984	7.4
307.77158	6.6
319.26309	68.2
337.27298	100.0
355.28632	31.8
436.27548	7.0
483.41785	6.5
552.24615	13.3
553.26129	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	553.2415
Annotation	7-Isovaleroylcycloepiatalantin
Peak:m/z	Relative Intensity
50.00789	1.1
57.03467	1.1
60.08166	2.3
62.89573	1.1
64.77216	1.3
67.05498	1.8
69.07060	1.5
71.61994	1.2
79.05496	2.2
81.07049	2.4
83.08609	1.4
86.09683	3.3
91.05465	2.5
93.07052	2.7
95.08601	4.0
98.97574	5.1
104.10769	5.6
105.07014	3.2
107.08588	2.6
109.10149	2.8
110.97580	1.6
113.56903	1.2
119.08585	2.6
121.10114	1.4
125.00018	1.7
128.98621	3.7
131.08562	1.7
133.10161	1.5
135.08093	1.6
140.65408	1.5
143.00163	1.5
143.08638	1.5
145.10158	1.5
147.11679	2.0
157.10164	1.8
159.11751	1.8
169.10199	1.3
170.99519	1.7
171.11688	1.5
184.07329	6.2
187.14835	1.6
197.13280	1.6
231.01694	1.3
249.02856	3.0
282.88913	1.3
291.03702	1.3
433.18671	1.7
553.23834	100.0
554.24274	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	551.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82037	0.7
52.98481	0.7
53.03943	2.6
55.01865	1.9
55.05511	14.1
57.03437	5.8
57.07076	30.5
58.05999	0.8
65.03938	2.1
67.05162	1.7
67.05504	25.1
68.43723	0.7
69.03430	2.2
69.07064	10.8
70.91131	0.8
71.04987	3.2
71.08631	23.8
79.05494	13.1
81.03417	36.6
81.07056	28.9
83.04984	7.2
83.08621	20.2
85.02904	22.3
85.06592	1.0
85.10178	15.2
91.05480	15.9
93.07056	10.2
95.04966	12.2
95.08606	25.4
97.02866	1.4
97.06529	2.2
97.10172	8.9
98.21494	2.6
99.08079	1.5
99.11738	1.2
105.07029	11.2
107.04955	3.2
107.08607	4.6
109.06528	3.3
109.10156	10.7
111.04491	1.9
111.08067	6.2
111.11721	2.6
113.06020	1.8
117.06957	1.5
119.08582	11.0
121.10187	4.1
123.08058	1.1
123.11710	5.5
129.07027	5.4
131.08569	6.1
133.10149	3.9
137.09631	1.1
137.13264	2.0
142.07782	1.6
145.10120	1.1
147.08055	1.5
147.11696	8.0
149.09628	2.8
157.10118	6.7
165.12753	1.4
175.11165	7.2
193.12241	36.3
211.13289	40.8
223.49944	0.8
229.55151	1.0
249.14993	1.0
267.15811	4.2
267.26953	3.9
341.30414	4.6
392.71851	0.8
518.54321	0.8
533.41711	2.0
551.43085	100.0
552.43304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08461	10.2
55.05513	12.7
55.14853	9.3
58.29898	8.9
66.84071	9.3
67.05492	20.2
69.03430	34.5
69.07059	23.8
69.66827	65.4
71.04993	29.4
72.16760	10.6
73.02934	16.0
79.05495	41.3
81.03410	17.0
81.07050	100.0
83.04975	15.7
83.08643	13.5
85.02898	50.6
87.97120	10.3
91.05476	23.0
93.07043	35.5
95.08611	85.1
97.02883	32.2
97.06532	10.4
97.10210	11.8
99.08079	13.8
105.07042	47.3
107.08602	63.1
109.10157	81.4
109.64099	9.7
111.08082	11.5
115.03938	9.8
116.12151	9.3
119.08590	49.5
121.10154	33.9
121.41692	9.4
123.11668	50.6
127.11217	21.0
133.04967	18.6
133.10146	47.8
135.11668	60.2
137.06018	21.0
137.13258	12.2
140.73547	10.2
145.04930	12.4
147.11681	36.1
149.13278	18.0
153.01898	24.3
153.12733	33.6
161.13237	13.3
163.14867	17.7
167.07059	35.8
177.16486	10.1
181.08644	12.3
191.18011	15.4
202.79167	9.0
203.17986	81.0
204.18318	31.5
221.19006	41.0
222.19354	21.0
239.20152	55.5
241.08614	31.9
303.08691	34.2
326.15201	10.6
459.90747	11.2
551.24243	36.6
551.31970	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	551.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61508	5.6
55.05491	7.9
67.05485	10.7
69.03426	7.1
69.07077	6.7
71.40681	11.1
73.02905	5.6
74.35388	5.7
79.05468	8.1
81.03405	6.9
81.07066	31.8
81.07873	5.3
85.02902	18.4
85.06535	5.9
93.07035	21.1
95.04965	6.4
95.08598	19.6
97.02918	6.9
103.05472	14.3
105.07011	18.1
107.08561	19.1
109.06474	6.2
109.10165	13.4
119.04894	5.6
119.08566	24.7
121.06477	5.5
121.10168	7.9
123.11707	14.5
125.09798	5.5
131.04924	12.4
133.10112	7.6
135.08099	6.1
135.11623	13.6
137.05974	58.4
145.10118	10.3
147.11714	11.0
151.03900	12.6
151.07555	10.5
151.11243	6.3
153.01772	29.1
157.09993	5.7
163.07484	18.4
167.07031	22.6
171.02956	12.7
177.05519	8.0
181.04907	6.8
187.14818	5.9
193.12175	6.7
203.17952	13.3
221.19005	8.7
249.18303	5.8
250.42148	5.5
262.88324	6.0
300.14798	5.6
303.08676	14.3
317.24710	9.3
317.62650	5.8
335.25836	9.3
353.26791	8.7
387.13574	5.1
491.80960	5.8
519.19214	8.2
551.24762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29639	0.6
53.03942	0.5
55.01863	1.1
55.05520	0.7
55.85663	0.5
57.03410	0.4
61.02894	0.7
63.58321	0.5
67.01862	5.2
67.05483	0.7
68.99789	2.8
69.00110	0.4
69.03424	3.6
69.07046	0.8
69.40621	3.8
71.04999	1.0
73.02902	1.1
79.05467	0.6
81.03417	3.1
81.07046	2.9
82.04030	0.4
83.01345	0.6
83.04946	0.6
85.02900	6.1
85.06548	0.8
87.00806	1.4
89.03889	1.1
91.05476	1.4
93.03410	0.9
93.07030	1.8
95.04955	0.8
95.08602	1.9
97.02879	3.0
98.97565	0.7
99.04480	1.1
105.01841	1.2
105.07044	1.3
107.04920	0.6
107.08604	1.9
109.02874	3.3
109.06551	0.6
109.10153	2.3
111.04436	0.6
117.03365	4.5
118.36128	0.4
119.04981	0.9
119.08579	1.7
121.06451	0.6
121.10163	1.1
123.04415	1.3
123.11685	1.0
125.02292	0.7
125.06082	0.4
127.03901	4.4
129.01851	1.4
131.04927	0.5
131.08504	0.6
133.02818	0.7
133.10106	1.3
135.11702	1.2
137.05983	5.9
138.28894	0.5
145.02844	12.0
145.04921	1.3
147.11674	1.2
149.05998	2.2
151.03868	0.8
151.07539	5.9
151.11163	0.5
153.01825	100.0
153.12750	0.5
154.02127	0.6
157.10231	0.5
159.02887	1.6
161.05975	1.0
161.13234	0.6
163.03918	1.3
163.07475	0.6
163.11093	0.5
163.14825	0.6
167.07030	6.1
171.02885	25.6
175.10992	0.6
177.05476	21.3
179.03397	7.4
187.07657	0.6
191.07013	0.7
195.02913	2.8
203.17921	1.6
219.02969	0.5
221.19070	1.1
239.20097	0.5
253.05441	0.4
261.07553	0.5
285.07581	0.7
291.03824	0.5
303.08621	85.0
304.08917	1.1
317.24527	0.9
324.52414	0.5
330.46170	0.5
335.25867	1.4
345.09726	1.0
353.27020	1.2
369.09460	0.6
371.27670	0.6
401.07321	1.1
433.91693	0.5
551.23706	0.9
551.31714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
56.91095	0.4
56.96547	0.5
65.99625	0.4
67.05511	0.8
69.03431	0.5
69.07054	0.8
71.61814	0.6
79.05490	0.8
81.07046	1.0
83.08623	0.6
85.02916	0.7
91.05479	0.5
93.07044	1.0
95.08588	1.2
97.02876	0.6
105.07043	1.3
107.08604	0.9
109.06495	0.4
109.10155	0.8
116.98581	0.5
119.08559	1.0
121.10099	0.5
124.13625	0.4
131.08591	0.5
133.10147	0.7
135.11763	0.6
136.45236	0.4
185.04257	0.6
201.16394	0.5
203.05219	0.9
259.08029	1.3
315.19327	0.7
349.73935	0.5
354.47845	0.5
389.23001	2.8
455.22223	0.4
551.28241	100.0
552.28394	1.8
576.28583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1033
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03952	2.1
55.01871	2.1
57.03442	1.1
61.02922	1.2
63.03649	0.2
63.45626	0.2
65.03940	0.2
68.99784	1.3
69.03071	0.3
69.03429	5.7
69.27150	1.0
69.27580	1.0
71.04989	1.1
73.02925	1.6
81.03419	8.0
81.07058	0.3
85.02908	11.0
87.00832	5.3
87.04447	0.3
91.03949	0.5
93.03347	0.2
95.04961	0.3
95.08645	0.2
97.02895	4.4
99.04459	2.5
103.05477	0.3
105.01876	2.6
105.07030	0.5
107.08574	0.3
109.02885	6.7
111.00801	1.0
115.03925	0.2
117.01850	0.7
121.02874	0.9
123.04440	0.3
127.03917	9.1
129.01816	0.6
131.04930	0.7
135.04393	0.2
137.02353	3.0
137.05989	0.6
145.04958	2.5
145.10123	0.3
147.02835	0.4
149.02371	0.4
149.05925	0.2
153.01839	4.0
159.02896	3.8
161.05975	0.7
163.03963	0.6
163.07599	0.4
165.01819	2.3
166.02591	0.3
167.03392	0.8
167.07063	0.6
173.05998	0.3
173.13316	0.3
177.05501	0.4
183.02942	0.4
183.04379	0.3
187.03893	0.4
191.03412	0.4
191.06920	0.2
193.08562	0.3
195.02834	0.2
201.05486	2.1
213.05743	0.2
219.06488	0.3
229.04962	4.3
231.04964	1.2
247.06032	0.7
257.04422	2.1
274.04874	0.4
275.05338	0.3
278.98557	0.2
285.03906	1.5
303.04999	100.0
304.05106	1.0
317.10272	0.8
345.06119	0.5
551.31049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.85936	1.4
55.01869	1.4
55.05511	2.6
57.03434	8.5
61.02911	3.8
67.05496	5.3
69.03434	10.3
69.07086	1.5
71.04997	3.0
71.61394	2.0
73.02916	2.2
79.05479	1.4
80.05950	1.3
81.03416	5.1
81.07043	2.5
83.04956	1.4
85.02910	28.2
85.06518	2.2
87.04454	1.6
91.03954	2.2
91.05487	4.9
93.07047	5.0
94.85128	1.3
95.04959	2.4
95.08604	21.5
97.02888	12.1
98.97571	4.2
99.04492	2.9
105.07032	9.3
107.08578	9.8
109.02854	2.8
109.06522	2.9
109.10152	2.2
113.06018	2.7
117.07005	1.2
119.08565	6.8
121.05735	1.3
121.06489	6.1
121.10148	4.9
123.08076	13.2
123.11708	1.8
127.03880	6.3
131.08563	4.4
133.10110	12.4
133.80721	1.2
135.08054	4.7
135.11732	8.1
137.05994	4.5
137.09579	2.4
145.04912	5.9
145.10117	3.1
147.11670	5.8
149.09641	9.9
151.07536	2.0
151.11195	3.4
156.09340	1.9
161.13213	5.7
163.11203	14.1
165.12680	2.8
166.39253	1.4
167.07135	1.3
171.11636	2.4
173.13252	2.2
181.12276	6.0
181.39131	1.2
189.12724	14.9
191.14317	14.4
207.13809	100.0
214.26634	1.3
225.14923	3.6
249.02972	1.4
369.18979	8.9
447.72681	1.2
549.18762	2.1
549.26984	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	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.01891	2.4
55.05512	35.2
57.03447	9.0
57.07071	10.6
65.03945	1.7
67.05504	53.8
69.07065	35.0
71.05004	5.7
71.08640	4.7
71.14050	1.7
78.87004	1.5
79.05493	32.9
81.03418	44.2
81.03895	2.3
81.06576	3.2
81.07053	55.7
83.04994	8.8
83.08618	37.2
83.09105	2.2
85.02905	23.4
85.06556	3.3
85.10194	2.1
91.05479	30.6
93.07043	32.8
95.04968	18.1
95.08608	40.3
97.06569	4.7
97.10173	16.2
98.21497	3.8
99.08129	2.1
105.07025	17.8
107.05006	2.3
107.08595	17.0
109.06522	4.0
109.10143	22.2
111.04487	2.4
111.08120	6.4
111.11745	5.5
117.07111	1.8
119.08582	15.4
121.06507	2.2
121.10142	21.4
123.08099	2.4
123.10921	1.7
123.11753	7.4
125.09647	1.9
129.06998	8.7
131.08620	6.8
133.06561	1.9
133.10127	14.8
135.11696	9.5
137.13274	1.9
138.60248	1.6
142.07832	2.3
145.10080	2.8
147.08093	2.4
147.11664	12.9
149.09686	4.6
149.13312	5.1
151.11252	4.8
151.14864	1.8
157.10170	9.4
163.11191	2.2
165.12753	3.2
175.11162	11.7
177.16508	2.4
184.07402	2.5
189.90179	1.6
193.12236	41.2
211.13275	56.0
245.03134	1.5
253.14503	7.1
254.98495	1.5
261.22232	4.5
265.25250	9.0
267.16077	5.4
271.15378	2.8
303.44336	1.7
335.25763	2.1
339.29306	5.6
457.37000	3.2
531.41003	8.7
549.41803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01873	11.1
55.05508	15.3
56.85278	5.2
57.03442	24.3
58.96780	4.1
59.04970	5.6
61.02925	13.3
62.17090	4.7
67.05505	24.8
69.03426	39.0
69.07082	31.6
71.04987	19.2
73.02917	63.1
73.32806	4.4
79.05483	18.7
81.03412	6.5
81.07058	61.9
83.04970	13.0
83.08627	6.7
85.02908	100.0
85.06522	9.3
86.09695	5.5
87.04463	8.5
91.03957	4.8
91.05477	20.7
93.07041	46.1
95.04948	4.8
95.08607	64.4
97.02890	66.3
97.06562	8.1
97.10162	6.5
98.21471	16.2
98.97605	9.5
99.04442	6.8
105.07034	44.3
107.08597	59.4
109.02905	9.1
109.06572	5.8
109.10149	60.4
115.03929	30.8
119.08586	36.7
121.10142	44.5
123.11710	38.0
127.03934	29.7
133.04962	60.1
133.10152	38.0
135.11703	57.1
137.05960	6.8
137.13297	7.9
145.04977	34.8
145.10106	6.4
147.11682	52.6
149.13213	11.7
151.11185	27.2
157.38583	4.5
159.11687	9.8
161.13260	19.5
163.06024	14.7
163.14783	8.4
165.12743	11.4
169.12283	5.4
175.14870	9.3
179.05516	14.8
179.10632	6.1
184.07281	9.4
189.16258	5.2
201.16318	13.4
203.17935	60.6
205.19522	9.8
215.12865	5.7
219.17372	7.7
221.19002	19.9
229.46295	5.9
230.37775	4.5
239.20067	13.6
241.06834	4.7
245.05061	7.9
259.08136	14.4
295.10178	11.5
317.24829	13.9
335.22418	7.2
335.25858	50.0
353.26962	12.9
391.10696	6.3
550.23224	40.6
550.30396	7.1
551.23938	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	549.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03424	0.8
65.03925	1.0
66.04699	0.4
67.05473	0.6
69.03431	2.7
69.07061	0.6
69.29085	2.9
71.04987	0.5
73.02895	0.9
78.04708	0.4
79.05492	0.8
81.03414	1.2
81.07050	0.9
82.04173	0.5
85.02905	4.0
87.04462	0.5
91.05462	1.1
93.07023	0.4
94.04192	1.9
95.04955	0.4
95.08608	0.4
97.02882	1.5
97.06520	0.4
98.97585	0.6
103.05486	0.4
105.07030	1.1
107.04946	1.2
109.02861	0.5
109.10156	0.4
111.04453	0.4
115.05450	1.5
116.98565	0.4
117.07037	2.0
119.08590	0.5
122.03651	7.2
123.04407	0.5
125.05988	0.7
127.03906	1.0
131.04892	0.8
135.11658	0.5
137.05975	100.0
142.02629	0.5
143.04900	3.1
145.06464	2.5
147.08093	0.4
149.05946	0.7
151.03899	2.3
153.05466	1.0
155.06033	0.8
161.06018	0.6
163.03925	0.6
167.07043	9.4
167.08408	0.7
173.05978	3.3
175.07542	1.4
181.04955	15.6
201.28827	0.4
203.07007	1.3
205.08594	2.5
221.08064	0.5
233.08025	0.9
235.09668	2.6
251.09137	0.9
280.10696	0.5
289.10989	0.4
357.13306	13.4
387.14444	8.4
403.13742	0.5
549.19659	40.0
559.20911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01866	0.5
55.05499	0.2
56.61812	0.2
57.03441	0.2
65.03924	0.8
66.04727	0.3
67.05498	0.7
67.36349	0.2
69.03428	2.5
71.04980	0.2
71.60599	0.3
73.02912	0.5
79.05494	0.8
81.03412	0.8
81.07047	0.5
83.04987	0.5
85.02417	0.3
85.02910	3.9
87.04468	0.4
91.05482	0.8
94.04192	2.4
95.04974	0.4
97.02885	1.5
97.06549	0.4
98.97586	0.4
103.05450	0.2
105.07011	0.3
107.04973	0.7
107.08544	0.3
109.02893	0.5
109.06575	0.3
110.03663	0.5
115.05468	1.4
117.07027	1.6
119.05049	0.2
121.06620	0.2
122.03650	6.3
123.04481	0.5
123.08060	0.3
125.05970	0.4
127.03935	0.9
127.05444	0.2
131.04913	0.3
137.05981	100.0
138.06352	0.7
143.04942	3.2
145.05019	0.6
145.06497	2.3
147.08070	0.5
151.03929	2.2
151.07518	0.3
153.05447	0.4
153.09087	0.3
155.06020	0.7
161.06006	0.4
167.07045	8.5
171.04453	0.2
171.06598	0.6
173.05992	3.6
173.07327	0.4
175.07596	1.0
176.03380	0.5
181.04964	13.8
189.05432	0.4
189.12773	0.8
192.06667	0.2
203.06993	1.1
205.08601	2.4
215.43600	0.2
221.08084	0.4
224.68976	0.2
231.01694	0.2
233.08044	1.0
235.09641	3.3
249.02881	0.4
256.32266	0.2
280.10776	0.5
325.10635	0.4
339.12225	0.3
357.13336	14.7
363.08670	0.2
387.14392	7.5
519.18542	0.9
549.19696	41.4
550.19562	0.4
570.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.03421	6.6
61.02920	5.7
65.71609	1.3
67.05487	4.1
69.03430	18.7
69.07072	3.4
70.82536	4.0
73.02550	2.1
73.02917	30.4
79.05496	3.8
81.03407	1.9
81.07050	5.9
83.08613	1.6
85.02901	30.3
85.06514	2.1
87.12464	1.6
91.05470	4.1
93.07059	10.5
95.08609	9.4
97.02885	24.9
99.04462	1.8
103.03941	2.0
105.07026	10.7
107.08584	20.5
109.02884	2.6
109.10153	6.3
115.03919	11.5
117.07005	3.6
119.08588	9.5
121.10156	11.3
123.11693	1.8
127.03912	9.0
131.08551	10.9
133.04961	15.0
133.10120	3.6
135.11649	4.4
137.09677	1.6
145.04932	9.8
145.10115	21.7
147.11705	10.7
149.09637	6.6
157.10188	2.3
159.11696	27.4
161.13219	10.0
163.06049	4.5
163.11174	2.7
173.13284	3.3
175.14822	2.1
177.16373	2.2
187.55872	1.4
191.17987	2.2
201.16382	48.4
219.17433	100.0
223.06018	1.9
237.18443	5.7
241.06967	3.0
259.08072	3.1
295.10220	2.1
297.18491	2.4
570.21436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.7
55.74876	1.9
57.03424	7.9
59.04976	2.4
61.02938	1.9
63.88844	1.9
67.05506	10.7
69.03435	34.1
69.07056	8.1
70.85023	4.9
71.04971	2.2
75.32840	2.0
79.05496	10.4
81.07059	30.7
83.04958	2.3
83.08632	2.9
85.02911	23.9
85.06499	2.1
87.04474	18.7
87.84433	2.2
91.05481	11.0
93.07042	22.3
95.04952	2.4
95.08605	30.5
97.02895	33.2
97.06502	4.3
105.07027	44.5
107.08596	33.5
109.06528	5.3
109.10149	23.7
111.08081	4.1
115.03913	31.3
117.07005	6.8
119.08582	31.0
121.06503	2.3
121.10141	23.5
123.08074	4.3
123.11757	2.5
125.09589	3.0
127.03902	3.0
129.06940	2.3
130.07797	3.1
131.08578	18.4
133.04980	28.6
133.10127	16.3
135.08099	2.7
135.11652	10.8
143.08495	2.9
144.09329	4.1
145.04942	4.7
145.10121	49.9
146.10895	3.4
147.11694	26.8
149.09566	3.8
149.13249	11.3
157.10060	3.2
159.11690	51.8
161.13275	23.8
163.11134	4.8
163.14787	2.7
170.11098	2.0
173.13246	11.9
175.14806	7.3
177.12715	3.2
187.14803	6.6
189.16399	18.2
191.17924	10.2
199.14790	2.6
201.16380	100.0
207.17513	2.1
217.15930	2.6
219.17441	77.1
237.18492	87.7
290.39728	2.0
333.20428	2.5
364.37079	2.1
401.93405	2.2
405.73590	2.1
548.35284	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	548.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88126	1.0
50.96917	1.1
53.22154	1.0
55.01865	2.4
55.05511	2.1
57.03440	6.5
59.05004	1.2
61.02919	4.0
67.05492	2.8
69.03432	21.9
69.07071	3.3
70.19385	2.1
70.19769	2.5
71.04986	1.2
73.02917	14.8
77.04012	1.1
79.05469	2.8
81.03369	1.1
81.07072	5.4
81.34743	1.0
83.04977	1.7
83.08659	1.2
85.02907	26.2
85.03419	1.4
85.06561	5.6
87.04460	9.6
91.05487	4.2
93.07045	8.1
95.08612	13.4
96.98489	1.2
97.02895	26.8
97.06517	1.3
99.04441	1.9
99.99538	1.0
105.07035	8.4
107.08598	12.5
109.02923	2.9
109.06488	2.9
109.10141	5.2
109.56693	1.0
111.08088	1.6
115.03936	18.1
117.07008	2.4
119.08574	9.6
121.06523	1.3
121.10143	6.9
123.08072	4.7
123.11652	1.4
125.09642	3.4
127.03921	7.0
131.08563	8.4
133.04964	15.6
133.10118	8.0
135.11685	3.6
137.09566	1.1
145.04976	9.8
145.10146	18.9
147.11703	3.6
149.09610	4.4
151.11162	1.2
157.10088	1.4
159.11708	19.6
161.13245	7.1
163.06056	3.0
163.11195	3.0
173.13272	3.8
175.14836	6.0
177.12767	3.0
177.16385	3.9
187.14757	1.4
191.18001	2.1
198.94249	1.1
201.16386	61.7
203.18080	1.1
219.17442	100.0
220.17827	1.7
237.18488	48.8
241.07057	2.2
259.08136	2.6
548.31158	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	548.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11716	1.6
52.04996	1.7
55.01868	3.3
55.05499	5.3
57.03430	6.9
59.16863	1.7
61.02918	6.3
67.05505	8.6
69.03426	19.6
69.07076	13.5
70.93842	3.1
70.94180	2.5
71.01355	2.3
73.02917	21.8
73.37393	1.7
79.05493	6.2
81.07069	9.6
83.04952	1.9
83.08607	1.9
84.70751	1.7
85.02415	3.2
85.02905	42.9
85.06535	4.5
85.39840	1.9
87.04460	2.4
91.03972	2.1
91.05481	8.0
93.07051	15.9
95.04988	3.0
95.08599	22.9
97.02893	30.0
97.06520	6.9
97.10189	2.3
105.07024	15.3
107.04954	3.4
107.08595	32.4
107.43336	1.7
108.05298	2.0
109.02900	5.2
109.06499	2.8
109.10163	13.7
115.03925	14.1
117.07021	5.3
119.08604	17.8
121.06435	2.4
121.10154	25.3
123.08071	2.1
123.11726	2.5
127.03927	13.0
130.07785	2.2
131.08585	14.6
133.04926	11.9
133.10110	7.7
135.11705	12.6
137.06058	2.7
145.04936	13.2
145.10126	31.8
145.48367	1.8
147.11687	8.0
149.09645	5.2
149.13271	2.2
157.10054	2.1
159.11702	33.8
161.13268	8.0
163.06036	4.9
163.11159	7.7
167.06946	2.1
173.13275	5.0
175.14813	3.7
177.05641	2.4
177.12761	2.1
177.16403	4.5
191.17963	17.6
201.16382	68.0
219.17445	100.0
223.06039	2.0
237.18439	4.0
241.06927	2.7
254.18341	2.2
259.08173	4.2
266.47501	1.7
300.09360	2.5
330.29559	2.0
456.40424	1.9
548.34882	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	547.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54349	0.3
55.01856	0.4
57.03428	0.5
67.05495	1.2
69.03413	1.0
69.07062	0.6
71.62257	0.5
73.02903	0.6
78.07003	0.3
79.05496	0.7
81.03426	0.4
81.07049	1.5
85.02896	0.9
85.06508	0.3
91.05483	0.6
93.07027	1.5
95.04995	0.7
95.08591	0.9
97.02895	0.5
97.06522	0.6
98.97585	0.5
105.07045	1.0
107.08601	0.8
107.53147	0.3
109.10178	0.8
111.04434	0.4
117.28369	0.4
119.08589	1.1
121.10126	0.6
123.11707	0.5
125.09614	0.6
127.03919	0.4
131.08578	0.4
133.10138	0.8
142.69299	0.3
145.10129	0.4
147.11697	0.4
163.11148	0.4
165.05408	0.6
167.07040	0.9
174.70509	0.4
177.00609	0.3
177.12755	0.4
203.05191	0.6
204.07605	0.4
205.08626	0.4
205.12297	0.4
223.13271	0.8
235.16910	0.4
237.02850	0.5
240.99825	0.3
253.18008	0.5
270.66605	0.3
294.12204	0.6
311.12515	0.5
335.86951	0.4
355.15607	0.5
367.28232	1.8
385.29221	0.4
435.59875	0.3
475.30566	0.5
529.33264	0.7
547.22070	7.3
547.34509	100.0
548.21960	0.4
548.34930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01868	8.0
55.05514	43.0
57.03439	15.1
57.07074	10.4
64.44123	1.9
65.03938	4.3
67.05506	84.4
69.03429	4.2
69.07069	40.4
69.35330	4.9
69.35733	18.1
71.05003	5.5
71.08624	4.1
72.04518	35.3
73.04873	2.7
74.09727	2.3
79.05489	47.1
81.03419	50.8
81.07057	90.7
83.04980	6.8
83.08621	37.8
85.06573	4.2
91.05481	44.7
93.07047	41.1
95.04976	34.6
95.05556	3.6
95.08602	64.5
97.02945	2.2
97.06512	11.6
97.10182	29.6
99.08080	2.4
103.05430	2.7
105.07040	31.5
106.85081	1.9
107.04967	15.1
107.08592	28.2
109.06535	7.0
109.10155	31.0
111.04400	2.2
111.08087	10.7
111.11723	3.2
117.07045	10.5
119.04956	4.8
119.08585	29.7
120.08167	2.1
121.06528	9.7
121.10144	25.3
123.08083	6.2
123.11688	10.5
125.09615	11.9
126.68128	2.2
129.06990	9.5
131.08588	19.6
133.06447	2.5
133.10136	18.8
135.08069	3.7
135.11679	12.1
137.09627	5.6
137.13272	4.1
142.07884	2.3
143.08578	5.8
145.10115	12.8
147.08066	5.2
147.11703	15.6
149.09671	5.6
149.13199	4.7
155.10722	2.5
157.10126	10.6
159.11771	4.4
161.09689	2.8
161.13281	8.3
163.11183	7.0
163.14854	4.0
165.12862	2.9
171.11707	6.0
173.13260	2.8
175.11215	10.6
175.14828	4.6
177.12778	6.1
177.16382	2.7
185.67789	1.9
187.14786	2.7
189.11279	6.6
189.16344	2.9
193.12257	23.2
197.13300	2.2
199.14729	2.9
201.16400	2.0
211.13307	3.8
220.13438	3.8
227.10858	3.9
227.12740	10.6
234.14914	4.6
245.22710	6.2
249.14885	2.8
263.23782	8.0
267.15878	51.3
275.20078	3.9
285.13177	2.7
287.23816	4.4
289.21646	5.8
299.18845	2.2
301.25369	3.1
303.23550	4.1
303.26752	19.2
305.24896	2.4
328.19366	2.9
337.27362	47.1
341.19510	3.5
343.22647	2.4
343.26373	2.5
361.27554	2.4
385.25729	2.1
396.25284	4.1
397.25729	6.8
419.33121	2.7
437.34305	9.0
455.35110	20.5
473.36221	12.6
511.37238	3.7
529.38928	86.9
547.39996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.91975	1.9
55.01869	7.3
55.05511	44.4
57.03437	8.1
57.07089	4.8
65.03941	5.0
67.05506	79.1
69.03437	7.0
69.07069	20.8
69.64631	12.8
71.04988	5.9
71.08619	2.2
77.21769	2.1
79.05489	47.9
80.06661	2.1
81.03424	25.6
81.06572	3.6
81.07059	73.8
83.04983	8.7
83.08616	22.0
85.02916	3.5
85.06548	2.8
91.05478	48.4
93.07048	50.0
95.04965	24.3
95.08608	43.0
97.06522	10.3
97.10177	21.0
98.21462	4.0
105.07027	39.1
105.07660	3.0
107.04954	6.6
107.08597	41.0
109.06506	7.8
109.10152	29.3
109.10837	3.5
111.08076	4.9
115.05479	3.1
117.07005	14.5
119.08583	30.6
121.06561	10.9
121.10136	31.3
123.08074	6.7
123.11715	9.3
125.09631	19.8
128.06258	2.4
129.07016	9.1
131.08566	28.5
133.06480	4.7
133.10126	22.1
135.08081	8.5
135.11696	16.1
137.09636	7.1
139.11153	3.1
141.07019	3.3
143.08543	13.3
145.06445	2.4
145.10120	21.2
147.08093	4.7
147.11678	17.7
149.09628	5.3
149.13297	7.6
155.08559	5.3
157.10107	16.6
157.63391	2.5
159.08070	2.5
159.11667	15.5
161.09747	2.0
161.13275	8.7
163.11211	4.3
163.14874	5.6
165.12862	2.6
169.10265	2.6
171.11694	9.7
173.09682	3.0
173.11836	3.7
173.13312	13.5
175.11240	6.4
175.14914	6.5
177.12747	2.9
177.16365	2.6
181.10162	2.8
183.11703	5.6
185.13318	6.8
187.11247	2.7
187.14905	5.5
189.11247	11.1
189.16501	3.3
193.12166	10.7
195.11804	2.5
197.13336	4.5
199.14848	5.0
201.16443	3.7
205.25896	2.4
215.17848	2.4
225.14711	2.1
227.12680	15.3
233.15186	3.5
243.21216	2.9
261.19501	2.4
261.22131	15.3
267.15936	25.9
273.18387	2.8
281.42545	2.4
285.22153	3.7
301.25156	17.4
303.23273	2.6
317.24866	5.3
327.23331	2.5
335.25912	15.5
373.27362	2.3
421.25925	4.0
435.32693	11.2
453.33722	14.7
471.34692	13.0
471.40814	2.5
510.62976	2.2
527.31158	1.3
527.37372	58.3
545.31726	3.9
545.38495	100.0
546.38617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
54.27718	3.6
55.01881	23.6
55.05504	33.6
57.03435	32.7
65.03925	6.4
67.05499	62.5
69.03429	18.1
69.07059	18.0
71.04984	10.1
71.61420	5.9
73.02929	19.4
76.26764	3.5
79.05486	50.8
81.03413	96.6
81.07050	44.6
82.04202	6.3
83.04977	28.9
83.08607	32.6
85.02901	37.4
91.05474	60.4
93.07047	41.2
95.04973	52.2
95.08599	28.3
96.04771	3.3
97.02882	25.6
97.06506	15.5
97.10155	25.2
98.07300	7.1
105.07024	35.5
107.04934	17.4
107.08584	23.6
109.06555	11.3
109.10143	13.4
110.48273	3.5
111.08064	15.8
112.74286	3.9
115.03914	6.5
116.04694	11.7
117.07001	6.3
119.08574	35.6
121.06479	4.7
121.10139	15.4
123.08038	11.1
123.11693	5.7
124.24374	3.6
125.09617	18.9
127.03918	4.5
129.05504	37.2
129.07002	17.2
131.08565	19.7
133.05019	5.6
133.06519	6.4
133.10115	34.1
134.71425	3.8
135.08011	5.1
135.11673	12.5
137.09604	8.6
143.07005	6.4
143.61926	3.9
145.10179	9.9
147.11685	27.3
149.09532	4.7
157.08592	20.6
157.09917	21.6
161.70659	3.9
163.11150	5.9
165.12715	7.1
171.10040	4.9
175.11140	21.9
189.11235	9.4
189.16322	13.0
193.12233	76.7
197.88428	4.3
199.13242	10.3
203.67708	4.6
209.11717	5.4
211.13277	85.1
217.15794	8.9
224.18596	3.5
227.12720	12.0
235.16920	11.0
237.74429	3.6
267.15903	29.0
283.15378	9.1
285.16965	75.2
301.16464	100.0
405.29990	16.7
449.29507	4.5
476.27750	5.5
493.27686	13.5
494.29294	5.7
511.29089	43.6
543.86975	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75932	1.6
53.03943	6.1
55.01871	6.1
55.05514	33.8
57.03446	9.3
57.07075	2.3
58.08097	1.9
65.03947	2.1
67.05506	64.8
69.03429	3.8
69.07069	20.0
69.07416	2.8
71.04991	4.6
71.10788	2.5
71.11125	3.7
76.85587	1.6
79.05493	45.5
81.03421	24.9
81.07062	63.4
83.04988	6.3
83.08623	19.2
85.02903	2.0
85.06550	4.2
91.05479	39.3
93.07047	40.3
95.04960	21.7
95.08607	40.9
97.06555	5.8
97.10168	24.4
99.08095	2.2
105.07029	31.6
107.04971	7.9
107.08598	29.5
109.06531	5.8
109.10158	27.6
111.08060	8.6
117.07024	15.3
119.08589	31.7
119.09433	2.0
121.06507	6.7
121.10143	18.8
123.08080	6.7
123.11704	10.9
125.09618	17.7
128.06189	1.9
129.07039	8.2
130.07800	2.4
131.08571	26.4
133.06522	2.4
133.10139	18.7
135.08075	5.4
135.11699	11.1
137.09607	3.1
137.13286	2.8
141.73540	1.7
142.07813	3.6
143.08549	9.9
145.06497	2.0
145.10123	18.2
147.08049	5.0
147.11684	16.0
147.37578	2.2
149.09669	5.4
149.13309	6.1
155.08643	4.4
155.10741	2.0
157.10170	8.7
159.08069	2.5
159.11685	14.8
161.09598	3.9
161.13297	8.0
163.11206	5.9
167.08629	2.0
169.10175	6.7
171.11697	6.0
173.09595	2.0
173.13258	9.9
175.11209	3.4
175.14845	2.8
177.12836	2.1
177.16386	3.5
185.13300	5.9
187.13342	2.2
187.14845	6.7
189.11261	12.0
189.12775	2.6
189.16463	2.2
193.12222	12.7
195.11685	2.5
197.13358	3.0
199.14822	2.3
201.16356	2.7
209.13181	2.0
211.13335	5.2
227.12761	13.4
229.07288	1.8
243.15887	2.8
247.16988	5.1
261.18619	2.1
261.22159	16.4
267.15927	23.3
268.31537	2.0
279.23203	3.5
285.22028	3.7
299.23682	2.3
301.25235	21.0
303.23276	3.6
335.25812	17.0
359.25961	3.4
386.98721	2.1
403.24887	2.6
421.26096	3.6
421.56909	1.9
435.27255	2.9
435.32498	9.0
453.33630	15.1
471.34702	10.2
527.37366	59.9
540.68518	2.0
545.38397	100.0
546.38977	4.2
557.20532	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01867	4.8
55.05508	32.0
57.03437	9.3
57.07064	2.5
61.48142	1.9
65.03938	2.6
67.05502	70.6
69.07078	17.6
69.52949	4.7
69.53367	7.7
71.04993	4.4
79.05492	39.0
79.05943	2.7
80.30342	2.3
81.03417	23.8
81.07053	55.8
83.04987	6.4
83.08614	23.8
85.06529	3.4
91.05485	32.6
93.07034	41.4
95.04973	18.3
95.08607	34.1
97.06547	5.3
97.10171	22.0
105.04519	2.8
105.07027	34.3
107.04956	6.5
107.08600	28.4
108.22485	1.9
109.06519	6.5
109.10159	25.4
111.08102	5.6
114.34621	1.8
115.05510	2.1
117.07010	16.5
119.08569	25.3
121.06524	7.8
121.10133	15.4
123.08084	5.7
123.11713	5.8
125.09608	15.1
128.06186	2.2
129.06978	11.9
131.08559	25.2
133.06465	3.2
133.10133	19.2
135.08090	5.4
135.11702	10.9
137.09575	2.0
143.08574	8.8
145.10118	16.5
147.08081	2.7
147.11685	16.2
149.09602	4.8
149.13266	5.6
151.11305	2.2
155.08568	3.6
157.10083	11.1
159.11668	15.7
161.13301	9.8
169.10130	6.5
171.10365	1.8
171.11732	7.0
173.13232	9.6
175.11272	4.9
175.14891	5.0
183.11719	3.6
185.13255	6.5
187.14871	5.3
189.11224	8.7
189.12750	2.2
189.16364	3.8
193.12245	8.3
197.13344	2.8
199.14871	3.7
201.16483	2.2
205.15797	2.0
211.13200	3.5
227.12750	15.7
242.51181	1.8
247.16989	2.9
250.89963	1.8
259.20395	2.0
261.22141	8.9
267.15909	23.0
279.19806	1.7
285.22083	3.7
287.20139	3.7
292.13568	1.7
299.23782	2.7
301.21912	2.1
301.25220	18.7
303.23407	3.5
317.24817	2.5
327.23389	1.7
335.25891	15.0
341.24896	2.0
351.00992	1.7
357.28162	2.9
359.25986	3.5
379.12875	1.7
421.25986	4.6
435.32483	9.1
453.33569	14.6
471.34839	15.1
509.35956	3.8
527.37341	65.3
528.37354	2.2
545.38379	100.0
546.38666	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03939	8.1
55.01862	2.5
55.05255	1.7
55.05513	27.7
57.03447	6.8
57.07066	3.1
65.03933	3.9
66.04727	1.2
67.05508	58.9
69.03424	3.3
69.06708	1.2
69.07073	15.5
69.51780	8.0
71.04993	5.9
71.45173	0.9
77.03928	1.3
79.05496	58.3
81.03419	41.8
81.07057	55.5
83.04975	10.4
83.08622	19.6
85.02905	20.3
85.06534	3.0
91.05485	48.2
93.07048	57.8
95.04971	23.8
95.08038	2.2
95.08612	33.6
97.02876	1.9
97.06519	4.8
97.08044	1.1
97.10164	7.8
99.04491	1.3
99.08059	1.6
105.04538	1.5
105.06366	2.3
105.07034	32.6
107.04929	5.6
107.08598	28.0
109.06506	5.7
109.10149	14.4
111.04456	1.2
111.08085	9.8
113.06017	2.8
115.05434	1.9
117.07011	9.3
119.08587	25.7
119.09421	1.6
121.06538	1.4
121.10153	23.8
123.08067	4.0
123.11697	5.8
125.09628	4.2
129.06999	11.0
131.08577	18.4
133.06511	2.9
133.10120	14.8
135.11693	10.8
137.09637	2.0
141.06984	1.1
142.07800	2.4
142.23764	1.0
143.08607	2.5
145.10118	9.1
147.08049	2.1
147.11688	17.2
149.09630	2.6
149.13274	4.1
151.11288	1.2
155.08492	1.7
157.10124	11.9
159.11681	7.7
161.13242	4.7
163.11400	1.3
163.14859	2.2
165.12720	2.2
167.08546	1.4
168.60283	1.4
169.10164	1.5
171.11720	2.6
173.13289	6.5
175.11211	10.0
175.14847	3.7
183.11732	2.1
185.13322	3.0
187.14844	3.1
189.11295	2.0
193.12248	43.8
197.13293	1.4
199.14748	1.2
211.13303	45.0
227.12695	1.9
229.14424	1.4
231.17154	1.1
243.21094	1.3
247.24286	1.1
261.22064	5.8
267.15952	6.4
285.22144	1.4
301.22290	1.2
301.25125	5.7
303.23102	1.3
335.25854	6.8
435.32593	3.5
453.33817	4.6
459.87259	1.2
471.35120	1.4
503.75873	1.3
527.37408	15.6
545.38367	100.0
546.38660	2.0
569.50342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03939	6.0
55.01858	4.5
55.05257	2.4
55.05511	29.4
56.13011	1.6
56.93429	1.5
57.03437	9.4
57.07070	3.0
65.03933	4.1
67.05505	62.6
69.03418	5.0
69.07063	15.6
69.64493	10.5
69.97950	1.6
71.04991	6.2
74.47328	1.4
79.05492	61.4
81.03419	47.6
81.07062	60.7
83.04993	9.1
83.08624	27.2
85.02908	24.1
85.06564	2.5
91.05486	49.1
93.07049	58.0
95.04963	26.3
95.08604	35.8
97.02889	2.6
97.06544	7.5
97.10175	6.9
98.20776	3.2
99.08090	2.4
105.07030	34.5
107.04973	4.6
107.08585	29.1
109.06534	3.0
109.10162	16.3
111.04383	2.0
111.08086	11.3
117.06999	10.8
119.08580	29.7
121.10152	27.9
123.08090	3.9
123.11709	5.4
125.09650	5.6
129.07045	9.1
131.08559	20.5
133.06483	3.0
133.10136	21.4
133.51262	1.6
135.08051	2.1
135.11702	14.4
137.09584	2.1
142.07848	2.3
143.08577	5.5
145.10121	13.5
147.08070	2.4
147.11685	15.8
149.09642	4.4
149.13226	7.2
155.08554	3.3
157.10156	13.0
159.11691	7.3
161.13269	5.6
165.12775	3.8
169.10149	3.1
171.11668	3.7
173.13301	7.0
175.11227	10.2
175.14903	5.2
185.13290	2.9
187.11179	1.7
187.14877	2.7
189.11278	2.7
193.12238	47.8
197.13297	2.3
199.14793	1.6
201.16318	1.7
211.13298	52.3
211.15195	3.3
223.36475	1.7
227.12752	4.1
261.22165	6.3
267.15979	8.1
273.73013	1.7
285.17453	1.8
285.22427	2.6
301.22049	1.7
301.25381	5.4
303.22827	1.8
335.25919	5.7
389.86581	1.5
417.31744	1.8
435.32593	6.6
438.09250	1.6
453.33606	6.6
471.34967	4.3
509.35944	2.8
527.37323	24.4
545.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01864	5.7
55.05509	33.9
57.03428	11.4
65.03932	3.7
67.05503	70.6
69.03424	4.0
69.07064	16.2
70.10472	5.8
71.04985	9.6
71.78516	1.5
77.03918	1.9
79.05492	59.7
81.03417	47.6
81.07057	66.1
83.04986	13.0
83.08617	26.1
85.02903	19.3
85.06528	2.2
91.05479	50.5
93.07043	58.7
95.04977	20.8
95.08604	40.5
97.02874	2.1
97.06538	7.5
97.10179	12.7
105.04542	2.3
105.07030	37.2
107.04972	7.2
107.07873	1.7
107.08590	34.3
109.06496	3.9
109.10149	18.9
111.04453	2.8
111.08079	7.1
115.00401	1.8
117.07034	11.3
119.08584	31.4
121.06522	4.8
121.10140	25.7
123.08086	2.3
123.11691	6.6
125.09661	6.2
128.06235	3.2
129.07010	11.8
131.08559	21.8
133.06413	1.7
133.10126	18.9
135.11705	15.4
137.09637	3.7
142.07808	3.2
143.08553	4.7
145.10100	12.7
147.08035	3.9
147.11679	17.1
149.09612	6.5
149.13243	4.5
157.10121	13.4
159.11728	10.1
161.13254	6.1
165.12827	3.2
169.10118	2.7
171.11732	3.7
173.13248	8.0
175.11174	13.3
175.14828	3.5
177.12880	1.8
183.11717	3.5
185.13292	3.0
187.14929	3.1
189.11232	3.8
193.12236	46.0
195.11674	2.1
197.13319	2.2
199.14780	2.0
211.13289	44.5
211.14937	2.2
218.66858	1.8
227.12834	3.8
243.21143	1.9
246.01953	1.7
248.02565	1.8
259.20786	1.8
261.22183	9.1
267.15836	10.3
279.01608	1.7
285.17429	1.8
285.22141	2.7
289.18124	1.7
301.25204	12.0
317.24713	2.1
317.81546	1.7
335.25961	7.0
417.31595	1.7
435.32358	7.8
453.33603	8.3
471.34698	3.9
509.36115	2.9
527.37244	33.2
545.38385	100.0
546.38684	2.9
562.56628	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30568	0.3
69.75339	0.6
69.75748	1.0
86.09716	1.2
93.99247	0.3
98.21465	0.5
161.06093	0.4
215.67400	0.3
270.91891	0.3
275.07486	0.4
293.16089	0.7
311.17218	0.4
335.09451	1.2
413.21225	2.7
545.25720	100.0
546.25909	1.9
563.64600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31508	1.2
51.06452	1.2
53.03954	7.0
55.01862	5.1
55.05512	34.3
57.03439	9.0
57.07074	2.3
59.05000	2.1
65.03938	5.2
67.05504	60.5
69.03428	4.1
69.07065	15.1
69.55949	8.9
71.04973	5.3
76.49539	1.4
79.05491	57.9
81.03417	45.6
81.04144	1.6
81.06571	2.7
81.07058	57.2
83.04996	8.1
83.08616	23.4
85.02908	19.6
85.06554	3.6
91.05481	47.7
93.07047	57.8
93.71051	1.3
95.04967	22.6
95.08602	36.3
97.02881	2.2
97.06525	6.2
97.10168	8.7
99.08078	1.9
103.05446	2.9
105.07026	31.5
107.04964	2.9
107.08591	30.6
109.06520	5.4
109.10162	17.3
111.04469	2.2
111.08115	8.6
117.07013	9.7
119.08580	31.5
121.06492	2.7
121.10132	27.9
123.08071	3.6
123.11700	5.0
125.09634	3.4
129.00014	1.3
129.07004	10.2
131.08574	18.4
132.13010	1.4
133.06453	2.4
133.10136	18.9
135.08037	2.3
135.11668	13.8
137.09637	2.3
140.07968	1.6
142.07816	3.3
144.09369	1.6
145.10101	10.3
147.08092	2.0
147.11670	15.7
149.09618	4.9
149.13260	4.3
155.08583	3.0
157.10124	12.8
159.11693	7.2
161.13258	4.4
163.14856	2.2
165.12758	2.7
169.10159	2.4
171.11742	2.4
173.13286	5.2
175.11174	10.6
175.51601	1.7
185.13286	3.3
187.14844	2.6
189.11269	2.1
193.12247	44.3
195.11842	1.9
197.13261	2.5
211.13286	47.0
211.15196	3.0
227.12817	4.3
243.21362	2.2
261.22098	5.3
267.15784	8.1
285.22049	1.5
301.25235	5.0
317.24741	2.0
335.25800	5.0
347.18704	1.5
434.67944	1.4
435.32535	4.7
453.33737	3.5
471.34796	3.7
493.39279	1.8
527.37384	18.1
545.38354	100.0
546.38507	2.1
550.67725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60686	0.5
62.33919	0.4
62.75365	0.4
67.05496	1.1
69.03426	1.0
70.09854	0.4
71.61111	0.5
79.05479	1.1
81.07033	2.7
85.06545	0.7
86.09731	0.8
91.05460	0.8
93.07032	1.7
95.08597	1.4
97.06502	0.5
105.07040	0.7
106.03649	0.5
106.26745	0.5
107.08594	1.6
109.10153	1.8
114.65913	0.4
116.98644	0.6
119.08591	0.7
121.06535	0.6
121.10165	1.3
123.08041	0.5
125.09612	0.9
133.10129	1.9
135.11661	1.0
137.05952	0.8
145.10146	0.7
149.09677	0.8
159.11734	0.5
165.05515	0.6
167.07024	0.9
177.05396	0.6
177.12526	0.5
198.10663	0.5
203.05447	0.5
249.03050	0.6
275.07361	0.9
317.08334	0.8
333.08014	1.1
335.09470	10.9
413.21545	3.2
479.78711	0.6
515.25146	0.7
527.24750	2.2
545.25757	100.0
546.25934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
67.05506	0.7
69.03421	0.7
71.05000	0.6
78.51368	0.5
80.01334	0.4
81.07052	1.5
86.11568	0.5
91.05463	0.7
91.71886	0.4
93.07050	1.3
95.08603	1.1
98.21545	1.4
98.97547	0.4
105.07030	0.9
107.08604	0.9
109.06495	0.5
109.10166	1.3
119.08595	1.0
121.10168	1.3
123.08111	0.7
125.09605	0.5
131.08600	0.5
135.11711	0.5
137.09540	0.5
138.55322	0.4
145.10115	0.7
147.11720	0.6
147.65399	0.5
161.09636	0.5
167.07011	0.4
203.05357	0.9
229.60689	0.6
233.15300	0.9
251.16391	0.9
251.57962	0.4
275.07367	1.3
333.08060	1.0
335.09479	11.6
395.19980	0.7
398.77954	0.5
413.21396	3.4
527.24725	2.8
545.25732	100.0
546.26111	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59283	0.2
53.25023	0.2
69.07076	0.4
70.09905	0.5
70.10324	0.7
80.82411	0.3
81.07059	0.3
84.08150	0.5
86.09704	3.7
87.10047	1.0
98.20811	0.3
121.10158	0.3
147.11307	0.4
166.49158	0.3
186.29532	0.2
209.10484	0.3
261.20099	0.3
268.62445	0.3
275.07492	0.8
285.16510	0.3
293.16028	0.5
311.17093	0.5
335.09421	1.5
365.11310	0.3
413.21191	2.5
545.25714	100.0
546.26062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1995
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
50.92715	0.3
58.02010	0.4
59.11328	0.4
61.24580	0.3
62.67079	0.3
67.05518	0.8
68.38033	0.4
69.03410	0.5
69.07076	0.7
71.20363	0.8
73.02911	0.5
78.91725	0.4
81.07065	0.9
85.02881	0.9
91.05467	0.4
93.07023	0.8
93.45020	0.4
95.04918	0.6
95.08607	1.1
97.19407	0.3
98.97562	0.4
105.07080	0.4
107.08581	0.5
109.10141	0.6
111.04411	0.4
119.08673	0.5
121.10146	0.7
123.11680	0.4
126.14391	0.4
132.86066	0.3
133.10144	0.5
137.06015	0.6
149.09500	0.4
151.07561	0.4
203.05280	1.6
232.33983	0.4
237.02748	0.4
336.41507	0.4
365.13791	0.4
365.26633	1.7
383.14725	0.5
545.19861	100.0
545.32336	17.0
546.20300	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	2.5
55.05254	1.1
55.05509	17.4
57.03428	4.4
57.07076	1.5
59.04997	0.9
64.83936	0.6
65.03928	0.9
67.05502	25.1
69.03419	1.6
69.07059	8.9
69.55378	1.1
69.55788	3.9
71.04980	2.4
71.08633	0.9
72.52032	0.7
79.05044	1.4
79.05489	21.6
81.03419	7.2
81.06567	1.1
81.07053	22.9
83.04983	3.0
83.08617	9.6
85.02908	1.2
85.06538	1.1
91.05478	18.9
93.07041	18.2
95.04965	5.7
95.08608	14.9
95.09209	0.9
97.06518	2.1
97.10172	8.7
99.08105	1.1
102.22562	0.7
103.05454	0.9
105.07024	18.9
105.42722	0.6
107.04926	3.4
107.08596	11.7
109.06512	2.4
109.10161	9.6
111.08085	2.2
113.05999	0.8
113.25943	0.6
114.67046	0.6
115.05501	1.0
115.28790	0.7
117.07016	12.3
119.08578	12.6
119.09348	1.2
121.06488	2.4
121.10136	7.6
123.08066	1.8
123.11719	1.9
125.09595	5.7
128.06223	2.6
129.07002	10.7
131.08563	15.7
133.06483	1.4
133.10132	10.6
135.08040	2.3
135.11726	3.6
137.09605	1.2
141.07016	3.9
142.07791	2.7
143.08534	11.5
145.06485	2.5
145.10117	13.0
147.08061	2.5
147.11711	6.8
149.09633	1.3
149.13290	1.2
151.11214	0.9
154.07797	0.9
155.08551	6.4
156.09334	1.0
157.06508	1.0
157.10138	11.3
159.08098	4.1
159.11696	8.0
161.09683	1.4
161.13258	2.4
163.11295	1.5
165.06993	0.9
167.08575	3.4
168.09364	0.9
169.10127	8.4
169.64186	0.7
171.08116	1.7
171.11684	9.4
173.09639	2.3
173.11835	1.5
173.13228	6.4
175.11234	1.7
175.14825	1.1
178.07727	0.9
179.08551	1.6
179.14378	1.3
181.10020	3.5
182.10863	1.2
183.11731	5.9
185.09634	1.2
185.13197	6.8
187.11223	2.6
187.14835	2.0
189.11246	3.1
189.12761	1.1
193.10284	1.4
193.12294	2.9
195.11702	4.6
197.13264	4.4
199.11168	1.4
199.14825	3.7
201.12820	2.2
201.16422	1.7
207.11705	1.7
209.13298	3.8
211.13216	1.2
211.14954	1.7
213.12834	1.3
213.16386	1.3
221.13354	1.6
223.14876	2.7
225.16367	1.6
227.12743	2.0
229.14253	0.8
237.16444	0.9
241.19527	1.6
259.20502	3.9
265.19745	1.0
267.15842	3.4
271.20816	1.0
277.21857	1.1
283.20645	2.2
297.18848	0.9
297.22153	2.1
299.20245	1.2
299.23651	5.0
301.21674	1.1
313.21564	1.3
315.23306	1.8
321.22266	0.9
325.21729	1.9
326.67392	0.7
333.24326	1.7
339.23297	1.4
341.24728	0.7
343.22589	1.2
353.24902	1.1
357.24237	1.4
371.26004	1.0
415.30090	2.5
423.32623	1.8
433.31055	7.7
451.32080	9.7
469.33224	5.7
471.32016	0.8
487.34457	1.2
489.33499	0.7
507.34711	2.2
515.37372	2.5
525.35742	22.4
543.36841	100.0
544.37012	2.0
545.65100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
67.05500	0.6
69.03424	0.8
69.07061	0.4
69.36239	2.3
79.05482	0.4
81.07047	1.1
83.04981	6.8
83.08612	1.8
85.02879	0.3
91.05486	0.4
93.07059	0.8
95.08615	0.6
97.06535	0.3
97.34946	0.3
98.21448	0.4
100.91265	0.3
107.08573	1.8
109.10147	1.8
111.08067	0.5
119.08643	0.3
121.10146	0.7
123.11720	1.2
125.09644	1.5
139.07376	0.3
149.13300	0.5
151.11180	2.2
167.14314	7.3
167.32996	0.3
167.88155	0.3
203.05295	0.4
209.11876	0.4
209.15370	3.7
231.13631	0.7
249.14645	0.8
253.37508	0.3
275.07394	1.5
291.15872	0.4
297.23102	0.3
333.08286	0.4
335.09467	6.6
411.19922	5.8
411.25372	0.4
479.77136	0.3
500.97794	0.3
543.24133	100.0
544.24609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	0.3
69.07063	0.5
69.96052	0.8
69.96461	0.5
71.04986	0.3
81.07076	0.5
85.02888	0.4
85.06574	0.4
87.69484	0.2
91.05512	0.3
93.07030	0.7
95.08597	0.5
97.02863	0.3
98.20744	0.5
105.07012	0.4
107.08593	0.8
109.10162	0.6
110.99648	0.3
111.04387	0.3
119.08553	0.5
121.10136	0.5
125.06101	0.3
125.09655	0.3
145.06485	0.3
150.90306	0.3
163.17088	0.3
189.89700	0.3
335.09589	1.1
411.19855	8.2
422.59003	0.3
543.24139	100.0
544.24402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.9
57.05821	0.4
58.06584	0.3
69.07067	8.4
70.73558	0.3
70.84408	0.9
74.63323	0.3
75.05606	2.0
76.32317	0.3
84.08148	15.1
86.06067	3.2
86.09706	100.0
87.10054	0.6
89.96455	0.3
90.12469	0.4
106.22503	0.3
114.05537	7.9
122.24180	0.3
128.98163	0.3
129.10242	7.2
130.08636	8.5
137.64783	0.3
143.11803	9.2
147.11285	9.6
153.06580	0.6
171.07664	2.6
173.03072	0.4
182.74783	0.3
234.92490	0.4
237.62767	0.4
238.15558	1.2
242.18634	1.3
246.22186	0.4
254.61798	0.3
256.16537	6.8
260.19714	9.7
284.16064	15.3
288.65555	0.4
314.54584	0.4
333.08499	0.3
335.09543	1.0
369.25046	0.4
397.24527	2.7
398.35977	0.4
430.30588	0.9
543.24286	14.5
543.35083	50.4
544.23260	0.4
544.35376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86646	1.1
55.05514	4.2
57.07076	33.4
67.05501	4.1
69.07078	3.0
71.08635	23.6
71.62413	1.8
73.06557	7.6
79.05489	4.0
81.07056	5.4
83.08622	4.8
85.10188	20.5
87.04476	5.6
87.08121	3.0
89.06033	100.0
91.05482	3.7
93.07069	3.1
95.08598	4.3
97.10147	6.3
99.11761	3.3
105.07029	2.5
107.07036	3.2
107.08642	2.0
109.10130	2.7
110.30932	1.4
113.13261	1.4
117.06987	2.3
117.09142	4.6
119.08580	3.1
121.10126	1.7
127.51939	1.3
130.08601	2.2
133.08615	52.6
133.10120	2.9
135.08113	1.3
135.11708	1.3
143.08534	1.6
147.11642	1.5
155.17949	4.0
161.11668	1.4
169.08629	1.5
177.11264	21.6
199.20576	5.0
221.13879	3.3
239.14871	1.5
243.23241	9.1
283.17377	1.5
286.21472	1.4
287.25830	4.3
327.20169	2.8
371.22757	5.6
469.33569	1.6
481.37604	1.9
525.40674	8.3
542.41687	2.7
543.36353	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10094	2.1
137.26709	0.5
251.36400	0.5
363.06924	2.3
381.07907	15.3
543.13232	100.0
544.13525	1.2
565.00287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84553	0.2
61.05030	0.2
68.38103	0.2
70.68707	0.5
70.69066	0.4
83.04995	0.4
93.07076	0.2
98.20797	0.3
112.94955	0.2
116.29816	0.2
155.01855	0.3
160.80466	0.2
173.02988	0.3
175.13806	0.2
202.15308	0.2
203.05264	0.4
207.82135	0.2
233.05095	0.4
237.02827	0.2
259.84814	0.2
274.80038	0.2
275.07098	0.9
317.08350	0.2
333.07971	1.3
335.09500	6.0
350.81717	0.2
411.19843	1.2
543.24133	100.0
544.24670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73532	0.6
51.02380	1.9
53.03947	7.8
55.01876	3.7
55.05511	27.4
57.03426	2.8
57.07077	11.3
58.06591	0.7
58.07405	0.7
58.30054	0.6
59.04989	0.7
62.67646	0.6
62.96746	0.7
65.03939	6.7
67.05502	78.6
67.47572	0.5
69.03426	2.2
69.07068	19.0
69.94540	2.4
70.06586	7.0
71.04993	3.4
71.06931	0.8
71.08627	4.6
71.08971	0.6
72.08943	1.0
73.02921	1.1
73.06549	1.9
74.09682	0.5
77.03922	1.4
79.05490	100.0
81.03414	6.9
81.07054	66.4
83.04979	11.7
83.08625	11.0
85.02870	0.7
85.06545	2.7
85.10193	2.1
87.04469	0.8
88.07629	7.9
91.04886	1.5
91.05479	69.6
93.07042	89.7
95.04967	20.2
95.08606	43.2
96.08942	0.7
97.02918	0.6
97.06516	5.2
97.10167	5.0
99.08075	1.7
102.09182	7.9
103.05466	2.3
104.91354	0.5
105.04495	3.6
105.07027	45.2
107.04957	5.7
107.08590	33.7
109.06519	5.6
109.10155	13.1
111.08080	2.9
115.05484	2.7
116.06189	0.6
117.07022	13.5
119.08578	29.0
121.06501	2.3
121.10143	21.6
123.08067	5.3
123.11718	2.8
125.09662	1.5
128.06194	3.1
129.07002	15.2
130.07796	1.2
131.08574	12.6
131.55359	0.6
133.10129	14.5
133.11067	1.1
135.08144	0.9
135.11703	10.8
137.09641	1.0
137.13248	0.8
141.06990	1.3
141.09085	0.7
142.07803	0.7
143.08566	10.4
145.10121	13.7
147.08066	2.1
147.11684	33.1
148.52937	0.6
149.09656	0.7
149.13263	5.3
155.08553	2.1
156.09373	1.0
157.10109	2.9
159.11710	5.6
161.09645	4.7
161.13242	14.3
163.11156	0.6
163.14816	1.7
167.08586	0.9
169.10144	2.1
171.11699	24.8
173.13255	4.2
175.14799	1.5
177.12793	0.9
179.14336	1.2
183.11705	1.7
185.13263	1.2
187.14861	1.6
189.12726	9.4
189.16386	0.7
195.11667	1.0
197.13316	1.3
199.14932	1.1
201.16325	0.9
207.13803	26.8
211.14941	0.7
215.17886	0.9
225.14955	1.9
243.21135	1.4
256.26337	13.2
257.26678	6.3
261.22104	4.1
274.27509	1.3
281.17572	1.8
283.26367	3.6
284.26672	2.8
284.29556	3.3
285.29904	3.0
311.29471	10.8
312.29706	8.0
317.24701	0.8
333.24561	0.8
335.25870	1.0
410.29031	0.6
449.34125	2.6
467.35071	1.5
485.36273	1.2
523.37988	2.3
540.53546	12.5
541.38959	78.7
541.53644	43.7
542.39679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	2.1
55.05503	5.0
57.03433	3.1
61.02915	3.4
61.16539	1.2
67.05486	4.5
69.03426	8.8
69.07059	10.6
70.46440	1.1
71.04976	4.4
71.05946	2.5
72.82639	1.4
73.02918	11.6
79.05490	4.1
79.84989	1.2
81.03398	1.9
81.07053	10.1
83.08617	3.7
84.81025	1.0
85.02907	17.7
85.06527	2.4
89.78008	1.1
91.05470	3.8
93.07036	8.6
95.05019	2.8
95.08607	17.8
97.02901	14.5
97.06540	8.7
98.97618	2.0
99.04451	5.2
99.08093	1.9
105.07065	6.9
107.08607	14.0
109.02887	2.6
109.06509	7.5
109.10149	17.0
111.08057	2.2
115.03945	5.7
115.07573	5.5
119.08588	16.1
121.10143	6.2
123.08073	4.4
123.11718	7.9
125.09612	1.5
127.03908	6.5
127.11186	2.1
133.04973	5.8
133.10135	27.8
135.11700	28.8
137.05974	3.3
137.09601	4.8
145.04935	6.5
147.11682	2.0
149.13271	9.5
153.12714	2.0
163.06068	2.5
175.14832	52.3
177.00705	1.5
177.16377	4.8
193.15889	59.6
211.16937	100.0
212.17439	1.9
223.05914	1.5
235.32574	1.5
237.02795	2.2
241.07117	2.3
259.08112	2.7
287.12592	1.6
291.71082	1.2
295.10141	1.8
306.81625	1.2
325.20166	2.6
373.22476	1.7
431.19620	1.6
457.49625	1.3
473.20782	1.5
519.07056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.8
55.05514	13.0
57.03436	3.3
57.07061	3.8
67.05504	25.4
69.03430	14.3
69.07068	34.5
69.63969	14.7
69.64377	5.3
70.38428	2.0
71.04989	7.7
73.57166	2.4
79.05494	11.2
81.03406	2.8
81.07053	60.2
83.04982	5.3
83.08633	12.7
85.02908	10.3
85.06542	34.9
91.05496	7.4
93.07039	43.6
95.04996	4.6
95.08604	52.5
97.02908	4.6
97.06535	10.6
97.10191	4.4
98.97585	6.1
99.08085	12.8
105.07036	20.1
107.08596	40.0
109.10152	52.8
111.08093	18.2
111.11761	3.9
119.08571	14.0
121.10148	28.7
123.08081	3.2
123.11729	31.7
125.09639	22.4
125.97395	2.5
127.11198	13.9
131.08495	3.3
133.10136	7.4
135.11667	22.1
137.05994	4.4
137.13257	9.1
139.11153	16.8
143.14432	3.0
145.04941	4.1
145.10187	2.6
147.11676	16.1
149.13278	11.7
151.11139	3.3
153.12718	14.0
159.11633	3.8
161.13255	5.7
163.14868	7.1
165.12729	20.9
169.12268	11.2
171.13808	60.7
173.13316	3.0
175.14922	2.7
177.16368	4.4
187.13286	2.9
189.16431	3.3
221.19116	2.6
236.28789	2.5
237.02750	3.8
239.20052	5.9
271.24341	4.6
277.25388	3.4
289.25119	14.8
295.26392	11.0
307.26328	31.7
313.27475	8.2
325.27249	13.2
343.28381	15.0
361.29568	11.4
409.18582	4.2
541.22375	100.0
541.30914	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	540.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35890	0.9
54.87038	1.0
55.01850	1.2
55.05504	2.8
57.03440	2.6
60.03223	0.8
61.02933	1.5
67.05502	2.5
69.03444	5.2
69.07066	6.4
71.04991	7.3
73.02920	7.2
74.09704	1.5
76.24291	1.2
79.05499	1.4
79.92043	1.0
81.03442	1.2
81.07063	4.7
83.08608	2.6
85.02913	12.2
85.06535	4.5
86.89124	0.9
91.05470	2.5
93.07042	7.5
95.04929	1.1
95.08620	8.5
97.02898	8.1
97.06529	4.3
97.65982	1.1
99.04453	2.8
99.08109	2.5
105.07038	2.8
107.08607	9.5
109.06508	2.4
109.10152	12.0
111.08064	1.9
115.03928	3.0
115.07558	4.2
119.08567	7.2
121.10155	5.0
123.08070	2.1
123.11723	3.9
127.03917	3.2
127.11172	1.5
128.07042	1.1
133.04984	3.1
133.10130	12.1
135.11702	24.6
137.09625	2.9
145.04990	3.6
146.22748	1.3
147.11659	1.3
149.13260	7.1
151.11197	1.2
151.14801	1.7
151.29829	1.1
153.12740	11.2
167.14352	1.1
175.14825	23.4
175.16264	2.1
177.16306	2.3
189.89523	1.1
193.15877	31.0
211.16928	100.0
253.32811	1.2
259.08096	1.8
262.76447	1.0
284.84573	1.2
325.20044	2.1
332.37869	1.1
355.21310	1.0
493.47885	1.1
503.17633	1.3
540.00214	1.1
541.21246	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	540.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01865	2.7
55.05512	4.2
56.96545	2.1
57.03436	5.1
59.05005	2.7
60.59283	1.4
61.02924	3.0
64.53941	1.7
67.05500	6.3
69.03433	14.6
69.07063	12.9
69.30627	14.7
69.31042	3.7
71.04984	12.5
73.02914	14.4
79.05499	4.2
81.03431	1.9
81.07071	8.3
83.08607	7.2
85.02904	28.9
85.06534	6.3
87.04469	2.1
91.05477	6.5
93.07053	11.0
95.04961	4.7
95.08105	2.2
95.08617	20.7
97.02886	18.2
97.06510	6.4
98.97578	3.4
99.04451	30.2
99.08086	2.4
105.07036	5.4
107.05013	1.7
107.08604	13.3
109.02893	3.7
109.06518	4.0
109.10155	29.7
110.10469	2.0
110.31685	1.8
111.11717	3.7
113.09574	1.8
115.03910	6.5
115.07550	5.0
119.04952	5.1
119.08603	12.3
121.06496	2.4
121.10139	11.5
123.08060	1.9
123.11711	6.6
125.09639	4.4
127.03906	7.2
127.11200	5.4
129.06972	2.7
129.09036	1.6
131.00153	1.8
131.04942	1.9
133.04950	8.0
133.10147	15.1
134.18674	1.7
135.11691	26.9
136.05205	2.2
137.05975	20.4
137.09669	4.2
139.11171	1.8
141.09108	1.7
145.04970	11.5
149.13225	3.9
151.07544	26.7
151.14844	2.2
153.12698	2.9
157.06511	3.5
161.05989	3.5
161.09671	2.4
163.06071	3.7
163.07552	5.0
165.09111	2.2
165.16380	2.9
167.08572	2.6
170.56767	1.8
175.07581	2.0
175.14832	31.7
177.09178	3.6
177.16412	6.9
189.09134	8.9
193.15891	42.8
195.08086	4.6
207.10124	2.2
211.16933	100.0
221.06154	2.0
221.09766	1.8
227.10600	8.3
253.08624	3.6
253.12213	3.5
255.10161	8.0
259.08084	4.6
285.11200	6.0
287.12817	14.8
289.17990	2.8
307.19116	2.5
313.14365	12.4
323.05301	1.6
325.20096	3.7
331.15390	63.6
355.21024	2.4
371.87848	1.9
541.20361	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82259	1.7
69.82669	3.1
79.05484	0.9
82.64194	0.8
85.02890	2.8
91.05480	2.6
93.07063	1.7
94.16125	0.8
94.59511	0.8
95.04937	1.2
95.08616	0.9
103.05476	6.2
104.03069	0.8
105.07005	1.0
107.08580	0.9
109.06541	0.9
117.07024	1.3
119.04915	2.7
121.06497	1.3
122.03652	1.7
123.08038	0.8
123.25156	0.7
128.06204	1.0
129.06987	1.1
131.03995	1.4
131.04930	14.7
135.08069	1.5
137.05984	23.3
143.08626	1.3
145.06448	1.1
149.05963	2.1
151.07553	12.2
161.06004	3.8
161.09731	0.9
162.06784	2.8
163.07549	40.0
175.07587	4.0
177.09120	100.0
189.09164	2.8
193.06435	1.0
195.08165	1.4
195.10208	2.3
209.09666	1.0
211.16924	1.7
221.06068	1.0
221.09653	1.9
221.11729	14.8
225.09059	1.8
227.10757	3.7
253.08714	1.3
253.12151	2.0
255.10190	3.3
265.08557	1.2
285.11218	2.7
287.12787	5.7
311.12683	2.3
313.14343	5.0
319.09219	0.9
331.15414	17.5
343.15454	1.3
504.71222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	32.5
57.03431	14.2
57.07071	56.0
62.96825	6.9
67.05504	53.3
69.07056	21.1
69.84118	44.7
71.08624	35.2
75.53308	8.1
79.05481	42.9
79.93073	6.7
81.07056	60.1
83.04967	13.5
83.08610	30.0
85.02921	8.9
85.10169	21.2
87.04444	8.0
88.70174	6.9
91.05447	33.9
92.02178	7.1
93.07047	47.9
93.35203	7.5
95.04974	12.1
95.08614	73.3
97.10120	9.7
105.07031	26.0
107.08575	31.5
107.45882	7.0
109.10136	25.4
111.04422	13.2
117.07014	11.2
119.08569	19.5
121.10138	26.9
125.09589	9.6
135.11758	36.0
145.10126	27.6
163.11195	49.6
169.10181	7.2
171.11682	12.0
181.12177	9.8
191.10551	12.8
197.05595	6.8
209.11749	15.7
223.37962	7.6
227.12799	93.7
283.15329	45.0
313.27411	100.0
364.93201	7.9
521.38190	70.9
539.39069	63.0
540.52991	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	539.1378
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
58.39012	0.5
69.36655	2.5
69.37080	2.7
73.20612	0.5
85.02889	1.0
91.05495	0.7
98.97554	1.4
119.04952	1.3
135.04343	0.7
137.06017	0.9
147.04407	3.0
163.03893	3.4
177.00615	0.6
209.28746	0.6
240.08743	0.6
303.12802	0.7
348.65909	0.6
364.69925	0.6
375.11935	0.7
377.08469	2.6
401.08920	0.6
490.26428	0.6
497.49561	0.6
520.69666	0.6
539.13629	100.0
540.13702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01862	0.8
56.96552	0.5
57.03434	4.0
59.04981	0.5
61.02924	1.7
69.03430	9.3
71.01340	1.2
71.04996	2.7
71.60793	0.3
71.61141	0.5
73.02911	1.6
75.04485	1.9
81.03417	3.1
82.04536	0.3
84.08097	0.3
85.02911	3.7
87.04436	0.7
91.05462	0.7
93.07034	0.5
97.02862	1.2
98.97549	0.9
99.04459	3.7
107.08591	0.4
109.02821	0.6
109.10168	0.4
116.98621	0.4
117.05527	0.6
117.09505	0.3
121.10087	0.5
127.03877	0.3
129.19194	0.3
145.07529	0.7
147.04373	0.4
159.09253	0.4
167.06973	0.8
170.07114	0.4
172.08693	19.1
174.10356	0.3
185.64720	0.3
186.10095	0.4
190.09801	0.9
198.06624	3.4
200.08197	3.9
216.07689	11.6
218.09181	0.4
219.01711	0.4
237.02705	0.4
243.08771	57.8
244.07152	0.5
244.09402	0.5
263.07315	0.4
285.23911	0.3
297.09946	0.3
359.13550	2.6
377.14539	100.0
378.14694	1.1
539.07178	0.7
539.18787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.0
53.03951	4.6
54.65527	2.1
54.85931	1.7
55.01875	48.4
55.05516	30.3
57.03451	4.9
57.07079	93.4
65.03957	3.1
67.05505	59.9
69.03428	20.1
69.07077	24.5
69.47291	6.6
69.47717	11.1
71.04986	2.9
71.08635	60.3
73.02938	4.9
74.90608	2.0
75.41016	1.9
77.10352	2.0
79.05498	32.4
81.03412	10.7
81.07060	59.9
81.07506	3.8
82.04196	13.1
83.04984	21.1
83.08622	30.7
85.02888	2.3
85.06538	4.0
85.07658	2.1
85.10187	35.1
89.06024	14.1
91.05482	27.0
93.07056	23.1
93.91432	2.3
95.04966	16.0
95.08607	57.2
97.02903	4.3
97.06535	12.4
97.10158	16.2
98.07320	13.3
99.11745	2.9
105.07042	11.0
107.04953	3.1
107.08598	12.7
108.10701	1.8
109.06551	2.4
109.10161	24.9
111.04472	5.7
111.08110	8.8
111.11755	4.6
117.07059	3.8
119.08555	11.1
121.06532	2.4
121.10185	9.2
123.08134	6.1
123.11697	11.8
125.09659	5.9
125.13318	3.7
127.11233	9.0
131.08607	7.0
133.08646	6.2
133.10188	9.2
135.08096	2.2
135.11723	6.3
137.13280	4.2
138.88268	2.0
142.07808	2.4
145.10168	2.8
147.11755	6.4
149.09683	2.7
149.13208	2.4
153.09142	2.0
157.10106	3.4
158.05817	7.1
163.11235	4.5
165.12738	2.8
171.06525	16.9
173.60168	1.8
175.11278	2.8
185.08226	8.4
190.04718	2.7
192.11427	2.0
193.12338	2.0
199.09711	4.1
209.11842	5.1
213.11270	3.7
227.12778	12.9
239.23677	20.6
255.15886	13.3
269.17599	6.6
283.19101	3.2
297.20721	3.8
311.18857	4.9
311.22321	13.4
313.27313	11.0
313.39572	2.6
325.24066	4.0
339.25235	2.5
354.27893	3.2
367.28494	32.5
381.30136	9.3
395.31635	22.1
409.33121	5.4
423.34625	2.8
438.37015	12.6
449.43237	2.3
493.38785	3.1
521.38806	2.9
539.39557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
57.07042	0.5
59.99117	0.6
65.25719	0.5
67.05515	3.0
69.03448	0.7
69.07069	2.9
79.05489	3.5
79.37968	0.6
80.01387	1.3
81.07059	5.1
83.04990	1.2
83.08616	2.1
85.73296	0.6
91.05475	1.0
93.07054	3.0
95.08603	2.8
97.06501	1.0
100.07634	0.6
100.11247	2.6
105.07046	0.9
106.06567	2.5
107.08602	2.0
108.08160	0.9
109.10147	1.6
111.04435	1.3
116.04960	0.9
119.08592	0.9
121.10147	1.7
123.11626	0.6
124.07574	1.2
126.09212	0.6
128.07095	0.9
131.08589	0.8
134.06026	19.4
135.11710	1.1
136.07555	4.3
137.08380	2.4
137.68767	0.6
140.07086	1.4
145.10144	0.9
148.07594	1.3
149.13237	2.9
150.09140	1.8
152.07074	8.5
154.08621	1.1
159.11652	0.8
160.07625	0.9
162.09190	1.2
164.07074	0.9
166.08765	0.7
176.07132	0.6
176.10736	1.8
177.07954	0.6
178.08635	7.3
179.09372	2.7
180.06609	3.6
180.10190	8.0
181.10938	0.8
182.08147	0.6
182.15387	3.4
184.17003	1.3
188.10713	1.3
190.08644	0.7
192.10260	0.9
194.11783	1.9
202.12317	1.9
204.10190	1.5
206.08142	14.3
206.11784	0.8
208.13359	0.7
209.19202	0.8
210.15015	2.8
224.09145	3.8
228.13983	0.6
228.16013	1.0
230.11815	1.1
236.09196	0.8
245.18849	0.6
266.21228	1.2
280.15347	1.3
292.15463	1.4
294.20615	2.3
337.21243	1.6
355.22220	1.5
362.22894	0.7
378.22809	2.6
383.14987	1.9
393.30963	0.7
402.26715	0.9
440.31085	1.5
440.36160	1.0
451.37204	0.6
458.36841	1.1
472.34335	2.2
484.34213	6.4
502.35306	20.0
520.36444	25.2
521.36432	0.8
538.37457	100.0
539.37799	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	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05518	6.3
55.11330	1.2
57.03418	4.7
61.02919	3.0
67.05502	2.5
69.03423	14.7
69.07064	4.5
69.34138	4.0
69.34554	7.0
73.02917	14.5
74.15913	1.0
75.86124	1.1
79.05482	3.5
81.07053	2.8
83.04982	12.9
83.08596	3.4
85.02905	17.2
85.06523	2.0
91.05474	4.5
93.07043	4.1
95.08604	4.5
97.02884	16.3
97.06483	1.3
98.20696	2.3
105.07031	4.3
107.08593	42.0
108.08970	1.8
109.02856	1.3
109.06477	2.4
109.10133	4.3
111.08076	5.0
113.05976	1.2
115.03930	10.4
117.07043	1.4
119.08562	3.7
121.10126	8.2
123.07972	1.5
125.09599	1.8
127.03915	7.1
127.07544	2.8
131.08575	2.2
133.04964	4.7
133.10130	13.2
135.08038	3.9
135.11728	3.3
137.05872	1.3
137.09598	5.5
138.76192	1.1
145.04939	5.5
145.10167	1.6
147.11662	3.6
149.13246	6.4
151.11215	7.2
153.09119	8.0
163.05978	3.3
163.14792	3.8
173.13235	9.4
179.87421	1.2
191.14307	100.0
192.14684	1.7
209.15370	30.4
223.06096	1.5
227.16301	2.2
241.07173	2.0
259.08109	2.9
283.81494	1.3
396.54932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01863	2.3
55.05496	1.5
57.03437	5.4
59.04994	1.1
59.56650	0.5
61.02922	3.2
67.05474	1.2
69.03427	10.9
69.07056	1.3
69.25048	1.3
69.25465	5.3
71.01339	1.2
71.04976	2.5
73.02917	15.9
79.05473	1.4
81.03404	2.3
81.07049	3.3
83.04961	0.8
83.08616	1.4
85.02907	23.6
85.06533	1.5
87.04463	1.7
91.03956	1.0
91.05469	1.5
93.07064	2.9
95.04967	8.6
95.08611	2.0
97.02889	17.3
97.06535	7.3
98.21571	1.0
98.97598	0.8
99.04440	2.6
99.08068	2.0
103.03937	0.9
105.07032	5.4
107.08591	4.5
109.02866	2.2
109.06518	9.0
109.10154	3.2
111.08073	1.0
113.09650	1.1
115.03929	7.4
115.07562	1.5
119.08561	3.0
121.10146	8.8
123.08034	1.8
123.11705	1.4
125.09639	1.4
127.03921	8.5
127.07560	0.8
131.08551	2.5
133.04970	8.4
133.10130	13.0
135.08054	1.5
135.11702	1.3
139.11172	1.8
142.19380	0.6
143.10727	0.9
145.02798	0.8
145.04958	9.6
145.10042	0.9
147.11690	13.8
149.09564	0.9
149.13237	1.6
151.11205	1.1
153.09111	7.2
163.06047	3.5
163.14825	1.6
165.12733	2.5
171.10153	3.0
173.13263	6.6
177.05478	1.0
178.05850	1.2
191.14313	10.5
193.04985	0.6
209.15366	29.6
211.09689	0.9
223.06004	1.3
227.16418	100.0
228.16751	1.1
241.07092	2.0
259.08151	3.2
359.20551	0.8
389.21716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
57.07042	0.5
59.99117	0.6
65.25719	0.5
67.05515	3.0
69.03448	0.7
69.07069	2.9
79.05489	3.5
79.37968	0.6
80.01387	1.3
81.07059	5.1
83.04990	1.2
83.08616	2.1
85.73296	0.6
91.05475	1.0
93.07054	3.0
95.08603	2.8
97.06501	1.0
100.07634	0.6
100.11247	2.6
105.07046	0.9
106.06567	2.5
107.08602	2.0
108.08160	0.9
109.10147	1.6
111.04435	1.3
116.04960	0.9
119.08592	0.9
121.10147	1.7
123.11626	0.6
124.07574	1.2
126.09212	0.6
128.07095	0.9
131.08589	0.8
134.06026	19.4
135.11710	1.1
136.07555	4.3
137.08380	2.4
137.68767	0.6
140.07086	1.4
145.10144	0.9
148.07594	1.3
149.13237	2.9
150.09140	1.8
152.07074	8.5
154.08621	1.1
159.11652	0.8
160.07625	0.9
162.09190	1.2
164.07074	0.9
166.08765	0.7
176.07132	0.6
176.10736	1.8
177.07954	0.6
178.08635	7.3
179.09372	2.7
180.06609	3.6
180.10190	8.0
181.10938	0.8
182.08147	0.6
182.15387	3.4
184.17003	1.3
188.10713	1.3
190.08644	0.7
192.10260	0.9
194.11783	1.9
202.12317	1.9
204.10190	1.5
206.08142	14.3
206.11784	0.8
208.13359	0.7
209.19202	0.8
210.15015	2.8
224.09145	3.8
228.13983	0.6
228.16013	1.0
230.11815	1.1
236.09196	0.8
245.18849	0.6
266.21228	1.2
280.15347	1.3
292.15463	1.4
294.20615	2.3
337.21243	1.6
355.22220	1.5
362.22894	0.7
378.22809	2.6
383.14987	1.9
393.30963	0.7
402.26715	0.9
440.31085	1.5
440.36160	1.0
451.37204	0.6
458.36841	1.1
472.34335	2.2
484.34213	6.4
502.35306	20.0
520.36444	25.2
521.36432	0.8
538.37457	100.0
539.37799	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	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05508	8.4
55.54545	0.5
57.03441	3.3
59.04987	0.6
61.02917	2.2
67.05477	1.9
69.03419	6.0
69.07047	0.7
70.09348	2.5
71.01352	0.8
71.04990	2.4
73.02913	12.4
79.05503	0.7
81.03397	1.0
81.07053	2.5
81.38355	0.5
83.04987	7.3
83.08616	8.9
85.02902	10.8
85.06554	0.6
87.04456	1.1
91.05466	1.0
93.07037	1.6
94.51983	0.6
95.04964	40.8
95.08614	1.3
97.02895	8.4
97.06548	1.2
97.10168	0.9
98.21423	0.6
99.04449	11.5
99.08121	0.5
103.03939	0.9
105.07018	1.3
107.04981	0.6
107.08601	3.3
107.62671	0.5
109.02872	0.9
109.06505	1.5
109.10155	10.8
111.08071	1.9
115.03948	3.8
119.08549	0.7
121.06476	0.8
121.10125	1.8
123.08062	0.7
123.11687	1.5
124.08383	0.6
125.09619	2.5
127.03915	3.3
131.08527	0.8
133.04950	3.9
133.10130	5.8
135.08044	1.2
137.05962	1.0
137.09610	0.9
139.11218	1.2
145.04947	3.4
147.11674	0.9
149.09544	0.6
149.13260	1.2
151.07751	0.5
151.11185	11.4
153.09097	16.6
159.84134	0.6
163.03917	0.7
163.06017	1.6
163.14772	0.6
167.14314	13.9
168.07747	0.6
169.12180	0.6
173.13260	2.4
178.09891	1.5
181.08600	2.0
181.12286	1.0
191.14299	4.3
193.15842	1.0
194.09381	1.6
209.11989	14.0
209.15356	100.0
210.15724	1.1
223.06052	1.0
227.16457	4.5
241.07118	0.9
247.39307	0.6
251.16299	1.3
253.06992	0.6
259.08151	1.8
266.66095	0.5
306.11691	0.7
341.19589	2.2
352.70721	0.6
358.45917	0.5
360.49515	0.5
371.20486	1.1
390.74298	0.5
489.30643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03471	3.6
52.88529	3.3
55.05507	9.7
57.03427	9.7
57.07050	4.2
60.58775	3.7
61.02925	5.3
67.05486	10.5
69.03426	22.0
69.07040	7.9
70.65925	7.8
73.02924	39.9
79.05476	12.9
81.07064	23.7
83.04965	13.6
83.08614	6.6
85.02903	30.4
85.06538	7.7
87.04477	7.3
91.05463	8.7
93.07042	17.4
95.04989	16.8
95.08596	11.9
97.02901	27.9
97.06538	7.1
99.04482	3.9
105.07040	18.3
107.08600	46.6
109.02819	5.4
109.06517	19.7
109.10142	30.2
111.08064	4.4
115.03916	11.2
115.07566	4.9
119.08558	12.9
121.10149	31.9
123.08035	10.7
123.11697	35.0
124.08913	4.1
125.09610	6.6
126.33385	3.6
127.03909	9.0
131.08560	12.3
133.04948	13.2
133.10155	62.5
135.08011	8.0
139.11237	4.2
145.04921	12.0
145.10092	10.8
147.11668	14.2
149.09647	5.3
149.13246	9.1
151.11165	27.0
153.09132	9.2
165.12764	6.6
167.10709	37.5
167.14322	18.5
173.13271	33.6
175.14792	9.8
191.14319	58.3
209.15347	100.0
227.16405	58.5
249.02678	4.3
259.08002	5.1
268.40289	4.0
341.19922	3.4
395.49310	4.7
413.19250	3.7
481.81863	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	538.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26765	0.3
55.05508	0.4
56.96557	0.3
57.03430	0.8
61.02916	0.5
67.05492	0.6
69.03412	1.1
69.07060	0.3
70.06578	0.5
71.04978	0.3
73.02926	2.6
73.24421	0.3
79.05479	0.6
81.07046	1.0
83.04979	0.4
83.08612	0.5
85.02914	1.6
91.05479	1.4
93.07023	1.0
95.04980	1.8
95.08606	0.9
97.02900	1.0
97.06531	0.4
98.97562	0.5
99.04436	0.9
103.05466	0.3
105.04475	0.3
105.07030	1.1
107.04931	1.0
107.08586	1.4
109.06490	0.6
109.10140	1.1
115.03943	0.7
115.05457	0.3
117.06992	1.0
119.04942	0.8
119.08535	0.7
121.06496	2.2
121.10172	1.4
123.04488	0.4
123.08100	1.7
123.11666	0.6
124.08396	0.7
127.03874	0.5
133.02840	0.9
133.05054	0.7
133.06471	0.5
133.10127	1.1
134.07262	0.5
135.04402	0.4
135.08064	2.3
135.11617	0.4
136.05176	0.6
137.06000	0.9
145.04987	0.8
145.06348	0.4
145.10194	0.3
146.07248	0.7
147.04422	1.9
147.08025	1.6
147.11696	0.4
148.05168	0.6
149.05968	1.1
149.09599	1.1
149.13251	0.7
151.07527	3.0
151.11147	0.6
152.08232	0.4
153.05519	2.2
153.09090	0.7
154.06267	0.4
161.05963	0.7
162.06790	2.9
163.03947	0.7
163.07523	3.2
163.14771	0.4
164.08286	0.4
165.05492	2.3
166.06255	3.1
167.07002	0.4
167.10602	0.3
167.14314	0.6
168.07831	6.9
173.13231	0.5
177.09128	2.9
178.09904	12.1
179.07047	5.3
179.10565	0.6
179.14316	0.4
181.08597	16.3
191.14284	1.1
191.17928	0.4
194.09387	13.7
209.11734	100.0
209.15324	4.7
210.12027	0.4
227.16426	1.4
254.09059	0.3
470.29852	0.3
494.27643	0.4
501.85114	0.4
504.73865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.3
54.32832	5.2
54.33101	3.9
55.01857	5.5
55.05501	23.2
57.03427	17.1
57.07075	58.7
59.06153	4.2
67.05505	68.6
69.07066	28.7
69.40670	38.3
71.08623	37.2
79.05491	74.2
81.03416	8.7
81.07061	66.9
81.43792	4.3
83.04979	16.4
83.08599	23.9
85.06573	4.2
85.10204	21.2
91.05472	59.6
93.07043	72.8
95.04971	19.4
95.08598	56.2
97.10165	9.5
100.53423	4.1
105.07035	49.6
107.04955	12.7
107.08587	16.8
109.06520	5.3
109.10149	20.1
117.07043	10.0
119.08564	28.3
121.10176	12.1
123.11683	6.3
129.06999	17.9
131.08513	4.5
133.10112	16.9
143.08537	9.8
145.10104	9.4
147.11687	46.4
161.09631	8.1
161.13321	8.0
170.12935	4.2
171.11696	35.1
181.27675	4.9
187.28551	4.3
189.12788	11.3
197.98279	4.6
207.13797	35.5
223.24635	4.2
239.23840	7.5
281.17484	55.4
313.27365	92.8
341.59976	4.8
479.84109	4.8
501.38925	5.9
519.40387	100.0
537.37512	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.7
55.05510	8.5
55.65696	2.4
57.03440	4.7
57.07074	20.7
67.05499	18.6
69.07072	5.2
70.75509	4.6
70.75843	3.0
71.08636	11.8
79.05493	24.6
81.07064	22.4
83.04991	5.0
83.08611	9.7
85.10181	3.1
91.05483	17.8
93.07047	23.7
95.04986	7.6
95.08604	13.8
97.10156	2.4
103.78249	2.2
105.07018	13.9
107.08562	6.0
109.10172	5.9
109.94007	2.5
119.08591	9.0
119.69618	2.4
129.07002	7.3
133.10138	3.2
140.41983	2.1
143.08578	4.3
147.11678	11.8
161.13310	3.8
171.11754	5.6
189.12727	4.1
207.13840	11.1
275.46063	2.4
281.17502	24.7
281.29535	31.4
282.27908	100.0
299.30502	26.4
300.06268	3.1
313.27356	28.8
324.46716	2.2
328.46201	2.4
519.40436	32.9
537.53119	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	537.2672
Annotation	Asn Glu Phe Lys
Peak:m/z	Relative Intensity
55.05503	0.5
67.05495	1.0
69.03407	0.5
70.51638	1.4
79.05480	0.6
81.07045	1.5
91.05481	0.7
93.07037	0.9
95.04957	0.6
95.08614	1.9
95.09528	0.4
97.02921	0.6
98.20797	0.5
105.07014	1.8
106.96871	0.5
107.08574	1.3
109.06468	0.5
109.10141	1.1
119.08593	1.7
121.10181	0.5
123.08057	0.4
124.06432	0.4
133.10155	1.3
147.11696	1.3
155.03091	0.5
161.13225	0.9
167.06981	0.8
174.26955	0.4
190.09381	0.5
203.05249	1.8
236.50328	0.5
275.07440	3.1
333.07913	22.2
335.09479	38.6
336.09985	0.5
416.67657	0.5
537.26727	100.0
538.27051	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	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
51.58693	0.2
55.05478	0.3
62.40773	0.2
66.49640	0.2
67.05496	0.6
69.65817	0.2
71.61932	0.4
79.05434	0.2
81.07025	0.3
85.02992	0.2
93.07023	0.3
95.08612	0.6
103.73173	0.3
107.08570	0.6
109.10149	0.2
119.08602	0.3
133.10150	0.4
167.05544	0.3
185.04216	0.5
245.29851	0.3
301.20224	0.5
537.30347	100.0
538.30670	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	537.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.2
53.03949	2.4
55.01876	3.1
55.05510	20.2
57.07075	37.9
59.04983	1.9
65.03915	1.7
67.05502	24.0
69.03421	1.5
69.07066	14.0
71.00436	3.4
71.01353	2.4
71.08628	25.9
71.08996	2.3
73.67145	1.2
77.63675	1.1
79.05479	10.2
80.08869	1.2
81.03423	4.5
81.07055	31.1
83.04987	3.1
83.08614	18.3
85.06557	2.0
85.10180	15.7
85.21455	1.1
91.05460	18.4
93.07049	13.4
95.04980	3.7
95.08601	31.4
97.02877	2.5
97.06555	3.0
97.10175	7.8
99.00812	12.9
99.11729	1.2
105.07040	17.0
107.04961	4.9
107.08604	7.9
109.02879	9.4
109.06521	1.7
109.10146	16.4
111.08105	2.8
111.11764	1.7
111.50475	1.4
115.03925	1.7
117.07007	3.7
119.08599	7.5
121.06508	6.0
121.10201	2.3
123.04472	1.4
123.11693	7.8
125.13260	1.9
127.03864	1.7
128.06242	1.7
131.08560	1.3
133.06520	2.5
133.10120	31.0
135.08051	2.0
135.11688	3.0
137.05975	2.2
137.13284	3.5
139.07567	3.8
143.08591	4.6
145.10152	2.0
151.11186	9.2
153.08961	1.4
161.09598	15.0
163.11148	1.2
165.09129	1.6
165.16306	1.3
171.08093	2.7
179.10689	13.4
189.09097	11.1
197.11810	3.4
207.10141	6.4
225.11252	18.6
239.23694	8.7
243.12354	3.2
281.13876	4.5
299.06461	1.4
537.38013	100.0
538.38617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
59.29837	0.5
60.08157	6.9
62.00350	0.5
64.52805	0.5
67.05494	1.0
71.00620	1.4
71.07384	2.9
77.90453	0.5
79.05489	0.6
81.07051	1.1
86.09704	28.6
91.05794	0.7
93.07035	0.7
95.08596	0.9
98.98457	2.9
104.10722	3.2
107.08556	0.6
119.08536	0.9
121.10135	0.7
125.00009	19.7
142.11456	0.7
152.53189	0.7
159.11552	0.6
163.26537	0.6
167.05550	1.0
184.07341	100.0
193.70782	0.6
233.72923	0.6
299.06253	2.9
344.96982	0.6
415.04022	0.7
518.32397	6.2
536.28986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.05500	8.0
67.05506	7.9
69.03427	4.5
69.07068	14.1
71.04989	11.7
71.61669	6.4
73.04729	4.4
79.05519	6.7
81.07064	23.2
83.04971	6.5
85.06573	7.1
91.05476	12.6
93.07033	23.5
95.08598	22.7
97.02890	4.3
97.06558	5.1
99.08109	6.1
105.07030	35.5
107.08613	39.8
109.10147	10.7
117.07024	7.0
117.69518	4.0
119.07771	7.8
119.08580	77.4
121.06530	9.3
121.10136	48.5
123.11711	7.1
129.07014	6.1
131.08577	18.6
133.10144	57.8
135.11699	42.6
137.09639	7.5
143.08583	10.9
144.09395	4.0
144.54607	3.8
145.10101	31.1
147.08061	5.5
147.11697	23.2
149.13271	10.6
157.10141	20.4
159.08118	4.2
159.11699	34.4
161.09561	9.3
161.13292	37.6
163.11201	7.2
163.14804	38.1
165.12865	7.5
167.05559	9.0
169.10167	6.3
171.11711	12.6
173.09593	4.7
173.13266	35.7
175.11166	11.4
175.14832	100.0
177.12761	6.3
177.16344	5.5
179.14331	18.1
183.11731	8.7
184.07333	5.6
185.13258	12.7
187.14682	7.4
189.12755	8.5
189.16411	9.4
191.10759	4.6
191.14337	28.3
193.15900	51.8
197.13190	5.7
199.14816	15.1
201.12787	14.5
203.14281	18.7
205.15883	9.0
207.13831	24.3
207.71811	4.4
209.13365	5.8
209.15274	6.2
211.14838	8.6
215.14313	14.6
217.15898	18.6
219.13902	8.2
221.15396	11.6
227.14267	4.7
229.15863	9.3
231.17447	6.0
233.15413	7.3
243.13635	5.9
245.15388	7.8
257.15411	5.0
261.14868	12.3
263.16397	7.5
283.02890	4.3
299.06223	17.8
309.16830	5.1
368.07709	4.3
377.28531	5.6
401.28232	8.8
419.29532	12.0
425.26892	7.4
437.30319	21.5
455.31631	8.2
465.30176	37.0
483.31152	72.9
501.25415	7.4
501.32187	91.0
536.36163	5.5
537.29694	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	536.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14191	2.9
55.05505	8.1
56.96552	4.4
57.03448	4.5
62.95152	4.3
64.05096	3.4
67.05505	11.1
69.07072	12.8
71.04987	8.3
71.61626	4.5
79.05483	11.6
81.07061	22.5
85.06554	4.0
91.05479	13.7
93.07056	24.3
95.08619	27.1
95.09130	4.9
96.26472	3.6
97.06508	5.2
105.07052	32.4
107.08595	32.4
109.06491	5.9
109.10156	9.2
119.08594	81.1
121.06538	4.7
121.10142	48.7
123.08093	9.9
123.11728	7.5
129.06999	5.9
131.08551	15.0
133.10123	41.5
135.07994	4.5
135.10788	4.9
135.11713	37.2
143.08508	7.7
145.10097	23.3
147.07988	7.0
147.11702	12.6
149.04582	4.2
149.13179	4.8
157.10110	15.1
159.11720	27.7
161.09554	5.3
161.13261	41.6
163.14854	30.3
165.12679	8.4
167.05533	9.6
171.11717	12.6
173.09532	3.9
173.13243	33.3
175.11270	8.1
175.14836	100.0
177.09221	5.0
177.12697	5.1
177.16460	8.4
179.14343	9.5
183.11674	4.3
185.13307	8.3
187.11174	6.7
187.14835	10.7
189.12787	8.0
191.14354	14.0
193.15872	45.6
194.40727	3.6
197.13229	12.8
199.14861	11.9
203.14282	13.9
207.13867	22.9
211.14848	9.4
215.14375	8.9
217.15883	17.0
219.13708	7.9
227.14337	7.5
231.17451	8.0
233.15456	4.8
245.15547	6.8
249.18367	5.3
261.14847	7.9
263.16736	4.9
299.06366	18.6
309.16708	5.1
401.27829	6.1
419.29489	8.7
437.30682	21.9
441.26050	8.1
447.28815	7.5
455.31763	11.0
465.29965	38.3
483.31116	61.0
501.32196	71.2
536.27490	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	535.348
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
50.05717	4.4
51.90015	5.3
52.81664	4.8
55.05510	20.1
57.07070	8.0
57.43868	5.4
58.86031	5.9
59.19519	5.0
67.05493	21.0
69.03441	11.1
69.07067	23.7
70.71353	16.4
71.04987	8.3
76.56281	5.2
78.09475	5.0
79.05493	20.3
81.07054	72.8
83.04994	7.9
83.08611	9.2
85.02919	11.0
85.06541	18.3
91.05477	14.2
91.06579	5.5
93.07037	30.5
95.04973	11.5
95.08615	55.8
97.06525	9.3
97.10185	8.7
99.04447	9.9
104.31104	5.2
105.07040	22.8
107.08591	28.4
109.06515	8.2
109.10172	30.2
116.86387	5.4
119.08595	25.8
121.10159	27.7
123.11696	19.4
127.07492	6.9
133.10109	19.0
135.08043	11.3
135.11731	13.5
137.05997	16.4
137.13271	18.9
145.10103	9.3
147.08095	5.9
147.11731	27.5
149.13290	26.4
151.11143	13.8
153.12837	6.0
157.10164	7.7
159.11749	8.9
165.12721	10.2
167.06940	8.7
167.10617	7.3
171.11742	8.9
177.12776	6.2
181.12282	6.7
193.12231	21.6
195.13797	6.4
198.19653	5.4
211.13239	7.4
229.14404	18.0
229.99371	5.4
235.16878	7.0
263.20215	12.1
281.21091	13.0
319.26212	55.3
337.27417	58.0
351.25162	7.7
355.28598	9.8
356.84396	5.8
447.20993	26.0
535.25781	100.0
535.31879	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	536.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01855	2.5
56.96543	0.9
57.03437	4.1
61.02930	8.3
65.03918	0.9
67.05491	0.9
69.03075	0.9
69.03431	15.8
71.04973	2.5
73.02902	4.1
75.84810	0.8
79.05489	2.4
81.03419	5.4
83.04990	1.0
84.04504	0.8
85.02905	74.7
87.04471	1.2
91.03928	3.8
91.05482	2.2
93.03397	1.1
93.07028	0.9
95.08603	1.7
97.02895	20.2
99.04459	2.6
103.05466	9.2
105.07032	3.3
107.04959	11.3
109.02879	6.6
115.05434	1.2
120.08233	0.8
121.06516	1.5
127.03911	17.5
131.04903	3.2
133.06464	1.4
133.10115	1.6
135.04462	1.1
135.08058	7.6
137.09618	1.3
139.03903	4.7
144.06567	2.6
145.04961	32.4
149.09521	0.8
152.17236	0.9
154.06252	45.7
163.03928	4.9
163.06042	10.7
163.07541	35.8
167.07019	3.7
168.07388	1.8
178.11234	0.8
180.07886	2.7
193.08607	1.0
195.10167	100.0
196.78142	0.8
207.13753	3.4
229.52574	0.8
250.06110	0.8
425.08371	0.9
536.18573	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	535.2877
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05485	0.5
57.03421	0.6
57.43574	0.3
58.60705	0.3
63.61604	0.4
67.05484	0.9
70.97757	0.5
72.88022	0.4
79.05482	1.0
80.25860	0.4
81.03412	1.2
81.07044	1.3
83.04978	0.5
83.08630	0.5
85.02905	1.9
91.05486	1.4
93.07042	0.7
93.21538	0.3
95.04958	1.1
95.08593	0.8
97.10221	0.4
105.07033	0.9
105.18330	0.3
107.08551	0.8
109.10210	0.5
118.09676	0.3
119.08577	0.8
121.10166	0.5
131.08540	0.4
133.10168	0.6
147.11649	0.7
157.10110	0.5
193.12267	1.0
251.12537	9.0
261.75525	0.4
285.16672	0.5
307.15155	6.7
378.63193	0.4
406.36627	0.4
477.50089	0.5
535.28784	100.0
536.29315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3398
Annotation	Taumycin B
Peak:m/z	Relative Intensity
55.05511	2.5
57.03409	1.2
57.07074	2.7
67.05503	4.4
69.03421	1.4
69.07064	1.9
71.08624	1.8
71.61821	1.2
72.71792	1.1
74.86710	1.0
79.05482	3.1
81.03499	0.8
81.07052	6.6
83.01099	1.1
83.08639	1.4
85.10205	1.3
91.05489	3.1
91.56565	0.8
93.07055	5.4
95.04954	2.3
95.08610	4.9
97.06511	1.2
105.07035	3.2
107.08607	3.8
109.10143	3.4
117.07043	1.5
119.08588	4.8
121.06441	2.3
121.10157	3.6
123.11676	2.1
123.24873	0.9
131.08516	2.0
133.10133	3.1
135.11729	1.4
143.08607	2.2
145.10118	3.6
147.11713	2.5
155.08577	1.1
157.10124	2.7
159.11688	3.7
161.13214	2.5
169.10129	1.4
171.11649	2.0
173.13362	2.1
183.11668	2.6
185.13307	1.8
187.14868	2.0
199.14940	1.0
202.75345	0.8
211.14812	1.7
218.00093	1.0
227.18045	1.3
297.42535	1.0
475.31857	15.3
516.34393	1.5
535.33923	100.0
536.34399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.9
57.03429	11.4
57.07073	14.8
66.15147	7.6
67.05511	72.6
69.07076	39.4
69.97748	7.2
71.28921	7.1
71.53972	7.8
71.62577	10.5
74.29324	6.5
79.05499	30.3
81.07057	100.0
83.08618	23.7
86.09708	34.2
91.05477	28.6
93.07049	28.3
95.04967	8.4
95.08603	89.1
95.71457	7.0
97.06498	9.8
97.10167	15.8
104.10755	98.8
105.07056	24.5
107.08595	30.2
109.10152	53.3
118.90169	6.2
119.08607	26.4
121.10153	36.2
123.11687	21.7
133.10149	30.3
135.11682	26.9
137.13274	11.5
147.11682	19.9
149.13275	11.5
150.06232	7.4
150.82768	6.9
151.14781	8.1
161.13281	15.5
163.14880	14.3
165.16409	12.5
175.14809	20.7
179.17894	9.9
184.07362	42.2
189.16362	9.1
193.57130	7.3
205.29813	7.6
245.22630	62.9
263.23676	84.5
297.07892	8.7
337.27393	70.9
475.22278	15.6
493.32602	9.8
534.35876	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	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72455	0.4
52.44891	0.5
53.32914	0.5
55.05490	1.0
56.05004	1.4
57.03407	1.7
57.07039	0.7
58.06574	1.7
59.07345	0.5
59.47683	0.4
60.08158	14.9
61.02927	1.0
67.05473	2.2
69.03400	1.7
69.07064	0.8
71.07366	7.0
71.08621	1.1
71.43608	0.6
73.02923	3.8
79.05482	1.8
81.07048	6.8
83.08571	1.2
85.02905	3.9
85.35959	0.5
86.09702	49.2
91.05450	1.2
93.07042	3.0
95.08599	3.4
97.02898	3.8
98.59009	0.6
98.98490	3.8
104.10738	100.0
105.07022	2.1
107.08574	2.3
109.10159	2.1
115.03893	1.3
119.08548	1.4
121.10133	3.1
123.11732	0.9
125.00001	26.6
127.03908	1.0
133.04970	2.3
133.10097	1.2
135.11674	1.6
143.01088	0.5
145.04987	2.0
145.10042	0.8
147.11665	0.9
149.02370	0.9
149.13280	1.9
163.06007	0.8
163.14980	0.5
170.26274	0.5
171.11739	0.7
179.14281	1.0
184.07329	88.1
205.19475	0.7
209.72252	0.5
258.11002	0.8
265.13242	0.5
351.25214	0.7
375.36160	0.5
393.66635	0.5
402.30368	0.6
516.31024	6.0
517.17377	0.7
534.32520	29.9
535.32471	1.1
548.73932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29148	0.2
55.05523	0.3
55.25690	0.2
56.05023	0.6
58.06634	0.7
60.08167	7.0
67.05505	0.7
69.03420	0.2
69.07082	0.3
70.06582	0.3
71.04984	0.4
71.07367	3.5
73.02908	0.2
79.05489	0.5
81.07059	1.0
85.02930	0.4
86.09706	31.5
91.05458	0.3
93.07045	1.1
95.08625	1.0
95.97390	0.3
97.02888	0.4
98.21458	0.7
98.98474	3.0
104.10741	5.2
105.07037	0.4
105.90896	0.2
107.08592	0.4
109.10150	0.5
119.08562	0.4
121.10165	1.2
125.00005	23.7
130.07512	0.2
133.05011	0.3
135.11679	0.3
143.01050	0.4
148.28192	0.2
149.13226	0.4
153.59550	0.2
184.07339	100.0
185.07700	0.5
201.16319	0.3
202.16673	0.2
205.19583	0.2
249.10793	0.3
250.11284	0.3
258.10959	0.3
305.13638	0.3
326.46030	0.3
418.75046	0.2
516.30750	1.0
534.26257	0.9
534.31830	3.1
535.29083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2959
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
57.03440	15.6
67.05529	13.7
69.03423	35.5
71.21448	26.3
71.21814	11.1
73.02915	43.5
74.65343	10.3
79.05508	14.3
81.03422	18.5
81.07054	42.7
83.08636	12.2
85.02905	73.8
85.06546	10.8
91.05452	24.7
93.07046	31.4
95.04976	12.4
95.08612	66.8
97.02871	56.7
98.97584	16.4
105.07036	37.8
107.08606	46.2
109.10160	50.4
115.03950	25.3
119.08586	46.9
121.10175	34.1
123.11659	21.2
127.03915	25.0
133.05005	27.1
133.10126	40.4
135.11716	14.2
145.04951	34.2
147.11681	35.4
161.13300	23.1
163.06006	14.6
203.17961	100.0
221.19005	80.0
300.38599	11.3
315.05630	11.5
325.43405	11.3
328.11487	12.8
533.29236	37.0
533.35773	76.5
540.62225	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	534.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01861	1.2
56.96568	0.5
57.03426	2.3
58.82391	0.5
61.02930	3.5
69.03431	7.5
69.69341	1.7
69.69740	0.9
69.72751	0.5
71.04993	0.7
73.02906	1.3
81.03413	3.8
82.21639	0.5
83.13525	0.5
85.02905	26.3
85.03427	1.2
87.04440	0.7
90.34357	0.4
91.03941	1.2
91.05461	1.3
97.02895	7.8
99.04442	1.1
103.05451	0.6
107.04907	0.7
109.02875	2.7
111.04334	0.6
115.05419	0.8
119.04918	1.3
125.05970	1.4
127.03931	4.8
131.04921	2.7
131.57732	0.6
135.04401	0.5
137.05989	1.6
143.04947	1.5
145.02899	0.9
145.04953	5.5
147.04420	5.5
149.06007	2.7
151.03928	3.9
153.05489	2.5
155.05014	0.6
157.06461	0.9
159.04382	1.0
161.05989	1.7
163.03905	3.0
163.07559	1.2
169.05093	0.9
169.06412	3.0
171.04453	2.2
173.06087	0.6
175.03906	1.5
175.07578	0.9
176.04707	2.4
177.05467	11.8
179.07173	0.9
180.08679	2.1
183.04280	0.8
185.05989	1.0
185.67535	0.5
187.05994	0.9
187.07582	1.2
188.04602	1.1
189.05473	2.5
190.06340	0.6
191.07047	13.1
195.02890	1.0
195.06465	1.1
197.05984	3.1
199.03860	1.4
200.04604	1.1
201.05399	0.7
201.09073	0.8
203.07057	3.7
203.08667	0.6
205.04996	0.9
207.06563	3.5
211.07527	0.6
213.03815	0.9
213.05588	0.9
214.06227	3.0
215.07047	4.6
216.04054	0.7
217.05000	3.8
217.08537	1.0
219.06535	13.0
221.04475	4.9
227.07019	1.5
229.04999	0.9
229.08641	4.1
231.06628	5.6
233.08215	0.7
242.05701	1.4
243.06549	3.5
245.08107	2.2
247.06128	0.7
257.08084	1.7
259.06100	3.1
261.07553	1.0
273.07529	3.1
291.08530	2.3
292.14200	0.5
295.08127	0.7
301.07147	0.8
309.09622	2.2
319.08078	1.3
337.09174	100.0
338.09546	1.5
355.10092	2.0
359.13113	0.6
372.12994	0.9
534.22345	2.4
535.17883	0.8
550.38055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2725
Annotation	Roridin A
Peak:m/z	Relative Intensity
55.05505	0.5
57.03413	0.5
58.50665	0.5
60.58242	0.4
67.05493	1.3
69.07056	0.5
69.42509	3.6
71.04998	0.7
79.05494	1.8
79.11777	0.4
81.03417	1.3
81.07064	2.1
81.53082	0.5
83.04995	0.9
83.08627	0.7
83.68466	0.4
83.69074	0.4
85.02898	1.5
91.05491	0.9
93.07060	1.7
95.04990	1.0
95.08603	1.1
104.10748	0.5
105.07041	1.0
107.04961	0.4
107.08611	1.2
108.07697	0.4
111.08134	0.5
119.08606	1.7
121.06508	0.4
121.10126	1.1
123.08061	0.4
123.96443	0.4
129.07025	0.6
131.08485	0.6
133.06473	0.5
135.11745	0.7
145.10078	1.1
157.10176	0.6
163.11176	1.1
191.17943	0.5
239.53238	0.4
249.10960	4.0
251.12570	5.4
283.15430	1.0
285.17032	0.6
305.13663	2.8
307.15164	6.5
338.53616	0.4
349.55637	0.5
490.35718	0.4
507.08340	0.5
533.27240	100.0
534.27448	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	533.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.7
55.05499	6.4
57.03432	13.9
61.02929	8.3
65.33818	5.6
67.05487	12.0
69.03426	43.2
69.07077	10.1
69.25443	26.7
69.25863	33.2
73.02928	27.4
81.07039	16.6
85.02427	7.3
85.02905	80.3
91.05470	11.5
93.07071	12.1
95.08621	30.7
96.64102	5.5
97.02895	58.9
102.61078	5.9
105.07037	23.9
107.08566	20.7
109.10136	21.2
114.36938	6.1
115.03898	17.8
119.08571	16.1
121.10142	17.1
123.11741	7.9
127.03903	18.7
133.04953	17.4
133.10107	25.6
135.11665	7.5
145.04913	19.3
145.63722	5.7
147.11678	27.0
161.13284	5.7
163.06024	8.9
203.16208	10.1
203.17958	100.0
221.19005	51.1
229.05708	5.3
282.31180	5.9
285.36819	5.8
533.35272	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74478	13.1
55.01885	16.1
55.05514	24.7
57.03432	20.3
67.05495	33.7
69.03426	39.9
69.07076	24.0
71.04980	47.8
71.05335	24.9
73.02917	50.9
79.05487	47.9
81.07062	100.0
83.04972	23.5
83.08630	24.9
85.02919	80.7
91.05473	34.0
93.07040	79.2
95.04991	17.1
95.08607	48.5
97.02886	53.5
97.06521	16.5
97.10189	20.4
99.04478	15.0
105.07039	62.0
107.08625	84.1
109.06522	14.9
109.10195	45.0
115.03972	21.3
115.05458	16.8
116.44816	15.9
117.17370	12.7
119.08597	86.0
121.10123	38.5
123.11716	59.2
127.03937	20.1
127.11200	24.7
133.04938	24.2
133.10172	71.6
135.11682	61.7
139.03909	18.6
139.11252	17.1
143.08713	14.6
143.10622	23.4
145.04997	23.2
147.11690	51.6
149.13277	19.5
153.12703	18.0
157.10138	17.1
163.11154	17.1
163.74760	13.8
167.07065	31.4
177.05556	18.0
203.17953	52.4
219.17430	27.4
220.17673	25.1
221.19061	50.1
339.12369	24.5
371.14780	30.5
429.43033	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	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05490	3.6
67.05497	7.4
68.98991	2.3
69.03440	6.5
69.07067	4.6
70.19303	8.1
70.19712	5.1
73.02919	3.4
73.11547	2.6
74.09669	2.4
79.05482	7.4
81.07049	8.2
85.02897	8.3
86.67828	2.6
89.03886	3.2
91.05492	6.6
93.07026	7.1
95.04959	3.6
95.08602	10.6
97.02886	6.4
98.97605	6.8
100.48662	2.7
105.07033	8.1
107.08599	18.9
109.06487	7.2
109.10186	16.6
110.97544	5.2
115.74525	2.7
117.07030	4.9
119.08620	3.5
121.10154	17.6
122.07284	4.1
133.10135	100.0
135.08044	10.6
135.11662	5.8
137.05962	11.6
137.09630	62.7
146.91681	2.7
147.11656	3.3
149.06001	4.0
149.13243	8.6
158.99664	2.9
162.06721	3.9
163.03870	4.4
165.00865	2.5
165.12804	3.7
170.99625	3.8
173.13289	5.0
176.03368	4.5
184.87889	2.4
185.03951	5.1
189.00676	3.3
191.14307	50.4
191.31473	2.6
209.15346	24.6
239.16420	5.8
248.52415	2.6
248.99026	2.9
249.02759	6.4
272.10785	6.0
272.61044	6.7
275.07693	2.6
279.07870	2.7
281.61484	4.4
291.03766	5.2
298.65582	2.9
533.27460	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	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.1
56.96575	6.7
57.55389	3.5
67.05494	8.5
69.03411	9.4
69.07063	12.5
70.03265	15.6
73.02905	11.1
79.05491	8.8
81.07060	15.6
85.02895	11.4
91.05461	8.8
95.08611	7.4
97.02880	5.9
98.97588	28.7
103.05482	6.6
105.07025	10.1
107.08594	22.4
107.26484	3.5
109.06530	6.2
109.10143	15.7
110.97558	10.3
115.05457	3.7
116.98605	6.2
118.09076	3.2
121.10136	11.0
122.07279	5.5
128.98640	6.5
130.04149	4.2
131.08618	4.7
133.10136	100.0
134.10486	3.5
135.08044	10.9
135.11736	7.1
137.05954	9.9
137.09613	74.6
149.13234	14.4
158.99672	8.1
161.05972	16.8
162.06754	9.4
167.07004	8.5
170.99716	8.9
173.13260	7.1
173.24194	4.0
175.07556	5.3
175.14771	3.5
177.00648	4.4
177.09108	5.3
181.08586	12.1
185.03926	6.8
189.00739	6.7
191.14316	53.9
201.00511	3.8
205.08630	5.2
206.08893	5.4
209.15372	11.5
237.02866	6.5
239.09410	4.3
249.02861	13.4
272.10941	43.2
272.61014	5.7
302.26910	3.9
311.12717	9.7
323.09229	4.0
343.15439	9.9
344.57144	3.7
411.16724	5.2
419.02768	3.9
429.18176	5.2
533.19379	21.3
543.21179	22.3
544.21576	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	532.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54525	0.7
53.03933	1.4
55.01859	1.5
55.05498	2.2
57.03431	4.2
61.02915	3.1
65.03928	0.8
65.82361	0.9
67.05503	9.1
69.03428	7.0
69.07054	3.6
71.01343	1.2
73.02544	1.2
73.02918	17.8
79.05504	4.7
81.03391	1.6
81.07058	17.8
82.31015	0.8
83.08593	0.9
85.02908	17.4
91.05481	11.0
93.07043	10.8
95.08604	30.2
97.02894	16.2
97.10184	0.9
98.21461	2.5
99.04388	0.8
103.03951	0.8
105.07028	32.6
107.08595	19.3
109.02859	1.9
109.09441	1.4
109.10157	20.9
115.03936	7.3
119.07786	1.6
119.08583	19.5
121.10149	8.4
123.11701	7.8
127.03927	6.4
131.37024	1.0
133.04968	13.9
133.10124	12.6
135.11632	1.8
145.04965	11.2
145.10141	0.8
147.11688	43.1
161.13251	12.0
163.06039	8.1
175.14836	5.1
191.34677	0.8
203.17952	100.0
217.07144	1.4
223.05939	2.5
241.07074	2.5
259.08163	7.0
277.09131	2.4
295.10254	6.7
320.29385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06890	3.0
53.03952	5.8
55.05496	14.5
57.03429	5.2
57.07070	4.4
61.02931	6.6
66.59621	3.1
67.05174	3.8
67.05507	73.5
68.05817	3.9
69.07079	17.3
69.59967	11.3
69.60386	9.7
69.95087	3.4
71.08646	3.2
74.09723	5.5
79.05495	53.0
81.07057	81.8
83.04964	4.7
83.08616	7.9
85.02927	5.6
85.06559	4.8
91.05484	30.5
93.07047	69.8
95.04973	3.9
95.08033	4.9
95.08608	61.1
96.51364	3.6
97.06494	3.5
97.10170	8.3
98.20696	3.0
105.07022	20.8
107.08596	43.0
109.10166	37.2
117.07012	14.3
119.08583	23.9
121.10147	37.0
123.11719	14.9
125.09608	3.5
131.08574	21.7
133.10155	18.7
135.11685	29.3
137.13237	4.4
145.10104	20.0
147.11713	15.4
149.13220	22.9
159.11662	14.6
161.13258	12.9
163.14784	13.7
171.11667	3.9
173.13216	15.3
175.14854	5.0
177.16278	3.5
187.14807	8.8
233.22589	3.4
243.21040	30.4
261.19360	5.5
261.22137	100.0
279.23090	4.9
335.25769	17.3
353.26865	25.2
514.36511	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	533.257
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98560	0.4
69.03417	0.6
69.07059	0.8
73.02898	1.2
80.66154	0.4
81.07050	1.1
85.02892	0.6
95.08580	0.5
97.02876	0.8
97.73531	0.4
107.08630	0.5
119.50735	0.4
275.07373	0.9
313.16010	2.3
317.08423	1.2
335.09570	4.6
401.21487	0.7
445.20447	31.8
446.20691	0.9
533.25677	100.0
534.25995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59498	0.7
53.03940	1.9
55.01859	1.4
55.05508	2.5
56.07436	0.7
56.97748	0.8
57.03430	2.2
57.07070	1.1
60.31955	0.7
61.02931	1.3
67.05499	2.9
69.03435	9.1
69.07073	3.2
69.49066	5.8
71.04985	1.9
73.02902	3.7
78.70369	0.7
79.05499	3.6
79.55242	0.8
81.03423	7.3
81.07051	4.9
83.04991	1.6
83.08623	1.9
85.02906	18.2
91.05479	3.3
93.07042	5.0
95.04967	1.2
95.08607	5.3
97.02896	9.1
97.06494	1.4
99.04461	9.7
103.03939	10.1
105.07037	5.0
107.04968	0.9
107.08588	10.2
109.02879	8.3
109.06522	2.5
109.10156	3.4
111.08105	1.0
117.03431	0.7
117.07030	1.5
117.80746	0.7
119.08578	7.3
121.06519	4.8
121.10140	11.8
123.08073	22.3
123.11669	1.9
127.03911	23.5
131.08572	1.7
133.06520	1.2
133.10139	4.2
135.08057	4.4
135.11682	5.2
137.09613	2.2
143.08595	1.0
145.04961	13.2
145.10129	5.3
147.08095	0.8
147.11694	2.9
149.09607	4.3
149.13255	1.7
151.07544	41.0
151.11131	1.7
153.09074	0.9
159.11664	4.4
161.09604	1.3
161.13261	1.9
162.30281	0.7
163.06044	3.5
163.11172	20.5
163.14934	1.0
165.12801	1.1
167.07112	1.0
170.64011	0.8
173.13255	0.9
175.14842	2.2
177.12744	5.4
177.16351	2.1
181.12190	1.0
187.06006	3.0
189.12737	5.3
191.14253	1.0
191.18024	1.1
201.16370	4.2
205.12253	0.8
207.13820	25.9
209.15430	1.2
219.17441	100.0
220.17735	1.4
223.13258	1.3
225.14911	0.9
237.18492	74.7
238.18803	1.0
271.08209	2.6
289.09131	1.2
513.23474	1.5
531.24310	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	531.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05507	0.3
57.03428	0.5
67.05502	0.3
69.03405	0.4
69.07067	0.2
69.52424	1.1
73.02928	0.3
79.05494	0.4
81.03412	0.3
81.07055	0.6
85.02906	1.0
90.32876	0.2
91.05498	0.5
93.07035	0.5
95.08607	0.6
96.79192	0.2
97.02899	0.7
98.20724	0.3
98.97599	0.5
99.04466	0.5
101.00888	0.3
103.03934	0.3
105.07021	0.6
107.08608	0.5
109.02834	0.3
109.06496	0.2
109.10168	0.3
116.98606	0.2
119.01956	1.0
119.08598	0.6
121.06541	0.4
121.10159	0.5
123.04428	0.2
123.08067	0.6
127.03915	0.9
131.01917	0.6
131.08583	0.3
133.06474	0.4
133.10095	0.4
138.05518	0.3
143.01889	0.5
145.04996	0.3
145.10112	0.3
147.11714	0.3
151.07567	0.6
153.05524	0.2
155.01917	0.6
157.92825	0.2
159.11682	0.2
161.02948	0.6
163.04008	0.3
163.11240	0.3
173.02992	0.8
185.02928	0.3
189.12746	0.4
191.14314	0.4
207.13826	2.5
209.15327	0.3
221.05006	1.3
233.04984	0.3
275.07431	1.1
276.56598	0.2
281.11481	0.3
294.54141	0.2
297.19080	0.5
315.20096	0.3
326.81641	0.2
335.09430	1.6
375.36252	0.3
399.22516	2.8
481.17822	0.3
531.27753	100.0
532.28094	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	531.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25661	1.1
53.03939	3.0
55.01867	3.6
55.05510	8.2
55.44421	1.0
57.03434	6.3
61.02914	1.8
67.05508	6.8
69.03426	14.0
69.07064	4.1
70.03390	2.8
70.03788	2.6
71.04990	3.4
73.02917	5.4
79.05492	9.4
81.03421	15.4
81.03918	1.8
81.07059	15.1
83.04980	3.3
83.08636	2.3
85.02900	27.8
85.06540	2.6
87.04487	1.2
91.05468	16.0
93.07043	14.1
95.04968	4.2
95.08607	10.6
97.02896	17.5
97.06532	2.6
98.21392	1.6
99.04456	19.7
99.08073	1.7
103.03936	18.8
103.05451	1.9
105.07029	57.2
106.07379	1.7
107.04926	1.5
107.08584	16.2
109.02868	10.5
109.06523	7.6
109.10160	5.9
111.04473	1.5
115.03919	2.1
117.07028	6.7
119.08582	55.9
119.09436	2.9
121.06515	5.3
121.10133	6.9
123.08079	19.0
123.11725	2.4
125.09656	1.7
127.02970	2.3
127.03913	38.2
131.08571	3.6
133.06502	1.9
133.10135	8.3
135.08054	13.9
135.11705	3.7
137.06020	1.4
137.09642	4.1
137.31305	1.1
145.04945	15.0
145.06062	1.4
145.06505	1.2
145.10103	7.1
147.11682	100.0
149.09607	12.9
149.13303	1.3
151.07538	5.9
151.11154	7.6
157.10066	1.4
159.11713	3.0
161.13292	3.9
163.06047	2.2
163.11150	5.5
165.12755	86.4
167.07114	1.5
167.10640	1.8
177.12712	15.1
179.14319	2.7
187.06068	4.3
189.12730	4.2
191.18019	1.4
201.16429	2.8
207.13800	87.8
209.15309	1.4
219.17409	4.3
225.14870	10.3
237.18483	3.9
271.08145	2.0
319.46536	1.3
352.64917	1.2
513.23523	1.9
531.25000	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	531.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.83373	1.1
55.01861	1.6
55.05511	2.4
57.03440	6.3
57.07049	2.3
61.02923	2.2
67.05509	5.4
69.03429	16.9
69.07062	4.1
69.56579	4.8
69.56989	2.4
71.04987	3.4
73.02912	5.1
74.09702	3.0
79.05476	6.3
81.03418	16.8
81.07064	10.2
83.04969	3.0
83.08629	3.1
85.02904	44.0
85.06542	2.1
87.04472	1.5
91.05479	4.9
93.07027	7.0
95.04968	4.5
95.08602	9.7
97.02895	24.8
97.06538	3.2
99.04450	24.0
103.03941	26.0
105.07027	12.1
107.04963	2.7
107.08598	14.2
108.05756	1.2
109.02869	15.5
109.06501	5.6
109.10160	5.7
111.04436	1.5
111.08082	2.2
113.06003	1.5
115.03902	1.6
117.06976	1.9
119.08593	10.7
121.06496	7.3
121.10143	12.1
122.07291	2.4
123.08067	48.4
123.11697	3.7
127.03916	60.6
131.08566	2.9
133.06502	4.0
133.10120	5.3
135.08119	5.6
135.11684	6.1
137.06007	1.9
137.91545	1.1
143.08623	1.3
145.04955	32.1
145.10088	7.2
147.08070	2.1
147.11694	4.8
149.09610	5.6
151.07538	100.0
153.09103	2.6
155.07143	1.0
156.09251	1.1
157.10121	1.4
159.11696	3.4
161.13228	2.5
163.03839	1.1
163.06050	7.8
163.11174	27.8
165.09164	1.2
167.07043	2.6
171.11690	2.2
175.14786	2.3
177.05498	1.4
177.12766	4.2
177.16426	2.0
181.12274	1.7
187.05989	7.7
189.12726	18.1
191.14297	2.5
192.11322	1.3
201.16405	3.3
205.07088	1.6
207.13799	64.3
209.15344	4.8
219.17429	75.1
220.41743	1.1
223.13313	1.2
225.14894	4.6
235.12645	1.2
237.18475	53.7
271.08170	6.9
289.09155	3.1
292.49567	1.1
307.10098	2.4
314.95526	1.0
509.41217	1.3
513.22955	4.5
531.24249	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	531.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
56.96568	0.4
63.96457	0.2
67.05529	0.3
69.03419	0.4
69.07045	0.5
70.06573	0.9
72.30045	0.2
85.02894	1.1
91.05456	0.3
93.07043	0.3
95.04998	0.3
97.02847	0.4
98.97601	1.2
105.07079	0.3
112.07615	0.5
116.98644	0.6
119.04987	0.3
120.08170	0.3
127.03940	0.3
128.98616	0.3
136.07545	0.4
140.07056	0.4
147.04381	1.3
162.09175	0.9
163.09453	0.5
167.07031	0.3
180.10269	0.8
181.10481	0.5
207.10020	0.7
208.09702	1.8
209.10031	1.0
219.01797	0.3
234.98950	0.3
237.02850	0.8
285.09552	1.2
287.07379	0.3
291.09842	0.3
292.10034	0.3
322.50223	0.3
323.12497	0.8
324.12805	1.4
339.05084	0.3
347.09583	0.7
358.08179	1.0
369.15192	0.3
387.16245	9.9
388.16443	0.3
418.67145	0.3
429.17413	1.5
438.13287	0.3
469.20486	22.3
470.20740	0.7
471.18369	5.7
499.19101	1.0
513.19708	0.8
531.20508	100.0
532.20966	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	531.2044
Annotation	Phe Ser Tyr Asp
Peak:m/z	Relative Intensity
55.01883	0.3
55.52103	0.3
62.16986	0.3
65.62325	0.3
70.06579	0.6
70.39744	1.1
70.40105	0.2
84.96036	0.3
85.02894	0.7
87.93369	0.3
88.80703	0.3
93.07021	0.4
93.74503	0.3
98.97591	1.3
107.08574	0.3
109.10175	0.3
116.98650	0.4
117.54996	0.4
127.03924	0.4
128.98663	0.4
139.11212	0.3
147.04396	0.9
158.67101	0.3
162.09273	0.5
163.09453	0.7
173.59702	0.3
180.10117	0.5
181.10542	0.6
187.53592	0.4
188.07144	0.3
207.10056	0.5
208.09720	1.4
209.10115	0.9
218.38641	0.3
255.39717	0.4
285.09430	1.3
298.65134	0.3
323.12320	1.1
324.12753	1.3
347.09448	0.3
358.08203	0.5
387.16269	9.8
390.52390	0.3
429.17139	1.7
469.20468	22.7
470.21271	0.4
471.18350	5.7
499.19388	0.6
513.19464	0.8
531.20514	100.0
532.20929	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	531.2049
Annotation	Phe Ser Tyr Asp
Peak:m/z	Relative Intensity
56.96569	0.5
57.03434	0.5
69.03436	0.9
71.05015	0.4
71.61372	0.5
79.05504	0.4
81.03433	0.4
81.07055	0.9
81.91251	0.4
83.04951	0.5
84.63669	0.5
85.02882	0.5
87.84912	0.4
91.05475	0.8
93.07032	0.6
95.04969	0.4
95.08624	0.4
97.02930	0.5
98.97590	0.8
105.07019	0.5
107.08598	0.4
119.08614	0.4
121.10130	0.8
123.71087	0.4
127.03926	0.4
131.08545	0.4
155.99609	0.4
158.99672	0.5
163.11131	0.4
165.09279	0.4
169.47083	0.4
203.05234	0.6
207.10016	1.7
207.13853	1.2
225.11064	3.7
234.90062	0.4
243.10825	0.4
245.62138	0.4
285.09363	2.0
287.07355	2.1
323.12247	0.5
329.08328	0.4
345.08090	0.8
347.09451	5.7
369.14594	0.4
387.16232	5.8
429.17258	2.4
469.20474	9.8
471.18384	9.7
513.19250	1.0
531.20496	100.0
532.20984	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	531.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28466	0.6
52.59999	0.6
56.96547	0.7
69.03426	1.6
69.70880	3.1
70.62468	0.7
72.03241	0.7
85.02903	1.9
89.03917	6.6
89.78667	0.6
90.94886	0.6
95.04977	0.8
97.02875	0.9
98.97607	1.7
100.37885	0.8
110.97596	0.9
117.03381	17.2
127.03840	0.9
128.98581	0.7
134.03586	1.4
135.04443	1.1
137.06000	2.8
145.02849	45.8
147.04341	0.6
149.05981	5.9
162.47365	0.7
162.60663	0.7
163.03896	1.3
167.07022	2.6
168.07228	0.7
177.05470	100.0
195.06499	0.8
217.05309	0.7
234.98943	1.0
237.02777	1.6
295.06088	0.8
369.16608	1.1
399.03671	2.3
498.28290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
53.63230	1.2
55.01867	2.0
55.05502	3.5
57.03434	6.2
58.59996	1.4
67.05491	7.1
69.03416	9.6
69.07072	6.8
71.04980	2.7
71.05404	1.8
71.05756	2.8
73.02907	3.9
78.04711	1.7
79.05495	6.3
81.03413	5.2
81.07055	14.3
83.04964	2.0
83.08607	1.6
85.02897	16.1
85.06532	4.6
89.03902	15.0
89.06042	2.2
90.92195	1.3
91.05482	9.5
93.07037	10.7
95.04964	3.5
95.08592	9.6
96.08922	1.9
97.02894	9.0
97.06522	2.6
99.04469	8.5
103.03925	4.8
105.07034	11.3
107.04928	2.2
107.08586	10.2
109.02855	4.1
109.06510	3.5
109.10149	7.7
117.02603	2.3
117.03383	33.7
117.07003	2.1
119.08597	7.3
121.06470	4.4
121.10136	8.5
123.08074	10.4
123.11681	4.0
125.09597	2.3
127.03899	13.9
131.08543	4.4
133.06482	1.7
133.08589	1.5
133.10120	11.3
134.03622	2.1
135.04408	10.5
135.08020	3.9
135.11670	4.1
137.05971	3.0
137.09621	1.9
139.03835	1.5
139.11168	1.7
143.08539	1.6
145.02844	61.8
145.04906	6.0
145.10159	6.3
147.04288	1.6
147.11681	9.8
149.05986	9.9
149.09613	3.1
149.13263	2.5
150.54047	1.4
151.07516	12.4
151.11183	3.4
153.05487	3.1
159.11685	3.1
161.09566	1.3
161.13237	3.8
163.03906	28.5
163.06000	1.8
163.11165	4.0
165.05429	2.1
165.09068	1.8
165.12737	7.4
167.07040	4.0
173.09538	1.5
177.05466	100.0
177.12738	2.9
181.12184	1.7
187.06042	2.6
189.12741	3.9
189.16344	2.4
191.10719	2.1
201.16458	1.9
207.13808	42.6
218.16106	1.7
219.17398	4.5
225.14795	2.3
235.16930	5.0
236.17258	5.8
237.14897	1.5
237.18329	5.6
267.26974	1.3
270.34009	1.2
329.49518	1.5
333.09418	1.5
369.22916	2.2
399.19601	3.5
441.30206	2.5
459.30853	3.1
477.32578	2.9
513.13391	1.7
531.23920	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48027	1.0
53.03943	5.2
55.01856	2.4
55.05513	18.2
57.03439	17.5
57.73401	1.1
59.04992	1.3
67.05177	1.8
67.05508	29.2
67.87493	1.0
69.03424	6.4
69.07070	10.0
69.34767	7.6
69.35190	3.1
69.85934	1.0
71.04979	5.0
78.73198	1.2
79.05058	1.4
79.05495	32.2
81.03419	78.2
81.07057	34.4
83.04987	24.4
83.08135	1.5
83.08618	27.2
85.02417	1.6
85.02905	28.4
85.06540	2.3
91.05481	46.3
93.07039	19.4
95.04973	33.3
95.08112	1.4
95.08614	13.8
97.02863	3.6
97.06506	4.0
97.10162	4.3
98.20685	2.0
101.99342	1.0
104.20908	1.1
105.04494	1.4
105.07026	29.0
107.04941	7.7
107.08619	8.3
109.06512	5.5
109.10149	3.0
111.04424	3.0
111.08084	11.9
113.05978	3.6
115.05431	2.2
117.06997	2.3
119.08585	27.0
120.08971	1.0
121.06533	2.3
121.10143	11.3
123.08064	3.5
123.11690	1.6
123.67575	1.0
125.09618	1.9
129.07001	14.7
131.08566	15.7
133.06514	2.6
133.10136	15.5
137.09593	2.2
142.07741	4.3
145.10101	2.0
147.08040	4.0
147.11684	18.8
149.09641	6.8
157.10136	17.6
165.12735	4.3
175.11195	19.2
193.12244	68.3
211.13298	100.0
220.26056	1.3
232.66219	1.3
236.20879	1.2
249.14738	1.5
267.15894	28.0
285.16965	78.8
385.23453	1.8
432.05835	1.2
459.27304	7.2
465.42410	1.2
477.28445	11.1
495.29565	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13622	0.9
53.38350	0.9
55.05513	1.3
64.33281	0.9
67.05512	2.3
69.03427	1.0
69.07057	1.5
71.05202	2.2
82.91885	1.0
85.02911	1.1
86.09678	1.6
91.05489	1.4
93.07072	1.5
94.06590	1.7
95.04995	2.9
95.06617	1.0
108.04471	2.0
122.06052	1.3
124.03880	1.0
126.49234	1.1
130.64687	1.0
132.54494	1.0
138.05505	6.7
140.07016	1.2
146.05980	12.6
162.09109	5.1
163.03909	4.1
164.03450	1.1
164.83617	0.9
166.05061	5.8
167.29770	0.9
168.06555	1.2
174.05536	4.0
180.10176	6.0
190.08670	2.7
206.08170	3.4
208.09677	10.8
209.10698	2.3
211.08670	2.2
219.09277	2.1
223.08702	4.1
225.10294	3.1
227.08163	1.1
236.09398	1.3
237.10225	32.3
238.10835	1.1
239.08102	3.5
239.11801	3.2
241.09708	2.0
245.09184	1.5
247.08664	2.0
248.09399	2.1
249.10129	1.1
250.08606	1.6
251.08163	7.3
252.08908	2.2
253.09714	4.0
255.07689	1.9
255.11279	1.7
259.10886	1.1
263.10309	2.0
265.09732	37.1
266.07993	1.3
266.10492	3.5
267.07562	1.7
267.11301	10.1
269.09167	2.5
277.09656	1.7
279.07697	2.8
281.09204	5.3
282.10049	1.1
283.10837	2.8
287.10172	1.6
291.09717	2.0
293.09195	30.1
294.09988	2.4
295.10748	9.6
299.10318	5.3
311.10251	40.8
312.11053	3.4
313.11859	8.6
315.09753	3.1
321.08633	14.8
323.12381	9.0
325.11713	2.2
339.09744	73.4
340.10449	3.2
353.11337	10.5
357.10593	1.5
371.12378	100.0
372.11072	3.3
373.13834	1.1
375.11761	5.1
408.84595	1.0
452.18304	4.6
480.17670	45.6
498.18967	4.9
512.20386	6.5
530.21283	16.5
531.20361	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	529.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85204	0.5
53.44691	0.4
66.21038	0.4
67.05505	0.5
67.08778	0.5
69.03426	0.6
69.07066	1.0
70.46345	1.4
70.46704	0.6
72.04849	0.4
76.74734	0.4
79.05451	0.6
81.07031	1.4
84.73392	0.4
93.07067	0.6
95.04971	0.6
95.08624	1.0
97.06527	1.6
105.07043	0.8
107.08580	0.5
109.10120	0.9
119.08579	0.6
121.10197	0.6
121.69146	0.4
129.42183	0.6
131.08513	0.5
135.11702	0.6
136.88182	0.5
203.05281	8.6
244.95345	0.5
277.86667	0.4
349.27252	4.2
529.33447	100.0
530.33838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.05512	18.2
57.03433	4.1
57.07059	3.7
59.06108	2.9
65.03938	5.1
67.05508	59.3
69.07079	22.4
71.04999	2.2
71.08595	1.8
71.44233	1.8
79.05497	51.5
81.03429	6.6
81.07062	67.5
82.11444	1.5
83.04987	5.2
83.08617	14.6
85.06536	2.9
85.10204	1.5
87.04462	3.4
91.05481	33.7
92.56941	1.9
93.07047	53.1
94.07365	1.7
95.04975	6.4
95.08605	38.7
97.06534	5.4
97.10170	5.8
99.08124	2.0
102.75769	1.5
105.04526	1.8
105.07050	23.0
107.08589	26.9
109.06580	2.0
109.10172	14.0
111.08070	3.8
111.11727	1.8
117.07001	10.7
119.08582	17.1
121.06518	2.7
121.10137	26.1
123.11723	7.0
125.09647	2.8
128.06285	1.6
129.07024	5.5
131.08583	21.1
133.10149	18.1
135.11699	12.5
137.09604	2.2
143.08594	7.4
145.10133	14.1
147.11703	8.9
149.09760	2.1
149.13260	15.9
155.08568	2.8
157.10126	4.6
159.11707	12.1
161.13268	6.6
163.14862	2.4
169.10172	4.0
171.11729	6.7
173.13248	9.0
175.14850	2.7
177.12839	2.5
183.11784	1.5
185.13310	3.6
187.14870	3.8
193.12228	2.7
195.11938	2.2
195.13882	6.1
199.14888	3.5
235.20708	2.3
256.26459	3.6
261.22131	3.6
267.02847	1.6
385.06351	1.7
419.33215	4.2
437.34283	5.7
443.42026	1.7
455.35565	3.7
473.36484	3.2
529.38971	100.0
530.39459	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
51.59641	1.0
53.03949	5.5
54.39362	1.3
55.01871	2.5
55.05510	15.6
57.03429	2.7
57.07071	4.8
65.03954	2.0
67.05505	47.0
69.03426	1.3
69.07065	18.4
69.52994	2.5
69.53411	4.6
70.06602	1.6
71.05005	3.5
71.08635	1.3
79.05492	34.2
81.03415	14.6
81.07057	52.1
83.04984	3.5
83.08627	10.9
85.06550	2.6
91.05481	25.1
93.07042	41.1
95.04969	7.6
95.08601	28.9
97.06523	3.6
97.10186	3.1
99.08121	1.7
103.05472	1.0
105.07035	19.7
107.04954	1.9
107.08601	20.1
109.10152	12.6
111.08092	4.7
113.09703	1.2
117.07024	9.0
119.08577	13.7
119.09338	1.3
121.06506	1.4
121.10139	14.6
123.11706	2.6
123.20654	1.1
128.06219	1.6
129.06987	6.0
131.08565	17.8
133.10121	10.9
135.08064	1.6
135.11668	8.6
137.13304	1.6
143.08575	6.7
145.10124	11.7
147.11679	7.0
149.09618	2.0
149.13277	11.5
155.08543	2.5
157.10136	5.1
159.11679	9.3
161.13298	3.9
169.10144	2.0
171.11725	3.6
173.13309	4.9
175.11186	1.6
175.14876	2.3
177.12819	1.8
179.62268	0.9
183.11769	1.9
185.13361	3.6
187.14882	1.9
193.12270	4.8
195.11928	1.8
195.13849	3.1
197.13376	3.0
199.14888	2.8
201.16281	1.6
209.13313	2.2
211.14835	1.7
257.19077	1.4
261.22226	2.6
261.39337	1.0
317.24829	1.3
392.68787	1.3
419.32980	3.9
436.07660	1.1
437.34106	9.1
452.85599	1.1
455.35178	2.7
469.32922	1.1
511.37738	3.7
529.38934	100.0
529.50018	5.5
530.39185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2635
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
55.05496	1.1
57.03418	0.7
67.05508	3.2
69.03413	2.0
69.07041	1.9
69.48912	5.1
73.02900	3.2
79.05473	1.2
81.07034	2.7
85.02914	5.2
91.05465	1.4
93.07014	2.2
93.98100	0.6
95.08602	32.2
97.02879	1.3
97.06516	0.7
105.07030	1.8
107.08574	1.5
109.10135	1.3
111.08057	0.9
119.08557	2.4
120.23161	0.6
121.06477	1.1
121.10146	1.5
123.08045	4.9
127.03902	1.6
133.10103	1.9
135.08061	0.7
135.11665	0.9
137.09631	9.7
147.08099	1.3
147.11635	1.6
161.09583	3.1
175.11172	1.3
189.16383	3.7
199.14790	0.8
217.15872	100.0
235.16917	32.9
235.19301	1.5
274.48218	0.8
275.07434	1.0
332.06348	0.8
335.09500	4.6
397.22156	17.6
529.26190	93.1
530.26685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2646
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
53.03935	0.7
55.05498	1.4
56.02384	0.5
57.03428	0.8
57.07055	0.5
57.13264	0.6
61.02911	0.6
62.31465	0.6
67.05483	1.9
69.03426	3.2
69.07071	3.2
69.94952	2.9
71.04964	0.8
73.02911	0.8
77.13160	0.6
79.05497	3.6
81.03361	0.7
81.07058	7.3
85.02918	4.3
85.06556	0.5
90.45837	0.7
91.05468	4.4
93.07042	9.3
95.04949	0.8
95.08602	7.2
97.02883	1.3
97.06520	2.5
98.24112	0.5
102.24784	0.5
105.07032	10.4
105.19032	0.5
107.04942	1.5
107.08598	6.2
109.02885	0.7
109.06502	2.1
109.10115	2.9
111.08086	5.5
117.07017	1.5
119.08584	11.0
121.06480	1.4
121.10147	5.2
123.08050	3.4
125.09604	0.8
127.03912	1.2
129.07010	1.2
131.08563	2.5
133.10126	7.7
134.97701	0.5
135.04361	0.6
135.08040	1.4
137.09587	2.2
143.08548	2.9
145.04958	1.5
145.10110	2.3
147.08038	2.0
147.11673	6.3
148.62238	0.6
149.09622	0.9
149.13228	0.8
157.10130	5.7
159.11693	6.5
161.09619	4.3
161.13217	1.8
163.11151	1.1
165.09161	0.6
171.11702	1.0
173.13251	2.9
175.11145	2.3
175.14795	3.8
177.12721	4.9
189.12779	1.0
189.16338	3.2
199.14813	4.8
217.15881	9.0
235.16922	100.0
236.17339	0.8
260.34641	0.6
497.16910	0.6
517.60004	0.6
529.25854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01879	9.9
55.05512	29.2
57.03172	2.8
57.03433	25.8
59.05008	3.8
67.05504	39.5
69.03422	5.5
69.07069	12.1
69.43512	18.5
71.04982	12.4
77.99209	1.9
79.05488	42.5
81.03416	79.0
81.07054	47.0
83.01346	9.4
83.04974	28.7
83.08615	28.5
85.02901	22.6
85.06513	3.6
89.37090	2.3
91.05480	41.2
92.25116	2.4
93.07042	39.6
95.04971	31.3
95.08599	16.6
97.02875	7.1
97.06544	6.1
97.10191	3.9
99.04424	3.0
105.07030	38.0
107.04953	15.5
107.08595	22.7
109.06531	11.4
109.10166	6.4
111.04400	3.5
111.08075	10.0
117.07043	10.1
119.08562	27.3
121.06504	3.9
121.10117	16.2
123.08047	10.3
125.09634	3.7
129.06990	14.8
131.08572	16.5
133.06477	3.9
133.10109	14.2
135.07990	2.3
135.11684	12.1
137.09610	2.4
142.07854	3.2
145.10132	16.2
147.08063	5.3
147.11664	16.4
149.09601	6.4
153.12715	3.0
157.10104	15.1
163.11197	26.0
163.14871	2.2
165.12755	2.5
173.09538	2.7
175.11156	13.7
181.12236	4.3
191.10634	2.8
193.12236	55.1
209.11633	10.5
211.11293	3.9
211.13301	79.9
225.30154	2.4
227.12747	5.1
232.92879	1.9
246.20787	2.6
267.15897	17.2
283.15390	100.0
285.16983	53.9
285.20123	2.7
309.50293	2.3
441.98370	2.4
475.26889	14.5
493.27945	72.9
498.06430	2.2
500.07578	2.3
528.34113	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44765	0.3
56.06237	0.3
70.95522	1.0
81.07023	0.3
93.07034	0.5
95.08589	0.9
121.10182	0.6
125.25551	0.4
155.03159	0.4
173.02916	0.4
194.54396	0.3
203.05313	1.4
251.32982	0.4
275.07590	1.7
298.25815	0.3
333.07874	3.1
335.09476	18.8
336.09738	0.7
337.09955	0.5
393.97119	0.4
397.21808	0.7
453.37659	0.3
463.75284	0.4
529.26196	100.0
530.26703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50251	0.5
55.01854	0.6
55.05497	2.1
57.03427	0.9
57.59906	0.5
60.81253	0.5
61.02919	0.6
64.17657	0.5
65.03941	0.5
67.05492	1.9
69.03441	2.7
69.06718	0.6
69.07066	7.4
69.48215	0.6
70.11864	1.6
71.04974	0.9
73.02926	2.5
75.40292	0.5
79.05508	1.3
81.03385	0.8
81.06684	0.4
81.07063	3.9
83.04980	1.2
83.08591	1.3
85.02911	4.7
91.05467	1.7
92.83225	0.5
93.07035	3.8
95.04935	1.0
95.08607	6.8
97.02878	2.3
97.06496	0.7
105.07027	7.7
107.08604	5.9
109.02843	0.9
109.06515	1.2
109.10169	6.7
111.08047	1.1
113.03374	0.5
115.03919	0.5
117.07020	0.9
119.08573	8.2
121.06459	0.6
121.10139	3.0
123.08098	0.9
123.11673	1.0
125.05971	0.7
125.09711	0.6
127.03899	0.7
131.08524	0.9
133.06477	1.6
133.10123	9.0
135.11690	0.6
137.05960	0.7
137.09610	1.6
143.08513	1.3
145.04930	1.1
145.10117	1.2
147.08044	1.7
147.11673	6.6
149.09598	1.2
149.13231	0.6
153.05447	0.7
157.10114	1.3
159.11673	1.3
160.08783	0.5
161.09572	2.4
161.13206	1.1
167.06973	1.0
171.11681	1.0
173.08142	0.6
173.13232	0.8
175.11218	2.4
175.14737	1.2
189.16382	33.5
192.39508	0.5
199.14972	0.8
213.16374	0.5
216.14835	0.5
217.15874	100.0
218.16136	1.1
235.16905	11.7
272.68649	0.6
299.33710	0.5
305.59085	0.5
307.13873	0.5
349.20047	0.8
397.22208	2.0
491.45090	0.5
494.98813	0.5
529.25983	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	528.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.2
55.05500	6.0
67.05498	9.2
69.03431	5.3
69.05171	3.8
69.07054	8.6
71.61283	6.5
72.08156	7.2
74.06087	5.0
77.40704	3.8
79.05479	5.9
81.03422	4.4
81.07053	17.9
83.32261	4.4
85.02861	8.7
85.06491	4.0
91.05463	7.0
93.07027	8.9
95.08604	9.9
96.08129	7.1
97.02911	5.1
103.29106	3.5
105.07053	4.0
107.08546	4.7
108.08088	5.5
109.02867	4.7
109.10152	7.9
109.68126	3.8
119.08509	5.1
121.10123	4.4
123.11729	5.9
124.07606	58.3
125.08350	6.7
125.09618	4.6
126.09151	44.8
138.09137	4.8
146.06007	4.9
150.09146	4.9
158.08406	5.9
164.10732	15.7
165.07346	3.8
171.09200	8.5
173.07166	5.2
174.09203	4.6
183.09048	4.0
185.07080	5.3
189.06509	4.2
192.10233	30.6
199.08656	19.8
200.09398	7.6
201.06602	16.3
201.10226	7.6
211.08627	4.6
215.08170	8.8
215.16313	6.7
217.09738	8.2
227.08095	14.3
228.08963	5.2
229.06114	6.1
229.09662	14.4
230.07115	5.4
231.07689	8.4
231.11337	8.1
239.08057	5.5
241.09750	8.7
243.07596	9.5
245.09210	14.4
245.11728	18.2
255.07693	15.8
256.08469	13.3
257.05563	12.5
257.09201	94.8
259.07040	5.0
259.10916	5.2
263.12598	8.2
269.09128	6.0
271.07117	5.3
273.08704	38.5
274.09558	7.0
283.07193	34.2
285.08713	57.4
286.09488	18.5
287.10196	53.2
297.08685	15.9
298.09348	5.3
299.10193	14.4
301.08185	28.5
303.09811	11.8
315.09708	27.0
325.08249	8.8
327.09790	14.4
329.07648	27.2
329.11322	19.2
335.09579	4.7
343.09164	24.6
345.11011	5.3
351.13446	34.3
394.17661	5.8
422.17004	21.0
423.11719	13.9
424.18610	11.8
426.20215	5.8
440.18051	5.8
450.16663	31.9
452.18219	80.8
454.19830	51.3
468.17587	17.4
478.16150	19.3
482.19281	41.9
496.17114	100.0
510.18576	23.3
511.69760	5.3
528.25421	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	528.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35637	1.0
55.01854	2.5
55.05513	6.2
57.03441	5.7
57.07080	13.1
59.04980	1.5
61.02903	4.1
62.68058	0.9
67.05495	1.8
69.03130	0.9
69.03429	11.1
69.07067	45.6
69.64511	2.1
69.64917	5.9
71.01361	1.1
71.04981	4.5
71.08625	6.7
73.02917	23.8
73.06550	9.3
81.03419	1.6
83.08610	2.1
84.31700	0.9
85.02415	1.8
85.02903	27.5
85.10149	3.2
87.04445	1.9
89.06029	29.3
97.02888	17.4
99.04442	1.0
99.11720	1.8
109.02866	2.0
111.11717	75.9
114.17476	0.9
115.03926	7.7
127.03918	7.2
129.12753	100.0
133.04971	7.4
145.04965	7.7
145.15416	1.0
162.19713	1.0
163.06006	2.3
163.70840	1.0
199.16939	22.3
217.17967	30.0
241.07030	1.7
259.07986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05510	7.5
57.03435	5.2
57.03676	1.2
57.07074	12.7
59.04990	3.0
61.02934	2.4
67.05498	1.6
67.64014	1.0
69.03425	11.1
69.07068	49.9
70.31474	3.4
71.01344	1.4
71.04980	4.7
71.08630	9.1
73.02914	19.5
73.06551	8.4
81.03455	1.5
83.08601	2.8
85.02906	21.3
85.10179	4.7
87.04459	1.7
89.06037	30.9
97.02884	16.0
99.04456	1.1
109.02829	2.4
111.11720	83.8
115.03938	8.2
127.03900	5.0
129.12758	100.0
133.04936	9.4
145.04929	7.3
163.06042	1.8
199.16934	20.5
217.17996	27.3
223.05930	1.1
241.07025	1.4
259.07974	1.3
364.53964	1.1
374.47028	1.2
528.32288	1.5
529.33295	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36936	0.2
67.05502	0.3
69.03408	0.2
69.07053	0.2
70.29826	0.8
79.05476	0.2
81.07063	0.5
83.04983	0.3
85.02906	0.2
93.07010	0.4
95.08596	0.2
97.06488	0.2
105.07054	0.3
107.08578	0.4
110.07674	0.2
117.76898	0.2
119.08569	0.3
121.10121	0.2
123.08044	0.5
129.81511	0.2
135.11726	0.3
138.09135	0.4
151.93080	0.2
233.19154	0.2
275.07416	0.5
317.08334	0.3
335.09583	1.1
395.20401	11.4
527.24622	100.0
528.24939	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	527.3348
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
53.62746	0.4
55.05504	1.2
67.05499	1.4
69.07075	0.7
71.60562	0.5
71.60936	0.5
76.52123	0.4
79.05502	1.0
81.03426	1.1
81.07060	1.3
91.05495	0.7
93.07058	1.4
95.05007	0.6
95.08601	1.2
99.20081	0.4
105.07023	1.1
107.08630	1.2
109.10191	1.4
119.08594	1.2
121.10168	1.3
123.11736	0.6
131.08626	0.5
133.10167	0.9
134.70699	0.4
143.08540	0.4
145.10089	0.8
147.11694	0.9
149.13222	0.6
155.61310	0.4
169.01862	0.4
171.11720	0.6
173.13245	0.5
202.89067	0.4
289.17786	0.6
509.32315	0.9
527.33533	100.0
528.33893	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	526.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05496	4.2
57.07077	66.1
57.63905	1.8
67.05489	5.3
69.07075	10.0
70.07373	1.8
71.08630	58.4
71.61520	3.1
73.06551	3.5
79.05482	2.5
81.03403	7.4
81.07045	5.8
82.07352	2.4
83.04993	2.5
83.08610	7.2
84.08936	1.9
84.86745	1.7
85.02927	1.6
85.10182	34.8
85.10674	1.3
87.04468	3.6
89.06033	100.0
91.05473	4.9
92.05770	1.8
93.07021	5.4
93.71223	1.7
95.08609	5.7
97.10165	6.0
99.11723	7.7
105.07020	4.0
107.07046	2.4
107.08579	2.8
109.10136	3.5
111.11703	4.3
113.13268	7.0
117.09180	4.0
119.08577	3.0
121.10128	2.7
124.06931	1.6
125.13258	2.2
127.14894	2.1
129.06955	2.1
130.08669	3.4
131.07097	1.7
131.08546	2.0
133.08601	62.3
133.10117	2.4
157.10085	2.4
176.92403	1.9
177.11203	26.6
183.21017	2.0
194.12587	3.4
195.12665	1.9
211.13335	2.0
212.13707	2.6
213.13799	2.5
221.13814	6.8
239.14911	3.5
265.16357	2.1
271.26364	4.2
283.17422	4.4
315.28995	3.4
327.20145	19.3
509.40576	15.0
526.41901	10.4
527.37146	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	527.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44738	0.4
67.05500	0.6
67.11489	0.3
69.03431	0.3
69.07054	0.5
69.43707	0.9
69.44128	1.5
71.05006	0.3
79.05494	0.3
81.07065	0.6
82.05383	0.3
85.02895	0.8
93.07056	0.6
95.04959	0.3
95.08616	0.6
99.08126	0.3
105.07059	0.3
107.08583	0.5
109.10149	0.5
134.93942	0.3
275.07382	0.5
307.22238	0.3
333.08240	0.3
335.09561	0.9
395.20190	2.7
413.19785	0.3
527.24646	100.0
528.24915	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	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
63.36104	0.4
67.05506	1.3
69.03432	0.8
69.07056	0.9
71.61933	0.4
79.05489	0.7
81.07063	2.0
83.04971	0.6
83.08618	0.5
85.02926	0.3
91.05479	0.6
93.07034	1.7
95.04982	0.6
95.08614	1.3
97.02901	0.4
97.06470	0.5
105.07018	0.9
107.04932	0.4
107.08603	1.3
109.06538	0.5
109.10175	1.2
119.08607	1.5
121.10123	0.8
123.08107	0.4
123.11728	0.5
125.09660	0.6
125.39394	0.3
131.08536	0.4
133.10138	0.7
135.08096	0.4
135.11711	0.5
137.05974	0.4
145.10165	0.6
147.11644	0.5
151.11253	0.4
159.08026	0.5
163.03922	0.4
167.07069	0.4
174.30672	0.3
177.09123	0.4
177.11345	0.4
191.76642	0.3
201.12589	0.4
203.05286	1.2
232.32961	0.3
240.78920	0.3
275.07410	2.1
333.07959	4.0
335.09485	13.6
335.13599	0.7
347.22015	0.5
395.20392	2.3
430.32034	0.4
433.99030	0.4
455.27704	0.5
473.29089	0.4
483.25925	0.5
509.23141	0.4
527.24652	100.0
528.25037	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	526.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01872	6.2
55.05515	11.5
56.87673	0.8
57.03436	7.3
59.04989	1.4
65.03939	1.0
67.05508	9.8
67.92056	0.9
68.07368	1.0
69.03436	1.5
69.07069	2.7
70.15359	4.3
71.01348	1.2
71.04984	2.1
78.00553	1.2
79.05491	15.4
81.03409	7.7
81.07057	13.0
83.01343	6.9
83.04981	8.2
83.08621	7.5
85.02894	3.2
91.05486	8.5
93.07043	17.4
95.04980	5.1
95.08605	6.3
97.02885	2.5
97.06517	3.1
97.10186	1.8
98.20869	1.2
99.04439	1.3
105.07021	6.6
107.04953	6.0
107.08574	9.1
109.06504	5.1
109.10162	1.9
111.04449	2.4
111.08083	2.2
117.07051	5.3
117.66489	0.9
119.08588	7.0
121.06511	2.7
121.10147	6.0
123.08074	6.0
125.05974	1.3
125.09667	1.4
129.07040	1.1
130.07793	1.0
131.08528	2.9
135.08052	1.9
135.11708	7.7
137.09615	1.1
143.08560	1.0
145.10130	12.2
147.08057	1.7
153.12714	2.0
155.08490	1.7
163.11185	18.7
173.09601	2.3
181.12210	2.0
191.10603	2.4
209.11719	7.8
227.12727	3.1
283.15393	100.0
284.16083	1.0
287.94421	1.0
491.26462	26.7
526.32098	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65759	1.7
53.03940	5.8
55.05505	6.9
56.96574	1.9
57.03426	4.3
59.05003	4.7
59.13690	1.5
60.04511	7.5
61.02932	1.9
66.63265	1.6
67.05499	5.5
67.43735	1.8
68.68202	1.8
68.96631	1.8
69.03426	23.2
69.07069	14.8
69.81753	9.1
71.04994	16.1
73.02921	2.7
79.05491	11.1
81.03417	16.9
81.07060	35.5
83.04990	14.5
84.08087	1.9
85.02905	67.1
86.09682	2.0
91.05450	5.1
93.07040	14.7
93.42474	1.9
95.04958	7.2
95.08606	21.7
97.02892	25.1
97.06535	8.4
97.10132	2.8
98.97569	6.5
99.04451	34.9
103.03943	69.1
103.05442	2.2
105.07017	5.1
107.08597	34.2
109.02876	27.7
109.06525	6.7
109.10167	18.2
111.11729	7.1
113.09642	1.9
121.06500	3.3
121.10135	31.4
123.08057	11.2
123.11654	2.1
125.05987	2.8
125.09633	28.7
127.03915	87.4
131.08574	3.1
135.07938	2.9
136.08849	6.3
137.09596	13.6
139.11182	35.7
145.04961	47.9
149.09662	9.7
151.07666	2.3
151.11162	2.1
154.05016	2.2
155.10683	10.9
157.12218	8.5
161.89368	1.7
163.06027	44.5
167.10680	73.6
169.12279	3.4
185.11726	91.9
187.05981	4.3
189.52797	1.9
203.12779	100.0
205.07062	3.9
219.01755	2.6
223.06340	1.8
253.06964	3.2
271.08130	8.6
275.12753	2.2
282.46756	2.0
289.09183	10.4
307.10242	25.5
331.10355	2.1
346.25839	3.7
364.26862	3.6
491.21173	9.2
526.16510	4.9
526.32104	3.3
543.42297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01862	1.3
55.05282	0.5
55.05509	4.5
57.03436	3.3
57.07073	2.6
57.93880	0.5
59.04993	0.5
60.40039	0.5
61.02911	1.4
67.05166	1.0
67.05504	13.7
69.03436	4.5
69.07050	4.5
69.67429	2.8
71.04974	1.7
73.02918	9.6
79.05483	3.9
81.03410	0.6
81.07055	35.9
82.07365	0.9
83.04945	0.8
83.08603	2.3
85.02905	9.3
85.06532	3.1
87.04409	0.7
91.05464	2.2
93.07027	3.7
94.07372	0.8
95.04910	0.6
95.08605	24.9
97.02894	5.7
97.06509	2.3
97.10159	1.6
99.04471	1.0
99.08074	1.0
105.07024	4.0
107.08575	2.3
109.02854	0.7
109.06434	0.6
109.10130	5.2
110.10468	1.2
111.08088	0.8
113.06016	0.9
115.03898	2.4
119.08595	4.9
121.10144	2.6
123.08031	2.0
123.11728	0.8
124.12062	0.8
125.09596	1.0
127.03905	1.6
129.89473	0.5
133.04984	2.5
133.10107	3.0
135.11676	8.7
137.13255	58.2
138.09213	0.6
141.09085	0.6
145.04999	2.4
148.61664	0.5
149.13235	1.7
150.07623	0.8
150.13571	0.8
151.14781	0.8
161.13278	9.9
163.05962	0.9
179.14320	11.9
197.15396	8.2
214.48917	0.6
215.16426	100.0
223.06189	0.6
232.71748	0.6
249.04051	0.6
257.35767	0.5
270.73608	0.6
280.27042	0.6
285.08621	0.8
292.27197	1.5
309.27792	0.7
310.28339	1.3
328.29218	0.7
526.22852	1.8
526.34241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.5
63.65040	1.9
67.05503	6.2
69.07057	5.8
69.92303	8.5
69.92697	3.7
79.05480	4.9
81.07060	16.6
83.08633	4.0
85.02894	7.1
85.06523	5.0
87.45137	2.0
89.29882	1.5
91.05501	2.7
93.07037	6.0
95.08607	12.5
97.02851	3.3
98.20789	2.3
99.08072	4.9
105.07007	2.5
107.08604	14.2
109.10139	13.3
111.08073	2.2
119.08575	2.1
121.10146	7.3
123.11701	7.2
125.09548	2.1
127.03890	3.5
127.11198	2.0
135.11662	4.5
137.13263	3.1
149.13252	7.2
163.14807	3.2
165.09140	1.7
177.16492	4.4
199.12315	3.0
203.05182	2.2
219.10399	1.8
273.25720	2.8
291.26901	8.9
309.27875	4.2
333.08102	3.1
335.09451	27.8
374.40491	1.6
525.23083	100.0
526.23138	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13347	3.3
55.05511	14.1
56.90201	3.1
57.07077	8.5
67.05512	23.7
69.03442	5.3
69.07069	34.0
70.13042	11.6
71.04976	5.5
79.05496	11.9
81.07058	100.0
83.08627	14.8
85.02906	10.9
85.06541	35.3
91.05475	4.1
93.07041	35.2
95.08611	62.9
97.10177	7.0
99.08089	22.2
105.06994	11.1
107.08601	39.5
109.10164	53.5
111.08103	8.1
113.09570	3.8
115.41341	3.7
119.08604	6.3
121.10152	21.6
123.11713	29.6
125.09636	7.3
127.11214	3.2
133.10085	5.8
135.11697	14.8
137.13243	12.7
139.11172	13.0
149.13245	38.5
151.14844	3.7
153.12767	5.0
163.14838	14.3
165.16367	4.5
167.14323	15.8
171.13797	23.3
175.98764	3.5
177.16345	7.2
199.58438	4.2
215.16431	4.7
273.25778	5.3
279.26846	8.4
291.26816	39.7
297.27859	18.7
309.27890	35.7
327.28967	18.0
345.29944	8.0
483.95224	3.2
525.22998	9.9
525.34149	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87254	0.4
56.31306	0.5
69.76486	2.4
79.05495	1.0
81.07067	1.1
82.34289	0.4
85.06567	0.4
91.05497	1.1
93.07101	0.7
95.08621	0.7
98.20573	0.4
98.97588	0.8
102.65181	0.4
105.07026	1.1
107.08611	1.0
107.75610	0.4
109.06523	0.5
109.10204	0.6
117.07053	0.6
119.08571	0.5
121.10177	0.6
125.09644	0.5
127.03940	0.5
131.08577	1.3
133.10141	0.8
137.06006	0.6
137.54410	0.4
143.08595	0.7
145.10110	0.5
158.10941	0.5
179.77219	0.4
191.14374	0.5
203.05330	1.9
217.08633	0.5
219.01906	0.4
233.56709	0.4
245.06458	0.6
275.07413	1.6
298.17569	0.4
330.79797	0.4
333.08075	2.0
335.09476	22.7
354.97092	0.4
393.18835	1.1
525.23090	100.0
526.23730	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	525.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69987	6.4
55.01884	6.8
56.96566	14.1
66.95101	5.7
69.03424	16.1
69.07057	17.9
70.06583	14.2
70.65594	11.6
71.04967	7.1
73.02916	15.0
77.34456	7.5
79.05491	16.6
81.03387	6.4
81.07049	17.2
83.05013	6.2
84.09065	6.6
85.02892	28.8
87.04459	10.4
91.05474	16.8
93.07043	19.2
95.04945	8.4
95.08597	22.7
97.02872	26.8
97.06490	7.4
98.21397	8.6
98.97590	32.9
99.08112	11.6
105.07032	9.8
107.08606	35.6
109.02895	7.5
109.10168	11.4
110.97592	6.5
115.03904	8.3
116.98527	8.2
118.97432	6.5
119.08532	10.8
121.10142	36.5
125.09590	11.9
127.03918	13.1
128.98531	8.4
135.11629	9.7
136.07513	5.8
137.05965	11.9
160.10953	5.8
163.03879	10.4
167.07024	13.1
177.16376	100.0
191.31375	5.8
195.17409	30.7
213.18510	22.4
215.51363	6.3
219.01773	9.2
237.02739	11.5
319.09628	7.2
403.73892	6.9
451.14441	8.1
483.66852	7.2
525.15167	61.5
525.22809	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	525.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01863	2.9
55.05511	18.6
57.03430	5.1
57.07063	1.9
63.08327	1.4
65.03942	1.6
67.05505	30.6
69.07068	14.5
69.98240	1.5
70.15430	4.6
71.04972	3.6
79.05484	18.3
81.03398	1.5
81.07056	27.4
83.04985	2.8
83.08611	5.8
85.06535	4.5
91.05487	23.1
93.07041	18.7
95.04974	2.6
95.08602	22.7
97.06509	3.7
97.10159	4.0
98.20851	2.2
103.05417	1.8
105.07023	15.4
107.04945	2.0
107.08607	12.1
109.06529	2.7
109.10163	11.5
111.08070	1.5
115.05424	2.4
117.07028	11.8
119.08582	18.4
121.10145	7.1
123.08076	3.9
123.11697	3.4
125.09612	3.2
128.06224	4.8
129.07030	18.9
131.08580	17.0
133.10118	12.0
135.08041	2.0
135.11671	3.1
139.11165	1.6
141.06992	10.4
142.07774	5.9
143.08560	20.7
145.10114	18.0
147.11667	5.7
149.13255	1.9
153.07018	2.6
154.07765	3.7
155.08556	22.3
156.09349	3.3
157.10107	18.1
159.11691	11.4
161.09431	1.4
161.13319	1.6
163.11160	1.4
165.07022	4.6
166.07800	1.9
167.08569	13.4
168.09372	3.5
169.10124	23.0
171.11678	14.8
173.11797	1.5
173.13272	4.9
175.11205	1.4
179.08498	4.0
180.09326	2.5
181.10146	13.2
182.10847	2.0
183.11665	23.8
185.13281	11.2
187.14877	2.9
191.08499	1.6
193.10094	6.3
193.11972	1.7
194.10951	1.4
195.11688	18.5
197.13255	16.5
199.14799	5.9
205.10211	2.8
207.11787	6.7
209.13268	13.9
211.14830	7.7
213.16435	3.0
219.11732	4.0
221.13255	6.1
223.14835	10.6
225.16344	3.0
233.13303	3.5
235.14799	5.7
237.16394	3.8
247.14796	2.5
249.16196	1.8
251.17982	1.9
283.20694	1.9
293.19125	1.8
295.20517	2.6
297.21783	1.9
307.20425	1.9
309.22104	3.6
321.22025	4.9
325.21689	1.9
327.22903	2.2
335.23749	3.7
347.23801	2.6
351.23044	1.7
353.24844	2.4
415.29855	9.5
433.31003	32.2
451.32025	14.9
469.33185	6.1
489.33469	5.0
507.35602	12.3
525.36713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.4
56.96543	11.4
57.03430	14.0
57.07060	7.5
61.02922	10.7
62.58212	7.7
67.05498	16.9
69.03426	28.9
69.07066	33.9
69.36739	22.4
69.37146	47.9
73.02904	24.6
79.05482	18.4
80.68417	9.1
81.07059	59.9
83.04996	9.3
83.08611	19.7
85.02909	62.1
85.06511	14.7
91.28644	7.3
93.07042	31.1
95.08600	67.3
97.02885	36.6
97.46420	8.5
98.97580	24.6
99.08079	48.1
100.42736	8.8
100.66843	7.4
105.07049	15.8
107.08588	34.9
109.10147	32.7
110.10478	9.2
111.08110	18.2
115.03903	14.0
119.08543	21.4
121.10152	42.9
123.11703	23.8
127.03918	18.1
133.04950	25.2
135.11682	17.4
136.07590	21.3
136.85506	7.3
137.05992	7.6
145.04951	19.3
175.14763	7.7
177.00914	8.2
177.16385	99.1
180.10176	67.3
191.69424	7.8
191.94518	8.9
194.25050	7.3
195.17470	100.0
213.18533	18.7
281.81873	9.2
325.64963	8.8
334.23694	26.8
343.64188	9.2
368.50494	8.9
375.46652	8.5
391.07150	8.3
464.18692	9.5
488.27023	8.5
488.33679	15.5
506.20090	9.2
524.20374	35.8
524.35016	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.86277	0.3
55.05502	1.1
56.05029	1.5
57.03436	0.6
57.07081	3.5
57.18877	0.3
58.06599	1.3
59.07384	0.4
60.08163	16.4
67.05503	1.4
69.07063	1.0
69.39257	1.7
69.39679	1.3
71.07372	6.1
71.08643	1.7
71.09009	0.3
81.03434	1.0
81.04137	0.3
81.07053	1.5
83.08611	1.2
85.02897	0.4
85.10166	1.2
86.09705	49.6
91.05480	0.4
95.04980	0.7
95.08625	1.1
97.10213	0.6
98.21382	0.9
98.98463	3.8
104.10743	99.0
105.07040	0.4
105.11134	0.4
109.10139	0.9
119.08589	0.5
125.00005	27.4
147.11714	0.6
163.01518	0.4
184.07339	100.0
185.07764	0.4
193.12303	1.1
194.12584	0.6
207.94507	0.4
211.13319	0.9
212.13602	0.7
258.10977	0.8
279.54831	0.4
317.96698	0.4
341.30441	1.7
506.36069	10.1
524.37079	29.7
525.36798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82761	0.8
56.96553	3.0
58.27490	0.8
65.75282	0.8
69.31567	2.6
69.31981	5.4
71.95250	1.1
81.03380	0.9
83.08995	0.9
98.97585	65.8
105.37612	0.8
116.98634	34.2
134.99680	11.5
140.00232	0.8
192.98912	1.0
216.98917	3.5
219.02078	1.2
222.97815	1.1
234.99940	6.9
236.00060	1.1
240.98787	9.9
253.01176	0.9
256.96857	1.6
258.99844	81.8
260.00037	2.5
261.03174	2.6
264.99216	1.2
274.97638	4.5
275.98105	1.7
277.00876	72.0
278.01175	2.4
282.99982	32.7
284.00189	2.3
292.98993	1.8
298.97858	3.7
299.97772	1.9
300.02823	1.2
301.01050	28.8
302.01196	1.8
303.01144	1.0
316.98947	7.0
317.99097	1.8
318.98840	1.1
319.02258	1.1
322.98203	1.3
335.00433	1.6
340.99228	1.0
357.97012	1.0
359.00116	15.3
360.00244	1.4
364.99393	2.8
383.00009	32.6
384.00000	1.9
401.01105	100.0
402.01422	5.7
419.02426	6.5
424.02676	3.2
425.01099	4.2
440.99191	2.0
441.99173	2.5
443.02393	5.0
460.00082	1.7
500.97906	1.1
507.00266	7.1
525.01331	69.7
526.01276	6.1
542.98962	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	524.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.3
55.01864	1.7
55.05506	7.7
55.27038	1.1
57.03424	4.1
57.07066	2.5
61.02936	2.8
62.76026	1.0
67.05488	5.5
69.03432	6.3
69.07062	12.3
69.28738	10.6
71.49187	1.1
73.02917	18.2
76.52253	1.3
79.05477	7.0
81.03400	1.3
81.07058	13.9
83.08617	6.5
85.02901	19.7
89.88900	1.2
91.05471	6.0
93.07041	21.1
95.08599	36.5
97.02881	12.9
97.06599	1.0
97.10149	4.8
98.26608	1.2
105.07038	6.9
107.08588	48.4
109.02848	2.6
109.06456	2.1
109.10163	9.4
115.03940	6.5
119.08578	2.4
121.10137	77.4
123.11691	4.8
125.09598	1.8
127.03907	5.9
129.15852	1.1
133.04968	11.2
135.11699	18.9
137.13255	32.5
139.11153	4.7
145.04948	10.6
149.13234	7.6
163.06003	9.7
166.76675	1.3
177.16377	100.0
195.17468	18.5
203.19786	1.3
212.07542	1.3
223.05980	2.3
241.07042	4.9
259.08145	7.6
268.25394	1.2
277.09155	1.8
295.10291	5.2
418.01907	1.3
440.83762	1.3
476.38431	1.5
533.57629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21616	2.1
53.03937	2.3
55.01867	7.7
55.05503	6.4
57.03419	8.5
59.04983	2.2
61.02936	3.2
63.37056	1.9
67.05499	7.4
69.03430	21.5
69.07050	12.2
71.01353	3.0
71.04990	2.5
71.22353	3.4
71.22692	3.3
73.02921	26.1
79.05470	4.1
81.03429	4.4
81.07051	12.9
83.04963	2.7
83.08601	6.4
85.02905	44.5
85.06531	3.6
91.03926	2.7
91.05463	2.6
93.07023	8.8
95.04979	2.9
95.08607	39.7
97.02892	33.2
97.06534	3.1
99.04480	3.1
99.08099	42.4
105.06995	5.4
107.08587	21.2
109.02851	4.4
109.10157	12.8
111.08096	20.5
111.11692	3.2
115.03942	13.3
119.08566	4.1
121.06444	2.7
121.10152	35.7
123.11700	9.8
127.03922	17.7
133.04977	23.8
133.10060	3.0
135.11691	7.1
137.06009	2.5
137.13225	5.8
139.03976	2.3
145.04953	15.7
149.13264	6.9
158.29727	2.4
163.06020	9.0
163.14888	4.1
174.47917	2.2
177.16383	100.0
179.05453	2.7
195.17468	37.8
223.06015	3.4
224.06822	2.4
241.07031	4.2
259.08084	5.1
289.09149	2.1
300.63751	2.1
321.20477	2.9
357.22684	5.3
458.75110	2.4
459.34875	2.1
525.22888	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01886	1.6
55.05510	14.4
57.03423	6.6
57.07077	45.9
60.43155	1.3
62.02217	1.4
67.05508	34.1
69.03418	3.2
69.07072	14.5
69.32002	11.6
71.04978	4.0
71.08276	2.1
71.08636	30.5
79.05499	18.0
81.02965	2.6
81.03416	34.7
81.07062	39.2
83.04978	10.0
83.08617	29.9
85.02901	19.0
85.06535	2.5
85.10194	16.4
85.43594	1.3
91.05482	23.0
93.07034	15.7
95.04980	15.6
95.08610	35.2
97.02889	2.6
97.06533	3.0
97.10172	10.2
97.81936	1.3
99.11764	1.4
105.07039	13.7
107.04955	3.2
107.08606	6.2
109.06532	3.6
109.10168	13.6
111.04439	1.6
111.08115	7.2
113.05998	1.7
119.08583	14.3
121.10169	7.4
121.71982	1.6
123.08043	3.3
123.11717	6.9
129.07008	5.3
131.08557	8.7
133.10139	5.4
137.13266	3.1
142.07802	3.0
145.10114	2.1
147.11705	10.6
149.09662	3.1
157.10136	9.2
159.95581	1.4
165.12741	2.3
175.11172	12.6
193.12257	41.1
211.13301	45.6
239.23671	8.2
244.36220	1.6
267.15955	5.2
312.72452	1.5
313.27451	4.1
473.36954	1.8
505.39380	2.0
523.39954	100.0
523.60681	2.6
524.39954	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
57.93084	1.3
61.02917	3.1
62.74309	1.4
69.03436	7.4
69.91005	6.9
70.29636	1.2
73.02887	1.3
81.03418	2.5
85.02901	35.9
97.02899	10.1
98.97563	2.2
109.02887	3.0
115.61713	1.3
123.04430	100.0
127.03911	8.7
137.05986	5.5
145.04964	10.6
147.04393	1.5
163.03909	2.7
163.06021	3.1
165.05481	67.5
176.31146	1.4
178.44594	1.4
183.06523	20.9
231.06528	2.9
249.07556	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	1.8
55.05254	1.2
55.05513	16.9
57.03440	9.1
57.07078	47.5
59.04996	1.1
65.03938	1.5
67.05506	34.0
67.05863	1.6
69.03424	2.6
69.07066	14.7
71.04983	3.1
71.08633	35.5
79.05490	19.0
81.03420	46.1
81.07059	35.7
83.04985	10.1
83.08624	28.9
85.02906	25.0
85.03421	1.1
85.06542	2.1
85.09792	0.6
85.10184	19.0
91.05480	21.5
93.07045	12.3
95.04974	20.7
95.08609	34.0
97.02897	2.1
97.06525	2.7
97.10173	8.5
99.08078	1.8
99.11737	1.3
105.07033	15.7
107.04966	3.4
107.08595	5.2
109.06522	2.2
109.10156	15.1
111.04432	2.6
111.08086	9.1
111.11768	1.2
112.34658	0.8
113.06011	2.7
115.05460	1.5
117.06993	1.2
119.04790	0.7
119.08581	14.6
121.10141	6.5
123.08124	1.4
123.11701	5.4
125.09669	1.0
125.13285	1.4
129.07019	6.4
131.08571	8.0
133.06462	2.4
133.10127	5.8
135.08041	0.9
137.09706	1.0
137.13263	3.0
139.14920	0.9
142.07790	2.1
147.08072	2.0
147.11687	11.7
149.09637	3.5
157.10124	8.4
165.12778	2.4
175.11172	11.3
193.12247	48.6
211.13298	52.4
212.13580	1.1
221.22688	0.8
225.78612	0.7
239.23698	7.4
249.14865	0.9
251.63287	0.8
267.15875	6.9
285.17065	1.2
313.27338	5.6
430.95096	1.0
454.63165	0.9
505.39029	2.6
523.39990	100.0
524.40344	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01866	1.6
55.05512	15.4
57.03439	5.9
57.07079	42.6
59.05008	0.7
65.03951	1.3
67.05505	31.4
69.03428	2.0
69.06718	0.7
69.07072	11.4
71.05000	4.1
71.08633	29.8
79.05493	16.7
81.03422	35.7
81.07060	32.6
83.04979	7.3
83.08125	1.4
83.08624	25.8
85.02910	21.5
85.06560	1.6
85.10186	14.8
91.05486	21.0
93.07041	11.4
95.04971	16.9
95.08610	32.6
97.02882	2.3
97.06512	2.2
97.10168	7.7
99.08078	1.0
99.11723	0.9
105.06374	0.8
105.07042	15.4
107.04959	2.9
107.08582	4.1
109.06517	3.1
109.10167	11.9
111.04432	1.4
111.08086	7.1
111.11731	1.5
113.06007	2.1
115.05431	0.7
117.07040	1.7
119.08584	13.5
121.06470	1.2
121.10152	5.9
123.08102	1.8
123.11717	6.4
125.09599	1.0
125.13261	0.9
129.07018	6.7
131.08578	7.2
133.06538	2.0
133.10121	5.2
137.09671	0.7
137.13278	1.6
142.07803	2.5
145.10129	1.7
145.85532	0.6
147.08064	2.3
147.11681	9.9
149.09630	3.5
151.14824	1.6
157.10130	8.2
165.12766	1.8
175.11188	9.6
193.12247	43.1
211.13295	45.7
221.22704	1.1
239.23691	7.0
249.15079	1.5
267.15994	6.4
313.27313	5.1
412.26105	0.6
505.38834	3.8
512.90277	0.6
523.39990	100.0
524.40204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30861	14.3
69.03404	17.2
69.07069	18.8
69.39992	34.9
69.40404	100.0
70.06580	53.3
80.25583	15.3
80.87592	15.2
81.07049	57.7
84.62171	13.7
85.02892	26.1
85.06534	19.6
91.05453	27.6
93.07056	37.9
93.20429	12.5
95.04931	13.7
95.08602	46.6
96.14223	11.6
97.02908	13.4
98.21509	26.8
105.07025	39.1
111.06548	13.1
119.08613	24.7
120.08128	21.8
120.08909	31.8
133.10104	21.4
135.11652	24.3
137.05942	20.1
175.14830	50.7
176.15198	34.6
200.13690	14.0
340.28619	13.0
523.18298	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.0
56.05012	13.0
63.77346	12.5
67.05500	31.1
69.03425	16.9
69.07056	39.7
69.43986	26.2
69.44391	100.0
69.69733	12.2
69.86642	11.6
73.02911	23.4
79.05455	22.9
81.07059	99.0
83.04960	16.2
83.08584	24.7
85.06540	22.0
85.36186	13.0
91.05479	26.2
93.07041	27.7
95.08595	68.1
104.35629	12.2
105.07025	32.9
107.08601	40.0
109.10141	65.2
119.08588	25.5
121.10124	34.2
123.11750	20.4
125.03403	13.5
125.09645	15.2
127.11170	18.4
133.10170	21.1
135.11649	17.6
137.06046	15.3
147.11667	23.7
167.14256	18.0
175.14815	25.7
176.15187	14.6
211.16928	43.7
229.17995	82.8
523.32874	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01858	2.2
55.05514	15.0
57.03449	6.3
57.07078	46.7
65.03948	1.7
67.05504	29.8
69.03425	4.3
69.07072	13.8
69.52508	7.3
71.04994	4.1
71.08633	30.6
72.09763	1.0
79.05495	17.6
81.03417	45.0
81.07059	36.3
83.04988	9.0
83.08620	29.7
85.02906	21.3
85.04943	0.8
85.06551	1.5
85.10186	15.9
91.05488	20.9
93.06542	1.3
93.07059	12.2
95.04968	18.7
95.05545	1.8
95.08609	33.2
97.02872	2.2
97.06525	2.7
97.10184	8.5
98.20660	0.9
99.08063	1.3
103.05446	0.9
103.33100	0.9
105.07031	16.6
107.04980	3.7
107.08585	4.8
109.06521	3.2
109.10162	15.8
109.57803	1.0
111.04478	2.4
111.08083	7.8
111.11714	1.4
113.06010	2.2
115.05482	1.0
117.07066	1.3
119.08588	13.0
121.06458	1.6
121.10151	7.9
123.08070	1.6
123.11705	6.3
125.13275	1.9
129.06998	7.5
131.08594	6.8
133.06503	1.9
133.10158	5.0
135.11717	1.0
137.13248	2.2
142.07803	1.2
145.10106	1.1
147.08032	1.5
147.11685	8.6
147.13571	1.0
149.09604	4.5
151.14896	1.3
157.10144	8.1
165.12804	2.4
175.11182	9.9
193.12250	46.0
194.77077	0.9
198.71364	0.8
211.13295	46.4
239.23698	6.9
249.14868	1.6
265.21234	0.9
267.15948	7.5
313.27454	7.4
344.63229	1.0
359.02264	1.1
459.77155	1.0
488.42722	1.0
505.38910	2.9
523.40045	100.0
524.40332	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	523.2749
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
52.37150	2.9
55.05517	17.0
57.07068	3.5
61.02929	3.6
67.05502	14.0
69.03417	16.2
69.07064	11.5
70.33968	3.9
70.34306	9.8
71.04614	2.9
71.04980	5.1
73.02912	14.2
78.72153	2.8
79.05490	7.9
79.48960	3.4
81.03408	4.6
81.07055	26.4
83.04974	15.7
83.08613	9.8
85.02906	14.4
85.06547	12.2
91.05500	5.6
93.07036	17.0
95.04964	3.1
95.08599	22.3
97.02904	5.6
97.06554	5.5
98.21386	3.4
99.08092	4.5
105.07033	8.9
106.55997	3.0
107.08578	19.2
109.10146	36.2
109.58663	3.5
115.03946	3.5
119.08586	8.2
121.10154	13.4
123.11710	20.9
125.09649	8.4
127.03931	5.3
127.11189	8.6
133.04926	3.6
133.10136	9.3
135.11694	13.2
137.09589	4.6
139.11206	4.9
145.04973	5.6
147.11693	5.0
149.13237	8.5
151.11186	4.5
159.11691	3.9
163.03902	5.9
167.14319	13.1
169.12253	22.1
175.14789	5.6
185.15369	9.4
188.52194	3.0
193.15907	12.4
209.15388	3.2
211.16927	56.5
229.15689	6.0
229.17986	100.0
287.68045	3.7
289.25159	3.3
401.13940	4.9
498.56931	4.1
505.27893	3.5
523.18170	5.3
523.32526	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41943	2.8
55.01868	4.7
55.05520	19.7
57.03437	6.7
57.07076	4.0
59.05015	5.0
64.47405	2.7
67.05508	23.3
69.03438	25.7
69.07061	18.0
70.72497	5.5
70.72837	6.7
71.05000	7.5
73.02914	16.4
79.05505	9.0
79.21325	2.7
81.03409	4.1
81.07056	41.6
83.04968	15.8
83.08622	14.4
85.02903	22.5
85.06538	19.3
91.05479	12.7
93.07049	24.4
95.04977	4.2
95.08611	36.4
97.02885	12.0
97.06536	7.6
97.10170	6.7
99.04478	3.3
99.08095	7.4
105.07040	16.7
107.08611	30.7
109.02886	3.7
109.06534	6.0
109.10151	47.7
111.08096	6.2
111.11745	3.7
115.03918	3.2
117.06991	3.6
119.08586	18.2
119.60255	3.1
121.06483	4.0
121.10142	19.1
123.08039	5.4
123.11696	19.7
125.09603	12.8
127.03924	5.2
127.11182	15.6
131.08556	3.7
133.04962	4.7
133.10149	10.7
135.08006	4.4
135.11707	15.0
137.05940	4.0
139.11157	3.7
145.04961	7.3
145.10094	5.7
147.11676	10.4
149.09596	4.3
149.13249	7.3
151.03798	4.3
151.07538	4.6
151.11241	5.8
159.11743	4.8
159.55240	2.9
161.09427	3.1
161.13254	7.0
163.11234	4.0
163.14845	3.7
167.14314	11.0
169.12239	23.4
171.13817	5.0
175.14801	8.5
184.09319	3.4
185.15414	7.8
188.06831	3.2
193.15895	18.3
194.16212	8.7
211.16917	57.6
229.17982	100.0
253.17957	3.6
295.26596	3.7
307.26318	8.2
321.11792	3.9
325.27289	3.2
329.61642	3.4
391.27911	3.4
523.21399	11.8
523.33069	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	523.2753
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
54.30787	2.9
54.57264	2.8
55.05506	4.2
55.06097	2.7
59.93089	2.9
67.05484	4.9
69.03419	4.1
69.07056	9.6
70.90784	8.2
73.02905	6.2
79.92614	3.1
81.07044	9.7
83.04967	3.8
83.57832	3.2
85.02885	6.9
85.42462	3.0
85.64805	2.9
89.03911	4.3
91.05470	4.4
93.07027	8.4
95.08604	15.1
97.02884	5.1
99.08076	4.2
105.07030	7.8
107.04957	3.9
107.08591	11.6
109.06478	3.3
109.10146	39.3
117.03330	4.8
119.08572	13.1
121.10128	9.3
123.08058	5.7
123.11674	5.7
127.03919	4.4
131.04965	4.3
133.10106	10.5
135.04413	11.6
135.11673	24.8
137.06044	4.7
137.09612	9.5
141.05435	8.7
145.02824	12.3
151.14763	4.4
163.03906	100.0
163.07536	8.5
169.04976	6.3
175.14841	28.7
188.03389	6.0
193.15918	27.2
211.16895	39.5
229.17874	3.3
329.11179	6.5
331.08115	13.9
433.41995	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	1.8
56.05019	1.1
57.01742	0.3
57.03426	0.5
57.07057	0.8
58.06598	1.6
59.07365	0.4
59.10753	0.4
60.08160	17.1
62.35213	0.3
67.05493	2.0
69.07072	2.3
71.07375	6.2
71.08617	0.5
71.61893	0.4
79.05486	1.1
81.07048	2.2
83.08613	2.1
85.02891	0.4
86.09702	48.2
87.10014	0.4
93.07026	1.3
95.08617	1.7
97.10183	0.7
98.98466	4.3
104.10740	100.0
105.07076	0.3
107.08583	0.7
109.10144	1.1
121.10130	0.8
124.99999	26.6
135.11719	0.6
163.01514	0.5
184.07335	93.9
258.11063	1.2
339.28897	1.6
504.34512	8.7
522.35541	27.4
523.35608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
57.07066	1.6
66.83552	0.7
67.05516	3.7
69.07059	7.5
69.94251	4.3
71.04980	3.1
72.08297	0.6
73.02895	0.8
75.84416	0.7
77.24260	0.7
79.05486	3.9
79.12319	0.7
81.03417	0.9
81.07050	12.6
83.08620	6.0
91.05466	3.0
93.07050	9.7
95.04959	1.5
95.08604	21.9
97.02859	0.9
97.06526	1.2
97.10167	1.1
105.07018	6.6
107.08595	31.2
109.06499	2.9
109.10165	8.8
111.08067	1.8
119.08581	7.8
121.10139	39.8
123.08055	1.8
123.11704	1.9
131.08566	2.2
133.10136	14.3
135.11688	14.4
137.09616	1.0
137.13263	8.2
139.07558	1.4
140.87209	0.8
143.08562	1.1
145.10172	3.7
147.11691	4.6
149.09589	2.2
149.13229	3.8
157.10129	1.7
159.11687	3.3
161.09581	1.5
161.13251	4.2
163.11151	1.0
163.14812	1.4
171.11690	2.7
173.09648	1.0
173.13300	4.8
173.73996	0.7
175.14838	13.0
177.16385	100.0
185.13237	1.6
187.11319	0.8
187.14818	3.1
189.12727	2.5
189.16350	2.2
191.14319	2.6
193.15884	3.1
195.17477	4.4
201.16327	1.3
203.14275	1.4
203.17952	1.1
205.15865	3.0
207.13841	1.2
219.17444	10.1
223.16922	20.6
231.17441	2.4
241.15923	1.2
245.15361	1.0
245.19148	0.9
247.16956	5.5
249.18463	1.8
253.19507	0.8
331.14682	0.8
423.26535	0.8
433.31259	4.5
451.32111	29.8
452.32236	1.1
469.33197	42.7
470.34082	1.0
487.34229	16.0
492.28741	0.8
505.35034	3.2
522.30725	1.2
522.37842	6.4
523.30756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.2
56.94485	3.2
57.03419	6.5
57.64218	3.8
58.25040	3.1
67.05502	22.0
68.27798	3.5
69.03428	19.4
69.07058	15.9
70.03682	18.5
71.04985	10.3
73.02900	15.7
79.05495	12.3
81.07062	46.9
83.04985	21.3
83.08609	14.0
85.02896	13.8
85.06543	18.8
91.05466	11.0
93.07048	20.3
95.04971	8.0
95.08598	35.6
95.57622	3.6
97.02892	10.9
97.06538	10.4
97.10161	5.7
99.08080	13.0
105.07033	19.5
107.08585	21.0
109.02825	3.8
109.06516	8.5
109.10153	47.7
111.08059	5.2
111.11743	3.9
115.03954	4.6
119.08574	10.8
121.10138	16.3
123.11708	21.9
125.09630	11.7
127.03880	7.4
127.11194	9.5
131.08574	6.2
133.10124	16.1
135.11649	20.5
137.05922	4.5
137.09619	8.6
139.11188	7.9
145.10143	7.5
147.11684	10.9
149.09653	6.6
149.13260	11.2
151.11227	5.6
157.10054	5.0
159.11662	10.2
161.13286	4.9
163.14836	8.6
165.09059	3.7
167.07036	4.0
167.14302	14.0
169.12289	18.3
173.13297	4.7
175.14804	12.5
177.16405	4.5
185.15315	4.2
187.14687	4.3
193.15887	14.2
194.16199	5.7
195.17461	9.1
211.16904	60.3
213.18518	6.5
218.92606	3.9
229.15717	5.9
229.17986	100.0
229.20145	7.3
280.12140	4.1
289.25241	6.6
305.60150	3.8
307.26218	6.3
343.28323	4.5
360.60114	5.2
487.26709	6.0
494.81763	4.7
523.21484	12.3
523.32867	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05033	0.5
56.51447	0.1
57.03424	0.2
58.06634	0.4
59.07416	0.2
60.08163	6.1
67.05504	0.4
69.07074	0.6
70.06598	0.2
71.07373	3.1
71.12284	0.2
79.05485	0.3
81.07059	0.5
83.08611	0.4
86.09705	29.2
87.10055	0.1
91.05481	0.2
93.07059	0.3
95.08627	0.3
97.19054	0.1
98.98464	2.8
104.10735	3.1
107.08619	0.2
109.10147	0.3
119.08614	0.2
121.10146	0.3
125.00004	20.7
154.78218	0.1
184.07341	100.0
185.07634	0.4
258.11047	0.2
258.48734	0.1
291.86591	0.1
317.57816	0.1
339.28726	0.1
394.28604	0.1
470.88715	0.1
504.34589	1.2
522.29675	0.1
522.35455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
56.96564	0.4
61.02908	1.0
62.46630	0.4
65.05185	0.4
69.03422	1.9
69.34872	3.4
71.04977	0.5
79.05489	0.9
81.03392	1.3
81.67102	0.4
85.02418	0.5
85.02901	7.5
89.03913	4.1
90.08677	0.4
91.05436	0.7
97.02898	2.4
98.97581	1.7
99.04429	0.4
104.40686	0.4
107.04966	2.4
109.02859	0.6
116.98629	0.5
117.03376	6.3
127.03909	1.6
127.97766	0.4
129.12122	0.4
131.04893	0.7
135.04419	14.4
137.05977	0.7
139.03874	0.5
145.02853	12.1
145.04810	2.0
147.04381	1.4
148.04729	0.5
158.99657	0.6
163.03905	100.0
164.04254	0.5
165.09065	0.5
177.05286	0.5
180.08702	0.5
181.04964	43.5
181.08501	1.4
229.08630	1.2
308.91675	0.4
325.09039	0.5
333.92545	0.4
522.22998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10906	0.5
55.05499	2.1
57.07055	1.8
66.02380	0.5
67.05503	5.9
69.03412	1.2
69.07068	5.1
71.61369	0.6
71.61787	0.8
73.02911	2.2
79.05508	1.4
81.07066	5.3
83.08590	1.3
85.02897	1.7
85.06529	1.7
91.05476	4.2
93.07048	3.8
95.08606	15.0
97.02886	0.9
105.07034	9.8
107.08609	4.7
109.06523	0.7
109.09444	1.1
109.10165	19.0
117.07014	1.3
119.08582	38.7
121.10139	3.1
123.11707	1.4
127.03870	0.7
131.08554	1.8
133.10135	43.6
134.10622	0.6
135.11691	7.4
137.09613	7.2
145.10092	2.9
146.10733	0.6
147.10620	1.0
147.11685	10.6
147.16362	0.6
149.13275	3.7
151.14838	3.2
160.12473	2.1
173.13280	0.7
175.14827	100.0
176.15140	0.8
191.14195	0.8
193.15883	22.7
193.17648	1.1
384.42813	0.6
539.78119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05507	5.6
57.03428	2.9
66.02188	1.3
67.05503	4.1
69.03423	4.8
69.07059	13.9
70.61774	4.4
73.02918	14.2
79.05508	4.8
80.46336	1.4
81.07063	8.9
82.46061	1.4
83.08623	5.4
85.02902	12.5
91.05471	4.0
93.07034	10.0
95.08608	17.7
95.20067	1.6
97.02897	8.8
105.07034	16.4
107.08604	15.9
109.10161	10.9
115.03930	2.8
119.08573	20.8
121.10162	19.2
123.11734	2.3
127.03937	4.3
131.08565	2.1
133.04956	4.6
133.10135	6.6
135.11674	7.8
145.04994	4.4
147.11659	5.1
149.13263	6.3
154.31599	1.5
175.14828	100.0
176.15224	2.0
177.16393	86.2
193.15932	4.3
464.98126	1.4
500.46814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
55.05506	3.6
57.03442	6.8
59.04987	1.7
59.27948	0.7
61.02914	2.8
67.05485	2.9
69.03430	12.6
69.07059	5.4
70.98423	1.5
70.98778	1.1
71.05006	3.4
73.02917	16.0
77.58941	0.6
79.05474	2.3
81.03399	2.3
81.07051	6.7
83.08599	3.0
85.02908	24.9
85.06559	1.3
85.76914	0.7
87.04444	0.8
91.05463	1.4
93.07044	6.9
95.04958	1.8
95.08602	6.7
97.02895	20.5
97.06528	8.4
99.04439	2.0
99.08121	0.7
103.03917	1.0
105.07022	2.6
107.08612	7.0
109.02866	2.3
109.06516	6.1
109.10129	4.3
111.08061	1.3
111.11739	1.3
115.03931	7.5
115.07533	2.1
119.08602	8.2
121.10192	3.7
123.08079	5.2
123.11712	10.3
125.09652	1.4
127.03911	7.9
133.04961	6.9
133.10126	15.5
133.43234	0.7
135.11708	15.9
137.09598	2.3
137.13197	1.0
141.12738	1.0
145.04968	8.4
145.10124	0.7
147.11644	2.1
149.13249	8.5
151.11157	1.3
153.12775	1.5
163.05988	2.9
167.14383	1.1
175.14832	25.0
180.10211	0.9
187.68323	0.8
193.15889	36.0
211.16934	100.0
212.17255	1.7
223.06059	1.7
241.07089	1.3
249.00027	0.7
259.08112	3.2
277.09137	0.9
295.10028	0.9
373.22095	1.3
454.08081	0.8
522.31201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91325	0.4
70.06551	0.5
70.73537	0.9
70.73881	0.6
78.12815	0.4
81.07069	0.5
83.68406	0.4
84.94891	0.4
85.02903	0.6
93.07035	0.5
97.02918	0.6
98.97594	2.8
110.97613	0.9
116.98664	0.5
118.87297	0.5
128.98605	0.4
129.18704	0.5
137.06015	1.0
141.28816	0.5
153.19563	0.4
158.99756	0.6
170.99695	1.1
209.11649	0.4
227.12622	1.3
269.10757	1.4
308.54071	0.5
335.09500	6.2
381.84421	0.4
389.17847	8.7
401.14905	0.7
521.21973	100.0
522.22290	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	521.3318
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
53.03936	17.7
55.05503	23.1
67.05509	40.7
69.03423	39.1
69.07055	32.9
79.05492	25.1
81.07064	72.9
85.02905	23.1
85.04935	14.6
90.72820	12.7
91.05456	25.1
93.07053	61.2
95.04955	17.1
95.08610	88.7
105.07026	56.1
107.08568	48.5
109.06563	19.4
109.10162	48.1
119.08583	53.1
121.10147	43.7
123.08086	19.8
125.09675	17.8
127.03941	22.0
133.10133	32.4
135.11635	20.2
137.05956	40.6
139.07599	15.6
139.11195	100.0
145.10158	22.4
147.11615	14.7
149.09534	18.0
151.07449	16.4
159.11708	17.4
161.13181	26.4
165.09137	17.1
169.12195	19.8
187.11130	16.7
275.94858	13.8
305.24704	41.0
323.25891	35.2
501.91827	17.4
503.29953	23.2
521.30359	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01865	8.3
55.05513	21.0
57.03434	2.0
57.07078	45.7
61.57507	1.0
65.03936	1.9
67.05505	31.1
69.03447	1.1
69.07076	13.7
69.65376	2.2
69.65784	5.9
71.04636	1.1
71.04999	3.7
71.08634	29.6
79.05496	24.8
81.03420	10.1
81.07062	38.3
82.51545	1.1
83.01355	5.6
83.04984	7.9
83.08620	21.4
85.02904	3.3
85.06552	2.7
85.10181	18.1
86.59028	1.0
91.05486	13.7
91.23349	1.1
93.07048	32.3
95.04960	8.4
95.08608	43.6
96.63487	1.1
97.02910	1.6
97.06541	4.9
97.10175	6.6
99.04475	3.1
99.11737	1.6
105.04545	1.1
105.07026	9.4
107.04959	9.9
107.08592	17.8
109.06536	4.8
109.10149	15.4
111.04453	2.6
111.08079	1.5
111.11766	1.9
117.07003	9.5
119.08585	10.4
121.06528	4.2
121.10154	9.6
123.04450	1.4
123.08095	6.4
123.11732	5.3
125.06051	2.1
129.07031	1.3
130.07841	2.1
131.08585	2.6
133.10136	2.0
135.08121	3.5
135.11699	21.2
137.13353	1.8
145.10133	20.1
147.08095	2.2
153.12799	3.3
163.11185	42.1
173.09697	2.2
174.36499	1.1
177.00781	1.2
181.12230	6.5
191.10728	3.4
209.11716	8.7
221.01730	1.1
221.22731	2.0
227.12785	41.3
227.42783	1.2
239.23676	7.6
246.20821	1.0
250.19449	1.1
355.09763	1.2
409.63239	1.1
436.84662	1.1
472.59384	1.4
521.38513	100.0
522.38507	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03941	3.0
55.01870	7.0
55.05511	21.8
57.03427	3.3
57.07074	48.7
59.04995	2.0
60.71584	1.0
61.11943	0.9
65.03922	1.2
67.05504	30.6
69.03439	1.0
69.06765	1.1
69.07067	13.6
70.72809	1.9
70.73207	1.9
71.01337	1.0
71.04986	2.8
71.08630	31.3
79.05491	20.1
81.03407	11.2
81.07057	41.8
83.01336	7.6
83.04974	9.7
83.08618	22.1
85.02891	3.5
85.06540	1.2
85.09650	1.1
85.10181	20.8
89.45046	1.0
91.05476	13.1
93.07046	25.1
95.04955	6.5
95.08607	39.8
97.02901	1.9
97.06536	4.0
97.10169	8.2
99.04478	2.0
99.08096	1.0
105.04533	1.4
105.07028	10.6
107.04949	8.9
107.08591	11.3
109.06531	6.1
109.10151	16.2
111.04438	2.7
111.08083	1.6
111.11700	1.8
117.07027	7.9
119.08594	8.1
119.28752	0.9
121.06508	3.1
121.10143	8.0
123.08076	7.3
123.11723	5.6
125.05997	2.4
125.09612	1.7
129.06981	2.0
130.07826	1.9
131.08572	4.1
131.90782	0.9
133.10109	1.8
135.08014	1.9
135.11705	13.4
137.09624	1.9
137.13318	2.5
145.10129	15.3
147.08084	2.8
147.10490	1.0
147.90598	0.9
151.14886	1.5
153.12741	3.9
155.08510	1.3
162.04179	1.0
163.11186	30.2
165.16406	1.1
173.09605	4.5
181.12233	4.4
187.19958	1.0
191.10776	2.9
209.11736	12.7
227.12793	5.2
235.46480	1.0
239.23637	11.5
495.02094	0.9
521.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70649	0.6
55.05511	1.1
57.07080	1.4
67.05515	1.5
69.07075	2.1
72.08153	1.5
72.96085	0.6
74.09719	100.0
81.07059	2.2
82.25659	0.7
83.05000	0.9
83.08612	1.5
83.73363	0.7
84.35310	0.6
88.44244	0.7
89.70200	0.6
91.05490	1.2
93.07061	2.1
95.08627	2.4
97.10220	0.7
105.07035	2.8
107.08567	1.2
109.06545	0.9
109.10157	1.0
119.08582	2.5
121.06514	0.8
121.10165	2.0
125.06035	1.7
131.08549	1.0
133.10173	1.7
135.08075	0.7
135.11700	1.0
143.08540	0.9
145.10149	2.1
149.09656	0.9
151.07603	1.7
155.08498	0.7
159.11694	1.8
163.11240	2.0
165.09074	1.1
167.07024	5.6
173.09590	1.2
174.98103	0.8
175.11237	1.1
178.10283	0.7
181.12259	1.9
184.24716	0.7
187.11203	0.8
189.12709	1.0
193.08693	0.9
193.12360	0.8
199.11201	0.8
211.31924	0.7
221.15485	2.9
229.21809	0.8
234.16216	1.0
247.16989	1.5
260.17798	0.8
283.17212	0.9
294.87680	0.9
299.20288	0.8
312.20959	0.8
313.21796	1.1
325.21857	1.3
340.24023	3.4
425.26929	1.9
427.28857	2.2
429.33771	1.7
440.29352	9.6
447.34717	6.5
520.35522	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	521.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23440	0.3
65.44106	0.2
69.18311	0.2
69.93152	1.1
69.93560	0.5
81.07035	0.3
109.41916	0.3
137.05931	0.5
193.84840	0.3
201.88206	0.3
203.05260	0.5
209.11517	0.7
227.12512	1.7
275.07379	0.4
317.08395	0.4
321.89905	0.3
328.40054	0.3
335.09436	8.6
389.17819	6.6
389.22803	0.3
521.22070	100.0
522.22278	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	520.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
57.03445	1.9
57.07079	3.7
63.99844	1.7
67.05505	10.2
69.07063	7.9
70.20625	5.9
71.04993	2.9
73.04765	2.1
79.05506	8.2
81.07052	16.7
83.05010	2.2
83.08615	3.4
91.05486	7.1
93.07048	23.1
94.69138	1.7
95.04978	2.5
95.08602	29.1
105.07027	17.8
107.04975	1.9
107.08601	33.9
109.06516	6.3
109.10170	21.1
113.06033	6.9
119.08567	18.2
119.09327	1.9
121.06499	4.9
121.10146	33.7
123.08076	2.8
123.11718	9.2
131.08566	5.7
133.06512	5.6
133.10121	21.6
135.08055	4.0
135.11694	29.4
137.13213	3.1
137.52728	1.9
143.08568	4.8
145.10136	10.3
147.08092	5.4
147.11676	19.0
149.05989	2.3
149.09729	2.0
149.13202	9.5
151.07538	3.3
153.05486	1.9
157.10133	6.5
159.11719	10.7
161.09612	5.5
161.13251	14.0
163.07597	12.8
163.11198	4.1
163.14850	8.2
165.09128	4.2
171.11722	8.9
173.09651	3.7
173.13287	8.9
175.11154	9.8
175.14838	6.6
177.12599	2.4
177.16371	3.6
185.09604	1.9
185.13280	4.5
187.11069	2.4
187.14891	4.4
189.12758	7.9
189.16339	9.4
191.14259	3.2
191.17957	66.0
199.11183	3.5
199.14940	2.4
201.16301	4.3
203.10577	2.4
203.17963	22.4
207.17372	2.5
209.11610	2.4
213.12762	3.3
213.16444	2.6
215.14363	2.4
215.17973	2.7
217.12294	4.8
217.15866	2.5
217.19560	8.1
221.11748	7.2
225.12779	2.3
231.13783	3.5
235.13324	11.6
237.18245	2.0
241.12234	2.4
249.14877	7.9
259.13235	3.4
277.14426	2.3
295.15439	4.4
355.29898	3.3
379.29974	5.0
397.31039	15.5
410.01678	1.9
421.31250	3.4
425.30444	7.6
439.31851	11.6
443.31702	5.1
457.33133	22.5
467.32394	2.0
485.32660	100.0
486.33606	2.5
503.33276	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05035	0.6
57.01415	0.1
57.03418	0.1
58.06349	0.2
58.06632	0.4
59.07368	0.1
59.40163	0.1
60.08164	6.9
67.05507	0.6
67.80183	0.1
69.07071	0.3
70.06577	0.1
71.07373	3.4
79.05483	0.2
81.07026	0.5
83.08626	0.2
85.94869	0.1
86.09706	32.4
91.05510	0.1
93.07095	0.1
95.08627	0.6
98.98462	3.2
104.10743	2.7
104.11287	0.1
105.07077	0.2
107.08591	0.2
109.10170	0.2
119.08566	0.2
125.00005	22.2
133.10088	0.1
163.01575	0.1
184.07339	100.0
185.07700	0.4
223.92191	0.1
256.51382	0.1
258.10965	0.2
276.07773	0.1
290.81113	0.1
337.27408	0.3
502.32938	0.9
504.38879	0.1
520.33984	1.5
532.53625	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93349	0.3
55.05525	1.4
55.58335	0.3
56.05037	1.6
58.06580	1.6
59.07397	0.5
60.08163	17.4
67.05502	3.1
68.58344	0.2
69.07069	1.4
70.25520	0.3
71.07375	7.4
71.31355	0.6
75.52386	0.2
76.02264	0.2
79.05486	1.0
81.07056	3.1
83.08621	0.6
86.09706	50.7
91.05471	0.6
93.07046	1.2
95.08601	2.3
98.98463	4.7
104.10744	97.6
105.11085	0.3
106.53345	0.3
107.08593	0.5
108.25351	0.3
109.10161	0.9
119.08628	0.4
123.11722	0.3
125.00005	29.1
127.75481	0.3
181.02635	0.3
184.07341	100.0
185.07730	0.4
208.44363	0.3
258.11041	1.1
297.78214	0.3
337.27429	0.8
443.25525	0.5
447.35822	0.3
502.32932	7.9
520.34003	25.5
521.34412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01853	1.0
55.05503	3.7
57.03421	1.1
57.07077	1.0
67.05505	1.2
69.03429	9.3
69.07047	1.6
69.44503	6.7
73.02922	4.1
79.05497	9.9
81.07035	2.4
83.04985	4.2
85.02897	3.2
85.48460	0.8
89.88256	0.8
91.05475	9.4
93.07027	3.7
95.08576	1.5
97.02879	2.3
97.06490	1.0
100.47892	0.8
105.07015	7.1
107.04852	1.1
107.08593	100.0
109.06532	2.9
109.10163	1.1
119.06030	1.0
119.08565	5.8
121.06483	1.8
121.10136	12.1
123.08083	1.0
125.09606	2.3
131.08591	6.7
133.04996	1.1
133.10126	6.1
135.08051	4.9
135.11699	2.5
143.08505	2.4
145.04973	0.9
145.10133	3.1
147.11687	3.8
149.09615	2.2
149.13252	10.7
153.09114	1.9
158.10912	3.3
160.89252	0.8
163.06010	0.8
163.14787	3.2
173.13277	12.2
176.11896	0.9
180.08751	0.8
191.14302	70.6
209.15372	8.7
269.09235	0.8
273.25058	0.8
305.17444	1.7
418.33670	0.9
520.22095	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
55.42342	0.6
57.03420	2.1
57.07063	0.8
59.04971	0.8
61.02914	2.0
61.93963	0.5
67.05493	1.5
69.03428	33.0
69.07057	2.7
69.52280	4.3
71.04990	1.0
73.02916	8.0
75.79674	0.6
79.05483	1.4
81.03412	1.2
81.07048	3.5
83.04971	2.7
83.08590	0.6
84.16299	0.5
85.02904	10.9
85.06538	1.5
91.05493	1.8
93.07013	1.8
95.08604	4.4
97.02893	6.7
97.06520	2.0
99.04423	0.7
105.07014	2.8
107.08592	9.6
109.02892	1.1
109.06491	3.3
109.10146	1.6
111.08080	1.9
115.03889	3.0
119.08566	2.4
121.06474	2.2
121.10137	7.6
123.08057	1.8
123.11729	5.4
125.09631	16.1
127.03934	3.3
131.08589	3.2
133.04959	2.5
133.10156	2.9
135.08046	8.0
135.11681	3.6
136.79633	0.7
145.04951	2.6
145.10118	2.0
147.11668	2.3
149.09613	4.2
149.13268	3.2
151.11163	1.3
153.09109	6.8
158.10922	3.1
163.11169	1.6
163.14833	3.8
165.12758	2.2
173.13263	15.4
191.14301	61.5
209.15361	100.0
210.15663	1.3
241.07021	0.8
249.91235	0.6
265.11752	0.7
459.68753	0.7
520.21387	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01860	0.8
55.05495	1.0
56.96542	0.5
57.03423	1.4
57.07073	0.6
61.02913	1.2
65.03927	0.7
67.05486	1.7
69.03416	2.4
69.07048	1.3
69.48854	2.7
71.04977	1.1
73.02921	6.5
79.05489	3.4
81.07064	2.7
83.04945	0.8
85.02905	3.9
91.04945	0.7
91.05472	8.2
93.07044	3.8
95.04971	0.7
95.08595	1.4
97.02898	2.2
98.97581	2.0
105.07030	12.4
107.08595	10.0
109.06525	0.6
114.36285	0.4
115.03922	1.2
115.05436	1.2
116.06219	0.9
117.07008	5.3
118.48457	0.4
119.07783	0.7
119.08584	11.8
121.06432	0.6
121.10146	11.5
123.08066	0.6
127.03912	0.5
128.06212	0.7
128.27498	0.4
129.06979	3.8
130.07764	1.5
131.08568	18.7
132.09319	0.5
133.04958	0.9
133.10117	4.0
135.08070	4.4
135.11665	0.6
137.05981	1.6
138.06337	1.2
143.08562	9.0
144.09348	3.2
145.04964	1.0
145.09029	1.0
145.10127	14.8
145.11275	0.8
147.11690	6.4
149.09621	1.1
149.13277	6.3
150.07642	0.6
156.09253	0.6
157.10071	0.6
158.10909	11.1
158.99625	1.1
173.13266	22.0
175.14795	4.0
180.06830	0.5
191.14305	100.0
192.14674	0.8
193.08629	1.1
209.15367	1.6
211.09673	1.5
235.07301	1.9
252.37965	0.4
276.35431	0.4
287.74100	0.4
290.09076	1.1
305.17453	0.8
322.21280	0.4
323.08191	0.9
323.18311	0.7
341.09048	0.6
353.19760	0.5
363.53351	0.5
520.18683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64039	0.4
57.03444	0.4
61.02901	0.5
69.03423	1.0
69.56851	2.7
81.03426	0.5
85.02914	3.5
89.03901	0.5
97.02902	1.0
98.97575	1.2
105.03397	0.5
116.98643	0.5
117.03391	0.8
121.36011	0.4
123.04446	2.0
127.03926	1.0
133.02853	5.6
135.04405	2.2
137.05992	0.5
145.04955	1.2
147.04500	0.4
163.03914	2.1
177.00819	0.4
179.03400	100.0
179.10667	1.4
180.03734	1.0
203.07420	0.6
210.39795	0.4
232.13297	0.4
267.99854	0.4
299.06110	0.5
323.05807	0.4
341.08609	0.7
398.37323	0.4
452.70224	0.4
521.22327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01883	3.6
57.03434	2.9
69.03423	9.8
71.04993	19.0
71.61429	3.6
72.08134	2.3
73.02902	6.6
75.16958	2.3
79.05471	3.6
81.03421	10.4
81.07053	4.5
85.02907	23.1
86.08797	2.0
89.06033	84.8
91.05483	15.3
95.08640	2.3
97.02889	38.3
97.06537	2.4
98.97581	6.5
99.04436	6.8
103.05476	3.8
105.07038	5.8
107.08580	2.7
109.02860	10.0
109.06517	2.9
109.10133	3.3
116.98595	2.5
119.01114	2.3
119.04930	17.2
119.08562	3.3
121.10157	2.5
127.03913	18.9
131.08583	2.5
133.06526	3.1
135.06490	11.7
135.11758	2.9
137.05992	14.4
138.06303	2.3
145.04965	12.7
147.04395	19.0
147.11571	2.5
151.07559	3.2
158.99602	2.9
159.11694	2.8
161.05984	8.1
163.07550	2.9
167.07089	2.7
175.03914	32.8
175.07455	4.3
189.09145	11.8
191.07022	9.6
191.10521	2.5
192.04178	9.0
193.08606	5.3
194.11772	4.5
199.64188	2.0
203.07118	3.2
203.10654	2.3
205.08682	2.3
207.06526	100.0
207.13789	5.6
208.14215	5.6
209.08035	2.9
217.08710	10.6
221.08186	3.2
225.07582	30.7
227.16415	5.0
241.08710	2.8
249.07736	2.3
259.09753	7.6
261.09741	5.1
263.09116	17.0
271.09534	3.1
287.09167	11.7
290.08344	2.2
305.10272	4.9
315.08594	3.3
323.11008	5.1
352.85138	2.2
476.22879	2.5
520.18726	7.8
520.25061	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	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40488	3.1
57.07072	3.9
59.04997	4.0
67.05490	14.4
69.03407	5.2
70.14435	9.3
70.14819	6.6
73.32387	2.9
76.86103	3.6
76.86538	2.8
81.07019	3.7
82.46719	3.1
85.06531	11.1
91.15323	3.0
93.07065	4.9
95.08037	5.8
95.08602	75.4
105.07047	5.1
107.08550	9.3
113.05994	8.0
119.08565	16.6
121.10144	10.9
123.08098	24.1
135.11665	12.2
144.36203	3.3
147.11673	8.5
149.09618	31.7
161.13261	10.6
163.11246	4.7
165.12730	6.6
171.11633	5.8
189.12674	17.9
207.13786	100.0
519.17993	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	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.7
67.05478	3.9
67.81915	1.8
69.03421	6.1
70.13490	7.8
73.02908	8.7
79.05517	1.9
81.03413	4.7
85.02912	10.5
91.05453	3.2
93.07055	2.8
95.04923	2.2
95.08609	34.2
97.02895	4.8
98.20888	3.0
98.97570	3.5
105.07002	9.6
107.08587	4.3
109.02935	2.1
109.10116	1.9
111.15215	1.8
119.08585	14.8
121.10154	9.8
122.03661	5.2
123.08051	8.8
127.03924	4.1
133.06490	2.3
133.10165	11.2
135.11687	28.1
137.05974	100.0
137.09563	3.2
137.13235	2.5
143.04898	4.5
147.11691	18.1
149.09613	13.4
151.03897	11.9
151.07555	5.2
156.09357	2.9
158.99588	2.9
161.13281	34.2
171.11765	2.6
174.10391	4.2
179.14346	4.8
189.12752	33.3
203.07127	2.0
205.08560	3.2
207.13808	62.7
212.36644	2.0
225.14850	5.2
263.56219	1.8
327.12320	12.4
334.39059	2.5
357.13293	10.0
519.18182	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05027	0.4
58.06627	0.4
60.08164	6.6
67.05498	0.7
69.07063	0.2
69.97555	0.3
69.97956	0.5
70.06596	0.1
71.07374	3.3
79.05473	0.2
81.07047	0.4
86.09703	31.7
87.10032	0.2
89.13397	0.1
90.30513	0.1
90.58976	0.1
91.05487	0.3
93.07028	0.4
95.08597	0.5
98.98462	3.1
104.10748	3.1
107.08597	0.3
119.08572	0.2
121.10112	0.2
125.00002	22.1
135.11664	0.2
142.70029	0.1
184.07335	100.0
185.07648	0.5
236.72694	0.1
258.10828	0.2
364.43872	0.2
451.61368	0.2
500.31277	0.9
518.32526	1.8
523.89056	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	519.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60725	0.4
56.96556	1.3
57.03439	0.6
60.68668	0.5
69.03413	0.8
71.04984	0.5
73.02908	1.0
75.29797	0.5
81.03425	0.7
81.07056	0.6
85.02908	1.3
89.06033	0.9
93.07047	0.5
95.08628	0.7
97.02894	0.9
98.97594	2.0
99.32636	0.5
105.07010	0.5
107.08627	0.5
109.10201	0.4
116.98640	0.5
119.08601	0.5
121.10126	0.7
127.03923	1.0
128.98662	0.6
131.04956	0.5
133.10101	0.6
134.27309	0.4
137.05991	1.1
151.03897	0.5
163.03877	0.5
167.05609	0.7
167.07030	0.5
167.59546	0.5
171.48674	0.5
199.06453	0.8
207.13779	2.6
213.08028	0.8
219.01819	1.4
225.14877	0.6
231.08990	0.9
234.22536	0.4
237.02815	1.8
243.09035	1.5
261.10037	1.1
299.06082	0.8
387.13354	1.3
405.14438	1.3
441.10812	0.6
445.97113	0.4
519.18408	100.0
520.18872	2.0
549.90936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02018	1.8
55.01852	2.1
55.05501	5.3
57.03429	6.2
67.05506	4.2
67.82946	1.9
69.03440	10.7
69.07054	4.4
69.27742	6.0
69.28162	14.2
71.04975	2.6
73.02916	8.3
79.05480	3.3
80.15076	1.7
81.03418	3.2
81.07057	7.2
83.04987	4.6
83.08593	1.9
85.02910	33.0
93.07026	5.4
93.69795	2.2
95.08586	6.6
97.02886	9.0
97.06527	4.4
104.42451	2.0
105.07029	10.3
107.08585	6.6
109.06540	15.5
109.10171	4.7
111.08084	4.6
115.03882	3.4
119.08572	10.8
121.10138	18.1
123.08054	6.2
123.11695	14.6
127.03893	4.7
130.95996	2.1
131.08549	3.2
133.04994	4.2
133.10121	8.8
135.07971	3.2
137.09628	29.5
145.02850	2.6
145.04938	6.2
145.10078	5.1
147.08102	2.4
147.11671	14.5
149.09604	5.8
151.07524	2.5
158.71835	2.3
161.13246	7.2
163.03922	13.4
164.04257	7.7
165.04506	3.8
165.12766	100.0
171.11697	2.7
173.13274	2.3
174.10457	3.9
179.14297	8.2
180.45462	1.9
189.12708	21.3
191.14265	2.3
207.11894	2.9
207.13808	58.2
246.31490	2.4
249.03020	1.9
272.16678	1.9
277.26007	2.2
346.98703	1.9
347.64703	2.0
519.31342	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01873	11.8
55.05515	2.8
57.03439	19.8
59.04992	2.4
60.18372	2.2
61.02930	16.5
64.83089	1.5
65.19920	1.6
69.03432	39.1
69.30389	15.8
71.01342	5.2
71.04977	3.1
73.02921	90.9
79.05056	2.0
79.05493	26.7
81.03424	10.2
81.07047	4.7
83.04976	2.7
83.83212	1.7
85.02907	100.0
85.06551	33.9
86.65998	1.6
87.04461	5.6
91.03948	4.9
91.05470	1.8
93.07058	3.7
95.04975	5.4
97.02268	3.1
97.02897	61.3
97.06524	3.3
98.20670	3.4
99.04456	5.6
101.02357	1.5
103.03941	3.1
105.03400	46.8
109.02881	9.6
109.06525	3.0
109.10180	1.9
115.03931	34.2
121.02925	2.0
121.06512	2.9
123.04432	95.5
127.03924	39.6
133.04980	42.2
135.08041	3.5
137.06000	2.1
139.07549	1.8
145.04964	58.6
150.07576	2.3
153.09067	2.2
163.06059	22.0
163.07439	2.5
181.04904	1.8
181.08643	3.6
182.62129	1.7
189.09122	13.3
199.09677	9.6
211.09703	2.3
217.07033	2.2
217.10799	2.0
219.06569	2.5
223.06024	7.2
223.16924	2.7
224.17302	3.3
229.10660	4.8
241.07146	6.1
254.06528	1.8
259.08163	10.6
285.09650	4.9
295.10330	2.8
319.65610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40031	0.3
55.05510	0.7
56.05032	1.5
58.06599	1.3
60.08162	16.8
67.05498	2.3
69.07068	1.0
71.05287	0.7
71.07373	7.0
78.61027	0.3
79.05488	1.6
81.07063	2.3
86.09704	50.2
91.05479	1.0
93.07052	1.6
95.08607	1.8
98.98466	4.8
104.10742	100.0
105.07044	1.0
105.11118	0.4
107.08578	0.7
109.10165	0.8
119.08549	0.7
125.00004	29.2
133.10155	0.5
135.11731	0.5
137.23883	0.3
147.11618	0.3
149.13277	0.4
163.01550	0.6
184.07335	99.6
185.07797	0.4
191.38200	0.3
214.11304	0.3
258.11005	1.4
274.53256	0.3
305.86411	0.3
335.25827	0.5
441.23981	0.4
473.33133	0.3
500.25348	0.2
500.31329	7.9
518.32391	21.6
519.32520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18612	0.7
58.97940	0.6
69.03421	0.9
69.84903	2.8
69.85315	1.5
70.06603	0.6
79.05454	0.7
85.02895	1.8
86.80610	0.6
89.03919	5.7
97.02866	0.7
98.97564	2.3
100.35076	0.7
107.04977	1.6
112.07603	0.6
114.55523	0.6
117.03380	6.3
135.04414	16.0
145.02844	10.2
148.34584	0.6
163.03909	100.0
188.92535	0.6
189.00865	0.7
219.01872	0.8
237.02676	1.0
311.03271	0.7
325.09171	0.8
405.39386	0.7
420.11789	0.7
480.83627	0.8
517.17999	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03943	2.3
55.01853	1.7
55.05510	13.9
57.03433	5.3
57.07068	2.4
65.03952	1.9
67.05505	29.7
69.07065	12.8
69.37164	8.6
69.57347	0.9
71.04983	1.0
79.05493	25.4
79.05955	1.4
81.07057	38.2
83.04980	1.9
83.08620	9.9
85.06525	1.9
91.05479	20.2
93.07048	30.1
95.04951	2.2
95.08601	25.6
97.06529	3.2
97.10173	3.5
99.08111	1.1
105.06371	1.8
105.07029	23.4
107.08589	20.9
109.06493	1.2
109.10155	13.4
111.08119	1.6
117.07042	7.5
119.08583	26.6
121.10135	16.2
122.83212	0.8
123.08073	1.9
123.11703	4.3
125.09644	1.2
129.07001	3.8
131.08585	15.6
133.10138	19.4
133.11072	1.8
135.11687	9.6
137.13284	1.1
141.07056	1.2
142.07797	1.3
143.08534	5.6
145.10117	15.6
147.11696	12.5
149.13263	7.2
155.08562	1.4
157.10112	5.8
159.11703	13.3
161.13239	7.7
163.11086	1.1
163.14847	2.9
169.10156	3.6
171.11670	7.3
173.13280	9.6
175.11197	1.1
175.14880	5.0
177.12724	1.2
177.16441	1.5
183.11723	2.6
185.13263	4.1
187.14793	5.3
189.16411	1.9
197.13275	2.1
199.14828	4.3
201.16351	2.4
205.15877	0.9
211.14807	1.6
213.16498	2.0
215.14526	0.8
223.14790	1.2
227.12730	1.1
227.18059	1.6
241.18037	2.8
259.20657	3.7
263.94473	0.9
271.20773	1.2
273.22235	2.2
275.20279	1.1
277.21783	1.1
281.21436	1.0
285.22220	2.0
287.23697	1.9
293.21118	1.5
299.23679	1.6
301.25146	1.7
305.24570	1.6
313.25244	1.9
315.23203	1.4
327.26804	1.1
333.24197	2.2
335.25900	1.0
345.27872	1.0
347.25760	1.1
392.68402	1.1
405.30173	1.4
407.33197	4.5
419.32065	1.6
425.34198	14.0
443.35406	6.3
447.31186	1.1
461.36636	1.6
468.77115	0.9
475.34900	0.9
481.36526	1.6
499.37888	18.6
517.38965	100.0
518.39233	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	517.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92960	1.1
70.37570	4.0
78.04791	1.2
79.26218	1.0
95.76724	1.0
99.30343	1.2
174.89606	100.0
176.93570	1.4
214.67683	1.1
296.52859	1.2
306.84094	1.1
372.34146	1.4
381.07782	6.7
390.55029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1341
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
54.94069	0.6
55.05513	0.8
57.03433	0.6
61.36845	0.6
64.23730	0.6
64.76231	0.5
67.05515	0.9
69.03432	0.9
69.07057	0.8
69.80564	2.7
70.55932	0.5
73.02940	0.6
76.11749	0.6
79.05486	2.1
79.63534	0.6
81.07043	1.2
85.02898	1.6
85.06552	0.9
89.03916	10.6
91.05467	1.0
93.07053	0.7
95.04967	1.0
95.08595	1.8
98.97568	0.7
105.07064	1.0
107.04993	3.0
107.08559	0.8
109.06522	0.8
109.10138	1.4
117.03384	11.4
119.08582	1.1
121.10131	1.2
131.46864	0.6
133.10104	1.9
135.03381	1.2
135.04413	20.5
135.11641	1.2
137.05989	0.7
137.09584	2.1
145.02850	15.5
145.10083	0.9
163.03909	100.0
181.04832	0.7
191.14320	0.9
209.15353	0.7
211.16898	0.9
296.54214	0.6
319.08063	2.4
391.03479	1.6
499.12134	1.0
517.21783	3.1
517.29871	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	517.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31042	1.2
56.96570	7.8
68.97887	1.0
69.03433	1.3
71.61202	1.2
79.05473	1.6
84.96034	3.5
85.02887	2.5
86.19272	0.8
87.91475	1.1
89.03909	4.5
89.74451	0.9
97.02872	1.8
98.97581	18.0
107.04948	6.8
110.97581	4.6
112.99134	1.5
116.98625	4.2
117.03381	8.2
121.02872	2.1
123.62872	0.9
124.99126	2.4
128.98611	4.6
131.00154	1.4
134.99629	1.2
135.04419	16.3
140.35840	1.0
143.00183	6.8
145.02863	11.1
146.99669	1.5
151.09789	1.2
152.98645	1.7
158.99641	6.7
160.57771	1.1
161.01218	3.8
163.03906	100.0
170.99660	3.5
177.00761	5.0
185.01237	2.6
189.00699	3.4
201.00684	5.4
203.02295	1.8
219.01788	12.4
223.97827	1.0
224.00668	1.3
234.98933	1.0
237.02798	10.2
325.05911	7.1
325.93549	1.0
333.04846	2.7
343.06946	1.3
351.05951	4.0
433.77805	1.3
457.10181	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67674	2.6
53.03949	6.0
55.01871	2.6
55.05513	17.8
57.03435	8.1
57.07079	2.6
67.05510	51.8
69.07072	17.1
71.01399	3.0
71.04993	4.2
71.61967	3.2
79.05491	47.0
81.03414	3.2
81.07065	36.4
83.05004	6.8
83.08617	7.3
85.06565	3.2
91.05490	21.5
93.07047	59.1
95.04976	5.5
95.08610	29.8
97.06541	6.9
97.10193	8.2
105.07044	21.4
107.08598	30.9
109.10155	13.2
111.08083	3.5
117.07056	10.0
119.08576	17.3
121.10162	18.4
123.11745	4.5
128.06294	3.3
129.07048	4.7
131.08589	12.1
133.10130	11.5
135.08153	3.3
135.11714	42.3
143.08612	6.4
145.10112	14.8
147.11732	6.9
149.13287	3.3
153.12796	2.9
155.08510	3.3
157.10164	3.7
159.11766	8.6
161.13277	4.4
163.11255	4.3
169.10216	2.9
171.11786	4.9
173.13330	8.1
181.12321	6.8
183.11761	3.0
187.14929	3.9
243.21100	2.9
243.64978	2.9
261.22235	5.1
332.18509	2.5
361.23706	2.4
391.09222	2.3
405.31741	2.3
423.32837	8.6
428.44855	2.3
430.87894	2.8
441.17218	2.5
445.81848	2.5
497.36469	5.6
515.37555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
57.07082	0.8
67.05504	1.8
69.07069	2.3
69.39996	5.3
79.05495	1.1
81.07050	2.3
83.08611	2.8
93.07057	1.7
95.08613	4.7
96.68830	0.6
98.21514	1.2
100.36623	0.5
105.07031	2.1
107.08602	3.1
109.10165	2.8
111.08045	0.8
119.08577	4.9
121.06510	0.9
121.10094	1.2
133.10153	2.7
135.08105	0.8
135.11690	5.1
137.06009	0.7
137.09624	1.5
137.50151	0.7
145.10117	1.0
147.11714	2.4
149.09607	0.8
149.13278	0.9
151.07535	6.0
151.11169	1.4
153.09047	1.1
161.09657	0.9
161.13278	1.0
163.14813	1.1
165.09143	1.1
166.09969	1.9
175.14905	0.9
177.16368	0.7
184.72652	0.6
185.13376	0.6
189.16368	8.1
203.14316	0.7
207.17473	6.6
221.15352	4.5
227.17827	0.7
265.42334	0.6
345.27820	4.7
359.25751	2.3
373.27310	1.9
374.28156	2.2
375.28827	1.1
443.35211	100.0
444.35797	2.5
471.34726	34.4
516.31976	10.8
516.38574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01861	2.8
55.05511	17.4
57.03432	6.2
57.07080	3.1
59.06121	2.2
65.03944	2.5
67.05164	2.8
67.05509	46.7
67.14994	1.3
69.07073	14.6
70.28745	1.3
71.04992	2.5
71.08625	1.5
71.62481	1.5
79.05493	40.9
81.03407	1.8
81.07062	38.2
83.04984	4.7
83.08615	6.7
85.06554	1.8
91.05482	29.4
93.06464	2.8
93.07051	49.6
95.04983	4.9
95.08614	22.7
97.06536	6.4
97.10181	5.9
99.08081	1.8
105.07036	20.4
107.08591	29.5
109.06499	1.5
109.10174	12.0
111.08067	2.2
117.07015	9.2
119.08582	13.0
120.51610	1.3
121.10150	15.1
123.11735	2.1
125.09673	1.9
128.06224	1.9
129.07037	4.8
131.08575	13.9
133.10130	11.6
135.11700	30.7
135.12683	1.9
135.46477	1.4
143.08600	5.3
145.10130	16.9
147.11728	4.7
149.13309	4.2
153.12700	1.6
155.08612	2.3
157.10178	4.8
158.32256	1.3
158.76398	1.3
159.11668	8.4
161.13232	3.1
163.11188	3.8
167.05128	1.4
169.10167	2.6
171.11742	5.7
173.13310	7.8
181.10303	1.2
181.12276	5.8
183.11711	2.9
185.13298	4.4
187.14839	4.3
195.11700	2.7
197.13242	2.4
199.14856	2.3
201.16444	3.0
240.64310	1.4
261.22250	5.8
283.93848	1.5
405.31564	1.8
423.32651	8.1
441.33746	2.7
497.36557	5.6
515.37476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01862	4.0
55.05515	25.3
57.03427	13.4
57.07084	7.2
61.02914	5.0
65.03328	3.2
65.03943	4.2
67.05170	5.4
67.05502	88.8
69.03422	10.0
69.07068	28.0
71.61566	3.9
75.25847	3.3
79.05493	56.7
81.03406	6.1
81.07058	100.0
83.04939	4.5
83.08609	14.4
85.02898	7.4
91.05472	41.3
93.07046	66.1
95.04960	7.6
95.08607	79.6
97.02885	7.5
97.06518	7.8
97.10151	6.0
105.07043	35.0
107.08593	54.0
109.06509	9.5
109.10151	49.5
111.08066	5.2
117.07001	15.0
119.08595	33.3
121.10152	45.4
123.08142	5.0
123.11704	13.6
129.06999	9.6
131.00150	3.4
131.08554	33.6
133.10138	26.0
135.08031	4.5
135.11705	32.1
137.09566	4.7
137.13263	8.4
143.08585	4.2
145.10132	24.5
147.11685	14.6
149.13255	20.9
151.11240	4.2
157.10144	6.1
159.11673	18.1
161.13242	14.5
163.11171	5.0
163.14792	12.0
169.10146	3.1
171.11690	6.3
173.13266	19.6
175.14912	5.0
177.16357	5.9
183.11649	3.9
184.46069	3.6
185.13287	5.5
187.14841	12.0
199.14856	5.8
201.16420	6.8
210.08612	3.1
243.21071	17.2
261.22174	66.0
277.13779	8.6
277.63922	7.2
279.13763	4.1
303.23077	3.8
335.25793	27.8
353.26892	13.3
387.25000	3.9
461.29126	4.8
465.72507	3.7
497.30817	11.4
514.80762	5.7
515.32788	6.7
515.37354	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.6
57.03430	12.1
59.57476	5.3
61.02931	5.6
62.58227	5.3
65.03945	7.5
67.05506	73.8
69.03425	16.6
69.07057	27.8
69.51584	39.6
71.04987	7.1
79.05491	51.0
81.03445	8.2
81.07060	100.0
83.04971	7.3
83.08593	11.7
85.02908	12.4
91.05496	38.9
93.07046	62.2
95.04960	16.3
95.08606	74.4
97.02895	12.3
97.06531	11.5
99.08125	5.0
105.07033	33.2
107.08594	38.5
109.06522	10.2
109.10160	35.8
112.23345	4.9
117.07025	18.5
119.08574	40.0
121.10171	35.2
123.08089	11.0
123.11714	19.7
125.09651	6.6
129.07018	9.7
131.08620	25.7
133.10104	26.1
135.07997	6.7
135.11687	24.5
143.08528	9.9
145.10139	20.5
147.11702	22.1
149.09639	7.9
149.13225	17.7
155.08568	5.6
157.10124	8.9
159.11679	23.3
161.09628	6.5
161.13289	15.0
163.11116	6.8
169.10194	6.6
171.11681	11.9
173.13232	11.6
175.14819	9.2
185.13269	8.7
189.16373	5.5
207.17418	7.0
233.22684	6.1
243.21104	11.6
261.22183	40.1
303.23099	10.4
335.25784	13.2
345.24359	7.8
353.26855	16.7
358.16431	22.8
369.24326	9.8
419.28058	6.7
430.12735	5.2
443.27957	7.4
497.30988	6.3
515.26019	8.9
515.32947	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	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
55.05505	31.4
61.02910	3.9
66.72330	1.9
67.05499	10.7
69.03423	17.2
69.07076	6.8
69.48446	8.1
69.48872	6.6
70.58142	2.1
73.02917	7.9
79.05487	7.0
81.03405	3.2
81.07055	24.3
83.04541	1.6
83.04965	13.0
85.02906	13.7
85.06549	2.1
89.03921	3.9
91.05477	12.5
93.07048	11.8
95.04932	9.6
95.08607	8.6
97.02888	7.3
97.06519	4.5
98.97572	2.6
101.48633	2.2
105.07021	11.0
107.04981	4.1
107.08586	8.4
109.02877	3.4
109.06513	16.3
109.10144	7.9
115.93974	2.0
117.03373	6.6
117.07059	3.4
117.24680	1.8
119.08586	28.8
121.10133	17.2
123.08096	2.5
123.11660	2.3
127.03950	2.0
131.08582	3.5
133.06480	2.3
133.10136	37.8
135.04416	7.6
135.11681	4.5
137.05992	29.0
137.09604	4.2
140.07068	2.3
145.02853	7.1
145.04967	3.1
145.10110	7.4
147.08047	30.9
147.11722	7.1
149.09618	2.9
150.92326	2.0
151.11200	3.8
153.05469	2.2
157.10126	3.4
158.89230	2.1
159.11740	5.4
161.09647	8.2
161.13254	55.6
163.03900	38.6
163.11192	2.7
164.04265	3.9
165.09138	8.1
170.10970	3.5
173.13275	2.4
175.11290	2.6
175.14810	16.1
177.05476	5.3
178.05864	3.8
179.07042	2.6
181.12181	2.5
185.13268	5.5
188.12030	3.2
191.14372	4.3
203.14316	100.0
205.15836	2.8
209.15433	1.9
221.15361	58.0
262.33765	2.0
295.06342	2.8
313.11780	2.6
314.12094	2.6
319.08130	2.8
332.00949	2.0
372.11835	3.3
383.20782	4.8
481.73685	2.0
483.19485	7.8
515.21008	6.3
515.28143	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	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01870	2.3
55.05510	30.8
57.03435	4.5
61.02913	6.9
65.03950	3.8
67.05513	12.6
68.51760	2.4
69.03426	22.0
69.07065	6.8
71.61241	2.8
73.02916	26.5
73.47170	2.2
76.73701	2.2
79.05505	6.4
81.03407	5.6
81.07069	22.1
83.04976	20.2
83.08624	2.9
84.37654	2.4
84.66019	2.0
85.02898	17.2
90.94802	2.3
91.03954	2.5
91.05486	10.3
93.07040	10.1
95.04944	8.0
95.08598	10.8
97.02913	6.1
97.06555	3.0
98.97588	5.7
105.07045	10.1
107.08627	10.5
109.02872	3.1
109.06509	13.6
109.10159	4.2
111.08080	3.7
119.08589	31.2
121.10155	14.2
123.08060	2.9
127.03932	5.9
127.82831	2.1
129.07014	3.1
131.08501	3.7
132.95828	10.4
133.06490	2.6
133.09209	4.0
133.10136	42.5
137.09604	5.1
140.07054	5.6
144.95816	2.7
145.10146	7.7
147.08031	28.7
147.11726	5.1
147.25078	2.8
150.96878	3.4
151.11165	4.6
157.10129	5.2
159.11646	5.0
161.09633	10.1
161.13260	65.8
163.03929	4.3
164.10762	4.2
165.09143	7.3
168.06645	3.1
170.10938	4.3
173.09665	3.5
174.96902	22.3
175.11417	2.4
175.14830	24.0
185.13275	8.0
188.12033	4.3
190.26666	2.3
191.14397	4.2
192.10258	4.7
193.10483	4.3
194.26784	2.3
194.39491	2.3
200.94801	3.5
202.00815	2.2
203.14314	100.0
219.01740	4.6
221.15352	51.3
260.96927	9.1
268.11713	3.2
296.11081	3.6
313.11826	8.4
314.12070	15.1
323.12402	2.2
324.12634	4.9
373.13934	18.1
374.14258	34.2
383.20639	29.5
483.19617	4.4
485.76816	2.8
497.20279	3.3
515.20935	23.3
515.28217	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	515.1891
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
55.05506	7.5
57.03428	5.2
65.16823	4.0
67.05491	17.6
69.03425	9.9
69.07057	9.0
71.61307	6.4
73.02907	5.2
78.52977	4.0
79.05489	7.8
81.07063	33.1
83.04962	8.8
84.27947	4.6
84.48087	4.5
85.02904	7.9
91.05456	7.5
93.07061	22.0
95.04990	6.1
95.08598	19.9
97.02878	9.5
97.06487	5.8
105.07017	18.9
107.08607	17.4
109.06501	4.9
109.10130	11.3
111.04448	5.3
117.06997	4.7
119.08591	18.5
121.10129	14.1
122.99259	4.3
123.11698	10.3
127.43126	5.5
129.10622	5.5
131.08553	5.8
133.06516	8.2
133.10127	13.0
135.11720	9.2
137.05894	5.1
145.10080	7.1
147.11710	9.7
149.13304	5.8
159.11539	4.3
165.05447	8.9
167.07079	13.1
202.57472	4.5
203.17888	11.4
316.60361	5.6
410.14868	5.6
415.76767	5.0
515.18677	100.0
515.26306	14.9
515.35443	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	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01870	2.3
55.05510	30.8
57.03435	4.5
61.02913	6.9
65.03950	3.8
67.05513	12.6
68.51760	2.4
69.03426	22.0
69.07065	6.8
71.61241	2.8
73.02916	26.5
73.47170	2.2
76.73701	2.2
79.05505	6.4
81.03407	5.6
81.07069	22.1
83.04976	20.2
83.08624	2.9
84.37654	2.4
84.66019	2.0
85.02898	17.2
90.94802	2.3
91.03954	2.5
91.05486	10.3
93.07040	10.1
95.04944	8.0
95.08598	10.8
97.02913	6.1
97.06555	3.0
98.97588	5.7
105.07045	10.1
107.08627	10.5
109.02872	3.1
109.06509	13.6
109.10159	4.2
111.08080	3.7
119.08589	31.2
121.10155	14.2
123.08060	2.9
127.03932	5.9
127.82831	2.1
129.07014	3.1
131.08501	3.7
132.95828	10.4
133.06490	2.6
133.09209	4.0
133.10136	42.5
137.09604	5.1
140.07054	5.6
144.95816	2.7
145.10146	7.7
147.08031	28.7
147.11726	5.1
147.25078	2.8
150.96878	3.4
151.11165	4.6
157.10129	5.2
159.11646	5.0
161.09633	10.1
161.13260	65.8
163.03929	4.3
164.10762	4.2
165.09143	7.3
168.06645	3.1
170.10938	4.3
173.09665	3.5
174.96902	22.3
175.11417	2.4
175.14830	24.0
185.13275	8.0
188.12033	4.3
190.26666	2.3
191.14397	4.2
192.10258	4.7
193.10483	4.3
194.26784	2.3
194.39491	2.3
200.94801	3.5
202.00815	2.2
203.14314	100.0
219.01740	4.6
221.15352	51.3
260.96927	9.1
268.11713	3.2
296.11081	3.6
313.11826	8.4
314.12070	15.1
323.12402	2.2
324.12634	4.9
373.13934	18.1
374.14258	34.2
383.20639	29.5
483.19617	4.4
485.76816	2.8
497.20279	3.3
515.20935	23.3
515.28217	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	514.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05521	0.5
67.05514	0.7
69.03432	0.6
69.07063	1.2
69.46569	1.3
69.46982	2.7
70.06577	0.6
79.05477	0.7
81.03409	1.9
81.96509	0.6
83.08615	0.7
85.02901	0.8
86.09718	0.6
91.05471	0.6
95.04981	1.3
95.08605	0.8
97.88372	0.5
98.97626	0.5
108.04496	2.6
109.10137	0.7
110.97470	0.5
121.66083	0.4
122.06046	1.8
126.51467	0.5
133.10115	0.8
138.05504	0.6
140.07101	3.8
146.06021	3.1
147.11693	0.7
148.03889	0.6
148.07559	1.3
150.05540	0.6
164.10703	0.9
165.05254	0.6
168.06590	4.0
174.05533	2.3
175.11134	0.7
192.10168	1.5
193.12256	1.7
196.11203	0.6
204.06569	1.2
206.08153	1.3
211.08621	4.7
211.12209	0.6
212.07451	0.7
212.09492	1.7
213.10208	1.5
221.10735	0.9
222.09149	1.3
223.08476	0.6
224.10915	1.3
225.10204	5.6
226.10974	1.1
237.10425	0.6
239.08179	0.6
239.11827	9.2
240.08989	0.9
240.12396	0.6
241.09714	1.4
241.13419	0.8
249.10207	0.8
250.08685	1.0
251.08217	1.2
252.09018	1.8
253.09769	6.1
267.11279	12.7
267.15744	0.6
269.12842	1.3
281.09341	0.9
284.11658	0.7
285.12375	2.1
285.16971	1.5
291.09778	0.6
295.10773	5.2
297.12411	1.3
299.10107	1.3
313.11813	42.7
314.12228	0.9
323.10236	1.7
324.11380	0.9
341.11322	8.6
342.12207	0.5
355.12900	2.7
373.13947	100.0
374.14316	1.3
399.45471	0.5
405.82101	0.5
434.37271	0.6
464.18317	0.8
482.19162	6.3
496.20566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.1
63.70834	0.7
64.13561	0.7
67.05498	1.0
69.03429	1.0
69.07049	1.0
79.05473	1.4
80.26714	0.7
81.07027	2.4
85.02910	1.6
91.05482	4.4
93.07055	1.5
95.08600	2.4
97.06504	1.4
98.97578	0.8
103.05493	0.8
105.07024	1.7
107.08568	1.8
109.10112	1.0
111.04480	0.9
115.03903	0.7
119.08538	1.0
121.10110	1.4
129.05382	0.8
133.10042	0.8
135.11647	1.7
145.10052	1.3
154.49649	0.7
157.99762	2.4
159.00549	14.2
161.13246	0.8
185.04138	1.4
201.01688	1.3
209.26266	0.7
227.05270	2.6
267.06348	1.9
271.04236	3.9
321.05875	6.6
363.06851	25.0
389.05029	1.0
407.05869	100.0
429.11426	0.8
471.12589	5.2
471.30905	1.1
515.11597	52.0
516.12128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3558
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
55.05521	0.7
56.96574	0.5
67.05507	1.2
69.07057	0.7
69.45245	2.3
69.45665	1.3
79.05519	0.6
81.07056	2.2
93.07082	1.4
95.08615	2.2
105.07077	1.8
107.04762	0.5
107.08638	1.7
108.05528	1.2
109.10164	0.8
117.07085	0.5
119.08608	1.5
121.10180	1.4
122.71181	0.5
123.11711	0.6
133.06328	0.6
133.10231	0.5
133.51369	0.4
134.07036	0.5
135.11728	0.7
145.10185	1.1
147.07816	0.7
147.11732	1.1
148.08566	1.1
161.09390	13.1
161.10692	0.7
162.10164	2.7
165.12769	0.5
169.08690	0.5
173.13321	0.7
175.11089	0.7
176.11754	3.5
189.16411	0.5
191.10445	3.7
193.28618	0.5
193.68547	0.5
208.10794	1.2
229.14514	1.8
234.12299	0.5
247.13069	15.1
261.14777	1.3
262.15390	8.2
263.16193	13.9
263.18802	0.8
450.75244	0.5
513.35748	100.0
514.36176	2.8
534.45471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87048	0.6
71.61799	1.4
73.98100	0.6
85.12057	0.6
91.05492	0.7
93.98521	0.7
94.06562	0.9
102.52565	0.6
108.04469	4.4
118.56270	0.7
120.04401	0.8
120.12804	0.6
122.06017	2.3
124.98499	0.7
133.10139	2.6
137.09605	1.8
138.05507	1.0
140.07062	3.5
146.06013	4.0
148.07574	1.4
150.05428	0.7
166.05023	1.0
168.06569	4.6
172.03894	1.1
174.05585	1.6
204.06551	3.3
206.08104	3.5
211.08694	5.2
211.12259	1.5
212.09428	1.8
213.10100	1.6
221.10818	1.0
222.09131	1.6
223.08635	1.2
224.10933	1.6
225.10196	6.0
226.10963	0.9
237.10173	1.2
238.10977	0.8
239.08167	0.8
239.11772	9.0
240.08911	1.6
240.12653	0.8
241.09692	2.2
242.10562	0.7
250.08614	1.2
251.08250	1.8
252.08955	1.5
253.09682	6.1
254.10635	1.0
255.11386	0.9
267.08148	1.3
267.11298	12.6
269.12875	1.4
281.09140	1.1
281.61920	0.8
282.12134	1.4
283.10770	1.1
285.12436	1.6
291.14304	1.0
295.10767	7.5
297.12369	1.6
299.10431	1.4
313.11838	44.0
323.10114	4.3
324.11121	1.1
341.11304	22.5
342.12021	0.9
345.14432	1.8
355.12878	2.6
359.12195	2.1
373.13940	100.0
374.14163	2.3
393.17905	0.8
419.81821	0.7
464.18088	1.6
482.19165	5.2
496.20670	3.6
514.21735	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	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57964	0.5
67.05495	1.1
69.03415	0.7
69.07073	1.2
69.98679	1.1
69.99086	2.3
73.02920	1.7
79.05492	0.7
81.03400	0.8
81.07042	0.8
85.02895	0.8
86.80819	0.5
91.05500	0.8
95.04957	0.8
95.08602	1.7
102.86765	0.6
105.07029	1.5
107.04956	0.8
107.08577	2.3
108.03004	0.5
108.04472	4.8
109.10170	0.7
121.10152	1.4
122.06004	1.7
122.07297	0.6
131.01912	0.7
131.08493	1.0
133.09111	0.8
133.10123	11.9
134.10387	0.5
135.08043	2.2
137.09616	9.1
138.05475	0.9
140.07094	3.4
146.06000	2.9
148.07568	0.8
149.13248	0.9
150.05571	0.8
155.01897	2.4
161.03024	0.6
164.10732	1.4
166.05014	1.2
168.06560	5.3
172.03894	1.0
173.02957	1.6
173.13255	1.2
174.03204	0.6
174.05501	1.8
189.80719	0.5
191.14282	4.6
192.10201	2.3
197.10884	0.7
204.06549	1.6
206.08177	2.9
209.15468	0.8
211.08699	6.8
211.12363	1.1
212.09415	1.8
213.10170	0.6
215.04021	0.9
221.10667	0.8
222.09181	1.3
223.08760	0.8
223.12207	0.6
224.10876	1.0
225.10258	6.2
226.11024	0.9
227.11681	0.6
233.05118	1.2
238.11095	0.5
239.08217	1.2
239.11819	10.8
240.08932	1.4
241.09760	2.1
241.13515	1.2
249.10349	0.8
250.08711	1.1
251.08337	1.7
251.11713	0.8
252.09029	1.8
253.09753	6.3
254.10568	0.9
257.12711	0.7
263.11017	0.9
267.08197	0.9
267.11301	13.2
267.13998	0.6
268.12048	1.0
269.12878	2.0
273.03622	0.6
275.06161	1.7
281.09225	1.6
283.10873	1.2
285.12460	2.2
291.14438	4.0
295.10794	7.8
297.12323	1.4
299.10410	1.6
301.11786	0.6
303.14264	1.4
309.15588	0.7
313.11838	46.1
314.12366	0.8
323.10321	2.7
333.15533	0.7
341.11343	19.3
341.15515	1.0
342.12006	0.8
345.14536	1.2
355.12851	1.9
359.12497	1.9
373.13965	100.0
374.14206	1.6
393.17496	2.6
411.18466	1.6
448.21390	0.8
482.19196	2.9
496.20828	1.8
514.21704	2.2
525.21826	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.6
55.05500	20.5
61.02923	12.9
65.46160	7.3
67.05509	44.9
69.07063	22.3
69.32587	18.6
69.32993	68.1
72.72809	8.2
73.02897	8.8
79.05491	37.7
80.34785	8.0
81.07059	53.1
85.02896	14.0
86.29687	8.2
91.03891	8.3
91.05487	48.4
93.07032	37.2
95.08592	27.9
97.02872	14.4
97.06583	8.4
105.07021	48.0
107.08582	34.0
109.10153	23.3
110.92578	7.2
117.07002	10.4
119.08559	40.2
121.10150	31.2
131.08575	28.4
133.10121	35.3
135.11685	24.2
143.08595	12.2
145.10124	32.7
147.11699	31.5
149.13255	18.7
157.10042	8.5
159.11688	25.4
161.13235	25.6
163.14885	10.5
171.11646	15.3
173.13278	10.2
175.14888	8.8
181.47578	7.8
201.21060	8.7
234.98912	7.9
241.19507	19.3
259.20618	49.4
260.02322	9.5
313.21661	8.6
343.60358	9.4
349.23859	9.5
351.25330	100.0
442.36215	8.5
449.12415	9.5
464.93231	9.7
513.31360	82.8
513.42175	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03944	3.2
55.05503	8.0
57.03428	4.9
61.02924	12.8
67.05499	20.1
69.03436	6.3
69.07066	7.9
71.36823	2.8
79.05493	34.4
81.03389	4.0
81.07055	35.6
85.02877	13.9
85.06566	2.9
90.91685	2.6
91.03938	8.3
91.05489	24.4
93.07043	48.9
95.04979	5.0
95.08606	26.6
97.02902	5.2
97.06559	3.8
99.04493	3.4
99.08122	5.4
99.37521	3.0
105.07030	31.4
107.08597	29.8
109.10168	6.3
117.07011	6.4
119.08587	29.4
121.10143	27.4
127.03957	3.6
129.07037	6.2
131.08592	15.0
133.10098	21.7
135.08040	4.2
135.11681	21.3
143.08549	6.8
145.10149	17.5
147.11685	27.4
149.09601	4.8
149.13252	13.4
151.11145	3.6
157.10161	8.2
159.11745	14.3
161.13242	19.3
163.14897	4.2
171.11685	3.7
173.13217	8.3
175.14859	10.6
177.12773	4.8
179.14330	5.9
185.13257	10.3
187.14851	3.9
189.12741	2.9
190.05318	2.7
199.14948	3.9
231.07924	3.1
231.21031	3.3
241.19505	20.1
259.20575	39.1
269.31519	3.0
277.00195	3.5
277.21649	13.1
308.56628	2.8
333.24298	4.7
351.25327	100.0
385.23801	3.5
441.26443	6.0
446.76917	3.3
459.27310	3.4
477.20752	2.8
477.28012	7.7
495.29861	7.3
513.31525	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	513.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05519	10.8
56.96555	8.0
57.07069	4.0
60.54377	2.2
61.02918	4.1
67.05202	2.0
67.05506	13.3
69.03435	2.8
69.07072	12.3
69.91432	10.6
69.91814	4.3
79.05489	16.6
81.03447	2.4
81.07057	39.1
83.08608	6.9
85.02911	5.3
87.82726	2.1
91.03966	4.1
91.05486	22.4
93.07040	26.3
95.04973	4.0
95.08613	32.5
97.02879	5.6
97.06551	4.2
105.06374	5.0
105.07037	62.1
107.04924	2.9
107.08592	31.8
109.06533	8.3
109.10153	13.0
117.07033	14.1
119.08585	100.0
121.06521	7.2
121.10152	14.8
123.08143	2.9
128.06232	6.3
129.06995	7.5
130.07826	2.5
131.08588	36.2
133.06490	3.2
133.10147	26.7
135.08080	11.7
135.11693	7.2
137.09639	2.2
141.06981	3.1
142.07787	6.6
143.08546	18.2
144.09372	7.7
145.10120	39.7
147.08037	10.5
147.11688	28.9
149.09624	4.8
149.13278	7.3
155.08554	4.9
156.09369	4.9
157.10135	17.8
158.10904	3.9
159.08032	3.8
159.11696	50.0
161.09624	9.0
161.13261	30.8
163.14830	10.0
169.10158	4.9
171.11728	16.1
173.09647	5.2
173.13272	28.6
175.11200	8.7
175.14816	31.2
177.12781	3.7
177.16402	8.4
183.11688	4.7
185.13251	14.7
187.11230	5.3
187.14804	28.8
189.12750	17.6
189.16409	14.9
191.14323	23.6
197.13374	3.7
199.14842	4.3
201.12790	2.6
201.16429	3.0
203.14359	22.0
205.15852	23.8
209.13161	3.0
211.14876	3.3
213.07983	3.0
213.16496	2.8
215.14267	5.8
217.12291	28.3
217.15843	14.5
219.13803	3.6
227.17900	2.6
229.07491	4.1
233.15387	4.8
239.17976	2.9
243.17267	3.0
263.16342	4.6
269.10632	3.0
277.14355	47.6
291.12744	3.9
293.13333	6.1
293.18729	2.5
331.15982	3.2
335.25812	5.1
367.18018	24.5
374.15756	6.4
385.18610	2.4
389.28189	11.6
407.29480	32.7
435.28827	5.8
453.29922	5.3
467.31836	4.6
512.50110	4.0
513.31464	22.7
513.50537	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05503	10.4
55.56817	3.3
57.07078	5.4
61.02914	16.5
67.05508	35.9
69.03425	9.8
69.07083	16.8
69.94001	16.3
71.04997	5.8
73.02911	5.4
79.05499	37.2
81.03411	6.7
81.07059	40.0
83.04977	8.4
83.08613	7.1
85.02900	16.0
91.03958	4.6
91.05476	36.2
93.07055	47.0
95.04962	7.4
95.08604	33.8
97.02872	7.6
97.06486	4.8
97.10158	4.6
99.04475	3.5
105.07030	50.7
107.08602	36.6
109.06480	3.9
109.10156	16.9
117.07047	16.6
119.08596	38.2
121.06493	4.3
121.10147	30.0
127.03911	7.9
129.07008	10.1
131.08582	20.8
133.10143	27.8
135.08075	6.7
135.11703	28.7
137.54578	3.1
143.08511	6.3
145.10121	20.0
147.11694	27.3
149.13237	18.0
157.10144	8.4
159.11696	16.4
161.09683	5.1
161.13275	19.4
163.07603	4.1
163.11180	4.5
163.14854	10.0
166.05940	3.9
171.11717	14.5
173.13260	11.1
175.11079	4.0
175.14825	12.9
179.14252	3.6
185.13252	13.1
187.14757	7.2
189.16460	4.2
195.11636	4.6
203.14365	4.9
216.98027	5.0
229.12428	4.0
231.21027	5.6
234.98955	13.9
241.19485	25.4
259.20541	53.4
269.12296	3.6
271.20648	4.6
277.00015	28.5
277.21664	8.0
279.03802	4.0
281.80927	3.9
295.01038	4.6
296.83405	4.1
333.24405	7.3
351.25336	100.0
441.26593	4.5
459.27774	4.5
463.17023	3.8
467.26968	4.5
495.29077	10.9
513.27020	16.7
513.32672	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	511.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
57.66628	0.3
57.92472	0.3
61.08100	0.2
64.18860	0.3
65.23318	0.3
67.05504	0.5
69.07088	0.3
69.46135	1.2
69.46545	0.7
79.05508	0.7
79.32210	0.3
81.07067	0.8
91.05495	0.5
93.03183	0.5
93.07072	0.6
95.08633	1.0
105.07029	0.3
106.00307	0.6
107.08611	0.6
109.10183	0.6
119.08612	0.9
121.10138	0.6
131.08588	0.4
133.10153	0.6
135.08086	0.3
135.11702	0.5
143.08536	0.5
145.10106	0.3
147.11708	0.4
173.05705	2.6
193.15948	0.3
206.79076	0.3
215.08649	0.3
233.15167	1.0
243.13618	4.3
259.13260	0.6
273.18338	0.3
300.16956	4.2
300.20023	0.3
301.14343	0.6
301.17752	8.4
301.21039	0.5
316.16510	0.4
468.75882	0.3
483.34595	2.6
493.33035	1.5
498.22110	0.3
511.34088	100.0
512.34503	2.2
527.88568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.3
58.45549	0.4
59.06147	0.3
60.35243	0.3
67.05521	1.6
69.03413	0.7
69.07060	0.7
71.04984	0.7
71.27313	0.4
72.97930	0.3
73.02914	0.4
73.10489	0.3
79.05489	0.8
81.03429	0.4
81.07056	2.0
83.04997	0.4
85.02895	1.3
85.06544	4.3
91.05477	0.5
93.07024	1.0
95.08597	1.6
97.02860	0.5
98.97575	1.4
99.08085	0.5
101.06007	0.5
105.07016	0.7
107.08586	1.4
109.02898	0.5
109.06535	0.6
109.10133	0.8
110.97541	0.4
111.04388	0.4
111.08093	0.8
115.34645	0.3
119.08558	0.8
121.10143	0.8
123.11694	0.4
129.09119	0.8
131.08545	0.3
133.10129	0.8
135.11691	0.6
137.06015	0.3
145.10091	0.6
147.11678	0.5
149.13287	0.6
157.04706	1.7
169.04726	1.6
177.00668	0.3
187.06206	0.3
189.05234	0.6
199.05762	0.6
216.59154	0.3
219.06328	2.2
223.17014	0.4
234.08612	9.5
235.09439	1.4
241.18164	0.8
243.21101	0.4
259.07959	0.4
261.22150	0.5
279.23279	0.7
285.09424	0.7
297.24261	1.4
301.08896	4.1
307.97214	0.3
309.80118	0.4
315.25388	1.2
321.04044	0.9
339.04868	0.5
397.09991	0.5
397.14529	2.1
483.18341	0.5
513.19427	100.0
514.19739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45750	3.4
53.03931	9.2
55.01614	3.8
55.01858	26.3
55.05513	23.6
56.96563	5.5
57.03440	33.6
61.02925	39.2
65.03905	4.4
67.05510	38.7
69.03410	18.4
69.07069	37.3
69.33621	35.4
71.01347	4.7
71.04986	7.8
73.02921	24.5
79.05495	38.0
81.03423	25.5
81.07058	57.5
83.04977	20.6
83.08591	10.9
85.02898	34.3
86.82899	4.9
91.03938	17.5
91.05470	57.8
93.07038	39.4
95.01311	11.6
95.04939	13.4
95.08617	35.5
97.02886	20.6
97.06539	31.9
97.10155	5.6
97.61719	4.1
101.02377	5.8
103.03973	4.6
103.05423	4.3
105.07023	83.0
107.04952	19.8
107.08588	25.1
109.02862	9.4
109.06513	4.2
109.10150	12.4
111.04514	4.1
111.08084	7.7
115.29586	4.1
116.04687	14.8
117.07002	15.1
119.08588	48.5
121.06521	8.6
121.10120	12.9
123.08071	9.7
123.11689	6.7
125.09630	6.3
127.03877	14.5
129.05472	39.9
129.06979	5.5
131.08580	30.9
132.38333	4.6
133.10132	50.8
135.11642	14.5
143.07019	19.1
143.08545	5.0
145.10147	22.3
147.11687	24.8
149.09612	10.3
149.13214	6.2
153.61887	3.9
157.08586	36.0
157.10020	8.9
159.11687	14.1
159.54605	4.6
161.09674	4.9
161.13222	7.9
163.11188	7.1
164.11809	3.6
169.10068	5.0
171.10228	10.7
173.13354	5.3
177.12677	5.9
179.14336	20.1
185.11792	7.9
187.11090	6.4
200.13980	8.8
205.12253	4.6
211.13225	4.2
257.18961	9.8
275.20053	100.0
312.24286	3.8
349.23718	32.5
377.22983	4.5
400.20703	4.1
437.34329	4.7
493.28534	10.1
511.30124	33.8
511.40836	4.0
529.32428	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	511.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32761	0.4
50.98127	0.4
55.05533	0.6
56.96569	0.4
66.96519	0.4
67.05502	1.2
69.07088	0.6
69.83103	1.8
79.05492	0.6
81.07070	1.9
91.05441	0.6
93.07052	1.0
95.08612	1.3
98.20764	0.9
107.08610	0.8
109.10197	0.6
111.26225	0.5
119.08597	0.7
133.10062	0.5
145.10114	0.5
157.10152	0.5
162.32883	0.5
177.16437	0.5
195.11836	0.5
484.47845	0.5
511.34088	100.0
512.34418	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	511.1425
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
50.15472	0.7
50.33185	0.9
51.59323	0.7
56.96565	4.4
58.37210	0.7
68.86552	0.8
71.61078	1.5
84.96059	2.7
85.02929	1.1
87.65372	0.8
87.97993	0.8
97.44523	0.8
98.97587	9.8
110.97598	1.7
116.98652	3.9
117.03380	1.3
124.35573	0.9
124.99119	1.4
128.98627	1.5
131.00191	1.0
134.99553	1.1
135.04329	0.9
139.72920	0.7
141.62018	0.8
143.00214	4.0
145.02908	1.5
146.99640	1.3
149.01265	1.1
158.99692	4.0
161.01239	3.3
163.03915	8.4
164.04166	1.3
170.99696	1.6
177.00751	1.8
185.01215	2.0
189.00743	2.0
201.00737	1.5
201.03720	0.9
203.05266	2.5
219.01782	2.1
234.57985	0.9
237.02829	2.0
243.46390	0.8
245.06422	1.4
249.05531	1.4
277.05011	1.2
294.05103	1.3
295.01111	1.6
307.01300	1.0
309.07675	2.3
311.07556	1.2
329.08456	1.0
333.04968	2.0
337.07089	5.2
349.08945	2.0
351.05954	1.8
449.14380	1.4
473.51346	0.8
493.13266	2.1
511.07959	6.5
511.14236	100.0
512.14734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99486	0.4
69.03426	0.5
69.40002	3.4
83.65479	0.5
100.10363	0.4
102.15419	0.4
103.88280	0.4
105.07030	0.5
116.98653	0.5
123.08181	0.5
151.34900	0.4
156.75214	0.4
157.04778	1.8
169.04759	1.3
199.05742	0.9
217.04767	1.5
232.07086	9.9
233.07828	0.5
249.05435	0.6
266.05768	0.6
301.08917	5.1
309.07715	0.9
337.07208	1.7
384.71268	0.5
395.13116	1.2
480.16608	0.6
481.16629	0.4
511.17950	100.0
512.18469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3551
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05499	1.3
56.05020	1.2
56.96554	0.6
57.03440	0.8
57.07079	4.2
58.06602	1.3
60.07873	0.9
60.08163	15.1
67.05505	1.4
69.07048	1.1
69.61490	1.2
69.61901	2.5
71.07371	5.3
71.08614	2.7
75.51301	0.7
81.07050	2.1
83.08641	0.8
85.10180	1.4
86.09707	44.6
91.05455	0.8
95.08625	3.4
97.10177	1.1
98.21460	1.2
98.98464	3.3
104.10745	100.0
109.10204	1.5
121.38863	0.7
125.00003	24.7
143.99022	0.7
153.45267	0.6
154.36201	0.6
163.81293	0.6
184.07344	90.0
225.61781	0.6
239.23662	0.9
258.11063	0.8
313.27124	3.1
327.29233	1.8
479.55630	0.8
492.34482	8.3
510.35803	27.6
511.34875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76550	5.0
55.01852	10.6
55.60123	5.3
57.03436	11.0
57.39357	4.8
61.02924	10.8
69.03437	47.2
70.59386	16.5
73.02911	22.5
81.03417	11.7
85.02911	100.0
91.03923	6.6
96.40887	6.5
97.02882	41.8
98.32344	5.0
98.97578	15.4
99.04435	15.4
101.00873	14.0
106.30069	5.1
112.99174	6.6
115.35591	4.7
116.33515	5.0
119.01883	20.8
127.03906	49.1
136.93112	8.7
143.01875	37.9
144.01991	7.8
145.01715	6.1
145.03502	12.6
145.04955	40.1
146.02225	5.2
155.01904	18.9
157.01640	5.9
157.03455	12.4
158.99683	13.3
160.04747	9.0
161.02942	26.3
169.05280	20.0
172.95238	11.3
173.02956	18.9
175.04503	10.3
177.04184	6.1
178.04916	21.9
182.03362	8.7
183.05109	7.3
183.54968	5.7
185.02957	21.8
187.04517	8.0
187.49791	5.6
191.03853	16.7
193.05486	6.3
198.98506	26.0
201.00713	6.4
203.03999	19.1
207.01711	5.8
211.06563	6.2
214.96182	8.1
216.99579	6.8
219.01706	10.5
221.05046	12.8
245.05086	50.9
246.05351	9.0
250.07365	28.8
258.07346	7.4
259.07852	62.0
259.58350	9.0
263.05997	13.2
272.06592	13.4
273.08157	12.8
273.58340	19.1
274.08176	10.9
275.06030	13.9
275.47650	5.7
281.07129	15.1
293.07031	6.6
313.01779	7.3
319.08807	6.6
331.01102	20.3
331.04871	7.4
337.09921	26.4
340.10449	18.2
344.14557	6.5
349.06113	12.4
365.09265	7.0
425.11624	7.3
511.07657	73.7
511.15594	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	510.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57174	2.7
60.04529	3.1
67.05463	3.3
68.70492	2.0
69.03416	4.5
69.07076	2.5
71.04980	8.8
71.62002	2.7
73.02914	8.5
79.05479	5.6
81.07063	11.2
83.29195	2.2
85.02892	14.5
86.32416	2.1
87.68889	2.6
89.03915	4.4
91.05501	2.3
93.07023	7.6
95.08609	6.9
97.02877	8.0
98.97570	7.2
107.05022	3.1
107.08585	7.9
109.02830	2.6
109.10130	3.3
110.97576	2.9
115.03919	2.9
119.08558	3.2
121.02875	2.5
121.10179	2.3
124.07421	2.5
127.03922	6.6
133.05003	2.8
135.04407	7.4
135.11696	15.3
139.56044	2.3
145.02797	3.4
153.12750	100.0
158.99550	2.7
163.03911	32.4
165.09044	3.8
181.12279	2.9
211.77086	2.3
219.01802	5.6
234.52919	2.4
237.02812	3.1
241.07162	2.4
245.10593	3.7
278.10092	2.7
292.03659	2.4
348.27463	3.5
389.14709	3.0
503.17844	10.3
510.16815	6.5
510.28949	26.8
511.17792	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
53.77192	0.9
55.01871	1.0
55.05504	2.8
56.05038	4.5
57.03432	3.6
60.04528	100.0
61.02925	2.6
67.05502	13.9
68.05051	1.6
69.03427	8.2
69.07061	4.4
70.06600	1.8
71.05000	4.5
71.09515	2.2
72.04517	4.3
73.02924	2.5
74.06073	3.8
79.05111	1.0
79.05505	10.3
80.05016	1.5
81.03419	5.3
81.07056	13.5
82.06579	2.4
83.04980	1.6
83.08621	1.3
84.04500	2.0
85.02903	20.8
85.06548	3.0
86.06078	1.7
86.09698	1.0
87.04476	1.2
89.49802	1.1
91.05481	9.3
93.07047	11.0
94.06570	2.3
95.04978	2.2
95.08605	10.1
96.08131	1.8
97.02885	6.4
97.06531	1.8
98.97598	1.6
99.04451	2.7
102.05556	1.8
103.03941	1.0
104.07122	2.6
105.07030	5.3
107.08580	7.9
109.02904	2.9
109.06483	1.9
109.10168	7.1
111.04456	1.4
111.08076	1.4
116.07057	1.3
117.07040	3.1
119.08556	4.6
121.06506	2.6
121.10148	9.7
122.09600	1.0
123.11718	1.8
127.03914	5.3
129.05516	1.6
131.08556	3.1
133.10126	3.7
135.11711	3.6
136.11223	1.0
137.05902	2.1
138.09125	1.8
143.08647	1.5
145.04974	1.6
145.10170	2.1
147.11639	2.8
149.06020	1.2
149.09610	1.3
149.13243	1.4
151.11238	1.5
156.59586	1.0
157.10164	1.0
159.11630	1.2
161.13217	1.6
163.11211	1.9
166.08656	2.0
167.07074	3.6
173.13237	1.4
181.12276	3.6
185.13535	1.3
188.09248	1.2
192.01129	1.0
194.03708	1.0
199.13312	3.5
206.10402	0.9
209.08162	1.6
217.19562	1.2
224.11317	3.2
241.09695	0.9
241.19589	1.1
275.20023	1.2
276.12399	2.0
276.23264	4.5
294.24274	4.9
312.25366	11.7
330.26395	44.8
331.27029	1.2
334.06458	1.1
348.27454	68.3
349.27789	1.2
372.27496	1.3
456.29562	2.2
474.30490	3.0
492.31650	26.5
504.50134	1.1
510.16885	3.5
510.32785	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66768	1.7
52.84537	1.7
53.03940	5.9
55.01871	5.6
55.05497	5.2
55.28252	1.7
57.03421	3.5
59.73330	1.9
61.02915	3.6
65.03933	2.6
67.05493	6.2
68.99766	2.5
69.03441	13.0
69.07062	5.4
69.47662	3.2
69.48066	12.0
71.04989	5.0
73.02909	5.5
76.03634	1.7
79.05485	6.1
81.03417	11.7
81.07067	12.9
83.08623	2.6
85.02905	36.2
87.00834	14.0
91.05483	100.0
92.05820	2.3
93.07035	7.5
95.04961	1.9
95.08625	9.1
97.02885	30.7
97.06548	2.2
97.10168	2.7
99.04437	8.1
105.01863	14.5
105.07021	5.0
107.04944	14.0
107.08603	5.3
109.02882	11.8
109.10168	4.7
115.03909	1.8
117.01873	3.9
120.46976	2.3
121.10130	3.6
122.10519	2.0
123.08077	2.5
123.11736	3.5
127.03055	3.3
127.03912	33.7
128.15102	1.7
133.10100	3.0
135.08025	3.2
137.05981	2.9
145.04971	25.3
145.10115	3.0
149.57005	1.9
150.09172	4.5
159.02896	10.3
168.93024	1.8
169.12167	2.0
171.11632	2.3
172.89923	1.8
192.12616	2.0
210.35202	1.8
215.33099	1.8
231.05006	5.0
245.08118	2.6
335.09744	1.7
352.08990	2.1
492.29214	1.8
510.23532	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.2
57.03413	1.6
57.07065	1.8
58.45198	1.4
62.37609	1.5
66.21599	1.6
67.05515	9.5
69.07072	8.3
69.70367	1.4
71.08626	1.8
71.61746	2.4
79.05505	4.2
81.06632	1.7
81.07062	16.2
83.04991	2.2
83.08612	2.8
85.02892	1.7
85.06545	4.3
91.05469	4.9
93.07050	10.5
95.04966	3.6
95.08609	13.0
97.02863	1.6
97.06563	2.1
97.10204	1.7
97.41675	1.5
99.04516	2.3
102.71308	1.4
105.07024	6.1
107.04969	1.5
107.08589	8.1
109.06500	2.4
109.10149	10.1
111.04454	1.7
114.60410	1.6
119.08584	5.9
121.06516	1.7
121.10139	6.8
123.11712	5.7
125.06050	2.0
125.09630	4.9
127.03937	1.6
131.08615	2.7
133.10121	4.5
135.04367	1.5
135.08057	1.7
135.11658	2.7
136.07600	1.6
137.05988	5.0
137.09596	2.2
139.07579	1.9
145.10141	3.1
147.11699	2.4
149.09659	2.4
149.13257	2.6
151.11198	1.7
153.05496	2.3
157.10107	1.8
159.11710	3.0
161.09630	2.1
161.13260	2.1
163.11215	1.9
165.09113	3.9
175.14825	3.2
180.10223	7.2
181.05014	1.8
181.10492	2.8
189.09138	2.4
195.06563	4.3
209.08104	1.6
209.11774	2.5
214.40834	1.9
244.19878	1.8
293.28262	2.2
333.07980	2.1
335.09464	13.7
445.29095	1.7
473.28809	3.2
491.29800	4.3
491.36108	2.8
509.23608	100.0
509.29416	3.9
509.36194	13.3
510.24005	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20047	7.2
55.05513	37.8
57.03413	7.8
57.07071	16.0
64.27478	8.0
67.05506	55.4
69.03444	15.9
69.07069	56.3
70.76332	12.3
70.76681	12.1
79.05483	24.7
81.03407	13.5
81.06085	7.3
81.07050	100.0
83.04969	11.5
83.08611	25.4
85.02892	16.7
85.06551	27.1
91.05484	16.4
93.07042	37.9
95.04960	20.1
95.08604	88.1
97.02855	8.9
97.06571	9.4
97.10165	22.7
105.07032	28.9
107.08596	41.5
109.06487	7.1
109.10162	65.2
111.08061	9.8
111.11731	17.1
113.09647	6.9
119.08606	23.8
121.06522	15.3
121.10169	26.0
123.08082	9.8
123.11711	29.5
125.09660	9.5
127.03891	9.8
129.07043	9.5
133.10152	18.6
135.11717	16.8
137.05974	16.5
137.09631	14.3
137.13206	10.7
145.10129	20.3
147.11700	20.2
149.13268	11.7
153.05479	8.7
163.11218	11.0
163.14876	8.3
165.09175	12.6
180.10176	9.5
181.04897	9.7
189.09212	8.3
189.16389	9.8
198.63307	8.9
199.56662	6.8
205.12271	7.3
281.28488	13.7
293.28342	16.1
378.40976	7.2
473.28540	11.7
491.29370	16.3
509.16666	7.5
509.23413	25.1
509.29968	47.1
509.36536	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33059	6.2
55.05518	32.8
57.07073	17.8
67.05502	45.2
69.03411	8.9
69.07071	65.2
69.46703	37.5
69.47104	18.5
71.04998	8.2
71.08608	9.2
79.05494	25.3
81.03407	10.9
81.07056	100.0
83.04984	11.5
83.08643	34.9
85.02888	12.7
85.06541	35.4
91.05473	29.9
93.07035	37.2
95.04978	16.5
95.08604	89.4
97.10159	19.8
105.07033	19.5
107.04955	9.8
107.08611	34.2
109.06564	13.4
109.10154	56.5
111.11705	14.8
119.08609	7.7
121.06465	8.7
121.10158	20.8
121.38367	6.8
123.11742	19.6
125.09627	12.3
129.06978	7.4
133.10146	16.0
135.11714	18.4
137.05981	22.0
137.13248	17.0
149.09509	8.6
149.13286	12.9
151.14780	11.3
209.11688	12.6
211.13350	8.8
281.28287	15.8
287.56866	7.4
293.28384	31.8
311.29446	13.0
333.97696	7.5
473.27875	7.9
491.29379	8.9
509.16953	12.4
509.23611	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47408	0.6
55.01865	0.9
55.05509	1.7
67.05511	5.1
69.03409	2.2
69.07063	1.8
69.14839	0.8
71.61361	1.3
79.05478	2.3
81.07055	6.8
83.05011	1.0
83.08593	0.8
85.02899	2.1
85.06565	0.9
91.05450	2.6
93.07030	3.2
95.04935	1.4
95.08610	4.9
97.02868	1.6
97.06533	0.9
105.07014	2.2
107.04995	0.8
107.08612	3.9
109.06499	1.4
109.10155	7.1
111.08107	1.3
117.06977	1.0
119.08571	4.2
121.06474	1.0
121.10139	4.7
122.07274	1.1
123.08036	1.5
123.11685	4.2
125.09662	0.8
127.03906	1.0
129.06964	0.8
131.08598	1.0
133.10127	2.2
135.08075	1.3
137.05977	4.8
137.09610	12.8
139.11119	1.0
145.06525	0.7
145.10112	1.3
147.08009	0.8
149.09596	1.8
149.13318	1.8
151.07579	1.8
151.11099	1.4
161.05966	2.0
161.09546	0.9
163.07494	1.0
165.09114	100.0
166.09386	1.0
167.07042	2.5
173.13206	0.7
175.07549	1.2
177.09097	1.3
179.10663	2.1
185.30930	0.8
189.09018	1.2
197.11705	11.3
205.12253	6.3
289.21625	1.4
301.17725	0.7
311.12927	1.0
321.24274	1.2
339.25098	1.2
406.00882	0.8
509.23679	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3111
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03947	3.4
55.01875	3.2
55.05516	27.4
57.03436	3.1
57.07059	3.2
58.29206	1.5
63.81967	1.5
67.05505	23.3
69.03434	4.8
69.07066	27.7
70.64653	5.2
71.04987	4.5
72.82677	1.4
79.05488	15.4
81.03395	3.2
81.07060	44.6
83.01345	5.5
83.04976	4.8
83.08622	5.3
85.02904	3.5
85.06542	2.9
90.96007	1.9
91.05468	8.3
93.07050	25.6
95.01351	4.9
95.04987	4.7
95.08607	32.7
97.06541	4.8
97.10165	14.6
99.00816	15.2
99.04424	8.4
105.07050	8.9
107.08595	19.4
108.43456	1.7
109.02889	2.4
109.06543	6.6
109.10154	26.5
111.08102	2.6
111.11755	2.0
112.27598	1.5
113.02394	4.7
113.06010	2.0
117.01851	1.6
117.07070	2.2
119.04975	1.8
119.08551	8.5
121.06547	3.0
121.10152	17.8
123.04493	2.1
123.08111	2.5
123.11707	11.2
125.05995	4.4
125.09635	5.6
131.08606	5.2
133.10106	4.9
135.04416	2.5
135.08083	3.7
135.11723	7.2
137.05994	7.2
139.07497	4.0
140.56847	1.7
141.09081	1.7
143.08568	1.8
145.10139	6.2
147.11755	5.1
149.06003	4.3
149.09605	2.6
149.13240	3.6
151.07591	5.1
151.11143	1.6
152.18033	1.7
153.05479	7.8
155.07021	3.8
157.10129	3.1
159.11774	2.5
161.06033	2.9
161.09689	2.7
163.03932	4.5
163.07530	5.4
163.11252	2.6
163.14958	2.3
165.09096	2.8
167.07063	1.9
171.08052	2.8
171.11758	2.2
175.07520	9.4
175.11157	2.2
177.05476	8.1
177.09088	4.3
180.10143	1.8
181.04950	28.2
181.10486	2.6
183.06564	9.1
189.09125	18.2
191.07170	2.1
191.10774	2.5
193.12241	3.2
195.06526	68.3
201.16222	2.0
203.10715	3.4
205.08699	3.4
207.06526	4.3
207.13896	2.2
209.08075	27.8
209.09860	1.9
211.13361	2.4
219.10062	2.2
221.08263	3.9
223.09650	43.7
229.12169	2.5
231.10519	1.9
235.09784	7.0
237.11226	29.2
249.11253	12.3
251.12889	6.7
257.15594	2.1
261.11386	3.3
263.12814	4.3
265.14465	2.1
275.12677	2.2
277.14352	2.8
277.46078	1.9
289.14236	3.3
291.16074	5.6
293.17657	2.2
303.15936	4.1
305.17548	7.3
307.18997	10.4
315.16040	4.1
317.17459	19.3
319.19196	6.4
329.17664	2.9
335.18549	11.6
347.18503	3.3
357.20645	2.1
404.38666	1.9
427.28632	5.8
429.30127	3.0
437.26862	3.4
445.29532	13.1
455.27905	12.4
473.29028	64.6
491.30017	94.3
509.31238	100.0
510.31210	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	509.2955
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01863	10.0
55.05502	8.7
56.01825	3.9
57.03427	17.2
57.07065	4.6
61.02920	13.2
61.79744	3.7
67.05502	14.6
69.03429	38.4
69.07054	9.4
69.74862	21.6
73.02911	48.8
81.03410	8.7
81.07059	30.5
83.08608	8.3
85.02905	100.0
87.04474	6.5
93.07056	7.1
94.77827	4.3
95.08601	44.4
97.02895	46.3
97.10196	7.9
99.04485	4.4
107.08578	5.8
109.02863	9.7
109.10159	40.3
115.03937	21.0
119.08607	4.2
121.10195	6.5
123.11725	44.8
127.03916	29.9
133.04968	40.2
137.05920	4.9
137.13237	18.5
145.04926	44.7
159.11746	3.9
163.06032	13.2
165.09068	6.2
166.85201	4.6
176.03526	5.3
177.16411	5.2
179.17950	45.2
197.18980	30.4
254.08963	5.5
255.09904	4.8
283.16644	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	509.3113
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03933	2.8
55.01873	3.9
55.05507	13.9
55.90631	1.9
57.03446	2.8
57.07077	2.7
65.03937	2.0
67.05511	35.4
69.03423	7.5
69.07067	24.2
71.61263	3.0
79.05494	14.7
81.07054	49.8
83.01334	5.4
83.04999	5.2
83.08611	6.7
85.02940	2.2
85.06538	7.9
91.05462	10.2
93.07039	20.9
95.01322	4.0
95.04960	7.9
95.08601	26.8
97.06532	6.1
99.00828	16.6
99.04454	9.5
99.08086	3.4
105.07030	14.0
107.04929	4.5
107.08606	19.1
109.06515	6.8
109.10152	43.0
111.04398	3.6
111.08106	4.1
111.11703	3.2
113.02366	3.9
113.06013	3.1
117.07008	4.1
119.08550	13.9
121.06524	4.4
121.09403	2.1
121.10134	12.2
123.08089	4.8
123.11716	7.2
125.05997	5.7
125.09637	5.2
126.55615	2.1
127.11149	2.2
131.08556	4.9
133.10127	6.8
135.04411	3.1
135.08012	4.8
135.11681	4.8
137.05994	10.4
137.09650	6.0
139.07515	5.6
139.52438	1.9
143.08502	3.2
145.10114	9.7
147.11678	9.0
149.06012	2.5
149.09627	5.4
151.07541	9.3
153.05481	7.5
155.07062	7.3
155.10632	2.2
157.10146	2.3
159.08058	2.2
159.11713	4.4
161.06073	5.2
161.09596	3.6
161.13229	3.3
163.03941	4.2
163.07512	3.3
163.11224	3.5
165.09103	33.2
165.12758	2.0
167.06953	4.4
168.64957	2.0
169.10146	2.4
169.12236	3.8
171.11725	2.2
173.09541	1.9
173.13203	3.4
175.07552	6.5
175.11314	2.4
177.05449	7.5
177.09059	5.8
179.10690	5.6
181.04961	35.2
183.06546	7.2
189.09084	15.8
189.12732	2.2
195.06534	62.9
195.10147	2.2
196.07053	2.6
201.16470	2.5
203.10643	4.8
205.08589	2.7
205.12180	3.6
207.06503	3.8
207.10220	2.8
209.08087	13.6
215.10603	2.7
221.08018	5.7
223.06192	4.4
223.09651	98.8
229.12349	2.6
235.09673	5.4
237.11226	9.8
243.13892	2.5
247.09627	2.4
249.11148	11.1
251.09122	22.1
261.10986	4.0
265.10660	2.5
279.12320	7.2
289.14539	2.8
291.16034	3.9
301.14233	3.2
303.15787	2.3
305.17511	4.6
315.15970	3.7
317.17395	22.5
319.15530	2.5
319.19073	8.4
327.15851	4.9
329.17551	2.7
333.17041	5.8
345.17062	3.7
375.21606	2.4
381.79553	2.0
393.22702	9.9
411.28690	2.2
437.26822	7.5
455.27884	13.8
473.29004	54.2
491.30090	100.0
509.07870	2.1
509.23831	3.7
509.30698	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	508.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78944	4.8
55.05495	16.4
57.07079	27.5
63.32213	5.9
67.05499	25.5
69.07050	17.9
71.01192	6.0
71.08624	14.8
71.61596	7.1
79.05487	7.4
81.07050	33.5
83.04958	6.0
83.08598	21.4
84.89639	5.2
85.10164	9.4
93.07051	15.9
94.94848	4.5
95.08594	22.4
97.10162	6.3
105.88216	4.8
109.10159	9.7
111.04414	6.3
121.10075	7.9
123.11707	6.5
125.02316	8.0
125.05991	7.0
142.69086	5.5
150.13589	7.3
153.05486	50.5
181.08585	5.6
197.04585	9.7
199.06004	39.1
232.52922	5.6
258.50031	5.4
297.17111	6.6
328.11795	7.4
347.29196	6.5
463.34009	7.2
465.35828	100.0
508.41281	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	508.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37744	4.8
54.37177	5.4
55.05517	37.9
57.07065	9.4
67.05508	43.0
69.03410	13.1
69.07069	32.4
76.67733	5.5
77.38306	5.4
79.05495	29.5
80.10918	5.3
81.07061	70.4
83.04980	10.9
83.08638	26.7
85.02946	6.1
85.06537	11.7
86.09722	6.8
91.05489	34.4
93.07046	92.0
95.04990	8.3
95.08613	100.0
97.06534	15.8
99.08083	17.6
105.07040	54.9
107.08601	77.9
109.06515	16.8
109.10164	59.5
111.08091	65.9
117.06970	7.0
119.08579	93.4
121.06509	5.9
121.10149	76.9
123.08084	15.4
123.11699	20.0
125.09621	17.5
127.07555	11.7
127.11211	7.0
129.09142	7.7
131.08566	18.4
132.77980	5.7
133.10143	56.6
135.08067	19.7
135.11684	60.2
137.09619	52.2
137.13197	9.9
139.11140	28.5
143.08585	12.5
145.10152	28.8
147.11714	38.9
149.13235	18.6
151.11143	10.7
157.10138	11.5
159.11681	32.5
161.13246	22.0
163.11137	9.3
163.14774	16.9
165.12764	9.3
169.10118	8.6
171.11703	12.7
173.13289	27.4
175.14801	18.9
177.12798	8.5
177.16425	9.4
181.12222	9.1
183.11691	9.0
184.07330	7.9
185.13235	16.0
187.14784	22.0
189.16415	14.5
191.14235	6.5
191.17957	43.3
197.13295	9.0
199.14825	15.2
201.16391	27.9
203.17963	39.7
207.17499	6.9
211.14778	6.7
213.16295	14.4
215.17897	9.9
227.18088	11.0
229.19392	6.8
229.49168	5.8
235.16911	5.8
239.17953	6.7
245.18976	7.7
253.19489	6.3
260.70139	5.4
267.21094	8.2
269.22592	26.2
280.26166	5.2
290.90073	5.4
309.25635	19.0
327.26962	27.8
345.27905	11.6
457.36609	10.6
491.37265	9.0
508.30667	65.5
509.32498	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80191	0.9
53.03930	1.4
56.96570	1.0
57.03447	1.1
61.02919	1.5
65.03938	5.9
69.03441	4.8
71.04987	3.6
71.25836	1.0
71.61311	1.6
81.03421	2.9
85.02911	7.4
89.06038	13.9
91.05487	4.1
93.03413	10.4
97.02910	8.1
98.97592	2.1
99.04445	1.1
107.04968	9.5
109.02877	3.1
110.03633	1.2
111.04461	13.1
113.14769	0.9
119.04967	4.5
124.07556	1.0
125.05994	26.5
127.03904	3.6
135.06580	1.4
137.05908	1.7
145.02835	1.5
145.04942	3.1
149.05959	1.3
149.09636	1.3
151.07526	1.3
153.05475	95.0
154.05875	1.0
163.04008	1.2
167.07010	1.3
177.05472	1.9
195.06538	100.0
196.06950	1.2
237.02795	1.6
244.31334	1.0
261.09769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62618	1.2
53.03935	3.8
54.89357	1.2
57.03438	1.7
61.02908	1.5
69.03436	6.9
70.45651	1.1
71.04997	15.1
71.27207	2.5
73.02924	2.7
73.96660	1.2
79.05479	2.5
81.03409	7.2
81.07052	1.4
85.02908	13.6
89.06031	72.2
91.05466	1.6
93.07058	2.2
95.04968	3.1
97.02898	21.5
99.04449	4.5
103.05475	2.4
103.61848	1.2
105.07007	3.5
105.12255	1.3
106.42839	1.4
107.04961	22.5
108.04467	5.2
109.02875	9.9
111.04398	2.7
117.06949	1.6
119.08571	1.7
121.06469	2.2
121.10148	2.7
127.03909	11.2
131.08577	1.8
135.05612	1.5
135.06517	9.7
135.08080	8.2
145.04956	7.4
151.07532	2.2
161.05936	1.7
161.09566	1.8
163.06258	2.0
163.07539	23.1
167.07037	60.2
177.16296	1.4
178.16624	1.4
179.10663	2.1
180.07741	2.4
181.08582	4.6
191.97604	1.4
195.10152	20.9
213.11221	100.0
237.11206	2.6
243.08600	1.6
255.12482	1.6
261.09726	2.5
303.12183	8.6
321.13361	6.5
343.92139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21205	2.2
53.03935	4.5
53.96935	2.6
55.05508	18.1
57.03424	5.4
57.07064	9.1
65.03938	3.3
65.29220	2.2
67.05505	36.6
69.03428	7.5
69.07068	34.4
69.55922	16.8
71.04958	2.5
72.92876	2.9
79.05483	17.7
81.07060	100.0
83.04988	4.5
83.08617	14.3
85.02898	18.2
85.06545	50.1
86.09678	4.1
91.05470	7.0
93.07053	34.4
95.04948	4.9
95.08611	83.3
95.09219	4.0
97.02897	4.0
97.06531	4.5
97.10160	10.9
99.08087	23.6
105.07058	13.2
107.08601	41.6
109.10158	66.7
111.08081	7.0
111.11694	7.3
113.09627	7.5
117.06970	3.5
119.08562	20.6
121.10147	28.2
123.11696	36.3
125.09626	7.5
127.03878	3.1
132.27713	2.5
133.10123	8.2
135.08061	4.6
135.11688	16.5
137.05937	4.9
137.09607	4.0
137.13280	16.7
139.11169	9.8
147.11702	8.2
149.12186	2.9
149.13264	34.7
151.07565	3.6
151.14799	7.1
153.12733	4.8
159.11671	4.2
161.09567	4.1
161.13213	6.2
163.03897	2.9
163.14827	23.4
165.09108	12.5
165.16418	4.2
167.07036	2.8
171.11682	2.7
175.14827	3.1
177.16397	13.8
179.17953	3.4
191.17920	5.1
195.17538	2.8
197.19066	4.7
203.17946	3.4
205.19550	3.1
213.18643	3.5
217.19527	5.6
219.01730	3.2
261.25656	2.7
265.25284	4.5
273.25809	9.2
279.26764	11.3
291.26831	48.4
297.27740	4.2
308.47070	3.0
309.27805	27.6
327.28851	9.5
345.29916	6.3
375.19876	8.9
507.24203	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	507.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61122	0.3
55.05516	1.8
57.03432	0.5
57.07071	0.6
67.05224	0.4
67.05509	5.9
69.03416	0.6
69.07061	2.0
69.43952	3.0
70.56078	0.4
71.04971	0.7
73.02917	0.5
79.05510	1.7
81.03375	0.4
81.07057	7.7
83.04972	0.7
83.08605	0.9
85.02901	1.5
85.06547	1.7
91.05469	1.8
93.07041	2.9
95.04965	0.7
95.08613	7.4
95.09163	0.2
97.02883	1.0
97.06535	0.7
97.10160	1.1
98.97582	0.5
99.08128	0.4
105.07021	1.4
107.08594	3.1
109.06522	0.3
109.10159	8.5
111.08061	0.6
111.11737	0.4
116.98653	0.6
117.06967	0.5
119.08585	4.3
121.06510	0.5
121.10152	2.4
122.07314	2.1
123.08047	0.5
123.11740	3.3
125.09638	0.5
129.06995	0.4
129.09125	0.5
131.08540	0.5
133.10158	1.0
135.08073	0.7
135.11723	2.3
137.06009	1.0
137.09618	12.6
137.13232	0.7
141.09074	0.4
145.10138	0.5
147.11690	1.2
149.09612	1.3
149.13280	1.7
151.07536	0.7
157.08624	0.7
157.10069	0.4
158.99696	0.4
159.11681	0.7
161.13234	0.7
163.14821	1.0
165.09116	100.0
166.09448	1.1
167.07007	0.8
177.16371	0.9
179.10684	0.7
189.09163	0.5
189.12804	0.8
202.50487	0.4
203.10707	1.1
203.17915	0.4
205.12253	3.9
207.10297	0.4
217.19667	0.4
260.52887	0.4
273.25735	0.4
276.23959	0.4
285.45084	0.4
291.23734	0.7
291.26862	1.2
293.21161	0.5
295.47476	0.4
309.27930	1.1
337.23679	1.4
363.01474	0.4
425.30060	0.5
443.31659	0.6
447.14807	0.6
471.30731	0.6
489.31906	0.6
507.23685	2.1
507.32513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01872	1.8
55.05513	13.8
56.96561	2.3
57.03445	3.3
57.07074	7.2
61.02928	1.9
65.86079	1.4
67.05505	29.6
69.03419	4.9
69.07072	36.9
70.36728	4.8
71.04989	4.3
71.08637	2.3
73.02927	3.3
79.05508	12.9
81.07061	65.3
83.04978	4.3
83.08622	12.6
85.02904	13.2
85.06548	10.2
91.05489	5.7
93.07043	23.1
95.04976	2.0
95.08608	56.3
96.17867	1.7
97.02896	6.4
97.06535	5.1
97.10174	8.6
98.21471	2.1
98.97581	2.5
99.04456	2.3
99.08091	9.2
105.07016	7.8
107.08606	26.7
109.02903	3.8
109.06535	2.4
109.10168	46.3
111.04570	1.5
111.08089	6.6
111.11034	1.7
111.11671	7.8
113.09611	2.7
115.03982	1.8
119.08582	11.0
121.10139	20.3
122.07330	2.5
123.08092	1.7
123.11703	22.7
125.09641	4.5
127.03905	2.2
133.04993	1.9
133.10168	6.8
135.08018	2.5
135.11673	14.0
137.05989	3.1
137.09639	13.2
137.13266	6.4
139.11186	6.4
141.09171	2.3
145.05031	1.8
147.11705	3.6
149.09601	2.2
149.13258	20.6
151.07610	2.7
151.14859	4.2
153.12793	1.9
161.13268	3.0
163.14842	11.4
165.09125	100.0
167.14314	1.9
171.13896	2.7
175.14836	1.9
177.16414	12.0
177.75815	1.7
181.15964	1.8
189.00665	1.6
189.16335	2.7
191.17989	2.7
195.17421	11.1
203.18100	2.7
205.12321	2.8
213.18518	12.4
217.19508	2.5
235.20563	3.1
247.24281	1.9
262.49408	1.7
273.25705	6.1
279.26813	5.1
291.26791	23.0
297.27835	3.4
309.27905	25.8
314.17096	1.7
327.28989	11.2
507.22232	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	507.2955
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03938	12.2
55.01871	17.4
55.05511	34.5
56.05887	5.3
57.03433	22.0
67.05506	82.2
69.07066	23.9
71.04996	10.4
71.62060	7.2
79.05492	94.0
81.03419	22.0
81.07053	73.2
83.01357	9.8
83.04990	23.2
83.08617	11.2
91.05482	82.0
93.07048	100.0
95.04948	30.7
95.08604	48.0
97.02939	6.7
97.06556	12.2
97.10136	7.1
98.97542	5.7
105.07035	50.0
107.04971	20.4
107.08598	41.2
109.06557	11.8
109.10169	24.3
109.45044	5.2
111.04432	8.7
111.08060	7.7
114.36869	5.4
117.07026	19.4
119.08559	35.2
121.06521	8.3
121.10172	21.0
123.08072	18.0
129.06995	17.3
131.08568	16.3
133.10164	19.6
135.11702	20.9
143.08583	11.2
145.10095	26.9
147.08038	11.9
147.11707	40.8
149.13274	7.5
153.12773	6.8
157.10170	7.4
159.11743	9.4
161.13242	11.6
163.11197	23.3
163.64647	5.3
165.09169	10.3
166.09320	5.8
171.11626	36.1
173.09689	5.9
179.14388	6.9
189.12769	16.3
191.10643	11.2
207.13846	35.1
209.11790	11.3
253.19957	5.9
281.17538	43.9
283.15439	60.5
484.62015	6.0
489.28357	80.1
496.47321	6.3
507.29221	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	507.2957
Annotation	Mucronine A
Peak:m/z	Relative Intensity
50.55177	0.5
53.03961	0.7
55.01868	0.8
55.05260	0.7
55.05510	13.2
57.03431	0.8
65.58997	0.6
67.05507	7.7
69.03415	2.0
69.07069	8.3
69.35448	4.8
79.05493	2.8
81.07065	8.0
83.01336	1.6
83.04970	1.1
83.08618	2.0
85.02915	0.7
85.06544	0.7
87.09694	0.6
91.05486	2.7
93.07053	4.6
95.01330	1.1
95.04970	1.7
95.08601	6.3
97.02912	0.8
97.06521	1.2
97.10175	13.9
99.00822	5.6
99.04465	3.0
105.05335	0.6
105.07000	3.9
107.08582	4.1
108.21123	0.6
109.02861	1.1
109.06544	1.5
109.10155	12.1
111.04475	0.6
111.08100	1.1
111.11681	1.2
113.02398	1.2
119.08597	2.6
121.06517	1.2
121.10150	2.7
123.04438	0.7
123.08067	1.3
123.11745	1.0
125.06013	1.2
125.09618	2.0
129.12482	0.6
131.08578	1.3
133.06493	0.8
133.10143	2.3
135.04430	1.3
135.08086	1.3
135.11740	1.2
136.90381	0.5
137.05994	1.8
137.09616	1.7
139.07527	1.5
139.11163	1.3
143.08490	0.9
143.10641	1.1
145.10164	1.7
147.08070	0.8
147.11719	1.4
149.02307	1.6
149.05983	1.7
149.09625	1.1
151.07544	2.6
153.05487	1.9
155.07069	1.3
157.10106	1.1
159.11678	0.8
161.06001	1.8
161.09708	1.0
163.03934	2.0
163.07524	1.3
163.11110	0.7
165.09122	1.1
167.07098	0.8
169.05072	0.7
169.10074	0.7
171.11778	0.7
173.09683	0.6
175.07553	3.5
175.14868	0.9
177.05496	2.7
177.09068	1.7
181.04953	9.8
183.06494	3.9
189.09106	5.4
191.07054	1.6
191.10707	1.1
195.06525	24.7
203.10686	2.3
205.08652	1.9
207.06554	2.5
209.08090	12.4
211.14946	0.8
217.08589	0.8
221.08119	5.1
223.09673	14.0
231.13794	1.5
235.09750	2.9
235.16995	0.9
237.11192	6.7
237.13437	0.7
240.13701	0.6
245.15359	0.7
249.11243	4.1
251.12828	2.3
255.13914	0.8
259.16876	0.7
261.11496	0.8
263.12802	2.1
265.14243	0.7
273.11298	0.6
289.14459	1.8
291.15842	3.2
296.32443	0.6
297.14944	1.0
303.16025	1.8
305.17438	10.4
307.18979	3.4
312.26764	0.7
315.15887	2.8
319.19058	4.8
329.17331	0.8
333.16995	4.5
425.27164	0.8
443.28244	0.9
453.26425	1.1
464.78506	0.6
471.27350	4.0
489.22903	0.5
489.28458	24.8
507.29526	100.0
508.29828	1.9
517.35657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31645	1.2
51.04685	1.4
51.70653	1.3
55.01863	6.2
55.05522	7.9
57.03437	13.6
57.07041	1.8
59.04985	4.5
61.02674	1.5
61.02924	14.8
67.05499	6.7
69.01908	1.4
69.03070	1.7
69.03426	22.6
69.06712	2.0
69.07066	23.2
71.01346	4.3
71.04972	4.7
71.18648	3.1
73.02917	100.0
79.05476	4.6
81.03401	3.8
81.07056	17.0
83.04970	5.4
83.08607	3.2
85.02906	56.0
85.06535	10.3
86.87434	1.4
87.04453	2.8
91.03975	1.5
91.05471	3.5
93.07027	7.5
95.04977	1.8
95.08038	2.1
95.08607	22.5
97.02896	27.8
97.06533	3.8
97.10157	5.7
98.97569	1.5
99.04430	2.4
99.08103	8.8
103.03934	2.8
105.07022	3.0
107.08587	16.3
109.02874	3.5
109.10172	12.0
109.33337	1.4
111.08076	2.8
111.11719	5.0
113.09620	5.6
115.03922	23.6
121.10129	18.4
123.08051	3.3
123.11709	6.3
125.09646	5.4
127.03900	14.5
127.11210	1.4
133.04964	20.7
133.10155	7.9
134.10416	2.1
135.10777	2.0
135.11687	8.0
137.05991	2.5
137.09596	3.4
137.13278	10.7
139.11147	4.7
145.04958	14.3
149.13255	4.1
151.07562	1.6
151.14809	2.4
153.12715	5.3
157.12224	1.4
163.05988	3.6
165.09108	4.0
167.07047	1.6
177.16383	55.3
191.14247	1.8
192.14565	1.6
195.17438	35.9
213.18500	60.3
223.06023	2.6
236.56203	1.5
241.07016	2.9
270.81750	1.4
305.08490	1.4
309.20593	3.4
312.00613	1.7
327.21497	2.4
345.22504	3.9
375.23914	3.9
480.80624	1.5
507.21271	1.7
507.27994	4.3
513.26483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2798
Annotation	Foliasalacioside E2
Peak:m/z	Relative Intensity
50.31645	1.2
51.04685	1.4
51.70653	1.3
55.01863	6.2
55.05522	7.9
57.03437	13.6
57.07041	1.8
59.04985	4.5
61.02674	1.5
61.02924	14.8
67.05499	6.7
69.01908	1.4
69.03070	1.7
69.03426	22.6
69.06712	2.0
69.07066	23.2
71.01346	4.3
71.04972	4.7
71.18648	3.1
73.02917	100.0
79.05476	4.6
81.03401	3.8
81.07056	17.0
83.04970	5.4
83.08607	3.2
85.02906	56.0
85.06535	10.3
86.87434	1.4
87.04453	2.8
91.03975	1.5
91.05471	3.5
93.07027	7.5
95.04977	1.8
95.08038	2.1
95.08607	22.5
97.02896	27.8
97.06533	3.8
97.10157	5.7
98.97569	1.5
99.04430	2.4
99.08103	8.8
103.03934	2.8
105.07022	3.0
107.08587	16.3
109.02874	3.5
109.10172	12.0
109.33337	1.4
111.08076	2.8
111.11719	5.0
113.09620	5.6
115.03922	23.6
121.10129	18.4
123.08051	3.3
123.11709	6.3
125.09646	5.4
127.03900	14.5
127.11210	1.4
133.04964	20.7
133.10155	7.9
134.10416	2.1
135.10777	2.0
135.11687	8.0
137.05991	2.5
137.09596	3.4
137.13278	10.7
139.11147	4.7
145.04958	14.3
149.13255	4.1
151.07562	1.6
151.14809	2.4
153.12715	5.3
157.12224	1.4
163.05988	3.6
165.09108	4.0
167.07047	1.6
177.16383	55.3
191.14247	1.8
192.14565	1.6
195.17438	35.9
213.18500	60.3
223.06023	2.6
236.56203	1.5
241.07016	2.9
270.81750	1.4
305.08490	1.4
309.20593	3.4
312.00613	1.7
327.21497	2.4
345.22504	3.9
375.23914	3.9
480.80624	1.5
507.21271	1.7
507.27994	4.3
513.26483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.9
57.07050	7.1
67.05506	28.4
69.07050	15.3
71.04988	7.9
79.05487	19.2
81.03379	7.8
81.07052	37.3
83.08602	16.8
85.06550	10.2
86.09689	18.3
91.05448	23.5
93.07045	46.0
95.04935	7.6
95.08601	53.0
95.42385	5.5
95.50165	5.3
97.06477	9.2
99.08083	11.3
104.10742	26.3
105.07021	39.5
107.08595	69.0
109.06507	12.4
109.10149	40.8
119.08581	42.2
121.06454	6.0
121.10133	70.0
123.08076	8.7
123.11689	21.9
124.99947	9.3
125.09662	6.4
127.11185	6.3
131.08569	17.0
133.10123	85.6
134.10516	5.9
135.08040	12.3
135.11710	38.9
137.13235	10.8
139.11140	5.6
143.08594	9.7
145.10127	23.0
147.11668	24.1
149.13249	23.1
151.11201	7.8
157.10127	15.9
159.11679	19.8
161.13269	22.5
163.14789	9.8
169.10176	7.8
171.11642	15.6
173.13249	52.2
175.11253	9.2
175.14851	35.0
177.16409	51.7
184.07288	38.2
185.13280	8.0
187.14749	11.2
189.12766	6.3
189.16354	9.9
191.14317	60.2
193.15880	5.7
199.14789	9.4
201.12753	9.2
201.16347	12.5
207.17372	7.7
209.15349	74.4
211.81268	6.0
237.02307	6.5
247.16891	11.8
260.20807	7.5
261.18585	6.6
289.21552	9.3
303.23077	8.1
315.23224	62.2
367.26373	8.7
369.09833	6.5
395.29715	8.5
425.30551	14.6
435.32462	24.8
453.33743	100.0
454.39066	7.0
471.35120	14.0
506.30780	17.4
507.30710	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	507.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	7.8
55.05505	12.0
57.03433	16.7
57.07063	2.0
59.04992	2.0
60.99136	1.7
61.02690	1.5
61.02926	17.5
67.05490	6.7
69.03430	24.1
69.07063	17.7
71.01336	3.9
71.04976	3.1
73.02917	100.0
79.05475	4.4
81.03391	6.0
81.07056	13.8
83.04988	4.0
83.08606	2.6
85.02905	56.5
85.03419	3.2
85.06547	9.4
86.03234	3.1
86.09700	2.4
87.04451	3.3
91.03931	3.0
91.05473	2.2
93.07037	10.8
95.08605	16.8
97.02896	31.1
97.06538	2.1
97.10152	4.5
98.97554	3.7
99.04433	5.2
99.08108	12.4
105.07016	4.3
107.08588	14.5
109.02879	4.5
109.06471	1.8
109.10137	8.6
110.70445	1.6
110.97536	1.6
111.08090	1.7
111.11727	4.1
113.09605	4.1
115.03931	26.4
119.08574	1.9
121.10113	15.4
123.11698	5.2
124.05100	1.5
125.09602	4.6
127.03903	14.0
133.04955	18.3
133.10126	2.0
135.11710	9.1
137.06029	3.4
137.13266	9.7
139.11156	5.2
145.04982	18.5
146.05283	2.5
149.13318	3.6
151.14806	3.1
153.12740	5.2
158.99692	2.0
163.05943	4.7
165.09123	7.9
176.03410	1.9
177.00827	1.5
177.16389	44.0
195.17453	29.4
209.15294	1.8
213.18486	51.7
229.64877	2.8
252.09351	9.8
252.59563	9.0
253.09579	2.9
255.19446	1.8
304.77670	1.6
309.20462	1.9
372.82294	1.7
506.73337	3.3
507.19040	5.0
507.27982	3.2
520.90356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.55303	1.8
53.55572	2.6
55.05507	9.3
57.07071	5.2
62.77985	2.4
67.05511	14.8
69.07074	17.4
71.04996	7.2
72.69563	2.0
79.05499	14.5
81.07069	34.9
83.04979	4.0
83.08607	9.1
85.06542	6.1
90.68685	2.4
91.05482	16.9
93.07043	27.7
95.04973	2.6
95.08607	35.4
97.06511	6.4
99.08078	6.5
105.07030	29.0
107.08601	57.2
109.06512	9.2
109.10160	35.7
111.08070	2.7
113.09648	3.2
117.07000	4.5
119.08585	39.5
121.06499	6.0
121.10140	47.0
122.68233	2.4
123.08025	5.2
123.11703	19.4
125.09626	6.7
127.11227	5.7
131.08592	14.2
133.06505	4.7
133.10139	97.5
135.08035	9.5
135.11691	40.6
137.09581	2.9
137.13281	6.5
145.10132	16.8
145.49792	2.3
147.11708	19.1
149.09680	4.9
149.13258	20.1
151.11212	5.1
157.10152	10.0
159.11720	11.6
161.09598	3.0
161.13338	11.8
163.11185	4.4
163.14832	10.3
165.12811	3.5
171.11635	6.3
173.09660	2.5
173.13264	46.1
175.11250	5.2
175.14828	58.1
177.12732	3.0
177.16383	47.0
178.16702	3.0
179.14302	2.8
183.11737	4.7
183.57040	2.1
185.13231	4.2
187.11298	2.9
187.14787	4.4
189.12756	3.0
189.16350	4.0
191.14319	53.6
191.17987	3.5
193.15799	17.0
197.13266	4.8
199.14737	2.4
201.12738	3.6
201.16423	9.0
203.14317	3.6
209.13416	4.6
209.15352	100.0
211.14806	5.0
211.16832	2.8
213.12747	2.9
213.16345	3.1
215.14333	4.3
217.15942	3.4
219.17540	14.2
221.15495	2.8
223.16843	4.1
229.15912	5.5
247.16885	4.1
261.18451	2.4
289.21625	3.4
297.22101	10.7
303.23257	4.5
309.22015	2.9
315.23215	46.7
355.26404	2.5
367.26425	6.3
375.72141	2.4
395.29337	4.7
417.31744	4.6
435.32703	25.5
443.36072	2.8
453.33676	94.6
471.34921	13.8
484.70554	2.6
489.35693	2.3
506.28464	2.9
507.31546	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	506.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01845	0.6
55.05508	7.6
61.02919	1.2
67.05502	9.3
69.03403	1.3
69.07069	12.0
69.07442	0.8
70.49825	1.6
70.50187	0.5
73.02914	7.2
79.05486	5.0
81.07056	7.8
83.08614	5.7
85.02908	1.3
91.05475	3.5
93.07046	12.6
93.23992	0.6
95.08604	100.0
96.08921	1.2
97.02902	2.0
97.10169	1.1
105.07033	5.6
107.08591	34.8
109.10155	15.8
109.10915	1.0
115.03917	1.5
119.08582	1.5
121.10140	59.8
122.10941	1.3
123.08072	1.2
123.11722	0.7
127.03955	1.1
133.04959	1.3
135.11688	8.3
145.04906	0.7
149.13271	5.8
177.16382	92.5
178.16730	0.8
180.10202	1.2
259.08151	0.8
316.79236	0.7
506.34555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62327	0.9
53.03943	2.9
54.23949	1.1
55.01881	0.9
57.03436	1.8
69.03426	6.4
69.48952	8.7
71.04993	8.2
73.02930	3.1
77.03893	0.9
77.40420	0.9
79.05485	2.8
81.03414	3.9
83.05003	1.3
85.02895	7.9
89.06036	48.7
91.05493	2.4
93.07036	0.9
95.08631	1.0
97.02892	18.9
98.97594	2.0
99.04442	3.6
103.05488	5.2
105.07036	43.8
107.04971	1.3
108.04481	4.4
109.02882	6.7
115.05463	8.9
118.04174	2.7
127.03932	7.2
133.06497	45.2
135.06534	5.7
137.05965	10.1
143.06055	3.4
145.03046	1.3
145.04956	6.5
161.05989	100.0
161.31346	1.0
167.07063	2.6
175.07603	1.2
177.05441	1.9
193.08618	88.0
195.10115	1.1
205.08710	1.1
211.09724	1.8
243.08688	1.1
259.10068	1.2
261.09793	2.2
273.07605	2.3
301.10501	1.2
392.60886	1.1
506.22852	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	506.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01870	6.4
55.05501	8.7
57.03438	13.4
59.04993	2.3
61.02935	10.9
67.05499	7.0
69.03432	25.9
69.07071	15.1
70.72715	3.6
71.01359	3.5
71.04993	1.6
73.02917	56.1
76.57397	1.2
79.05489	5.9
81.03409	5.6
81.07062	11.1
83.04973	1.4
83.08625	10.6
85.02905	64.6
85.06554	1.3
87.04458	3.6
91.03963	2.4
91.05482	6.9
93.07046	21.7
95.04988	2.6
95.08604	31.0
97.02895	53.1
97.10164	5.0
99.04453	4.0
103.03970	2.6
105.07055	8.0
107.08595	50.2
109.02870	5.7
109.06521	1.6
109.10164	12.8
115.03928	22.8
119.08545	4.4
121.10143	71.6
123.11723	4.7
127.03922	21.1
133.04968	26.4
133.10118	4.1
135.11711	15.8
137.13226	7.5
145.04961	28.2
147.11661	1.8
149.13271	8.9
150.07593	2.2
163.06006	10.9
167.07030	1.5
169.04997	1.6
171.11734	1.7
175.14803	3.5
177.16389	100.0
178.16690	2.2
180.10188	5.3
187.48776	1.2
193.05023	2.5
195.17458	14.4
199.05998	3.1
201.16440	1.5
217.07060	2.1
223.06049	6.0
241.07130	7.2
259.08133	8.3
277.09186	2.0
295.10159	1.7
304.92804	1.3
433.55304	1.2
506.35016	9.1
507.29410	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	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
56.96563	2.8
57.24684	1.9
59.54865	1.9
61.02957	2.2
69.03431	2.8
70.08441	9.7
81.03405	4.0
85.02909	16.7
97.02896	6.7
98.21497	2.7
98.97602	4.3
115.05494	5.4
116.89386	2.2
123.04427	2.3
129.07007	4.8
131.04947	3.5
137.06026	4.7
141.07037	3.5
143.04915	18.2
145.02917	2.6
145.06453	4.1
147.04431	4.7
149.05972	12.4
153.05478	7.1
157.06502	4.5
160.05219	4.4
161.05986	17.4
163.07465	2.7
167.07237	2.3
169.06560	3.6
171.04454	13.6
175.07550	38.7
176.04724	5.0
177.05481	36.1
177.93227	2.2
179.07028	3.8
184.05251	2.8
185.05910	4.3
187.07559	4.4
189.05455	14.9
189.09117	2.6
191.07021	12.4
195.06525	6.9
199.03810	3.4
201.05463	5.5
201.09178	3.3
203.05260	5.0
203.07043	60.9
205.05003	4.5
207.06534	4.4
212.04694	8.4
213.05568	3.7
215.06969	3.3
217.04956	8.5
217.08543	6.8
219.06555	15.1
221.08096	7.7
227.07016	30.5
229.08609	13.1
231.06564	16.1
235.05925	3.9
235.22070	2.9
245.08102	34.3
247.09508	2.3
249.07597	100.0
263.09198	5.9
273.07617	55.7
291.08698	33.1
309.09674	23.5
394.23029	2.2
444.92932	2.7
506.17749	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	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02744	0.7
53.03947	4.1
55.01870	1.8
55.05511	13.4
57.03431	1.6
57.07076	45.1
65.03944	1.9
66.92630	0.7
67.05504	28.0
69.03416	1.8
69.07067	11.0
69.86069	0.7
71.04985	1.5
71.08629	32.9
71.82141	0.6
74.13622	0.7
79.05496	14.3
81.03416	100.0
81.07056	30.3
83.04948	3.2
83.08620	28.5
85.06539	1.6
85.10181	15.9
91.05479	19.6
93.07043	9.0
95.04967	23.6
95.08605	34.2
97.02894	3.0
97.06537	2.2
97.10165	8.9
99.08077	0.8
99.11707	1.2
103.05475	1.0
105.07028	14.6
107.04968	6.2
107.08606	3.6
109.06521	2.4
109.10155	13.4
111.02554	0.7
111.04427	1.8
111.08067	7.3
111.11717	1.7
114.17390	0.6
115.05486	1.9
117.07012	2.2
117.57411	0.6
119.08578	11.9
119.34789	0.6
121.06499	2.2
121.10147	5.8
123.04453	1.1
123.08056	1.3
123.11706	5.6
125.13270	1.1
126.27728	0.7
128.06242	1.0
129.07011	10.1
131.08568	7.5
133.06494	2.3
133.10149	4.4
137.09656	1.1
137.13268	2.7
142.07791	3.0
145.10110	0.9
147.08084	3.6
147.11696	5.9
149.09622	4.3
151.14908	0.8
157.10110	9.3
165.12831	1.0
165.16422	0.7
174.25809	0.7
175.11174	9.7
193.12241	49.7
203.14383	1.1
221.22685	1.3
225.41580	0.8
229.15939	0.9
231.13750	1.5
239.23682	9.6
249.14883	7.4
313.27997	0.8
505.38901	89.9
506.38992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01876	2.5
55.05516	14.0
57.07076	42.6
65.03927	1.6
67.05504	29.3
69.03477	1.1
69.07075	12.8
69.58804	7.5
71.08631	33.5
79.05499	15.0
81.03419	100.0
81.07055	31.0
81.07507	1.8
83.05005	2.9
83.08622	29.9
83.09102	2.2
85.06552	1.5
85.10185	17.8
85.10700	1.1
90.46548	1.1
90.96974	1.1
91.05480	21.1
91.05994	1.5
93.07050	9.3
95.04967	25.2
95.05547	1.7
95.08608	29.6
97.02890	2.4
97.06562	1.6
97.10168	8.3
99.11739	1.3
105.07034	13.2
105.07666	1.3
107.04973	4.3
107.08621	3.6
109.06544	3.2
109.10160	16.1
111.08061	7.9
111.11759	3.0
115.05490	2.1
117.07059	1.7
119.04963	1.1
119.08588	9.9
121.06542	3.3
121.10179	4.4
123.08083	1.3
123.11713	6.2
128.06253	1.4
129.07011	11.7
131.08583	9.7
133.06535	2.9
133.10132	4.9
137.09616	1.6
137.13275	2.2
139.14763	1.1
142.07788	2.9
145.10197	1.9
147.08084	2.4
147.11700	5.8
149.09677	3.7
157.10136	9.0
163.13496	1.3
165.16388	1.0
175.11194	11.7
183.02690	2.0
193.12248	42.1
213.07744	1.1
213.12827	1.0
221.22784	1.1
231.13910	1.1
239.23735	10.6
249.14854	6.7
401.53711	1.1
505.39093	95.7
519.78943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01859	5.8
55.05502	20.1
57.03426	9.1
57.07063	9.2
66.78152	3.9
67.05163	5.3
67.05498	41.5
67.52776	3.9
69.03394	9.1
69.07066	39.4
71.04989	4.9
71.22406	5.0
71.22737	6.6
73.02912	6.7
79.05479	25.5
81.03401	8.0
81.07055	100.0
83.04970	6.8
83.08614	14.6
85.02914	21.9
85.06538	22.0
91.05467	28.8
93.07043	53.0
95.04967	11.5
95.08609	87.7
97.02892	7.8
97.06506	7.5
97.10159	5.3
98.97576	6.0
99.04413	4.4
99.08098	10.1
103.05420	6.3
105.07025	37.3
105.88824	4.2
107.04928	5.1
107.08587	45.0
109.06499	4.3
109.10151	55.5
111.08079	8.2
113.09637	4.9
113.98871	4.2
117.06984	8.6
119.08570	34.9
121.06455	7.8
121.10145	38.6
123.08085	8.0
123.11697	24.5
125.09671	5.5
127.03864	7.6
131.08568	11.6
133.10124	28.2
135.08066	6.9
135.11690	29.1
137.05962	32.2
137.09593	9.5
137.13277	7.2
139.11209	12.1
143.08481	6.5
145.10123	18.3
147.11702	23.0
149.09583	5.4
149.13246	22.1
149.86307	3.8
151.07512	6.9
153.12721	8.3
157.10141	6.6
159.11700	13.4
161.13283	21.6
163.07524	8.4
163.11145	4.5
163.14847	14.7
165.09175	12.0
165.12674	6.6
167.07071	7.3
173.13231	9.4
175.14813	16.6
177.09097	10.9
177.16374	6.0
187.14867	8.2
189.16373	12.9
193.15819	5.2
201.16460	9.4
205.15816	6.7
211.17049	5.8
215.17889	8.1
229.19473	4.4
233.63492	4.9
271.24203	8.6
277.25049	8.5
289.25214	17.7
293.11722	6.2
295.26205	7.8
307.26364	23.0
325.14310	9.4
325.27283	9.5
329.33707	4.3
419.19138	6.2
424.88242	5.0
505.19278	8.0
505.27081	55.5
505.33618	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.01868	3.2
55.05511	14.9
57.03438	2.6
57.07075	48.5
58.43438	1.1
65.03938	1.4
67.05504	36.1
69.03424	1.8
69.07065	13.0
71.05010	2.1
71.08630	32.2
79.05492	17.7
79.05946	1.2
81.03417	97.7
81.07060	41.8
83.04981	4.7
83.08617	33.4
85.02927	1.1
85.06545	1.7
85.10182	18.4
91.05482	25.7
92.28523	1.2
93.07059	11.5
94.49406	1.3
95.04967	27.1
95.08604	38.3
97.02938	2.3
97.06564	1.7
97.10184	7.6
99.11745	2.3
105.07034	16.2
107.04978	5.0
107.08590	5.7
109.06539	3.9
109.10159	19.9
111.04453	2.1
111.08080	7.8
111.11777	2.3
115.05464	1.8
117.07054	2.3
119.08588	16.0
121.06541	2.3
121.10138	5.9
123.11717	6.0
125.13268	1.6
129.07010	10.8
131.08565	8.6
133.06517	3.2
133.10138	6.8
135.11723	2.2
137.09628	2.0
137.13260	1.9
142.07838	1.9
147.08089	4.0
147.11678	7.9
147.85448	1.0
149.09564	4.9
157.10112	10.3
161.13303	1.7
165.12794	1.6
171.11693	1.1
175.11192	9.6
175.14763	1.2
179.14362	2.0
184.82513	1.2
185.13205	1.6
193.12244	63.4
229.14381	1.8
231.13831	1.9
239.23708	11.3
249.14853	8.0
256.89587	1.0
259.20602	3.3
460.47296	1.2
505.39020	100.0
506.39398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.05495	8.4
57.07077	3.1
60.04723	3.0
61.02924	4.3
67.05497	13.3
69.03414	10.0
69.07053	11.5
69.26314	10.9
69.26735	19.9
73.02915	5.7
73.35595	3.3
77.87925	3.3
79.48906	4.0
81.07045	11.6
83.02603	3.2
83.04976	6.6
83.08598	4.5
85.02903	10.6
93.07030	6.2
95.08613	27.0
97.02886	10.2
98.97561	3.9
105.07032	6.2
107.08593	17.1
109.06506	5.7
109.09438	5.8
109.10152	68.8
111.04556	3.1
115.03922	4.3
119.08573	30.7
121.10135	12.2
123.08025	10.3
123.11685	6.5
133.04982	5.6
133.10088	17.4
135.11691	67.0
137.09607	17.8
149.13246	6.5
151.11147	3.1
151.14806	9.4
167.42725	3.5
175.14798	34.8
184.16739	3.7
193.14209	4.1
193.15901	53.4
211.16931	100.0
241.52139	4.1
505.18573	4.6
516.16406	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	505.2646
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01876	5.2
55.05511	15.3
57.03429	10.0
59.04981	5.3
60.25049	4.7
60.39523	4.8
62.51297	4.6
67.05517	34.6
68.31046	5.2
69.03422	21.1
69.07071	25.2
69.45840	12.6
69.46251	27.9
71.04981	6.3
73.02911	13.0
79.05484	13.1
79.94542	5.2
81.03425	6.7
81.07055	39.3
83.04982	11.6
83.08606	10.3
85.02892	28.4
85.06531	13.1
87.41413	4.7
90.02022	4.3
91.05472	15.0
93.07054	28.9
95.04934	6.3
95.08608	60.8
97.02883	17.7
99.08110	9.5
104.77984	4.7
105.07035	13.7
107.08607	24.5
109.06498	10.2
109.10165	100.0
111.04420	4.6
111.08080	13.9
113.09633	4.6
115.03897	5.8
119.08604	41.5
121.10143	26.3
123.08058	18.0
123.11713	16.7
125.09653	5.9
127.03957	6.2
131.08586	9.3
133.04993	11.1
133.10129	27.2
135.08073	5.2
135.11691	46.8
137.06035	12.0
137.09631	34.0
139.11198	9.9
145.04977	7.9
145.10170	10.7
147.11635	6.7
149.09647	9.3
149.13280	5.9
150.06534	4.8
151.07559	26.5
151.14809	6.0
155.10568	5.8
159.08092	8.5
159.11607	7.7
161.09579	5.0
162.06776	4.7
163.07564	5.9
165.09099	39.0
169.06793	4.4
173.09679	5.6
173.11646	4.7
175.07565	8.2
175.14812	53.9
177.09126	65.0
189.09099	8.5
191.10599	31.2
193.15894	57.1
203.10657	27.2
205.12189	29.6
211.16930	95.2
243.13673	4.7
245.15269	4.9
271.16965	6.6
285.18234	6.1
297.18509	9.4
423.28799	6.9
441.29697	10.8
505.22711	52.8
505.30240	8.4
507.35355	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	505.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49208	6.0
55.05508	27.8
57.07074	9.1
59.48937	6.3
67.05499	40.3
69.03421	9.8
69.07068	40.0
69.22480	6.9
70.86163	14.4
71.04958	6.6
79.05492	23.1
81.07063	100.0
83.08613	12.9
85.02901	13.2
85.06561	32.2
91.05474	28.9
93.07044	58.2
95.04942	8.1
95.08615	96.1
99.08088	17.5
105.07014	39.6
107.08598	58.9
108.56712	8.4
109.10160	54.4
111.08081	12.1
111.11668	8.2
119.08580	20.7
121.09424	6.6
121.10145	39.4
123.11703	27.3
124.98372	6.0
125.09646	9.3
131.08592	17.3
133.10139	24.3
135.11665	35.4
137.13304	13.6
145.10144	13.7
147.11673	27.9
149.13237	38.6
159.11671	13.6
160.78864	6.2
161.13252	18.5
163.14839	14.1
173.13268	15.2
175.14787	10.6
177.16446	10.5
187.14775	15.8
189.16402	9.5
193.15752	7.2
201.16425	8.1
215.18028	7.4
271.24097	17.9
277.25238	6.2
289.25320	28.5
307.26251	14.5
325.27325	8.4
505.26239	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01868	3.9
55.05503	1.7
56.67049	1.7
57.03429	5.3
57.07093	1.6
61.02914	4.3
67.05499	2.1
69.03432	8.5
69.07054	3.0
69.93745	9.3
71.04975	2.8
73.02914	13.4
79.05494	3.3
81.03452	2.1
81.07042	11.6
84.04498	3.6
85.02419	2.0
85.02908	21.8
86.09702	2.5
87.00598	1.7
91.05466	7.4
93.07050	8.3
95.08607	18.1
97.02882	13.8
98.97578	3.3
99.04478	2.8
99.08110	3.7
105.07033	10.6
107.08596	13.0
109.02925	1.8
109.10140	2.8
113.09685	2.1
115.03931	5.2
115.94756	1.6
119.08591	53.6
121.10114	3.7
123.11706	4.0
125.07011	1.6
127.03904	6.0
129.06633	2.3
131.08557	2.4
133.04965	3.5
133.10133	79.9
135.11708	18.5
137.05986	3.3
137.09598	2.5
145.04970	6.8
147.11722	2.2
163.03845	2.5
163.05989	2.0
167.07051	1.9
175.14830	100.0
191.14388	1.6
192.65659	1.8
193.15894	23.1
211.16963	18.9
213.62981	1.6
229.85902	1.8
240.10107	1.8
241.07260	1.9
461.20056	6.0
487.21335	2.9
505.22391	78.9
506.22900	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86835	4.7
54.98577	5.0
55.01867	8.9
55.05501	20.0
56.96554	21.3
61.02922	8.6
65.03956	5.5
67.05502	31.2
69.03414	18.2
69.07077	25.2
69.56635	34.7
71.04980	14.6
73.02927	24.1
79.05468	20.6
81.03413	7.2
81.07057	59.2
83.04961	9.5
83.08601	15.5
85.02908	40.3
91.05466	18.3
93.07028	37.4
95.04964	13.9
95.08610	94.5
96.08879	4.9
97.02887	23.7
97.06525	18.5
97.10112	7.6
98.21539	10.6
98.97589	100.0
99.04474	5.8
105.07020	34.4
107.08598	62.1
109.02859	5.6
109.06492	11.9
109.10168	49.0
110.97546	27.0
111.04566	4.9
115.03922	8.8
116.98642	33.5
117.07026	5.4
119.08602	44.0
121.10142	32.3
123.08053	19.3
123.11722	36.0
125.09615	5.7
127.00661	5.9
127.03921	12.0
128.98601	22.4
131.00087	6.5
131.08553	15.0
133.04979	8.4
133.10146	44.5
134.99654	5.0
135.08009	15.2
135.11725	40.9
137.05956	11.9
137.09613	13.4
137.13266	6.6
145.04947	8.2
145.10164	28.4
146.99646	6.1
147.11649	17.8
149.01250	7.8
149.13266	34.2
150.13556	6.0
156.48799	5.1
157.10106	10.2
158.99713	31.7
159.11676	10.8
161.13217	15.2
163.14760	11.7
165.09106	5.9
165.12782	6.6
167.07085	10.2
170.18549	5.5
170.99602	36.2
171.11665	6.4
173.01331	5.8
173.13237	8.2
175.14806	41.0
177.00682	20.3
177.16327	9.5
181.04854	5.7
182.99632	5.7
185.01059	5.1
185.13245	8.7
187.14767	10.0
189.00732	28.0
191.14307	11.9
191.17987	9.2
192.14690	8.3
193.15924	45.9
199.14857	8.7
201.00691	10.0
201.12750	6.4
203.17969	11.3
205.19511	14.6
209.03319	19.2
211.15013	8.0
211.16934	65.3
213.00748	13.6
215.14195	7.4
215.18146	6.0
217.15884	6.2
219.01724	39.8
221.18976	9.1
231.01772	26.4
237.02835	28.6
261.02747	8.0
265.14462	6.1
273.02725	6.6
279.03912	5.3
291.03781	10.6
309.04889	8.4
351.06006	20.6
353.07416	28.7
354.08057	5.9
369.06970	19.9
371.08374	22.5
435.32086	6.7
453.33624	8.9
464.56769	5.4
485.54779	5.4
505.25790	11.8
505.37427	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	505.2256
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
65.89216	0.4
68.14413	0.4
69.95547	0.7
69.95941	1.2
75.50015	0.4
76.51706	0.4
81.07051	0.7
85.02908	0.8
92.76723	0.4
98.20747	0.6
133.10110	0.4
148.80295	0.4
154.77477	0.4
155.03152	0.4
175.14857	0.9
203.05254	1.6
238.72192	0.4
265.27478	0.5
275.07364	1.8
333.07944	3.1
335.09479	26.8
373.18466	2.1
444.67947	0.5
505.22568	100.0
506.22836	3.0
530.94476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68111	0.4
51.42213	0.4
56.96545	0.6
69.03414	0.5
69.99236	2.2
70.06593	0.6
73.02905	0.7
80.78597	0.4
83.50431	0.4
85.02908	1.4
86.09718	0.8
87.26944	0.4
91.05453	0.5
97.02882	0.6
98.97591	1.5
99.45331	0.3
109.10193	0.4
115.03984	0.5
119.08558	0.6
128.98648	0.5
133.04944	0.4
137.05936	0.6
167.07100	0.9
171.91301	0.4
175.14803	0.6
203.05344	0.9
211.13129	0.7
219.01668	0.6
237.02872	0.8
275.07339	1.0
335.09485	10.5
359.67407	0.4
373.18253	4.6
504.68884	0.6
505.22534	100.0
506.22864	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	505.2659
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01848	6.3
55.05507	22.6
56.96563	13.0
57.03436	17.0
57.07090	8.1
61.02935	7.3
65.03920	6.0
67.05504	30.5
68.98097	5.0
69.03435	31.3
69.07063	30.5
69.64330	13.4
69.64749	24.8
71.04987	23.7
72.01578	4.7
73.02911	34.8
74.72544	5.6
79.05486	23.6
81.03394	7.7
81.07063	77.6
81.14681	5.3
83.04967	9.4
83.08624	19.7
85.02908	61.7
85.06545	10.7
87.00814	6.2
91.05475	23.5
93.07038	55.2
95.04976	18.7
95.08608	99.9
97.02888	34.9
97.06536	24.4
98.20638	9.0
98.82334	5.9
98.97588	93.5
99.04427	6.1
99.97905	6.0
105.07021	43.5
107.08601	67.7
109.02955	5.3
109.06538	15.3
109.10133	44.0
110.97573	25.0
111.08097	7.6
115.03913	12.3
116.98658	28.9
116.99326	5.2
117.06994	9.3
119.08583	51.2
121.10180	43.3
123.08078	19.0
123.11694	32.4
125.05965	8.5
125.09645	12.8
127.00629	6.2
127.03955	6.3
127.11234	8.7
128.98607	14.4
129.05557	5.6
129.07030	6.5
131.00075	6.3
131.08585	10.3
133.04970	12.5
133.10146	48.9
134.99600	13.1
135.08076	17.5
135.11690	57.4
137.05986	23.0
137.09630	14.0
137.13251	18.7
145.04970	13.3
145.10118	21.2
146.99657	6.4
147.11707	27.2
149.09592	12.6
149.13275	34.5
157.10118	11.4
158.99638	26.1
159.11705	15.0
161.13300	16.4
163.07593	6.9
165.09091	9.3
167.10712	6.5
170.99675	29.2
171.11720	14.1
173.01251	6.4
173.13222	15.7
175.11162	8.5
175.14821	38.6
177.00769	15.8
177.09152	6.4
177.16451	6.8
181.04890	9.2
185.13318	6.8
189.00761	20.7
189.12737	6.2
191.02257	7.3
191.14297	25.1
191.17877	8.0
193.15987	53.7
194.99751	6.3
201.00735	9.0
201.12685	6.3
203.17932	15.5
205.19551	16.5
209.03249	8.5
210.35181	6.1
211.15038	9.2
211.16939	100.0
213.00658	13.7
215.18198	6.4
219.01772	34.8
220.01955	6.7
221.19073	8.8
231.01814	14.3
237.02841	22.8
261.02850	8.2
309.05048	6.0
351.06070	20.9
352.05978	6.2
353.07501	13.5
369.06970	16.8
370.07486	6.0
371.08655	19.0
371.19977	6.8
453.33386	7.2
497.12186	10.9
498.11813	5.7
505.26001	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05513	2.9
57.03429	0.8
57.07073	0.8
67.05491	1.9
69.03414	2.2
69.07062	7.8
71.61171	0.9
73.02927	3.7
79.05489	2.4
81.07055	6.3
83.08613	1.2
85.02901	2.7
91.05480	8.4
93.07030	4.0
95.08601	6.1
97.02879	1.7
98.97595	1.4
103.05441	0.8
105.07030	14.6
107.08597	6.0
109.10162	2.4
115.03908	1.3
116.98602	0.8
117.07020	2.6
119.08576	27.8
121.10147	4.6
123.11661	0.7
123.95890	0.6
127.03892	1.3
131.08565	2.4
133.09218	1.1
133.10135	13.2
135.11659	1.9
137.09689	0.6
142.71771	0.6
145.04974	1.1
145.10115	3.8
147.11681	8.0
149.13271	1.3
158.99663	0.9
160.12529	1.6
161.13330	0.6
175.14822	100.0
176.15169	1.7
177.05537	0.6
177.16394	6.6
180.10094	0.6
187.14877	0.7
193.15869	1.3
203.17883	1.7
205.19406	0.7
219.01869	0.9
237.02892	0.7
440.17078	0.7
486.35654	0.9
504.32681	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54955	0.8
53.03939	2.3
55.01866	1.6
55.05507	7.3
56.96560	1.3
57.03437	2.2
61.02919	1.9
65.03938	0.8
67.05502	4.8
69.03426	4.8
69.07068	12.3
70.06580	2.4
71.04983	1.0
71.61169	0.9
73.02915	10.8
74.51360	0.8
77.03942	1.0
79.05492	6.2
81.03397	1.9
81.07052	17.6
83.08623	3.1
85.02911	8.8
86.29200	0.8
91.05478	24.3
93.07049	11.1
95.04958	3.2
95.08028	1.6
95.08607	18.6
97.02897	6.5
97.06522	0.7
98.97576	3.8
103.05472	2.2
104.06237	2.1
105.07032	39.1
107.08601	14.6
109.06496	1.8
109.10135	5.0
110.97592	1.4
115.03930	3.0
115.05531	1.0
117.07027	6.0
119.08578	95.7
120.08875	0.9
121.10133	5.8
123.11716	2.1
127.03946	3.2
128.64369	0.7
128.98618	1.2
131.08578	4.7
133.04982	4.3
133.10127	53.7
134.10402	1.1
135.11711	2.7
137.06012	0.8
137.09641	1.1
145.02882	0.8
145.04993	3.9
145.10147	5.3
146.10815	0.8
147.11681	13.1
150.07591	0.8
158.99756	0.8
159.11668	1.9
160.12416	1.5
163.05980	2.2
163.11261	1.0
170.99626	2.4
173.13217	1.7
175.14827	100.0
177.05516	1.8
177.16328	1.0
183.11522	0.9
185.13278	0.9
187.14825	1.1
189.00705	0.9
189.16357	1.7
192.17497	10.9
193.15895	1.9
203.17973	2.2
217.16039	0.9
219.01779	1.6
237.02849	2.6
259.08279	2.2
263.52151	0.7
267.16080	1.0
307.19122	1.4
329.64899	0.8
369.07166	0.9
392.18784	1.2
401.19000	2.3
401.69229	0.9
474.21924	1.1
484.23105	2.4
486.32416	1.0
504.25555	1.3
504.36108	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	504.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	13.4
55.05510	42.8
57.07071	47.0
60.04525	17.0
67.05503	51.1
69.03427	12.0
69.07059	40.4
71.08631	37.0
71.61878	12.1
72.03707	11.9
79.05486	33.5
81.03405	100.0
81.07049	76.3
81.22998	12.6
83.08622	48.8
85.10190	28.6
91.05485	45.7
93.07045	37.9
94.85728	11.1
95.04978	25.3
95.08620	66.8
97.10183	14.8
101.25124	12.3
105.07054	29.9
107.08591	52.1
109.10153	23.3
111.08102	19.3
112.94032	14.6
119.08601	39.6
121.10152	29.0
123.11735	28.8
129.07030	17.3
131.08577	20.8
133.10173	28.4
135.11703	19.8
140.10725	14.7
143.73572	12.4
145.10129	17.1
149.13287	15.2
157.10144	23.5
164.94058	12.2
175.14815	16.2
177.16493	13.0
193.12294	44.9
251.20041	13.9
301.76611	13.4
311.36060	11.7
323.77597	13.7
423.36322	81.3
441.37653	22.3
459.38501	35.9
486.32178	17.8
486.41861	21.9
504.33502	51.7
504.38275	20.5
504.44205	41.1
505.39105	91.0
527.45618	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	503.2484
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
61.02908	1.4
69.03424	4.9
69.07074	0.9
71.12705	2.3
73.02902	2.7
81.03413	2.8
81.07049	1.2
83.04989	1.4
85.02917	11.7
94.31142	0.9
95.02048	0.9
95.04989	1.5
95.08591	2.1
97.02883	3.3
105.07085	1.4
107.08569	5.1
109.06516	3.2
119.08548	1.1
121.10130	5.5
123.08028	2.5
123.11670	1.9
127.03923	1.7
135.08080	1.4
137.09584	5.3
145.04967	2.7
147.11632	1.5
149.09622	6.5
149.13228	4.0
151.11162	11.8
165.12753	29.0
173.13254	1.1
191.14311	10.1
193.15895	2.6
209.15361	100.0
210.15579	1.0
348.28116	1.0
371.20468	4.9
416.00024	1.1
503.18762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2484
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
62.87454	3.4
67.05485	5.0
69.03440	4.4
69.85675	14.8
69.86086	5.3
80.89812	3.7
81.07047	5.3
91.05482	5.8
105.06998	3.9
107.08585	12.9
109.06482	6.2
109.10135	8.5
109.46233	4.1
121.10117	10.0
122.07286	3.2
133.10124	100.0
135.08008	10.8
137.09631	48.9
140.58704	3.2
149.13242	9.8
173.13252	4.5
191.14285	54.7
209.15358	22.2
240.70999	3.3
386.98459	3.6
503.18903	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	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	7.2
69.36302	35.0
76.10625	4.2
81.07076	5.5
98.20776	6.6
107.08598	17.5
109.06449	4.9
121.10166	11.3
122.07274	4.8
133.10133	100.0
135.08028	6.9
137.09615	60.1
146.59003	4.7
149.13239	10.2
153.19551	3.3
173.13251	5.5
191.14291	52.0
209.15392	18.1
348.20697	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81848	2.7
55.01865	2.9
55.05500	3.8
56.96567	6.4
60.23397	2.5
67.05495	5.7
69.03419	6.7
69.07069	11.1
71.04982	6.4
71.61390	2.4
77.80302	2.5
79.05473	3.8
81.07045	8.4
85.02895	10.4
91.05495	7.4
93.07041	16.7
95.08604	11.1
97.02899	2.9
97.06542	4.3
98.97565	13.0
105.07056	6.1
107.08595	17.3
109.06519	2.4
109.10166	9.1
110.97564	8.4
111.08080	3.7
116.98634	3.3
119.08590	10.4
120.28929	2.1
121.06515	13.6
121.10156	15.2
123.08100	3.9
127.03857	2.2
128.98625	2.8
131.08559	5.7
133.10175	11.6
135.08051	11.9
135.11633	5.6
137.05972	4.5
137.09540	2.5
145.10101	7.3
147.11674	29.0
149.09613	4.9
149.13226	7.2
149.79573	2.8
157.10083	3.1
158.99596	3.6
159.11639	4.8
161.09589	6.6
161.13237	3.9
163.14838	3.3
170.99657	4.0
173.13289	9.2
179.99104	2.4
189.16377	3.8
191.14307	100.0
201.00668	3.3
207.17375	3.0
209.15315	18.9
219.01727	6.4
221.03290	2.5
234.00888	2.6
237.02808	6.9
245.11739	3.4
351.06036	3.3
372.13535	2.4
400.18231	3.3
409.18866	2.9
473.21417	4.0
494.07211	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01849	1.1
55.05508	2.7
57.03428	1.5
59.64033	0.5
61.02914	1.6
67.05504	3.3
69.03430	3.9
69.07069	5.5
70.06589	1.0
71.14973	1.1
72.27554	0.6
72.73228	0.6
72.90549	0.6
73.02911	6.8
79.05497	3.2
81.03412	1.2
81.07053	7.5
83.08622	1.4
85.02906	8.9
87.00838	0.6
87.04465	0.6
91.05478	14.0
93.07034	5.2
95.04918	1.1
95.08610	12.4
97.02884	5.5
98.97572	0.7
99.04465	0.6
103.05447	1.6
104.06244	0.8
105.07030	20.9
107.08593	18.3
109.02899	1.4
109.10137	3.4
115.03905	1.9
117.07021	4.6
119.08581	100.0
121.10150	3.7
127.03936	4.0
131.08533	1.9
133.04985	3.4
133.10130	12.6
135.11711	1.0
145.04950	3.7
145.10089	1.3
147.11684	4.9
149.13266	1.7
159.11748	0.7
161.13295	2.6
163.05988	1.6
163.07422	0.5
173.13261	1.0
173.23247	0.6
175.14825	50.8
176.15213	0.8
177.16389	16.7
203.17990	4.5
241.07079	0.7
255.79697	0.6
259.08182	1.8
293.14188	0.7
295.10245	0.8
430.73654	0.6
504.32611	1.7
527.57410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80339	2.8
63.80680	2.4
66.72729	2.2
69.03438	3.3
69.07050	5.9
69.85634	8.3
69.86047	3.7
71.04961	3.3
79.05436	3.0
81.07049	5.6
83.04980	5.6
83.08609	3.9
85.02892	3.3
95.08604	13.6
96.79651	2.5
99.08106	2.7
105.07046	3.7
107.08601	19.6
109.06548	3.3
109.10149	9.5
119.08579	2.8
121.10153	21.3
125.09611	10.5
133.10120	9.5
135.08052	7.9
135.11720	3.1
137.09650	3.2
139.11145	3.9
147.11679	4.9
149.09598	7.6
149.13242	12.7
151.11186	53.1
163.14813	9.0
173.13249	7.8
191.14304	58.6
209.15369	100.0
232.61906	2.6
278.10846	3.0
497.95776	2.8
503.18817	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.51115	1.2
55.05507	4.1
57.03427	2.6
63.51863	1.4
66.60822	1.4
67.05496	3.1
69.03432	12.7
69.07048	3.9
71.61253	2.7
73.02886	2.6
79.05518	6.7
81.03386	1.9
81.07050	7.1
83.04971	6.1
85.02888	6.3
86.09676	4.7
91.05467	6.2
93.07038	4.9
95.04985	1.8
95.08605	5.0
97.02901	3.4
98.97553	2.9
105.07014	4.6
107.04974	3.1
107.08584	21.5
109.06518	5.4
109.10131	5.5
110.97528	1.9
112.66563	1.3
115.03931	2.3
115.05473	2.0
117.06967	2.9
119.08576	3.7
121.06519	4.2
121.10158	12.0
122.07266	2.1
127.03870	1.9
131.08571	3.6
133.05000	1.5
133.10127	100.0
135.08060	13.8
137.05945	1.8
137.09615	64.0
143.08556	1.7
145.10080	2.0
147.11700	7.1
149.13225	10.6
151.11151	2.7
158.10934	2.1
163.14857	2.6
170.99562	1.4
173.13298	8.5
191.14297	99.3
196.56322	1.5
209.15358	27.9
249.02951	2.1
291.03821	1.8
335.09647	3.3
371.16647	2.9
503.20584	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02323	1.5
55.01859	3.1
55.05500	7.1
56.96559	7.9
57.03426	4.1
57.07049	1.7
61.02911	3.9
67.05495	8.2
69.03431	9.1
69.07059	7.3
71.04967	1.7
73.02918	20.6
79.05478	6.4
81.07059	15.0
83.04964	5.0
83.08591	3.9
85.02908	17.6
85.06530	9.0
86.09692	2.3
86.60239	1.5
89.06025	4.6
91.05460	5.8
92.11472	1.6
93.07043	15.8
94.08909	1.6
95.04971	8.9
95.08595	15.0
97.02872	7.1
97.06516	3.5
98.20772	1.5
98.97585	22.2
99.04473	2.1
103.03929	3.4
105.07043	7.9
107.04926	2.5
107.08586	10.7
108.10916	1.8
109.06503	2.5
109.10149	6.9
110.97550	8.6
111.08057	3.5
112.99174	1.6
115.03937	4.3
116.98602	6.4
119.08562	8.2
121.10140	9.8
122.03593	2.3
123.08064	2.7
123.11690	4.6
125.05968	2.2
125.09600	2.6
127.03921	3.7
128.98595	7.6
131.08553	3.7
133.06453	1.9
133.10126	9.4
135.08028	4.4
135.11642	4.7
137.05975	38.6
137.09608	2.7
139.11166	6.7
143.00185	2.0
145.04922	2.6
145.10120	4.6
147.11679	5.2
149.06087	1.9
149.09607	7.6
149.13210	1.9
151.11134	4.2
158.99609	2.1
159.11671	5.1
161.05971	4.9
161.13248	3.1
163.11180	2.3
167.07043	2.9
167.14230	2.5
169.12340	2.1
170.89229	1.7
170.99608	5.1
171.11691	2.8
173.13228	6.0
175.07581	12.1
177.00659	2.9
181.12193	6.9
182.99678	2.0
187.07483	2.0
187.14838	2.3
189.00618	2.1
189.12692	2.6
189.16443	1.9
191.14320	7.9
195.10030	1.8
199.07532	2.7
201.00723	3.6
203.08722	2.1
207.13760	7.4
209.15317	8.6
219.01724	19.9
219.08081	3.2
227.09505	5.3
237.02829	20.1
245.10641	4.0
246.14896	4.0
249.02884	3.0
251.10760	3.3
263.53366	1.6
269.10294	2.1
279.10132	3.3
281.10483	2.5
287.23489	2.2
291.03802	4.3
291.10175	4.1
305.24692	3.5
311.12570	8.5
323.12653	4.8
332.10886	1.6
368.63129	1.7
371.13693	7.2
371.20575	1.8
377.01642	3.9
389.14694	10.0
503.18448	100.0
504.18802	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2099
Annotation	LY223982
Peak:m/z	Relative Intensity
62.19469	0.4
67.38853	0.4
69.03409	0.6
71.05466	1.1
73.02859	0.6
78.88754	0.6
85.02885	0.7
86.09684	0.8
91.05450	0.6
95.04948	0.4
97.02895	0.9
98.97621	0.6
105.07015	0.8
107.04898	0.4
130.99596	0.5
131.08592	0.5
133.10118	1.0
137.05952	1.1
139.31532	0.5
179.06934	0.5
184.17085	0.5
191.14409	0.6
206.75934	0.4
209.11516	0.7
209.15414	0.7
272.96957	0.5
333.07935	0.9
335.09760	0.9
362.44342	0.5
371.16742	2.2
441.00342	0.5
473.19943	1.2
483.42960	0.5
503.20996	100.0
504.21375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.8
56.96569	2.8
57.03420	6.9
58.06657	2.1
61.02920	6.3
64.70940	2.3
65.03958	2.8
67.05498	9.6
68.24580	3.1
69.03432	33.9
69.07052	9.7
71.04982	5.3
71.61584	3.0
71.61983	3.7
73.02920	21.1
79.00817	2.4
79.05489	8.1
81.03433	5.8
81.07051	16.9
83.04974	8.2
83.08605	4.2
84.04508	2.9
85.02910	27.3
85.06539	6.5
86.09695	6.4
91.05471	11.2
93.07045	20.5
95.04985	5.7
95.08607	19.3
97.02891	17.4
98.97578	20.8
99.04480	5.9
99.08076	3.7
105.07013	18.1
107.08593	45.3
109.02869	4.5
109.06514	7.3
109.10149	10.4
110.97561	7.3
111.04429	2.7
111.08076	7.2
111.13397	2.5
115.03954	4.7
117.07010	4.5
119.08578	18.5
121.06502	6.9
121.10149	24.0
123.08061	7.3
123.11690	8.8
125.09618	7.2
127.03878	12.6
128.98589	4.5
129.07045	3.6
131.08551	14.0
133.05011	4.3
133.06564	2.6
133.10147	29.3
135.08055	21.5
135.11703	7.2
136.07513	2.2
137.05974	12.1
137.09659	4.6
143.08542	6.8
145.04987	3.7
145.10127	15.4
147.11714	14.0
149.09619	14.4
149.13274	10.5
151.07544	3.4
151.11162	6.4
153.09077	5.2
154.25229	2.3
157.10176	3.2
158.10901	5.6
158.99657	5.5
159.11665	6.4
161.09584	4.6
161.13208	5.0
163.03922	2.6
163.07539	3.4
163.11163	6.4
163.14845	7.2
165.12753	10.8
167.10667	3.6
170.99658	6.8
171.11768	2.9
173.13289	19.5
177.00607	2.4
185.13289	3.2
187.14917	2.8
189.12709	2.8
191.14330	89.5
193.15907	2.5
197.13257	3.9
207.13843	5.4
209.15366	100.0
213.00761	2.7
215.14232	2.3
219.01750	5.8
223.57230	2.3
231.01732	4.1
233.15329	4.2
237.02945	4.2
249.02847	10.3
280.60724	3.1
291.03851	8.9
305.24814	4.4
323.18552	4.6
353.19315	3.2
361.78348	2.6
371.13516	3.6
371.20578	4.9
377.01871	3.0
438.06906	2.5
485.23746	3.6
503.18427	78.3
503.24487	12.0
503.30420	8.2
504.18872	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	503.1891
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.03937	0.8
56.96570	2.1
59.75289	0.8
67.05499	2.0
69.03426	1.4
69.07066	1.1
70.15080	1.8
73.02917	0.9
78.77298	0.8
79.05486	1.5
81.07054	3.1
84.96024	0.8
85.02900	3.1
85.06540	0.9
91.05487	1.6
93.07033	4.0
95.04967	1.8
95.08589	2.8
97.02891	1.0
98.20849	1.4
98.97585	7.3
105.06984	1.7
107.08608	2.9
109.06551	1.1
109.10175	2.0
110.97562	4.6
111.08036	0.8
115.03905	0.9
116.98632	2.4
119.08589	2.8
121.10142	2.1
123.08099	0.8
124.55075	0.8
125.09663	0.7
128.98611	2.4
131.08591	1.0
133.10112	1.8
135.08035	1.2
135.11739	0.8
137.05981	2.3
143.00270	1.0
143.08536	1.0
145.10107	1.0
146.99678	1.3
147.69754	0.9
149.09628	11.0
158.99701	1.3
159.11668	1.1
163.07603	0.9
170.99644	1.9
173.13206	0.8
177.00809	1.2
191.14313	1.8
194.43544	0.7
204.34233	0.7
209.15373	4.8
209.17111	0.8
219.01779	7.2
227.09592	1.7
231.13889	0.7
237.02827	7.5
245.10667	2.4
256.28738	0.9
269.10513	0.8
311.11807	0.9
371.13797	3.8
371.20941	1.1
389.14844	4.8
503.18762	100.0
504.19080	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	503.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
56.96557	1.5
62.24146	0.9
67.05497	1.0
69.03409	1.6
69.07065	1.3
70.47888	1.8
70.48241	1.0
73.02911	1.5
79.05479	1.2
81.07029	2.4
85.02899	2.7
86.09743	1.0
91.05482	2.3
93.07018	3.1
95.04916	0.9
95.08582	1.9
98.97586	12.2
105.07013	1.7
107.08572	3.0
109.10128	0.9
110.97581	6.4
112.65615	0.7
112.99186	0.9
116.98616	2.4
119.07633	0.7
119.08532	1.8
121.10120	1.7
124.99088	1.1
127.03956	0.8
128.98622	5.0
133.10104	1.8
133.57356	0.8
135.08012	1.0
137.09575	0.9
143.00148	1.1
145.10062	1.2
146.99637	0.9
159.11673	0.9
161.01201	1.1
170.99654	5.4
173.13232	1.1
182.99730	1.2
187.63914	0.9
189.00682	2.6
191.14291	1.0
201.00739	1.0
207.06508	1.5
230.59651	0.8
231.01822	5.3
249.02831	14.2
291.03900	11.8
323.17929	0.9
341.19226	1.2
365.82986	1.0
371.17059	0.9
413.74176	0.9
503.18817	100.0
504.18961	1.8
515.49384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
55.05508	1.9
56.96563	4.0
57.03446	7.2
57.07073	14.1
59.05003	100.0
61.02924	4.6
67.05493	2.5
67.87848	1.5
69.03437	12.2
70.25890	1.4
71.04985	1.5
71.16540	2.4
71.16889	2.0
73.02917	14.4
79.05486	2.0
79.68456	1.3
81.03411	2.6
81.07059	3.5
82.97706	1.4
84.96021	2.9
85.02424	1.8
85.02908	26.9
91.05461	2.0
93.07028	3.0
95.08572	3.6
97.02888	16.9
97.06532	1.5
98.97580	10.5
99.03792	1.4
99.04409	1.7
105.07013	2.9
107.08573	4.8
108.55164	1.3
109.02885	1.9
109.10161	3.3
110.97549	2.4
112.99165	1.7
115.03922	7.1
115.11214	28.9
116.98602	4.4
117.09101	2.9
119.08524	3.2
121.28240	1.3
123.08044	1.4
123.11712	1.6
127.03943	7.9
128.98592	2.5
133.04991	7.4
133.10139	13.6
135.08038	2.0
137.05975	3.1
137.09587	6.0
143.00096	1.9
145.05005	8.2
148.05945	1.5
158.99651	2.8
163.06053	3.3
173.15381	8.3
177.00615	2.0
191.14331	9.7
191.16414	73.0
201.00674	2.0
203.05296	2.3
209.15292	2.0
219.01787	4.2
223.05966	2.6
237.02849	3.6
313.16489	1.4
314.17267	1.7
322.24414	3.1
395.61380	2.1
415.20053	2.1
416.20453	13.5
426.35532	1.5
434.21307	3.5
458.21466	10.4
476.53915	1.5
502.23004	10.5
502.30530	34.3
503.31595	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	503.1735
Annotation	Phenazostatin C
Peak:m/z	Relative Intensity
52.11728	1.0
55.44652	1.0
56.96569	1.2
69.03439	0.9
70.53004	0.9
71.60959	1.3
83.01091	0.9
85.02883	1.2
91.05798	1.2
95.01063	1.6
98.97587	2.3
107.04979	2.9
110.97534	1.3
113.02126	1.5
154.25114	1.1
163.03931	2.1
167.05598	1.3
179.03409	2.7
185.04256	3.9
201.03723	1.2
205.04729	30.4
219.01775	2.8
237.02794	1.3
299.06094	2.1
351.33398	1.1
352.90720	1.1
354.28772	1.0
411.12601	2.2
503.17365	100.0
504.17215	1.3
515.07416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39803	5.0
52.27631	4.9
53.83358	5.2
55.05502	26.2
57.07081	7.5
67.05505	49.1
69.07063	24.0
71.62003	8.0
79.05485	37.3
81.07059	59.5
83.08604	14.8
83.12589	6.2
91.05477	38.2
93.07045	62.5
94.90005	5.9
95.04922	9.7
95.08608	87.9
97.06539	7.3
99.08098	5.8
105.07028	78.5
107.08593	97.7
109.06477	9.3
109.10156	61.1
115.05426	7.3
117.07053	15.0
119.08581	100.0
121.06508	10.4
121.10148	69.1
123.08070	7.6
123.11704	24.9
125.09604	6.2
131.08589	41.2
133.10133	67.3
135.08040	18.4
135.11691	46.4
137.09615	13.9
137.13205	6.4
143.08562	25.0
145.10120	59.9
147.08029	10.4
147.11670	55.7
149.09613	15.3
149.13239	32.2
151.07573	6.5
155.08536	9.1
157.10107	25.4
158.10909	8.1
159.11606	33.8
161.09572	19.9
161.13297	37.7
163.07535	17.5
163.11165	14.5
163.14821	20.5
165.12782	8.2
167.10663	6.7
171.11719	23.9
173.09662	10.4
173.13260	90.1
175.11168	9.9
175.14844	97.2
177.09067	6.2
177.16347	25.8
179.10638	7.4
179.14195	9.1
183.11676	8.7
185.09608	7.2
185.13263	22.1
187.11192	6.9
187.14777	32.3
189.12756	9.5
189.16353	31.0
191.10503	6.9
191.14333	30.7
191.17989	8.2
193.15994	6.8
197.13274	15.9
199.11171	17.8
199.14836	13.6
201.12761	21.9
201.16399	15.5
203.14325	22.0
203.17958	67.5
207.13776	12.0
211.14819	14.2
213.12740	7.7
213.16496	7.1
215.14268	9.5
215.17793	8.2
219.13802	11.8
227.14381	9.5
231.13890	9.9
233.15393	29.8
235.16898	45.5
245.15558	9.2
247.16859	6.6
249.14998	7.2
249.18535	21.8
251.16228	36.0
259.13312	9.6
263.12753	8.6
331.54044	6.6
357.40198	6.9
365.19852	7.1
377.32452	10.1
419.29492	7.9
423.32339	18.1
437.30157	10.5
437.35132	10.0
441.29895	14.1
455.31454	21.4
465.30042	10.7
475.22977	6.2
483.30875	47.6
501.31937	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
58.23364	0.5
58.29202	0.5
60.75274	0.4
62.49345	0.5
63.22736	0.5
69.03423	2.8
70.06588	0.7
70.61601	1.7
70.94748	0.5
73.02917	0.5
81.03432	1.3
83.04945	0.6
85.02910	6.4
87.04480	0.6
97.02908	2.6
98.97594	1.1
99.04474	0.6
104.04926	0.7
109.02855	1.2
116.98584	0.8
127.03905	1.0
132.04419	2.4
135.04350	0.8
137.05986	0.6
145.02867	0.8
145.04980	0.7
147.04387	1.2
163.03940	3.3
177.05495	0.6
178.04993	100.0
179.05421	1.0
219.01726	0.7
237.02737	0.6
340.10278	11.5
352.15842	0.6
502.15408	1.0
502.27396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01865	0.4
56.96556	0.3
57.03419	0.7
61.02937	1.2
69.03427	2.4
71.04994	0.3
71.60522	0.3
72.08146	0.6
73.02907	1.0
77.05172	0.2
81.03416	1.1
81.07038	0.2
85.02905	6.3
86.09698	0.7
87.04462	0.5
91.03954	0.5
91.05524	0.2
92.30040	0.2
93.07054	0.2
93.63571	0.2
95.04967	0.2
97.02889	2.6
98.97587	0.6
99.04469	0.5
104.04990	0.4
107.08565	0.4
109.02900	0.9
110.97574	0.2
120.53336	0.2
122.06030	0.4
127.03938	1.5
130.99138	0.2
132.04454	3.0
137.05969	0.3
145.04958	1.3
147.04507	0.2
160.03963	0.4
163.37854	0.2
178.04993	100.0
179.05389	1.0
190.15845	0.4
203.07610	0.4
219.01743	0.2
231.90790	0.2
243.08951	0.2
249.02834	0.2
261.10037	1.2
331.59689	0.2
340.10284	12.6
341.10486	0.2
370.22314	0.3
405.14249	0.5
440.60806	0.2
496.14944	0.2
502.16068	5.3
502.26849	0.2
503.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33313	0.5
55.05499	1.5
55.59915	0.6
61.57829	0.6
67.05499	2.0
69.07037	1.5
71.61806	0.5
71.62264	1.1
79.05473	1.3
81.07054	3.3
83.08601	0.8
91.05479	1.8
93.07042	2.6
93.15551	0.5
95.04912	0.6
95.08620	3.4
103.62341	0.6
105.07017	2.2
107.08560	3.3
109.10176	1.9
117.07041	0.7
119.08588	6.2
121.10155	5.3
123.11695	1.1
131.08580	1.7
133.10112	2.6
135.11703	1.7
143.08592	1.0
145.10129	1.9
147.11676	1.4
149.13297	0.9
157.10089	0.9
159.11681	2.0
161.09554	0.8
161.13286	3.6
163.11201	0.6
163.14804	2.0
168.99666	0.6
171.11696	1.7
173.13237	1.9
175.14825	1.6
177.16473	0.8
179.14288	1.6
185.13191	1.0
187.14813	1.8
189.16357	1.2
194.77251	0.6
197.13260	0.7
199.14760	0.6
207.13855	0.9
228.23364	0.9
249.37604	0.6
256.26389	0.9
337.20206	0.8
347.06955	0.6
441.29565	0.9
443.73129	0.6
455.31290	0.9
481.13708	0.7
483.30585	1.6
501.35794	100.0
502.35645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3551
Annotation	Morinin K
Peak:m/z	Relative Intensity
71.31826	0.5
71.32174	0.8
79.05511	0.5
81.07053	0.5
86.09703	0.8
93.07021	0.6
95.08580	0.6
119.08601	0.5
121.10162	0.6
133.10155	0.5
246.63194	0.5
501.35538	100.0
502.36185	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.05496	11.1
61.55457	6.1
67.05502	15.6
69.07053	14.2
69.94254	30.6
79.05482	14.7
81.07053	34.7
83.08610	7.2
85.97286	6.4
91.05470	16.1
93.07041	22.3
95.08598	56.3
98.21477	6.8
105.07023	39.7
106.64034	7.1
107.08611	48.9
108.54529	6.3
109.10188	29.2
115.57039	6.1
117.07068	8.8
119.08576	63.6
119.47665	5.2
121.10151	31.6
131.08594	31.4
133.10143	44.6
135.08052	10.3
135.11656	13.9
143.08545	12.2
145.10129	25.9
147.11665	26.8
149.13277	17.1
157.10132	9.3
159.11673	14.5
161.13202	17.6
163.07535	27.8
163.14792	19.2
171.11702	11.9
173.13255	69.6
175.14816	100.0
177.16379	14.0
185.13321	8.8
187.14822	26.2
189.16376	18.8
191.14307	39.4
191.17836	8.6
197.00937	6.1
199.14720	12.2
201.12700	25.0
201.16426	11.4
203.14330	7.8
203.17979	89.8
205.19543	5.9
207.13853	8.1
213.16238	8.0
215.17955	6.8
219.13658	7.2
233.15358	40.8
235.16917	53.9
247.16948	7.6
249.18468	13.2
251.16479	57.8
377.31992	8.5
395.33099	10.5
405.31659	8.0
423.32385	24.1
437.34192	30.1
455.35236	20.2
501.36011	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	501.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19485	1.0
71.62249	1.7
81.07070	1.6
84.14761	1.0
95.08656	1.6
138.37386	1.1
139.03519	1.1
157.06305	1.8
219.06245	6.8
220.07793	1.3
234.16728	1.2
311.72388	1.2
353.38409	1.1
376.10040	1.2
439.35797	1.4
457.36969	5.8
501.36371	100.0
509.96530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3554
Annotation	Morinin K
Peak:m/z	Relative Intensity
59.06114	0.4
67.05522	0.6
69.07067	0.7
69.56761	1.2
69.57187	1.3
71.06055	0.4
79.05508	0.4
81.07062	1.2
82.57143	0.3
83.08598	0.6
91.05480	0.9
93.07050	0.9
95.04932	0.5
95.08623	1.3
105.07027	0.5
106.69025	0.3
107.08621	1.0
109.10203	0.5
119.08607	0.5
121.10143	0.9
125.80000	0.3
133.10162	0.5
135.11723	0.7
143.04997	0.4
160.07135	0.4
167.30151	0.3
284.32449	0.4
501.35587	100.0
502.35825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3553
Annotation	Morinin K
Peak:m/z	Relative Intensity
55.05513	0.9
57.07061	0.9
59.06121	2.2
67.05483	2.3
69.07063	1.3
79.05472	1.0
81.07037	2.5
91.05464	1.0
93.07056	1.1
95.08610	1.9
98.20667	0.9
105.07031	1.7
107.08573	2.3
108.96026	0.7
109.10156	0.8
119.08617	0.9
121.10124	1.2
123.11703	1.4
133.10127	1.7
135.11688	0.9
171.11641	0.8
173.13319	0.9
188.59856	0.8
219.02667	1.2
221.04195	1.0
229.30302	0.9
261.64130	0.7
347.11328	0.7
361.90186	0.9
483.35031	1.3
501.35577	100.0
502.34839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3559
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
51.74071	0.9
55.05513	1.6
57.07078	0.9
61.02928	1.0
67.05510	2.3
69.03452	0.8
69.07069	2.0
73.02882	0.7
79.05505	1.7
81.07076	3.2
83.08630	0.7
85.02914	1.4
91.03990	0.9
91.05486	1.6
93.07052	2.2
95.08603	4.4
96.46861	0.7
97.02881	0.8
97.10175	0.7
98.20755	1.6
105.07054	2.5
107.08601	2.2
109.10172	2.5
119.08533	1.4
121.06557	0.9
121.10200	2.8
123.11736	0.8
131.08588	0.8
133.10211	1.3
135.08119	0.7
135.11703	1.1
143.08658	0.8
145.10147	1.2
147.04477	1.1
147.11761	1.2
159.11734	1.7
161.09712	0.8
163.14998	0.8
163.50929	0.7
177.16452	0.8
185.13373	1.0
219.02615	4.7
339.29175	1.1
411.15823	0.8
451.32672	0.7
483.34879	2.4
501.35767	100.0
502.36029	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3212
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.05512	2.2
57.03435	1.1
59.29279	0.8
59.48248	0.7
67.05505	2.8
69.03428	2.1
69.07060	2.2
71.05014	1.0
79.05491	4.0
80.94382	0.6
81.03429	1.3
81.07056	8.9
83.04976	1.1
83.08595	0.7
85.02916	2.3
86.09734	1.8
87.04459	1.3
91.05482	4.8
93.07050	7.9
95.04995	2.1
95.08601	6.7
97.02884	1.4
97.06520	1.8
97.10131	0.7
99.04448	1.4
99.08134	0.8
105.07043	7.1
107.04964	0.8
107.08600	8.8
109.02827	0.7
109.06503	1.7
109.10164	6.3
111.08100	1.2
117.06999	1.9
119.08578	10.2
121.06560	1.3
121.10136	5.7
123.08088	1.3
123.11730	2.9
128.06241	1.8
129.07011	1.6
131.08580	5.6
133.10143	7.0
135.08029	1.0
135.11714	7.5
137.06007	0.9
137.09641	1.4
137.13290	0.9
142.07796	1.1
143.08577	4.6
145.06519	1.2
145.10120	6.8
145.29164	0.9
147.08043	9.3
147.11671	4.2
149.06079	1.1
149.13239	1.4
151.11290	0.7
153.05528	0.8
155.08534	0.9
156.09338	2.2
157.10173	3.1
159.08080	11.6
159.11707	5.3
161.06012	0.9
161.09579	4.3
161.13304	1.9
163.11253	1.1
163.14854	1.1
165.09091	1.0
167.07085	0.9
169.10149	3.9
171.08063	1.5
171.11674	4.8
173.06017	2.1
173.09648	8.6
173.13333	1.7
174.10316	1.1
175.07610	2.3
175.11223	3.3
175.14830	2.2
183.11842	1.4
187.11197	4.5
187.14899	1.2
189.12755	2.5
189.16409	7.8
191.07047	9.3
191.17831	1.3
197.09654	5.0
199.11229	2.2
201.09007	1.0
201.12720	1.4
203.07097	1.7
203.17984	1.3
205.08701	1.0
207.17465	6.7
211.14807	0.9
213.12741	1.0
215.10701	7.9
215.14127	1.3
217.12323	2.1
229.12286	2.8
231.13899	1.0
233.11745	9.8
235.13144	1.1
235.16992	1.5
238.88951	0.9
243.13551	0.8
247.13336	1.1
261.11243	22.9
261.14017	1.4
275.12778	3.1
279.12369	4.6
293.13992	2.0
306.17441	0.7
321.23984	2.3
383.29517	1.2
403.41083	1.0
415.28470	3.2
419.29807	0.9
437.30774	2.5
455.31631	10.3
465.30359	1.3
483.31067	8.0
501.32016	100.0
502.32535	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	501.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01854	0.8
56.96552	0.7
57.03430	2.1
61.02932	1.9
69.03431	8.2
69.07056	0.6
69.09695	0.4
71.01363	0.8
71.04980	1.8
71.45368	0.7
72.16399	0.4
73.02930	2.5
78.63269	0.4
81.03404	2.4
81.07052	0.6
85.02897	4.7
87.04465	0.8
87.32523	0.4
97.02905	2.3
98.97578	1.5
99.04465	2.0
109.02869	0.9
127.03873	0.6
133.04974	0.4
145.04897	0.4
147.08014	0.6
147.09134	0.7
160.08650	0.6
161.09471	1.2
162.10269	17.3
163.03972	0.5
163.08754	0.4
174.10304	1.2
175.08641	0.6
176.03456	0.4
184.88461	0.4
185.09471	0.5
186.10284	1.6
187.13576	0.4
188.08195	44.8
188.11745	1.0
189.12659	0.5
191.14301	0.4
200.08165	0.9
200.11870	1.2
204.11296	1.2
206.09267	0.9
212.11826	0.9
216.11211	0.4
218.12987	0.5
230.09235	0.4
230.12801	1.1
242.12955	0.5
249.51466	0.4
260.13919	0.9
261.10037	0.7
278.15042	7.6
296.16031	5.6
304.12933	1.6
322.13971	100.0
323.14270	0.5
339.16702	5.0
340.15137	1.0
440.20325	0.5
484.19281	36.8
485.19476	0.4
501.15601	8.9
501.21939	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	501.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93272	1.3
61.93119	1.2
71.38490	2.9
71.97134	1.6
73.86093	1.2
76.92161	1.3
88.05262	1.3
107.34068	1.3
158.92213	79.7
174.89581	4.6
185.04201	10.2
203.05270	27.9
204.71423	1.3
209.85020	1.4
215.44740	1.5
218.93050	4.1
225.71196	1.4
236.94080	2.3
245.05051	2.3
248.94089	1.9
278.94974	1.5
319.75235	1.4
365.10562	100.0
372.79178	1.5
381.07913	28.6
400.81537	1.6
501.11441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1577
Annotation	KN-93
Peak:m/z	Relative Intensity
51.61893	0.5
54.13925	0.5
57.85942	0.5
68.35823	0.5
69.03442	0.7
70.72907	1.4
71.78503	0.5
77.90285	0.6
81.07057	0.6
81.75491	0.6
83.53107	0.4
85.02886	0.9
93.07047	0.6
97.02904	1.0
98.97568	1.4
110.97534	0.8
116.26006	0.6
154.13043	0.8
162.10313	0.9
176.03412	1.5
176.53456	0.6
185.03903	0.9
188.08228	2.0
209.51927	0.5
234.16110	0.5
261.10013	1.8
261.60165	1.2
322.13928	3.7
353.49753	0.6
415.62048	0.7
471.11563	0.6
484.19373	1.8
501.15775	100.0
502.16272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	21.3
67.89511	1.7
69.03440	1.6
70.71780	2.1
70.72095	2.9
71.95276	1.9
76.08559	1.7
79.05475	2.2
81.07064	4.3
84.96045	15.0
85.02937	1.9
85.06570	2.0
86.09638	1.7
88.22122	1.5
88.24408	1.5
91.05503	1.7
93.07058	3.5
95.04978	2.3
95.08617	3.4
97.02956	1.7
97.06509	1.8
97.96829	1.6
98.97587	79.3
103.00719	2.4
107.08588	3.2
109.10147	3.6
110.97578	25.8
112.99147	5.9
116.98618	24.1
121.10134	3.3
124.99129	2.6
128.98604	17.8
131.00212	3.9
133.10132	2.3
134.99672	1.9
137.09644	2.1
140.98598	7.7
143.00194	6.5
144.98082	3.7
146.99640	4.7
151.07414	1.7
152.98569	5.6
158.99678	18.0
161.01216	4.2
170.99666	8.6
177.00752	10.8
189.00627	3.9
201.00687	8.2
219.01759	39.8
237.02837	30.1
243.12698	2.1
253.14845	2.4
269.14322	7.9
271.15762	6.0
287.15390	7.1
289.16916	3.5
295.15900	9.2
311.15555	1.9
313.16864	21.3
321.24094	3.5
329.33154	1.6
331.17996	3.5
355.18079	3.1
397.18869	15.5
415.20059	100.0
433.21118	41.6
440.33026	2.3
457.21078	71.2
501.21518	24.0
501.30322	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	499.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18824	1.1
55.05499	1.9
56.96553	12.1
58.08255	1.2
59.36380	1.2
67.05506	2.0
69.07058	3.8
70.53271	5.1
71.95256	2.2
79.05497	1.5
81.07024	2.8
83.65221	1.4
84.96026	6.1
89.03919	3.8
93.07019	5.8
95.08597	6.7
97.96815	3.2
98.97580	100.0
107.08605	9.3
109.10153	2.4
110.97565	7.4
112.99115	14.2
115.20097	1.3
116.98605	24.0
117.03368	3.6
121.10155	10.7
128.98611	4.8
131.00157	11.5
134.99606	4.2
135.04401	8.9
135.11633	3.0
137.13226	1.9
140.00211	1.8
140.98582	4.9
144.98058	5.0
145.02844	3.6
152.98561	2.0
158.99652	31.6
159.00853	2.5
163.03894	43.9
170.99638	2.4
173.01212	17.1
177.00703	18.8
177.16373	3.5
184.97523	2.9
191.02242	6.9
201.00723	5.2
202.98669	4.0
219.01770	11.8
237.02808	6.7
238.88847	1.5
244.99757	6.4
249.32489	1.5
287.15131	1.5
293.14160	5.1
311.15228	12.9
319.08038	5.4
329.16281	4.7
353.16211	3.0
413.18417	26.9
431.19550	77.2
432.19574	1.8
454.21036	2.6
455.19302	15.1
473.20590	21.0
499.11826	1.7
499.19696	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2149
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
54.30225	0.4
56.50212	0.4
66.07872	0.3
70.75568	0.7
70.75906	0.4
85.02867	0.4
105.07011	0.4
110.54137	0.3
122.22008	0.3
133.10121	0.5
158.33415	0.4
175.60527	0.4
185.04280	1.0
243.08345	0.8
249.13148	0.5
311.13626	0.4
331.09982	45.0
374.14444	0.5
499.21521	100.0
500.21667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
56.96569	1.6
57.03431	4.0
57.07048	1.1
59.04987	1.7
59.22500	1.0
60.46109	0.9
61.02925	1.1
63.55526	1.0
67.05503	3.3
69.03429	7.3
69.07059	8.1
69.97714	1.0
70.06599	5.5
70.99970	2.4
71.04995	12.8
73.02921	7.0
79.05493	5.6
79.69337	1.0
79.79680	1.1
81.03432	2.1
81.07060	44.3
83.04972	2.1
85.02903	10.9
85.06534	1.2
86.09718	1.9
87.04465	1.8
91.05510	1.3
93.07063	3.0
95.04938	1.8
95.08613	2.7
97.02892	6.4
97.06538	4.2
97.10175	1.5
98.97588	2.0
99.04456	1.3
99.08111	2.1
105.07026	1.6
107.08602	8.3
109.02905	1.3
109.06534	2.7
109.10162	11.2
111.08131	1.1
111.11706	5.0
115.03925	2.3
123.08077	1.7
123.11699	12.1
127.03933	3.7
133.04971	2.0
133.10191	3.0
138.85611	0.9
139.09087	0.9
139.11209	6.9
145.04958	2.7
151.11197	18.6
153.12755	1.5
157.12241	11.9
163.03920	4.3
167.07137	1.6
169.12241	24.4
169.13626	1.5
187.13292	100.0
201.12361	5.4
205.14337	11.9
219.01773	1.1
237.02821	0.9
269.09723	1.4
347.30377	1.0
367.09647	1.7
499.14224	37.0
499.21582	2.6
500.14801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	1.0
56.96550	2.2
63.65141	0.9
65.03930	3.0
69.03418	3.6
70.95897	1.1
71.20792	1.0
71.21130	2.1
79.05472	1.2
81.03407	1.8
84.08170	1.1
85.02917	6.2
85.13773	1.0
85.22907	1.0
92.04979	4.4
96.08128	3.4
97.02885	3.3
98.97566	3.1
100.86691	1.3
109.06500	1.3
116.98565	1.7
122.06035	1.8
124.07589	4.5
126.09159	10.7
127.03923	1.1
129.94749	1.0
138.09137	3.2
148.03880	2.9
150.05473	1.8
152.07057	27.5
161.03003	1.4
163.03885	5.5
166.04991	55.1
176.03415	9.1
179.03392	2.3
182.04521	7.7
194.04446	6.0
199.08636	1.7
212.09366	2.4
219.01680	1.7
225.10251	2.9
227.08186	1.7
227.11778	5.0
228.10182	2.4
233.09195	2.8
237.10123	1.5
240.08850	1.9
241.09602	1.4
243.11237	1.1
245.09280	1.2
253.09734	3.4
255.11340	5.5
257.09302	1.8
257.12720	1.6
259.07162	3.2
261.12186	1.2
271.10736	10.3
273.12186	2.5
283.10779	44.1
289.11804	8.5
301.08383	1.8
301.11829	34.3
319.12872	100.0
320.13083	1.6
337.18793	1.2
379.08344	2.3
445.12872	1.2
455.05804	1.1
499.12323	5.3
499.17599	21.1
499.29892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14322	0.3
51.78812	0.4
69.03422	0.8
69.07059	0.6
69.80647	1.6
70.73556	0.3
71.04977	1.2
71.70735	0.3
73.02904	0.6
79.05495	0.4
81.07053	2.5
84.02971	0.4
85.02902	1.0
97.02911	0.5
97.11696	0.3
98.20754	0.7
98.97587	0.6
109.10149	0.8
119.01940	0.4
127.03741	0.4
131.01936	0.6
143.01878	0.5
145.03552	0.6
151.11208	1.1
155.01941	0.6
155.03108	0.3
157.12259	0.8
161.02969	0.7
163.03903	1.0
169.03418	0.4
169.12259	1.4
173.02934	0.6
181.03455	0.7
187.13307	5.4
199.04623	0.4
203.04143	0.4
205.14319	0.9
221.02957	0.4
221.59473	0.4
223.04512	3.3
247.04588	0.5
261.05710	0.4
265.05612	1.1
283.06699	0.5
289.05582	0.6
301.05637	0.4
307.06485	0.4
317.08472	3.3
349.07971	0.5
367.09491	3.4
418.87912	0.4
420.28165	0.4
433.69281	0.4
439.11029	0.5
481.12042	0.5
499.14191	100.0
500.14569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.96562	11.4
67.05507	1.1
69.07053	3.9
70.63582	1.4
70.63920	2.5
79.05494	2.2
81.07035	3.2
84.96044	6.1
88.06630	1.0
91.05469	2.8
93.07040	5.9
95.08617	6.6
97.10168	1.4
97.96790	3.2
98.97587	100.0
105.07026	2.2
107.04983	1.1
107.08597	8.0
109.10139	1.8
110.97604	8.0
112.99136	15.6
113.88620	1.2
115.18555	1.2
115.97862	2.0
116.98624	26.0
117.03362	1.5
121.10136	12.5
124.95448	1.6
126.97026	1.5
128.98598	3.7
130.89227	1.1
131.00175	12.1
133.10109	1.2
134.99649	4.2
135.04373	4.1
135.11719	2.1
137.13234	2.0
140.98590	2.8
142.96547	1.2
143.00136	2.0
144.98117	2.6
145.02875	2.9
149.01213	3.5
153.40273	1.2
154.15108	1.1
158.99658	34.4
162.99142	1.5
163.03909	16.7
170.99657	1.6
173.01219	14.3
177.00732	18.9
177.16347	2.1
184.97621	1.3
189.00693	1.7
191.02275	9.6
200.02219	1.3
201.00673	3.8
202.98610	3.4
219.01778	10.6
237.02802	6.1
244.99689	5.2
293.14175	4.5
307.06573	1.2
311.15286	11.4
313.08154	1.1
319.08020	2.9
329.16266	4.0
353.16339	2.4
364.97171	1.3
413.18430	26.8
431.19568	72.9
432.19705	1.6
454.21054	3.0
455.19373	15.6
473.20563	20.7
499.19699	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	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04091	0.9
60.03937	0.8
61.02908	1.2
65.03923	2.4
69.03422	2.6
69.49200	4.1
69.49614	2.3
70.06569	1.1
79.05498	1.6
81.03404	1.1
81.05795	0.9
81.07043	3.3
85.02875	3.2
85.03348	0.9
89.03909	1.0
92.04999	3.9
93.06998	1.0
95.08610	1.8
96.08112	3.4
97.02893	2.2
97.06499	0.9
105.06999	1.1
109.06504	0.8
122.05988	1.2
124.07565	3.8
126.09150	10.1
127.03920	1.2
138.09137	3.4
145.02850	0.8
147.04393	0.9
148.03903	2.9
150.05508	1.3
152.07063	29.0
152.08264	2.0
158.09618	0.8
163.03918	4.7
166.04991	51.4
168.18883	0.9
169.12189	1.6
170.12537	1.3
176.03406	10.0
178.05035	1.3
182.04457	9.4
185.08347	1.0
194.04482	5.7
198.07845	1.5
199.08533	2.1
200.10736	1.3
209.10852	0.9
211.08583	1.5
211.12439	0.9
212.09445	2.8
215.08096	1.3
225.10219	1.8
227.08124	1.9
227.11800	5.1
228.10242	1.9
229.13309	1.3
233.09206	2.0
240.08900	3.0
242.10513	1.1
243.11264	1.2
253.09676	5.4
255.07587	1.1
255.11273	3.7
256.09637	1.0
257.09195	2.6
257.12894	1.8
259.07196	2.1
261.12311	1.4
270.10019	2.6
271.10776	11.2
272.09003	1.5
273.08755	1.8
273.12292	3.1
283.10739	44.8
288.11166	0.9
289.11804	8.1
301.11813	34.9
302.12006	1.0
319.12863	100.0
320.13303	1.7
481.18195	1.4
499.17508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10768	0.1
50.90302	0.1
53.03952	0.3
55.01883	0.2
55.05507	0.2
55.10788	0.1
59.05008	0.1
60.02735	0.1
63.02380	0.5
64.01857	0.1
65.03946	0.2
65.61844	0.2
66.91589	0.1
67.05507	0.7
69.03426	0.2
69.07089	0.2
71.61643	0.1
71.62032	0.1
79.05496	1.3
81.07047	0.3
83.04994	0.6
85.02914	0.3
89.03914	7.6
90.04266	0.2
91.05490	0.3
93.07047	0.2
95.04974	2.1
95.08598	0.3
98.97570	0.4
100.42913	0.1
105.04496	0.2
105.07043	0.3
107.04954	1.8
107.08641	0.2
109.10143	0.3
111.04435	0.4
111.08107	0.1
117.03379	9.9
119.08572	0.1
125.07899	0.1
126.99952	0.1
130.95457	0.1
135.04413	18.5
136.04781	0.1
145.02846	13.3
146.06938	0.1
158.99696	0.1
163.03900	100.0
164.04263	0.8
175.49707	0.1
181.04974	0.4
186.05527	0.3
219.01643	0.2
251.05597	0.2
258.44022	0.2
273.07443	0.2
319.08105	13.2
413.21390	0.3
445.17206	0.2
455.22284	0.7
499.12256	2.7
499.21375	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	499.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
63.02379	0.4
67.05491	0.5
69.27404	0.8
69.27828	1.2
79.05498	1.3
83.04961	0.5
87.28915	0.2
89.03915	8.1
91.05506	0.3
95.04970	2.3
105.04557	0.2
107.04950	1.9
111.04431	0.6
117.03380	10.7
128.10687	0.2
135.04419	18.6
136.67902	0.2
139.32307	0.2
145.02846	14.5
163.03903	100.0
164.04239	0.9
165.54852	0.2
181.04985	0.5
292.42526	0.2
319.08127	13.3
487.59085	0.2
499.12320	3.3
499.19458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.2
57.60438	0.5
69.03426	1.2
71.61150	0.8
81.07047	1.3
85.02879	1.4
86.77982	0.5
97.02893	0.9
98.97609	0.8
110.53239	0.5
117.03339	0.6
123.04382	0.7
131.01952	0.6
135.04390	1.2
137.05965	0.9
145.01416	0.5
151.11160	0.8
155.01888	0.8
163.03912	4.4
167.07056	0.8
169.03470	0.5
187.13293	2.3
203.03848	0.7
223.04529	3.7
233.06369	0.5
237.02986	0.6
241.05687	0.8
244.31932	0.6
247.04430	0.8
265.05542	0.9
283.06781	0.7
289.05453	0.8
317.08401	3.5
319.08527	0.5
325.07114	0.9
335.09116	0.6
337.08334	0.5
349.07498	0.7
367.09647	4.7
499.14102	100.0
500.14310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.03437	24.1
59.05008	14.7
61.02911	2.7
67.05500	6.7
68.88992	1.7
69.03429	82.6
69.07047	5.6
69.76649	7.8
69.77065	4.7
71.04990	13.3
73.02911	15.1
79.05482	7.1
81.07056	36.3
83.04966	2.9
85.02905	55.8
85.06532	5.2
87.04470	54.0
93.07056	3.5
95.04939	4.0
95.08632	2.1
97.02897	59.5
97.06525	10.0
99.04471	2.0
101.42838	2.0
105.07050	2.5
107.08569	13.6
109.02870	2.7
109.06508	4.0
109.10153	17.3
111.08057	3.6
111.11709	2.5
113.05996	2.0
115.03927	74.1
123.11707	19.4
127.03918	6.7
127.11150	3.0
133.04967	79.5
133.10136	3.6
139.11186	10.7
145.04951	8.6
150.07544	3.7
151.11185	45.3
157.12238	10.0
163.06024	2.4
169.12238	94.6
170.75366	2.3
187.13292	100.0
205.07147	2.3
259.08029	2.6
301.82156	2.1
393.14618	2.3
473.12054	2.1
498.24881	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	498.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
57.07077	38.8
65.35127	1.1
67.05506	2.6
69.07051	3.6
71.08632	28.1
71.62498	2.3
73.06552	7.4
79.05511	1.4
81.07041	4.6
83.08595	2.3
85.10187	23.3
87.04466	2.8
89.06033	100.0
91.05458	1.5
93.07051	2.7
95.08591	4.9
97.10155	4.1
99.11716	5.1
105.07052	1.7
107.07047	2.5
107.08559	4.1
109.10154	1.6
113.13303	2.1
116.47665	1.5
117.09122	4.4
121.10123	2.6
123.08083	1.3
130.08659	1.7
131.08521	1.4
133.08611	53.4
155.17937	4.7
161.09532	1.6
177.11209	17.2
199.20628	3.7
221.13770	3.8
239.14944	2.9
243.23166	9.1
283.17529	1.6
283.73358	1.3
287.25745	5.4
327.20258	10.3
349.67212	1.5
356.34729	1.9
385.04010	1.4
437.34470	1.4
481.37387	10.0
498.31537	2.4
498.36169	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	497.3604
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
55.05506	1.3
57.03439	0.8
61.02915	1.2
67.05505	2.8
69.03445	0.8
69.07072	0.8
72.38459	0.4
79.05509	2.2
81.03422	0.5
81.07056	3.7
83.08608	0.9
85.02917	1.3
91.03987	0.5
91.05487	1.2
93.07053	1.7
93.14140	0.4
95.08606	3.3
97.02921	0.6
97.06534	0.6
105.07066	1.1
107.08589	2.0
109.10203	1.2
117.07059	0.6
119.08625	1.2
121.10172	1.2
123.11709	0.7
131.08572	0.7
133.10175	0.8
135.11693	1.0
136.89958	0.4
143.08565	0.6
145.10182	1.4
147.11710	0.9
159.11790	0.8
161.13309	0.9
173.13376	0.5
185.13307	0.7
187.14873	0.6
204.93382	0.5
205.34024	0.4
209.13374	0.4
335.25897	0.7
341.64651	0.4
451.28662	0.5
497.36255	100.0
498.36847	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	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01876	0.8
55.05508	1.2
56.96569	1.2
57.03450	3.3
57.87899	0.7
59.05014	0.7
61.02910	2.3
62.47695	0.6
63.03875	0.7
67.05503	1.8
68.21271	0.7
69.03429	7.8
69.07073	1.0
70.93217	1.7
71.04998	8.9
73.02539	1.1
73.02919	12.6
79.05492	12.6
81.03445	1.1
81.07059	82.0
83.04977	5.2
85.02910	15.5
87.04482	1.1
89.06035	1.1
91.05456	2.3
93.07069	0.9
95.04943	1.9
95.08618	1.3
97.02896	10.7
97.06547	1.2
97.51750	0.6
98.97585	1.0
99.04449	1.4
105.07034	1.3
107.05012	0.8
107.08601	2.3
109.02905	1.4
109.06546	0.9
109.10155	4.1
115.03955	4.7
121.10140	0.6
123.11718	6.6
125.09579	0.9
127.03940	5.4
133.02907	0.7
133.04965	5.3
133.10103	1.5
139.11208	1.5
145.04959	5.1
146.88860	0.7
151.11185	8.3
163.03903	1.5
163.06033	2.0
169.12250	100.0
170.12514	0.9
187.13304	14.9
219.01762	0.8
223.05896	1.1
241.07129	1.3
259.08151	2.4
266.08014	1.0
290.09091	5.3
290.59290	1.4
295.10196	1.0
301.16437	1.2
498.19196	1.4
498.26236	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.7
54.72054	1.8
55.01867	6.5
55.05517	28.1
57.03181	2.6
57.03439	35.2
57.07063	4.7
57.12487	1.7
57.45545	1.9
57.49160	1.7
60.15498	1.8
61.02929	65.3
65.03932	7.2
67.05508	100.0
69.03433	41.7
69.07065	21.7
71.01369	9.8
71.04988	9.1
71.62069	2.6
72.44591	1.5
73.02920	29.8
79.05495	70.7
81.03418	24.2
81.07057	95.5
83.04981	8.0
83.08205	1.6
83.08632	12.7
85.02906	65.9
85.06532	4.2
87.04456	5.0
91.03965	35.4
91.05478	42.0
93.07049	70.5
95.04959	8.5
95.08609	73.1
97.02893	53.8
97.06516	7.2
97.10153	5.1
98.97578	2.5
99.04458	12.4
99.08062	2.6
101.02386	13.5
103.03938	11.1
105.04498	2.1
105.07039	35.5
106.05786	1.6
107.04949	3.4
107.08599	39.8
109.02892	9.2
109.06518	5.6
109.10160	36.9
111.04427	2.1
111.08078	2.7
111.11718	2.4
115.03913	5.7
117.05463	3.0
117.07019	14.6
119.08590	28.2
121.06472	2.2
121.10143	41.2
123.04470	1.9
123.08043	3.1
123.11712	15.9
125.09594	2.5
127.03914	25.3
128.06204	2.3
129.05429	6.1
129.06996	6.7
131.08560	22.4
133.06566	1.8
133.10136	20.0
135.08070	4.6
135.11708	26.0
137.05959	2.5
137.09576	3.9
137.13240	4.7
143.08557	4.5
145.04958	9.2
145.10095	15.0
147.08037	3.7
147.11725	15.1
149.09613	3.0
149.13269	12.4
155.08588	3.1
157.10121	5.6
159.08069	2.0
159.11684	13.2
161.09648	2.6
161.13249	11.2
163.11153	3.7
163.14832	4.8
165.12798	2.2
167.31573	1.6
171.11626	5.6
173.13271	11.6
175.11183	3.1
175.14810	6.8
177.12726	2.6
177.16426	3.1
183.06609	3.8
183.11780	3.2
185.13281	5.0
187.11195	2.0
187.14822	8.5
195.11737	2.2
197.13210	4.2
199.14731	4.6
201.07558	3.8
201.16292	2.4
211.14780	2.0
215.14223	3.0
226.38873	1.7
241.19328	1.9
243.21092	7.3
259.20459	3.3
261.22165	19.6
273.22095	2.9
277.21692	2.2
289.32983	1.8
301.21503	2.2
303.23090	2.9
311.05701	1.9
335.25809	69.7
351.23279	2.9
354.64337	1.9
358.16617	3.1
363.25266	3.7
369.24084	4.6
443.27567	3.0
461.28674	4.8
479.29904	3.4
497.30389	25.7
497.36679	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	497.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.4
69.03423	1.3
69.07061	1.1
69.39651	3.8
69.40063	1.3
71.04973	1.5
73.02888	1.0
78.04694	1.0
78.25723	0.5
79.05488	1.4
81.03416	1.4
81.07050	2.7
81.07462	0.5
83.57320	0.6
85.02882	2.0
87.90488	0.6
91.05482	1.9
93.07029	1.9
95.04980	0.7
95.08602	1.1
96.44394	0.6
97.02878	1.2
100.18534	0.5
105.07025	1.8
107.04946	1.5
107.08577	2.1
109.10141	1.5
121.06509	1.1
121.10174	1.1
123.04427	4.2
124.05193	1.4
127.03921	1.8
133.02838	1.0
133.06470	1.2
135.08083	0.6
135.11714	1.3
137.05945	1.4
145.04929	0.8
149.05998	2.0
151.03870	1.2
151.07520	1.3
152.04730	1.6
153.12756	3.9
154.13062	3.2
161.05965	1.8
163.03908	2.3
165.09081	0.6
167.07040	100.0
168.07451	1.5
181.08652	1.4
193.08615	5.3
209.08081	1.8
211.09644	5.8
241.10753	1.2
267.12216	3.1
281.24799	0.6
289.06888	0.6
299.25702	0.7
323.11957	0.7
324.85239	0.9
372.42862	0.6
497.19778	2.4
497.27588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05524	2.1
57.60960	0.4
66.40942	0.4
67.05499	0.6
68.18724	0.4
69.03426	0.5
69.07072	0.6
71.61593	0.7
79.05465	0.5
81.07047	2.1
83.04984	5.1
83.08614	1.9
85.06539	0.8
93.06984	0.8
95.04999	0.6
95.08612	1.3
97.10185	0.8
98.97617	0.8
105.07004	0.7
107.08603	1.5
109.06537	0.5
109.10139	2.1
111.08076	0.7
112.07580	0.6
116.00282	0.4
116.98576	0.5
121.10147	0.8
123.11725	0.9
125.09617	1.4
129.74615	0.4
131.08499	0.6
133.10149	0.7
135.11623	0.5
137.09694	0.4
138.25296	0.4
148.08559	0.5
151.11180	2.3
154.06937	0.4
161.09663	0.6
167.14339	7.6
196.95638	0.4
203.05414	0.6
209.15355	4.0
231.13547	1.9
239.86267	0.4
245.06313	1.1
249.14633	10.2
277.14224	1.0
289.05338	2.7
291.15591	0.7
320.68622	0.4
393.18451	1.1
411.19925	13.8
435.19702	0.6
440.20618	0.4
443.27924	0.5
452.64941	0.5
453.21008	25.1
454.21011	0.7
467.18689	0.8
497.19971	100.0
498.20407	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01865	0.9
57.03427	1.7
59.21547	0.7
67.05505	1.4
68.05008	1.1
69.03429	5.6
70.02959	11.1
71.19003	1.2
78.10183	0.8
79.46002	0.8
81.03398	1.7
85.02914	9.8
87.05596	1.6
95.04964	1.8
96.04482	2.5
97.02885	3.3
99.04444	1.2
109.02891	1.4
114.05529	9.7
115.03913	0.8
115.05434	2.3
123.04493	1.2
123.05556	2.4
125.05990	1.4
127.03889	2.6
128.06223	14.0
129.07054	4.4
131.08574	1.9
133.04961	1.1
137.05972	4.9
138.06306	2.3
139.05415	2.1
141.07002	8.0
142.07767	1.1
143.08559	14.3
145.06467	1.4
146.07245	2.0
152.06200	2.8
153.05637	1.6
153.06978	16.7
154.05820	1.4
155.05972	1.0
156.05714	4.3
157.06412	1.3
159.08069	2.4
163.03865	1.3
165.07021	6.6
167.03526	1.6
167.04926	3.9
167.06999	1.9
169.06500	11.3
170.07249	5.4
170.79863	0.9
171.08043	38.6
173.05954	1.3
174.06862	1.1
175.07521	1.4
177.07013	1.6
181.06227	4.8
181.07819	4.2
183.08127	1.1
184.05194	3.5
185.05923	2.3
185.08150	4.7
186.06871	1.1
186.08282	4.0
187.03873	1.0
187.07556	8.8
189.09059	1.3
193.06554	5.6
195.08072	1.6
197.05971	3.2
198.06746	1.3
199.07550	59.8
200.07896	1.2
201.05461	1.0
203.10748	1.0
205.06487	1.8
205.08574	2.2
211.07541	2.1
214.08467	0.9
216.07793	3.7
217.08681	7.8
221.03955	1.7
221.05981	20.9
222.06540	0.8
223.07526	1.4
225.09135	1.3
229.08722	4.6
231.10172	51.9
233.05989	1.3
236.81689	0.9
237.02708	0.9
239.07077	5.2
240.09946	1.1
246.11226	1.7
249.03030	1.7
249.05510	26.8
249.11209	28.3
250.06024	1.8
259.03934	1.7
261.09958	1.5
266.05591	1.0
267.06522	5.0
267.08960	1.2
268.09610	1.1
272.12808	1.5
274.10709	1.9
277.05005	12.8
278.05569	0.9
279.03870	0.9
279.06555	2.7
295.06015	39.6
295.09363	1.9
296.06323	1.7
300.12268	7.0
301.10516	1.4
305.04443	3.3
307.05917	1.2
317.14954	1.1
318.13385	38.9
323.05499	55.4
324.05899	1.4
335.10303	0.9
335.15991	4.0
480.18668	100.0
481.18839	2.9
497.10458	7.8
497.21252	2.3
498.11804	1.0
524.62067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.07056	1.2
67.05498	1.1
69.07053	1.4
71.08613	1.0
74.21265	1.1
81.07077	1.1
95.08598	1.6
106.71963	0.9
109.10140	1.7
119.08602	1.3
121.10201	1.4
153.05287	2.8
165.09351	0.9
177.54597	0.9
220.47891	1.0
250.13309	0.9
412.21301	0.9
474.80524	0.8
477.33325	8.2
495.34464	100.0
496.34888	2.2
506.55853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3447
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
53.05296	0.4
55.05504	0.5
57.07079	0.8
60.25510	0.5
67.05513	1.3
69.07069	0.7
71.62353	0.6
81.07064	0.9
83.08647	0.6
89.06050	2.0
91.05508	0.5
93.07040	0.7
95.08620	2.0
104.55659	0.5
107.08617	0.8
109.10164	1.2
119.08574	0.8
131.08586	0.7
133.08644	1.1
135.11774	0.6
137.06032	1.4
177.02852	0.5
193.83629	0.5
251.72240	0.5
261.24933	0.4
283.17590	1.5
283.34094	0.5
309.11755	0.5
321.88770	0.6
420.43970	0.5
443.92368	0.6
451.32065	0.7
477.33392	1.4
495.34433	100.0
496.34961	2.5
499.82846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.5
56.04989	0.4
57.03384	0.5
57.07022	0.7
57.24464	0.3
58.06559	0.5
60.08091	5.4
60.08426	0.6
67.05436	0.5
69.07020	0.4
71.07298	2.8
71.08578	0.5
71.61176	0.5
75.53647	0.3
78.91310	0.3
79.05444	0.4
81.06979	0.9
86.09710	28.2
86.10207	1.4
91.44552	0.3
95.08546	1.0
98.98467	2.8
104.10739	3.3
105.06944	0.4
107.08532	0.5
108.67741	0.3
109.10110	0.5
119.08501	0.5
121.10116	0.4
123.11637	0.5
125.00010	19.0
133.10095	0.3
160.95436	0.4
184.07346	100.0
185.07687	0.4
221.77042	0.3
302.64313	0.3
478.33804	1.2
496.17670	0.6
496.35196	11.2
497.31689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05501	0.5
56.05044	1.2
57.03440	0.6
57.07074	3.1
58.06581	1.1
59.07378	0.4
59.54037	0.2
60.08167	17.1
61.29061	0.2
61.88985	0.2
67.05515	0.6
68.55490	0.2
69.07056	0.4
70.29241	0.4
70.29662	0.6
71.07375	6.5
71.08630	2.1
76.21442	0.2
81.07053	1.1
82.37682	0.2
83.08611	0.7
85.10213	1.0
86.09707	48.5
87.10058	0.3
95.08614	1.8
97.10114	0.2
98.98467	3.8
104.10746	100.0
105.11087	0.4
105.65556	0.2
108.38309	0.2
109.10164	0.5
118.18794	0.2
119.08608	0.2
125.00006	28.4
163.01587	0.7
181.02580	0.2
184.07343	95.8
185.07709	0.5
258.11014	1.0
285.97427	0.2
313.27353	1.9
366.72522	0.2
389.66183	0.2
419.25662	0.3
478.26016	0.4
478.32947	8.6
496.34085	28.6
497.33978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.96529	0.6
57.03416	0.4
62.61812	0.4
63.15919	0.5
65.03907	0.9
67.05466	1.8
67.26021	0.4
69.03387	1.9
69.07027	0.4
69.56496	0.9
69.56903	3.1
70.02917	1.7
73.02910	0.8
73.52011	0.4
81.03385	0.6
83.04947	1.4
85.02908	2.7
87.04449	0.5
93.03358	0.7
95.04967	3.0
96.04474	0.9
97.02841	1.1
98.97530	0.8
110.97540	0.5
111.04435	1.0
114.05518	2.1
115.03852	0.5
115.05444	0.6
116.98625	0.5
121.02856	1.0
123.04395	0.8
125.05949	0.7
127.03852	0.9
128.06212	2.8
129.06972	0.9
133.02808	1.1
137.02296	0.7
137.05980	3.4
138.06317	1.0
139.03867	1.3
139.05408	0.4
141.06985	2.7
142.07756	0.6
143.08549	3.2
152.06218	1.1
153.05467	0.9
153.06955	3.8
153.95314	0.4
154.05872	0.7
155.08505	0.9
156.05692	0.8
161.02373	1.1
162.03139	0.6
163.03870	2.0
165.07001	10.2
167.03363	0.7
167.04893	0.9
169.06471	2.7
170.07245	1.3
171.08043	7.2
176.06131	0.5
177.06961	1.1
181.06427	1.4
183.08012	0.8
184.05255	0.7
185.05902	0.5
185.08060	2.3
186.08417	1.9
187.03891	0.8
187.07515	1.7
189.09302	0.6
193.06483	10.5
195.05998	0.5
195.08073	1.1
197.06004	2.3
197.07622	0.4
197.19759	0.4
199.07547	11.0
199.09340	0.9
203.04823	0.9
205.06456	1.7
205.08522	0.5
209.08023	0.7
210.06558	0.5
211.07542	3.6
216.07742	0.7
217.08592	1.0
221.05972	36.7
222.06465	0.7
223.07556	1.2
225.05409	1.6
229.08615	0.8
231.04512	1.0
231.10179	9.4
233.05992	1.4
237.05455	0.5
238.06120	0.8
239.07053	7.6
244.03418	0.4
249.05469	41.3
249.11075	5.4
250.06190	1.2
251.07034	0.9
253.04994	1.0
259.03867	2.7
266.05646	0.5
267.03815	0.7
267.06519	10.1
273.07617	0.5
277.04959	19.6
278.05527	1.0
279.06537	5.2
289.09726	0.6
294.05026	0.5
295.06006	70.7
296.06418	1.1
297.07498	0.8
300.12341	1.1
305.04376	4.7
307.06000	1.3
318.13382	7.2
323.05493	100.0
324.05838	1.7
335.10281	0.7
335.15921	0.6
480.18668	20.6
497.10666	18.5
497.16650	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	495.3446
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
52.18647	0.4
57.07084	0.6
66.72319	0.5
67.05507	1.1
67.08985	0.4
69.07059	1.1
71.08637	0.7
81.07047	1.4
83.08589	0.5
89.06000	0.6
95.08627	1.0
98.16176	0.4
109.10143	0.7
111.00587	0.6
112.82191	0.4
121.06496	0.4
153.05206	3.0
168.97569	0.4
204.98926	0.4
283.17548	0.6
433.34329	0.5
459.32669	0.9
463.78241	0.5
477.33420	10.9
477.40237	0.5
495.34457	100.0
496.34836	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.6
58.88631	0.8
58.91537	0.8
64.67079	0.8
67.05502	2.0
69.07069	1.6
69.39108	1.9
69.39520	5.7
71.08629	1.5
73.45976	0.8
81.07072	2.4
83.08592	1.2
86.87878	0.8
89.06036	1.2
91.05474	1.0
95.08623	2.5
97.10206	0.9
109.10154	1.5
113.42865	0.9
118.19765	0.8
120.62487	0.9
121.10165	1.0
147.11723	1.1
276.02744	0.8
283.26340	2.3
284.26645	4.7
336.37292	1.0
356.61334	0.8
438.78979	0.9
459.83978	1.1
477.33389	35.7
495.34485	100.0
496.34613	3.3
518.36041	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	495.3453
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
67.05503	1.8
69.07073	2.3
71.07411	0.6
71.08636	0.8
79.05499	1.0
81.07064	3.4
83.08669	1.0
89.06029	0.9
91.05521	0.9
93.07058	1.3
95.08617	2.8
98.20708	1.6
105.07040	1.1
105.29562	0.6
107.08609	1.4
109.10166	1.7
111.04443	0.7
119.08611	0.8
119.35417	0.6
121.10165	1.1
149.13280	0.9
159.08240	0.8
171.63997	0.6
206.99681	0.6
211.14728	0.6
234.84109	0.7
495.34625	100.0
496.35208	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	495.3315
Annotation	Makisterone B
Peak:m/z	Relative Intensity
51.04690	1.8
55.05514	13.0
55.93326	1.8
57.03437	3.3
57.07064	6.3
60.04521	2.8
60.12994	2.1
63.15647	2.2
67.05505	31.3
69.03429	5.8
69.07072	24.7
70.44506	2.8
70.44865	7.8
71.04990	2.7
73.12982	2.2
74.78326	1.9
76.55870	2.1
79.05492	19.4
81.03432	2.5
81.07060	81.4
83.01350	2.8
83.04983	3.6
83.08625	7.4
85.02921	5.1
85.06512	10.5
91.05482	12.0
93.07047	23.2
95.04958	3.7
95.08609	57.0
97.02873	2.4
97.06532	5.6
97.10176	5.1
99.00810	12.0
99.04468	6.2
99.08090	2.0
105.07035	13.2
107.05003	2.1
107.08592	20.0
109.02874	3.2
109.06524	7.5
109.10155	26.3
111.04478	3.0
111.08080	2.8
113.02429	2.2
117.07054	4.5
119.08555	11.1
121.06507	2.9
121.10116	14.2
122.55368	2.2
123.04432	2.6
123.08049	3.4
123.11710	13.1
124.43501	2.2
125.05987	4.2
125.09627	3.1
131.08560	4.5
133.10127	7.9
135.08049	3.9
135.11705	7.4
137.05975	6.8
137.09636	3.7
137.13251	4.9
139.07500	4.6
143.08571	5.4
145.10181	6.1
147.11703	6.5
149.05997	3.0
149.09608	3.3
149.13240	4.1
151.07584	6.5
153.01903	2.5
153.05499	5.1
155.07063	4.7
157.06580	2.7
157.10127	4.7
159.11703	4.5
161.06049	3.5
161.09631	4.3
161.13219	2.5
163.03932	2.6
163.11145	4.7
165.09148	5.8
167.07031	9.3
171.08023	3.9
175.07611	8.1
175.11166	3.5
177.05495	14.6
177.09169	4.5
179.10709	3.2
181.04926	17.5
183.06567	10.4
189.09123	31.3
191.10675	3.1
193.12148	2.3
195.06534	38.4
197.13260	2.5
199.14706	2.5
203.10655	5.5
205.08513	2.9
205.12364	3.2
207.06458	2.9
209.06348	2.5
209.08017	12.2
209.11678	2.4
217.08736	3.4
217.12213	2.3
221.08057	5.0
223.09657	34.2
223.20656	2.4
235.09630	6.0
237.11200	40.5
241.11903	2.4
249.11246	32.2
251.12796	5.7
256.00781	2.1
261.11148	2.6
263.12762	5.3
265.32758	2.3
272.11142	2.7
291.15936	4.9
303.15973	5.7
305.17432	10.3
317.17587	12.7
325.36075	2.3
331.18900	3.2
333.28235	4.0
361.23932	4.5
441.30283	10.9
459.31116	100.0
460.31329	4.2
477.15982	2.7
477.32248	79.4
495.25693	5.8
495.33072	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	495.3317
Annotation	Makisterone B
Peak:m/z	Relative Intensity
55.01859	2.4
55.05523	11.4
57.07067	3.6
57.91909	1.3
58.94629	1.4
65.03918	1.9
67.05508	18.9
69.03414	1.7
69.07075	26.3
70.76167	2.5
70.76505	1.7
71.05004	2.2
79.05496	11.5
81.03419	4.0
81.07062	39.7
83.01346	2.2
83.04983	3.4
83.08613	4.7
85.02902	3.8
85.06544	7.8
91.05488	7.0
93.07050	16.4
95.01337	1.7
95.04971	4.5
95.08608	25.5
97.06525	3.1
97.10147	1.4
99.00822	11.5
99.04449	4.1
99.08120	1.4
105.07037	6.1
107.08598	13.4
109.06517	2.9
109.10158	16.8
111.04425	1.7
111.08072	2.5
111.11681	1.7
113.02371	2.3
117.07004	1.4
119.08599	3.8
121.06524	2.2
121.10160	5.9
123.08095	1.5
123.11707	5.9
125.05948	2.8
125.09631	1.3
131.08548	2.5
133.06403	1.5
133.10127	2.5
135.04462	1.9
135.08112	1.4
135.11700	5.3
137.06007	3.5
137.13266	2.8
139.07585	1.4
143.08493	1.8
145.10120	2.4
147.08028	2.1
147.11739	2.2
149.05887	2.6
149.09599	2.8
149.13268	3.1
151.07571	3.7
153.01714	1.6
153.05511	5.5
155.07063	3.1
161.05968	1.5
161.09665	1.8
163.07497	2.5
165.05498	1.5
165.09177	2.6
167.07077	2.2
171.08105	1.5
172.14433	1.4
175.07582	5.3
175.11252	1.6
177.05484	8.3
177.09113	3.4
179.10808	1.6
180.10295	1.5
181.04962	20.4
183.06584	5.3
187.11349	1.3
189.09096	13.2
191.07066	2.1
193.12265	3.4
195.06538	45.0
203.10657	2.7
205.08606	1.9
207.06671	2.3
209.08124	17.0
211.13281	1.7
215.56212	1.2
221.08136	2.7
223.09671	30.2
223.52255	1.2
229.12303	1.4
235.09763	3.1
237.11244	25.1
245.15277	1.8
247.09801	1.8
249.11217	13.9
251.12834	5.4
261.11325	2.4
263.12866	4.2
265.14417	2.4
267.16010	1.6
277.14441	2.8
289.14178	2.0
291.15991	4.4
293.17538	2.2
303.16016	2.5
305.17645	3.9
307.19052	6.3
308.99359	1.2
317.17422	10.8
319.19122	4.4
333.20721	1.4
335.18503	6.7
361.23499	1.7
375.25278	3.1
429.30099	2.7
441.30133	8.0
459.31091	45.0
477.32178	100.0
495.33237	71.4
496.53003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.15
Annotation	Dihydroprudomenin
Peak:m/z	Relative Intensity
68.99780	0.5
70.85091	1.4
71.50385	0.4
72.45832	0.4
81.07042	0.8
81.36917	0.6
94.04186	2.0
95.04961	0.7
97.02866	0.6
105.03378	1.1
109.06494	1.9
122.03677	4.8
123.04446	8.4
133.02841	6.4
135.28233	0.6
137.05980	100.0
138.06342	0.8
141.05473	1.4
144.29192	0.6
153.05510	1.0
161.02333	14.7
161.86479	0.5
165.05492	2.3
166.02602	1.0
167.03400	25.9
181.04956	1.6
185.08121	0.6
193.04979	3.6
199.07558	0.8
209.04460	2.1
212.04683	0.7
227.07031	3.3
229.05045	1.0
255.06516	5.7
256.07275	1.2
257.04501	0.7
259.09677	26.6
272.06824	4.3
273.07617	0.9
286.08441	2.2
287.09146	30.7
315.08609	15.7
333.09683	44.6
334.09775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
56.96553	9.3
60.85579	2.0
64.15089	2.1
67.05515	4.1
69.03421	4.0
69.38564	7.9
69.38990	12.9
70.72816	1.8
79.05462	3.7
81.07037	8.5
83.04990	3.3
84.96076	2.6
85.02894	4.2
91.05466	4.0
93.07030	8.8
95.08595	6.1
97.06496	3.2
97.10243	2.2
98.97589	33.7
105.07027	4.6
107.08592	6.0
109.06525	2.7
109.10149	5.3
110.97585	5.3
112.99142	3.4
116.98656	14.1
119.08578	5.8
121.06518	2.6
121.10162	5.1
123.11649	2.8
128.98546	3.7
132.18947	2.8
133.10104	4.2
135.08047	3.1
135.11713	2.6
137.05966	4.7
137.09605	3.0
145.10107	3.8
147.08002	2.5
147.11671	4.5
149.09732	2.5
151.07605	3.4
158.99603	2.5
159.08197	2.8
161.09657	2.8
167.07048	3.5
169.19432	2.4
173.09755	2.1
177.00710	2.7
208.46170	2.2
219.01802	8.2
237.02809	6.8
265.11087	5.1
283.12186	7.3
289.11063	3.8
295.98071	2.1
307.12216	19.1
325.13141	2.8
356.42035	2.3
357.45526	2.7
409.15436	55.0
427.16498	11.2
451.16626	25.8
495.16324	100.0
495.24976	5.3
496.16589	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	495.1643
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
53.03933	2.2
53.28136	1.5
55.05504	3.7
56.96556	7.4
57.03409	2.2
67.05499	3.7
69.03423	3.8
69.07047	4.7
69.45652	8.7
69.46076	5.6
71.04959	2.3
79.05495	5.9
81.07059	14.8
83.04967	2.3
83.08593	1.7
84.96016	3.5
85.02886	3.4
85.06544	3.6
89.03865	1.6
91.05471	4.1
93.07034	6.7
95.04986	2.9
95.08604	12.2
97.10143	1.6
98.97585	21.7
99.04439	2.1
105.07008	6.2
107.04940	2.2
107.08572	7.2
107.44364	1.7
109.02847	1.8
109.06491	2.4
109.10162	9.0
110.97543	4.2
111.08065	2.0
116.98611	7.5
117.03432	1.6
119.08531	5.0
121.06503	2.1
121.10145	4.9
121.83160	1.5
123.08055	3.3
123.11711	3.2
125.09573	2.3
127.03963	1.8
128.98570	2.5
131.08479	2.5
133.10094	3.8
134.99637	1.9
135.08035	2.1
135.11664	3.6
135.22517	1.7
137.05965	5.6
137.09596	3.1
137.13237	1.8
145.10060	3.4
147.08054	1.8
147.11725	2.9
149.09593	2.7
149.13251	1.9
151.07564	3.2
153.12553	1.6
157.10143	2.3
158.99625	1.8
159.11688	2.6
161.13213	2.0
165.05505	1.6
166.08652	3.4
167.06947	2.7
177.00681	2.3
179.03447	2.1
179.10745	2.0
189.08958	1.7
189.12640	3.0
211.38245	1.6
219.01747	4.5
219.13846	1.9
237.02774	4.4
265.11087	2.9
266.00095	1.6
283.12134	4.2
289.10999	4.5
293.10620	1.9
307.12244	12.3
325.13132	3.2
409.15326	40.4
427.16351	4.9
451.16840	17.3
495.16330	100.0
495.25488	8.2
496.15936	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94633	2.2
53.03934	2.5
54.27949	1.7
55.01867	3.0
55.05500	5.6
56.05050	2.0
57.03432	3.1
57.07059	1.9
59.04980	2.1
60.04530	26.0
67.05515	11.5
69.03442	9.7
69.07069	18.0
71.04992	8.3
71.61639	2.4
73.02912	2.9
79.05479	9.1
81.03394	7.4
81.07061	20.4
83.08636	10.5
85.02903	29.6
85.06540	2.3
85.96619	1.8
87.00808	5.4
91.05459	6.1
93.07060	15.9
95.04961	4.9
95.08604	26.7
96.08939	2.5
97.02888	11.5
97.06522	10.6
99.04451	7.1
99.08112	2.1
105.01856	8.2
105.07037	15.2
107.08587	19.6
109.02863	6.4
109.06513	11.2
109.10154	27.6
111.08072	4.7
111.11724	3.6
115.07571	5.9
119.08585	20.5
121.10153	9.5
123.08043	6.4
123.11703	14.1
127.03908	11.4
127.11168	2.2
131.08556	2.6
133.09212	3.7
133.10121	42.7
135.08073	3.0
135.11696	38.5
137.09605	7.4
145.04999	5.1
147.11702	4.0
149.13255	8.9
151.07507	2.8
153.12714	3.3
155.10693	3.4
159.02866	4.1
165.12773	3.6
175.14815	62.4
177.16405	10.1
183.06589	2.1
191.14284	2.5
193.14458	1.2
193.15875	76.9
211.16924	100.0
296.25916	3.8
314.26776	5.5
314.96487	2.0
332.27942	36.0
441.21341	2.4
476.32123	2.3
494.33188	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	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40535	1.8
53.03939	6.5
53.95028	1.7
55.01861	4.9
56.96548	2.6
57.03423	6.9
57.42658	1.9
61.02913	6.0
61.12501	2.1
67.05492	8.1
69.03431	34.4
69.07056	7.4
69.24720	20.8
71.04976	8.1
73.02907	5.0
79.05487	6.5
81.03421	19.0
81.07055	15.9
83.04958	2.3
85.02908	100.0
87.00830	52.8
87.04420	2.1
91.05470	8.1
93.07053	10.3
95.08610	20.0
97.02900	46.9
98.97565	4.2
99.04441	10.5
105.01871	99.8
105.07027	12.5
107.08568	9.4
109.02351	1.9
109.02900	23.5
109.06473	2.3
109.10139	7.7
111.11716	3.6
116.98666	2.4
117.01820	2.7
117.06940	2.3
119.08588	23.0
121.10129	13.3
123.08038	3.5
123.11674	6.4
127.03922	72.3
128.50000	1.9
128.98596	1.8
129.01868	3.9
129.05475	2.7
133.10130	12.7
135.11716	4.9
137.09604	5.5
137.13353	2.3
139.11153	4.0
144.50255	2.2
145.04965	49.9
147.03018	2.6
147.11670	5.5
149.13264	3.8
159.02888	10.1
175.14842	14.5
189.03972	5.3
193.15889	11.9
213.04001	2.7
231.05009	32.2
249.06059	18.4
314.14920	2.7
494.16263	2.3
495.14429	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	495.15
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.5
70.85091	1.4
71.50385	0.4
72.45832	0.4
81.07042	0.8
81.36917	0.6
94.04186	2.0
95.04961	0.7
97.02866	0.6
105.03378	1.1
109.06494	1.9
122.03677	4.8
123.04446	8.4
133.02841	6.4
135.28233	0.6
137.05980	100.0
138.06342	0.8
141.05473	1.4
144.29192	0.6
153.05510	1.0
161.02333	14.7
161.86479	0.5
165.05492	2.3
166.02602	1.0
167.03400	25.9
181.04956	1.6
185.08121	0.6
193.04979	3.6
199.07558	0.8
209.04460	2.1
212.04683	0.7
227.07031	3.3
229.05045	1.0
255.06516	5.7
256.07275	1.2
257.04501	0.7
259.09677	26.6
272.06824	4.3
273.07617	0.9
286.08441	2.2
287.09146	30.7
315.08609	15.7
333.09683	44.6
334.09775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
56.37329	1.7
57.03438	20.5
59.04990	6.5
60.04521	2.5
62.83432	1.8
69.03432	75.4
69.03807	4.0
70.84491	5.1
73.02934	1.9
80.79964	1.6
81.03439	2.9
85.02905	58.6
87.04472	50.0
93.22882	1.6
95.88174	1.6
97.02894	61.5
97.03510	3.7
99.04477	2.0
100.46941	1.9
108.04742	1.9
115.03928	87.9
120.54949	2.0
123.04428	100.0
127.03905	7.4
133.04967	83.9
137.05983	15.0
145.04976	6.1
147.04408	4.9
150.07631	7.8
156.78795	2.3
161.05994	5.7
165.05476	77.5
177.05486	5.2
183.06528	25.2
189.05487	13.5
195.06551	3.5
207.06540	17.9
219.06535	4.2
225.07591	10.8
229.07178	2.0
231.06563	6.7
241.07095	2.2
243.06587	3.0
249.07675	8.0
259.08084	3.7
261.07556	9.2
271.49908	1.8
279.08704	15.4
291.08768	1.8
295.10196	3.1
311.58493	1.9
393.49734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01851	2.3
55.60238	1.3
57.03427	4.5
61.02926	10.0
61.43927	1.1
65.03933	1.4
65.98771	1.2
66.96626	1.2
69.03430	21.9
71.04986	4.0
71.15358	2.7
73.02916	5.5
79.05500	1.2
81.03420	7.7
85.02906	100.0
87.04469	3.7
89.06026	3.0
91.03963	6.2
97.02900	32.5
98.97582	3.5
99.04465	5.3
107.04961	1.6
107.08622	1.8
109.02866	10.1
109.84060	1.5
115.03947	2.8
121.02863	29.0
127.03914	31.6
137.05965	3.1
145.04962	52.4
153.05461	35.4
153.12733	3.9
155.01974	1.7
163.06044	9.9
220.55373	1.3
240.28880	1.3
252.09343	1.5
333.09753	2.2
390.47253	1.5
397.65997	1.4
485.05518	1.3
491.38095	1.6
494.22830	1.7
495.10098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.05512	3.1
57.03434	10.7
59.04973	1.5
67.05499	2.1
69.03418	1.9
69.06763	1.5
69.07072	15.0
69.41800	11.9
70.69395	1.2
70.78754	1.3
71.04996	83.7
73.02894	2.0
75.04475	3.7
81.07041	4.7
81.29224	1.3
83.04982	15.6
85.02911	100.0
86.30687	1.3
87.04468	2.1
95.08587	1.8
96.68832	1.5
97.02889	4.9
98.20600	1.3
99.04424	2.6
109.10172	2.2
111.04437	6.2
123.11731	10.2
127.03883	4.6
129.05487	41.0
145.04922	3.3
147.06511	17.9
151.11194	17.2
153.05553	1.5
164.09239	2.2
180.10153	2.4
212.86278	1.9
246.11157	1.4
287.92453	1.4
297.16965	9.7
399.70737	1.5
519.16248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
56.56047	2.1
56.66312	2.1
57.03434	22.2
59.05004	6.0
60.04516	3.7
65.15946	2.0
69.03078	4.7
69.03432	84.6
69.76787	5.0
69.77188	12.9
70.57893	2.2
71.05007	2.4
73.02875	3.2
76.18045	1.9
82.72491	2.2
85.02413	4.3
85.02904	66.0
87.04472	52.6
89.06026	2.8
97.02892	63.5
99.04443	2.9
106.45800	2.2
107.04982	2.5
109.02818	2.5
115.03931	100.0
115.04739	5.2
115.77932	2.2
120.74330	2.1
121.31823	2.2
123.04427	96.8
127.03911	7.3
133.04965	97.5
133.54893	2.0
137.05139	1.9
137.06007	17.1
145.04953	7.1
147.04390	3.9
150.07585	7.2
161.05949	7.9
165.05476	87.3
173.06143	3.1
177.05476	7.1
179.06982	2.2
183.06522	32.8
189.05502	12.6
191.06926	3.3
195.06532	3.1
207.06534	22.9
219.06526	4.3
223.07666	3.2
225.07661	13.4
231.06523	7.3
233.08023	2.9
241.07158	3.2
243.06569	3.5
249.07558	9.3
261.07541	14.1
269.08069	3.2
279.08740	14.5
295.10049	2.4
332.11380	4.5
379.62479	2.3
401.75690	2.4
461.88013	2.3
494.16788	4.2
494.23190	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	493.3291
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
55.05525	1.5
56.75421	0.5
57.07067	0.6
67.05504	2.2
69.07080	0.7
71.08600	0.7
71.36909	0.9
81.07068	1.7
91.05483	1.2
93.07056	1.9
94.66367	0.5
95.08619	2.1
97.10176	0.8
99.08118	0.6
100.36853	0.6
105.07030	0.7
107.08540	0.9
109.10152	1.3
121.10168	1.6
133.10153	0.8
135.11720	0.8
145.10277	0.8
189.35927	0.5
199.10872	0.6
215.12697	0.6
227.14108	1.1
493.32928	100.0
494.33282	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.07070	0.8
62.60457	0.6
67.05507	2.0
68.89416	0.5
69.07086	0.7
69.87182	0.6
79.05515	0.8
81.07066	1.6
83.08595	1.4
86.38198	0.5
90.48434	0.7
91.05505	0.7
93.00730	0.5
93.07047	1.2
95.08621	2.4
96.34368	0.5
105.07000	0.6
109.10172	1.2
119.08580	0.8
121.10207	0.9
135.11711	0.6
159.11720	0.8
331.41602	0.6
431.05521	0.7
449.34009	3.0
457.38193	0.6
463.27963	0.7
475.32156	1.0
493.32684	100.0
494.32666	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	493.329
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
55.05509	1.0
57.07061	0.7
57.81759	0.6
67.05502	2.2
69.07069	1.0
69.62510	0.5
71.73037	0.5
77.31793	0.5
79.05487	0.6
81.07054	2.0
83.08612	0.7
85.10171	0.6
91.05433	0.6
93.07045	1.1
95.08591	1.7
97.10198	0.6
105.07030	0.8
105.33044	0.5
106.15547	0.5
107.08627	0.8
109.10149	1.5
119.08611	1.0
121.10176	0.6
123.04225	1.3
127.03856	0.5
133.10100	0.6
135.11661	0.6
141.05481	0.9
159.11688	0.5
180.60727	0.6
305.28317	0.8
380.59482	0.5
449.34116	1.2
457.30939	0.9
475.31769	3.4
475.37521	0.5
493.32880	100.0
494.33224	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	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
53.04190	2.4
55.05510	24.3
57.03424	9.4
57.07076	60.3
59.06116	2.6
67.05509	69.4
69.07072	30.7
71.01330	2.8
71.05001	2.8
71.08630	30.5
79.05495	44.8
81.03419	7.6
81.07061	46.6
81.42261	2.4
83.04945	7.2
83.08623	24.3
85.06529	3.3
85.10176	18.4
91.05482	18.5
93.07043	44.9
94.91822	3.1
95.04967	6.4
95.08611	36.3
97.06519	11.6
97.10175	20.4
97.13240	2.3
98.21577	5.4
98.98453	5.5
100.11945	2.6
105.04513	2.9
105.07021	4.7
107.04995	3.0
107.08605	27.4
109.10170	24.4
111.11729	5.3
115.00318	2.2
117.06998	5.2
119.08567	5.5
121.10143	5.8
123.08058	2.5
123.11716	8.4
133.10146	5.0
135.11700	55.6
137.13234	4.9
145.10104	11.6
153.12720	2.6
155.01035	7.6
163.11153	7.4
181.12257	10.7
237.58522	2.5
239.23711	12.4
248.28020	2.7
339.28879	8.9
352.42300	2.6
433.29730	2.6
481.94177	2.6
493.32590	59.5
493.38779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42533	0.7
50.48584	0.6
51.12057	0.6
53.03956	1.1
55.01867	1.4
55.05512	9.2
57.00551	0.7
57.03436	0.8
57.07071	1.6
65.03942	1.1
67.05502	9.3
69.03432	2.2
69.07067	21.1
69.40411	0.6
69.60055	4.2
71.04988	1.8
79.05493	6.6
80.43410	0.7
81.03419	3.3
81.07059	19.3
83.01345	1.9
83.05000	1.5
83.08617	5.0
85.02916	2.4
85.06554	1.9
90.26673	0.7
91.05473	5.8
93.07048	8.0
95.01329	1.2
95.04957	3.2
95.08599	7.8
97.02920	1.4
97.06532	1.9
97.10178	1.2
98.21417	1.2
99.00807	4.5
99.04478	2.8
105.07024	5.3
107.04964	2.1
107.08597	5.2
109.02922	1.0
109.06532	2.2
109.10155	7.5
111.04472	1.1
111.08106	1.1
111.11732	1.7
113.02373	1.3
117.07011	2.0
119.08588	4.6
121.06505	1.4
121.10152	3.6
123.04372	0.9
123.08081	2.4
123.11719	3.9
125.06029	1.6
125.09640	1.4
127.11169	0.7
129.07007	1.2
131.08578	2.5
133.06464	0.8
133.10135	3.8
135.08057	1.4
135.11678	3.9
137.06049	2.1
137.09624	0.9
139.07564	1.4
139.11226	1.1
143.08617	1.0
145.10168	2.2
147.08060	1.6
147.11754	2.4
149.02365	1.3
149.06003	0.9
149.09641	2.0
149.13315	0.7
151.03966	1.2
151.07587	2.2
153.05507	2.8
155.07068	1.1
157.10249	0.8
159.08029	0.8
159.11665	1.1
161.06000	1.7
161.09657	0.9
161.13275	0.8
163.03955	1.6
163.07559	1.7
163.11185	1.9
165.09146	2.1
165.67538	0.7
167.07144	1.1
173.09743	0.8
175.07597	2.3
177.05554	2.0
177.09200	1.9
179.07120	0.9
179.10616	0.9
181.04958	8.7
181.12251	1.0
183.06569	2.7
185.09764	0.8
189.09157	3.4
191.07085	1.4
191.10704	0.8
191.86244	0.7
193.12320	3.0
195.06537	20.3
195.08205	1.3
203.10672	2.1
203.14221	0.7
205.08716	0.9
205.12256	1.1
207.06569	1.9
209.08075	11.7
209.11650	1.0
211.13240	1.4
219.10123	1.1
221.08096	3.8
223.09679	12.2
231.10286	0.7
231.13844	1.6
235.09731	2.9
237.11191	5.2
249.11411	3.0
251.12923	2.9
263.12808	1.1
267.15909	0.8
283.15518	0.8
289.14694	0.9
291.15955	4.1
305.17474	12.0
305.20969	0.7
307.19000	3.4
315.16092	1.8
317.17407	1.0
319.19125	5.2
333.17068	2.3
439.28555	0.8
457.29898	1.6
475.30923	9.3
493.31723	100.0
494.31921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3157
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
50.40520	1.2
53.03936	3.3
55.01865	4.3
55.05507	18.3
57.03413	2.8
57.07068	1.4
57.31747	1.3
67.05504	22.4
69.03417	3.9
69.06762	1.8
69.07072	17.7
70.31318	4.9
71.04959	2.0
79.05487	20.5
81.03421	13.6
81.07056	39.4
83.01347	3.1
83.04977	7.1
83.08612	12.1
85.02892	4.6
91.05480	14.2
93.07044	21.0
95.04961	11.8
95.08603	23.5
97.02899	2.0
97.06520	3.8
97.10155	8.0
98.21410	1.7
98.97577	1.8
99.00806	9.3
99.04451	4.6
99.08102	1.5
105.07021	13.7
107.04954	4.8
107.08582	14.9
109.06515	4.1
109.10139	12.9
111.04427	3.0
111.08076	3.5
111.11716	1.8
113.02320	2.4
113.06004	1.5
117.06992	2.9
119.08581	12.9
121.06522	3.5
121.10130	8.8
123.08078	3.8
123.11689	10.5
125.05978	3.6
125.09629	3.8
129.06992	4.1
131.08571	9.0
133.06487	2.2
133.10103	6.7
134.50240	1.3
135.04355	2.1
135.08032	3.8
135.11681	7.3
137.05956	3.5
137.09610	2.4
137.13211	2.3
143.08624	1.8
145.10115	8.9
147.08031	2.9
147.11702	5.8
149.05948	2.4
149.09596	3.1
149.13245	2.6
149.50012	1.3
151.07578	1.7
151.11198	1.9
153.05473	4.4
157.10153	5.0
159.11577	1.9
161.06023	2.7
161.09634	1.7
163.07571	2.5
163.11142	8.0
165.09129	5.6
165.12732	2.2
167.06966	3.4
171.08064	1.9
171.11688	1.9
173.09691	1.4
175.07590	2.4
175.11209	4.9
177.05435	6.8
177.09077	2.2
177.12813	1.6
180.10223	2.0
181.04973	11.7
181.12225	2.6
183.06549	3.2
185.09613	1.8
189.09114	17.1
191.07057	2.8
191.10603	3.1
193.08672	1.7
193.12248	11.2
195.06529	30.3
196.06862	1.4
196.60214	1.3
203.10750	3.7
203.18127	1.4
205.12183	2.0
207.06567	2.7
209.08073	11.9
209.11716	1.9
211.13278	8.8
211.38570	1.3
223.09634	19.0
227.12825	4.8
231.13733	2.0
235.09702	2.5
237.11200	19.0
245.05090	1.8
245.15414	1.7
249.11246	14.6
251.12788	4.3
261.11395	1.9
263.12817	2.6
265.14163	2.0
267.15906	1.7
276.02347	1.4
283.15381	1.6
289.14337	2.3
291.15829	2.2
303.15909	2.4
305.17422	2.1
307.18973	2.2
319.18881	1.6
331.19003	2.1
359.21756	1.5
383.22064	6.0
401.23251	3.6
429.29892	7.1
439.27942	2.5
457.29590	36.0
475.30597	100.0
476.30887	3.5
493.32526	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	493.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
61.06517	0.6
66.15475	0.5
67.05505	2.0
68.63205	0.5
69.07070	1.6
70.77935	1.0
70.78312	1.3
72.15089	0.5
79.05508	1.6
81.02651	0.7
81.07066	2.2
91.05482	1.0
93.07040	1.7
95.08623	2.8
105.07039	1.8
107.08611	2.3
109.04040	0.6
109.10147	2.0
119.08590	1.2
121.10150	1.4
123.11752	0.8
133.10135	1.1
135.11703	0.8
145.10226	0.7
147.08005	0.6
151.03912	0.6
159.11693	1.1
173.13148	1.1
177.16411	0.7
179.07037	0.8
188.42368	0.5
189.16431	0.5
209.11494	11.7
238.21201	0.6
307.19012	4.0
407.06396	0.6
446.35587	0.6
457.29733	0.8
475.31061	0.8
493.31644	100.0
494.32584	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.316
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.03939	1.6
55.01867	1.4
55.05510	8.5
57.03426	1.1
57.07081	1.0
60.35467	0.5
65.03951	0.8
67.05506	8.3
69.03423	1.4
69.07069	18.9
71.04986	0.7
79.05493	5.0
81.03413	3.4
81.07059	14.1
83.01319	2.1
83.04969	2.1
83.08630	3.7
85.02897	1.5
85.06540	1.2
91.05479	3.4
93.07054	7.4
95.01309	0.9
95.04961	2.5
95.08605	6.4
97.02892	0.8
97.06535	0.9
97.10192	0.9
97.57847	0.5
98.21452	1.0
99.00819	5.0
99.04472	2.3
99.08086	1.5
105.07034	5.3
107.04956	1.5
107.08601	5.7
109.02890	1.0
109.06528	2.4
109.10162	8.2
111.04460	1.1
111.08085	1.4
111.11755	1.2
113.02385	1.4
113.05986	0.6
117.01886	1.1
117.07051	1.3
119.08589	3.3
121.06528	0.8
121.10155	2.6
123.04442	0.6
123.08075	0.8
123.11723	2.7
125.06020	1.8
125.09644	1.4
127.11233	0.6
129.07013	1.5
131.08568	1.8
133.06482	0.8
133.10147	3.1
135.04439	0.9
135.08084	0.8
135.11703	1.5
137.05975	1.7
137.09622	0.8
143.08626	0.6
145.10158	1.3
147.11676	2.5
149.02399	0.7
149.05977	0.7
149.09688	0.8
151.07536	3.1
153.05484	2.3
153.09073	0.5
155.07065	1.0
157.10117	0.8
161.06023	1.7
163.03937	1.7
163.07607	1.7
163.11221	2.0
165.09177	1.6
167.07089	0.6
169.04941	0.7
171.08101	0.8
173.09543	0.6
175.07536	3.1
175.11255	1.4
177.05528	1.2
177.09183	1.4
179.10686	1.2
181.04959	8.8
183.06535	3.7
189.09085	4.2
191.07056	1.6
191.10701	0.8
193.08472	0.7
193.12225	3.1
195.06537	18.5
203.10701	1.5
205.08554	0.7
205.12242	0.6
207.06543	1.1
209.08066	9.6
209.09857	0.7
211.13326	2.6
213.12778	0.8
221.08163	3.9
223.09659	13.1
231.13776	0.9
235.09703	2.7
237.11176	7.3
243.13979	0.6
245.15376	0.8
249.11197	4.0
251.12843	2.8
263.12900	1.4
265.14481	0.9
269.15430	0.6
289.14590	1.0
291.15948	2.7
303.16049	1.0
305.17517	4.7
307.19119	3.8
315.15866	1.0
317.17261	0.6
319.19125	6.6
329.17618	0.6
333.17075	1.4
347.18698	1.4
359.22250	0.6
377.23334	1.0
457.29303	2.8
475.30682	15.7
493.31708	100.0
494.32272	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	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03934	5.8
53.04160	1.4
55.01873	11.1
55.05261	2.3
55.05509	31.2
57.03442	14.7
57.07053	2.1
59.04995	2.6
60.39600	1.6
65.03951	3.1
67.05169	2.3
67.05506	30.3
69.03412	3.9
69.07069	9.7
70.62205	4.3
71.02364	1.3
71.04990	8.7
73.06544	1.7
79.05489	38.9
81.03419	65.2
81.07061	37.7
83.01357	8.3
83.04983	21.0
83.08625	22.2
85.02900	30.3
91.05481	41.1
93.06461	2.2
93.07043	40.3
95.04974	24.6
95.08609	16.9
97.02871	4.7
97.06522	9.1
97.10157	6.5
99.04437	3.8
103.05435	1.5
105.04536	1.4
105.07031	28.9
107.04949	11.5
107.08598	20.3
109.06509	10.4
109.10133	6.2
111.04436	5.2
111.08091	13.1
111.11684	1.6
113.05986	2.3
115.05399	1.8
117.07032	11.2
119.04965	1.7
119.07773	1.9
119.08581	23.1
121.06505	5.4
121.10146	17.8
123.08083	9.2
123.11657	2.1
125.05978	2.4
125.09601	4.4
128.06206	1.4
129.07016	13.7
131.08580	10.6
133.06482	4.3
133.10123	10.3
135.08076	2.8
135.11678	14.3
137.09584	2.3
142.07762	3.2
145.10129	16.7
147.08034	3.3
147.11717	11.5
149.09587	6.3
153.12767	5.2
157.10088	11.8
163.11179	32.1
165.12773	2.4
173.09641	3.8
175.11176	13.3
181.12207	2.4
191.10675	4.1
193.10417	2.1
193.12233	52.7
209.11746	6.2
211.13292	63.2
227.12747	3.7
267.15915	4.0
283.15436	1.4
295.12686	1.5
383.21945	3.2
403.20468	2.3
475.26422	2.5
493.27954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01863	12.9
55.05513	45.1
56.96574	4.4
57.03431	24.3
57.07063	8.1
59.04979	5.1
65.03948	4.6
67.05511	68.2
69.03415	11.4
69.07062	29.0
71.04980	12.1
71.55882	4.0
71.60584	6.5
72.29018	4.4
79.05492	79.5
81.03423	33.2
81.07062	75.8
83.01334	9.0
83.04984	38.9
83.08624	22.4
85.02892	11.1
85.06530	7.5
89.76496	4.1
91.04951	7.6
91.05482	100.0
93.07038	68.5
95.04967	25.2
95.08607	47.0
97.06509	15.8
97.10133	8.1
98.97612	5.0
99.08105	6.5
105.07042	53.7
107.04961	32.1
107.08611	36.2
109.06519	19.4
109.10159	24.3
111.04443	9.9
111.08071	10.8
116.92385	4.1
117.07016	16.9
119.08580	42.3
121.06467	10.7
121.10172	33.0
123.08075	16.0
123.11726	19.8
125.09649	21.2
127.07565	4.8
128.98608	4.0
129.07028	20.6
131.08577	26.5
133.10139	44.4
135.08020	7.3
135.11679	21.6
137.09601	9.1
139.11166	5.6
142.07765	12.1
143.08511	6.4
145.06618	4.3
145.10114	28.9
147.08080	7.0
147.11720	20.5
149.09622	8.9
149.13268	8.1
151.11198	5.0
153.09052	6.4
153.12691	5.6
157.10144	23.2
159.11681	8.8
161.09578	5.4
161.13097	4.5
163.07675	4.2
163.11191	41.8
165.09102	10.4
165.12720	6.9
169.09927	4.7
169.12277	6.9
173.09590	9.2
175.11234	17.3
181.12256	8.1
189.16319	5.9
191.10646	8.6
193.12219	39.4
209.11717	9.0
211.13254	19.6
227.12692	11.1
227.18073	4.9
267.15915	62.1
283.15350	35.3
475.26996	56.3
493.27811	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	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.2
57.07063	10.1
67.05492	13.3
69.07069	26.7
71.04964	3.1
71.08626	5.6
71.61647	2.8
71.77197	2.4
71.81400	2.2
73.87115	2.1
79.05454	2.9
81.07073	20.5
83.04974	2.7
83.08626	18.9
91.05470	2.7
93.07030	7.0
95.08625	15.9
97.10172	9.7
107.08627	3.9
109.10143	11.3
111.11697	3.5
113.56535	2.5
121.06543	3.8
133.06477	2.5
133.10078	3.5
137.05988	9.1
139.07491	4.9
147.11685	2.8
149.06013	3.8
151.07553	20.5
161.05975	3.4
165.05466	6.3
165.09109	7.2
167.07043	100.0
171.11618	2.9
175.07526	3.7
177.09143	3.6
179.07011	5.7
179.10703	2.9
181.08540	2.9
189.09045	5.9
189.12808	2.8
191.07040	4.5
193.08615	4.6
203.10677	4.8
205.08578	11.5
207.10141	7.0
217.12292	3.0
219.10187	4.3
221.11765	5.1
229.12213	3.6
233.11722	3.5
263.16089	2.7
308.38693	2.6
411.32791	3.6
429.33591	32.4
447.34735	86.9
492.36435	4.4
493.33008	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	493.1338
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03916	0.2
61.02906	0.5
69.03429	1.3
70.94807	0.2
70.95158	0.6
71.04974	0.2
72.89822	0.2
75.14941	0.2
81.03382	0.5
85.02900	3.1
92.02592	0.5
97.02879	1.4
98.96611	0.2
99.04404	0.3
109.02846	0.4
113.63184	0.2
121.02846	0.2
127.03892	0.5
140.04655	0.8
145.04913	0.4
151.03864	0.4
153.01846	0.3
161.34402	0.2
162.34279	0.2
167.03387	2.9
185.46471	0.2
197.05890	0.2
200.04652	0.2
203.03398	0.2
214.06261	0.7
217.04944	0.7
228.04111	0.4
230.05785	0.3
231.06593	0.4
232.07309	0.3
241.04919	0.7
242.05737	1.5
243.06459	0.7
245.04434	2.7
257.04504	0.2
259.05920	0.6
260.06714	0.9
269.04224	0.3
270.05243	0.9
271.05862	0.5
273.04001	2.0
274.04642	0.2
281.04391	0.7
287.05447	2.4
288.06311	3.0
296.86386	0.2
298.04709	0.6
299.05374	0.7
301.03400	4.3
315.04977	5.2
316.05768	27.3
317.06012	0.3
331.08102	100.0
332.08484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03928	5.9
55.01873	15.5
55.05255	2.7
55.05510	40.7
57.03429	17.4
59.04978	5.1
66.36504	2.0
67.05505	40.1
69.03416	5.0
69.07063	9.9
71.04974	10.1
79.05051	3.7
79.05495	52.0
81.03418	78.1
81.07058	45.4
83.01338	8.0
83.04982	31.3
83.08626	32.8
85.02908	38.2
85.06557	2.4
91.05480	48.5
93.07046	54.0
95.04965	36.8
95.08610	20.7
97.02901	5.4
97.06534	7.2
97.10155	3.9
99.04463	3.3
105.04499	2.2
105.07030	37.0
107.04958	15.0
107.08585	20.8
109.06525	11.6
109.10165	3.5
111.04441	6.0
111.08080	13.0
113.06003	3.4
115.05470	2.8
117.07005	13.5
119.08581	27.4
121.06493	6.9
121.10161	19.4
123.08052	12.9
123.11705	2.9
125.09609	3.7
129.07037	11.5
130.07814	2.2
131.08560	11.4
131.09390	1.7
133.06473	3.6
133.10139	11.4
135.08084	3.0
135.11652	15.2
137.09622	3.8
142.07790	2.4
145.10129	23.1
147.08066	4.7
147.11684	17.7
149.09636	5.5
153.12740	4.3
154.83716	2.7
157.10107	11.7
163.11179	34.4
165.12785	3.4
173.09612	3.9
175.11201	14.0
180.14194	1.7
181.12125	4.3
191.10680	2.7
193.12241	68.7
209.11662	9.1
211.11279	4.5
211.13289	70.9
217.46005	2.1
227.12776	5.2
241.65204	2.0
267.15924	5.1
283.15488	4.6
383.22348	3.7
449.02393	2.3
475.26981	4.6
493.27988	100.0
493.34299	4.0
494.28537	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.60592	0.5
55.01865	1.3
55.05259	0.7
55.05514	10.4
57.03428	1.6
67.05499	2.3
69.03439	4.6
69.07064	1.3
69.45850	1.2
69.46263	2.9
71.04995	2.0
73.02914	0.9
79.05497	1.2
81.03422	5.3
81.07056	3.2
83.04977	7.0
83.08625	8.5
85.02415	0.8
85.02906	9.2
85.06519	1.0
87.00817	3.8
87.50239	0.5
91.05471	0.8
93.07053	3.4
93.07590	0.8
95.04971	44.3
95.08586	1.9
97.02888	4.3
97.06502	1.7
97.10158	1.3
99.04465	12.2
99.08108	0.6
105.01893	3.4
105.07035	2.1
107.08595	4.8
109.02887	4.0
109.06554	2.5
109.10162	8.5
111.08095	2.9
117.01825	0.7
119.08598	1.4
121.10165	2.4
123.11692	2.4
123.69771	0.5
125.09623	2.0
127.03922	7.1
131.08545	0.9
133.10127	6.0
137.06047	0.6
137.09677	0.7
139.11218	0.9
145.04955	2.3
147.11716	1.2
149.13275	2.2
151.07614	0.6
151.11186	13.4
153.09116	15.1
159.02829	2.4
159.81427	0.5
165.09102	2.1
166.09534	1.3
167.12993	1.0
167.14331	14.6
167.15758	0.9
168.07866	0.7
173.13255	3.4
179.14363	0.9
181.08655	0.8
191.14308	3.4
193.15909	0.8
209.11829	5.1
209.15369	100.0
210.15686	1.5
227.16475	2.9
231.05025	1.1
257.14041	0.6
291.75446	0.5
421.18527	0.6
457.20792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01877	4.3
55.05498	8.2
57.07059	4.5
59.04995	5.4
59.43080	2.6
64.19465	2.9
65.03938	2.6
65.73340	3.2
67.05502	16.4
69.03436	19.8
69.07066	9.1
69.66026	7.2
69.66439	11.0
71.04645	3.2
71.04993	21.6
71.97517	3.0
73.02927	4.4
79.05498	17.6
81.03419	25.3
81.07059	49.0
83.04993	4.5
83.99403	3.0
85.02419	5.7
85.02905	68.1
87.04414	3.4
91.05466	10.6
93.07040	24.3
95.04961	8.5
95.08598	18.2
97.02914	34.3
97.06520	2.7
98.97599	16.5
99.04453	38.5
103.03301	4.3
103.03946	64.4
103.83766	2.8
105.07026	15.6
107.04948	4.1
107.08584	19.5
109.02887	35.5
109.06520	21.1
109.10123	19.1
110.69032	2.7
111.04428	2.8
116.98602	4.1
119.08561	11.8
121.06485	4.5
121.10154	11.1
123.08064	4.0
123.11700	39.2
127.03916	100.0
128.98621	3.6
130.07745	3.4
131.08571	5.8
133.10092	13.8
135.08064	3.1
135.11658	6.8
137.09552	3.3
143.08630	3.4
145.02927	3.2
145.04976	44.7
145.10109	4.5
147.08134	4.5
147.11688	6.2
148.12056	3.6
151.07523	6.1
151.11188	90.9
153.12773	7.4
157.10091	5.0
158.99594	3.4
159.08124	5.1
159.11734	3.3
163.06030	44.3
163.11156	3.0
165.09134	22.1
166.09474	11.0
167.06978	3.6
167.10825	3.4
169.12178	8.6
170.99704	4.8
171.08072	3.5
173.09648	8.2
175.07585	3.9
177.05490	6.6
185.04132	3.3
187.06104	4.3
191.10573	4.0
205.07048	3.7
219.01755	4.2
235.13179	3.4
237.02795	4.8
253.07060	4.6
253.14175	3.7
259.13205	18.6
271.08124	9.1
277.14386	8.9
289.09216	12.6
307.10175	20.3
341.56430	3.2
390.55771	3.5
439.19556	6.4
457.20337	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	492.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	19.7
55.05503	28.7
56.00851	12.2
65.17845	11.0
67.05499	37.6
68.95944	9.7
69.03442	12.3
69.07063	31.2
71.22495	21.7
79.05489	46.9
79.05912	10.1
80.05824	18.3
81.03461	10.6
81.07068	69.0
82.83268	10.3
83.04990	14.1
83.08634	23.6
88.65954	10.9
91.05479	44.2
93.07061	50.7
95.08613	56.5
97.06495	11.4
105.07052	46.8
106.07355	11.8
107.08608	81.4
109.10155	60.5
119.08588	59.4
121.10155	41.7
125.09656	16.2
131.08617	14.8
133.10167	32.0
135.11716	29.6
145.10098	23.3
147.11668	53.9
149.13214	15.4
159.11690	38.3
161.13229	15.0
165.09074	17.1
165.12775	25.4
171.11758	16.5
173.13237	12.9
175.11340	12.4
187.14856	15.4
189.07974	10.8
189.16353	15.2
193.12328	17.1
193.84039	10.2
197.55368	12.5
201.16296	23.4
203.17975	28.6
235.10905	11.9
249.18613	13.9
301.66309	10.1
358.16907	12.2
403.33539	32.0
421.34552	61.3
439.36453	13.9
457.37268	100.0
474.29309	18.0
492.31052	33.8
493.30466	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	492.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05494	3.0
61.02929	2.2
64.96946	1.1
67.05461	1.9
69.03431	9.7
69.07052	1.3
71.04987	16.7
71.11838	1.1
71.12160	2.3
71.75791	1.0
73.02889	1.2
73.51365	1.0
79.05509	1.5
81.03413	11.1
81.07063	2.6
83.04977	1.4
85.02900	15.9
89.06030	100.0
91.05498	2.3
93.07036	2.9
95.04941	1.2
95.08603	1.3
97.02268	2.2
97.02890	37.5
98.97578	1.4
99.04482	6.0
105.07011	3.4
107.08592	8.7
109.02877	15.8
111.04472	1.4
114.92732	1.0
115.03942	1.1
117.07028	1.4
119.08569	2.6
121.10117	7.5
123.11707	6.3
127.03919	16.3
131.08684	1.2
133.10129	12.9
135.06512	15.1
135.08043	2.0
137.05983	4.5
145.04959	14.6
147.11714	3.2
149.09637	1.9
149.13225	1.9
151.11139	2.8
161.05998	1.7
163.05974	1.5
163.11115	1.4
167.07074	1.7
167.10753	7.1
173.13280	5.8
175.14807	2.4
179.07188	1.2
180.06329	1.9
181.08473	1.3
191.14281	7.0
197.08112	2.0
209.15367	2.4
215.09204	3.3
227.16391	9.1
243.08635	2.4
245.08017	1.5
261.09668	8.8
279.10648	2.2
282.09177	1.2
305.09967	1.1
313.03473	2.9
324.10483	1.4
324.32849	1.1
328.56940	1.2
331.04675	1.8
397.48590	1.2
404.57675	1.2
492.18442	15.0
492.29147	2.3
493.22876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	1.4
55.05512	19.4
57.03433	1.4
61.02930	1.1
67.05495	3.4
69.03430	5.2
69.07051	2.4
69.66128	5.6
71.04994	2.2
71.46098	0.9
79.05495	2.2
79.27724	1.0
81.03416	2.6
81.07045	6.2
83.04988	14.3
83.08627	15.0
85.02909	6.6
85.06566	1.0
87.00823	2.9
91.05463	2.1
93.07045	4.6
93.30326	0.9
95.04972	2.8
95.08601	2.4
97.02956	2.1
97.06525	3.4
97.10153	2.8
98.97578	1.7
99.04432	1.8
105.01860	4.0
105.07038	3.0
107.08593	5.7
109.02872	2.3
109.06542	2.9
109.10160	10.0
111.08102	2.4
121.10140	4.6
123.08084	0.9
123.11695	4.3
125.09634	2.3
127.03879	6.4
131.08522	0.9
133.10146	7.6
135.08081	3.2
137.06039	1.4
137.09616	1.5
145.02919	1.0
145.04996	1.0
146.52264	1.0
147.11632	1.5
149.02795	1.0
149.13237	3.5
151.11185	20.5
153.09114	1.9
165.09071	2.4
166.09491	1.4
167.06998	1.0
167.14320	26.3
173.13258	4.1
191.14297	4.7
209.15369	100.0
210.15608	1.5
227.16417	3.1
231.04994	1.9
394.16284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68268	4.9
53.03944	6.0
55.05508	34.4
56.35994	5.6
57.07071	8.8
60.17399	4.6
67.05510	47.1
69.03429	9.6
69.07069	48.9
71.08620	5.2
71.61460	5.7
79.05497	34.8
81.03436	7.0
81.07058	100.0
83.04971	7.9
83.08620	30.2
85.02924	14.3
85.06544	15.7
91.05492	24.6
93.07051	47.3
95.04987	10.2
95.08612	92.5
97.06557	7.7
97.10159	20.6
99.08115	5.3
105.07033	25.9
107.04990	5.1
107.08594	31.6
109.02870	6.4
109.06493	13.0
109.10159	72.9
111.08101	9.1
111.11738	11.2
119.08581	18.2
121.10172	21.9
123.08059	12.4
123.11717	32.2
125.09631	11.7
125.85614	4.7
129.94421	4.4
131.08559	7.6
132.46657	4.9
133.10138	17.5
135.08052	7.2
135.11699	21.3
137.05978	9.8
137.13280	13.1
139.11197	11.6
145.10165	13.0
147.08020	8.1
147.11708	9.3
149.09529	5.2
149.13264	18.8
151.07533	8.3
151.11212	7.1
151.14879	7.6
157.10098	7.7
159.11674	9.9
163.03920	6.0
163.11197	8.6
163.14854	8.5
165.09102	22.6
165.16440	7.0
167.07072	8.6
175.11285	5.2
175.14883	6.1
177.09050	5.5
191.10574	5.7
205.12144	6.3
209.11601	6.2
275.27338	9.0
281.28391	6.5
293.28397	18.4
491.25601	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73866	0.5
55.05509	0.4
56.96581	0.6
57.07071	0.4
59.33968	0.4
67.05496	0.7
69.03431	0.9
69.40092	2.7
79.05492	0.9
81.07022	1.2
85.02908	2.3
91.05478	1.3
93.07021	1.0
95.08603	1.2
97.02892	1.1
98.97576	1.6
102.15590	0.4
103.05436	0.7
105.07027	1.4
107.04921	1.5
107.08583	2.1
109.02797	0.4
109.06495	0.4
109.10136	0.7
110.97635	0.6
116.51993	0.4
117.07002	0.7
119.04945	1.2
119.08601	0.9
121.06499	2.0
121.10133	1.1
123.08049	0.7
127.03922	0.5
131.04970	0.8
131.08507	0.6
133.02797	1.0
133.06525	0.7
134.07198	0.4
135.08055	1.3
135.11691	0.6
135.69806	0.3
136.05205	0.8
137.06007	0.7
137.09651	0.6
138.06781	0.5
145.04982	0.4
145.06508	0.6
146.07216	1.0
147.04427	2.1
147.08049	1.6
148.05142	0.9
149.05988	1.3
149.09612	0.9
151.07535	3.6
151.11171	0.4
152.08273	0.6
153.05472	2.2
154.06255	0.6
158.99677	0.6
161.05957	0.8
161.13191	0.7
162.06790	2.9
163.07538	3.9
164.08279	0.6
165.05470	2.4
165.09093	2.4
166.06268	4.1
166.09543	0.7
167.07062	0.4
167.09631	0.5
168.07814	7.0
170.99599	0.4
177.09105	2.9
178.09895	11.7
179.07027	4.1
179.10602	0.5
179.14389	2.0
181.08598	16.3
181.10202	0.9
194.09384	13.4
202.52895	0.4
209.11732	100.0
210.12048	0.8
219.01808	0.7
231.01965	0.4
237.02901	0.6
264.12750	0.4
291.66467	0.4
323.18979	0.4
345.95255	0.4
395.25522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72409	0.2
55.05506	0.9
57.07065	0.2
65.03918	0.3
67.05167	0.3
67.05504	3.9
67.99439	0.2
69.03401	0.4
69.07059	0.5
69.63673	0.5
69.64107	0.8
71.04989	0.2
77.18460	0.2
79.05479	0.8
81.07058	4.5
83.04976	0.6
83.08597	0.4
85.06548	0.6
91.05476	0.9
93.07044	0.9
95.08601	2.7
99.14275	0.2
103.05450	0.3
105.07028	0.4
107.04943	0.4
107.08588	0.9
109.06501	0.2
109.10152	6.4
117.07030	0.2
119.08581	3.3
121.06479	0.4
121.10123	0.7
122.07285	2.5
123.08067	0.3
123.11708	7.3
129.35495	0.2
137.09610	12.5
139.07576	0.4
147.08022	0.3
149.09604	0.5
149.13272	0.7
151.07539	0.3
155.10664	0.8
159.11685	0.2
165.09108	100.0
166.09450	1.0
173.11731	0.3
175.11192	0.6
183.10103	1.0
189.12766	0.4
201.11263	1.3
205.12270	0.5
293.24695	0.4
297.16678	0.2
321.24252	0.3
321.76941	0.2
332.56287	0.2
339.25186	1.0
427.32529	0.3
491.25037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01845	0.5
55.05496	1.3
57.03425	0.3
57.07035	0.5
67.05506	4.9
69.03409	0.8
69.07050	0.9
71.05073	0.6
79.05488	1.4
79.26020	0.3
81.03397	0.7
81.07057	4.6
83.04976	0.5
83.08593	0.4
85.02885	1.3
85.06512	0.9
91.05472	2.1
93.07045	2.9
94.06568	0.6
95.04960	1.0
95.08614	4.3
97.02862	0.5
97.06477	0.5
99.04446	0.5
101.05983	0.4
105.07018	1.3
107.04948	0.7
107.08594	2.0
109.02911	0.4
109.06520	1.2
109.10150	6.8
113.09618	0.4
116.45783	0.3
117.06997	0.7
119.08571	4.2
121.06497	0.8
121.10137	1.2
122.07250	1.9
123.08036	0.5
123.11701	3.3
125.05937	0.4
125.09631	0.3
127.03905	0.8
131.08568	0.7
133.10123	1.1
135.08014	0.5
135.11693	0.5
136.07558	0.9
137.05956	1.1
137.09612	12.5
139.11316	0.4
143.08469	0.3
145.06616	0.3
145.10114	0.7
147.08023	0.4
147.11674	0.7
149.09590	1.8
149.13235	1.0
151.07542	1.3
151.11137	1.0
157.10095	0.4
159.11702	0.4
161.09613	0.5
161.13307	0.3
162.05530	1.4
163.05872	0.8
163.14751	0.4
165.09108	100.0
166.09450	1.2
167.07037	1.5
167.10608	0.5
173.13278	0.4
175.11124	0.3
176.03439	0.9
177.03697	0.6
177.09059	0.7
177.12695	0.3
179.10638	1.3
181.04930	0.7
183.10077	0.4
187.13261	0.7
189.12776	0.9
191.10687	0.9
197.11717	4.8
201.11194	0.7
203.10767	0.4
203.14351	0.6
205.12254	3.1
209.15373	0.6
227.16313	0.3
275.23706	0.4
293.24774	0.8
299.10431	0.3
321.24158	0.7
330.11630	0.3
339.25275	1.0
394.04315	0.4
436.50046	0.3
445.33179	0.4
461.18671	0.3
473.14081	0.5
473.32596	0.7
491.16498	1.1
491.24667	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.79247	0.7
55.01865	1.5
55.05510	5.4
56.96542	1.0
57.03441	1.5
59.04967	0.9
61.02885	0.8
67.05504	11.8
69.03421	2.4
69.07069	5.7
71.04974	2.9
71.41740	0.6
71.61742	1.2
72.33779	0.7
73.02888	0.7
79.05492	7.5
81.03414	1.9
81.07056	16.3
81.12356	0.6
83.01344	1.1
83.04980	3.4
83.08613	3.0
85.02896	3.0
85.06541	2.0
88.01417	0.7
91.05473	7.2
93.07043	10.5
95.04964	3.6
95.08612	12.8
97.02856	1.0
97.06506	2.4
97.10167	2.0
98.97574	2.5
99.08099	0.7
103.05444	0.8
105.07023	5.9
107.04976	4.4
107.08593	8.1
109.02833	1.0
109.06505	3.4
109.10160	13.4
111.04421	0.8
111.08084	1.3
115.05418	1.1
117.07035	1.6
119.08588	8.3
121.06508	2.5
121.10144	6.1
122.07267	2.5
123.04392	1.1
123.08035	2.8
123.11711	10.9
125.06013	0.7
125.09630	3.3
127.03926	0.9
128.06293	0.7
129.07068	0.8
131.08551	2.3
133.10133	3.6
135.08034	2.0
135.11682	4.5
137.05992	2.7
137.09607	14.2
137.10562	1.2
137.13202	1.3
139.07600	1.3
139.11221	1.7
141.06943	0.9
145.06517	1.4
145.10162	4.2
147.08034	1.0
147.11684	2.8
148.05652	0.7
149.09587	2.3
149.13246	1.9
151.07552	2.5
151.11142	1.0
153.05467	1.0
153.09065	0.7
155.08595	1.0
155.10666	1.1
157.10202	1.7
159.08055	1.2
159.11691	2.9
161.09651	1.6
161.13248	1.8
163.11197	3.0
163.14688	1.1
165.09116	100.0
166.09479	1.3
167.07021	1.6
167.10696	1.0
171.11655	0.7
173.09622	2.2
173.13295	2.0
175.07523	0.7
175.14795	1.1
177.05565	0.8
177.09096	1.0
179.06953	0.8
179.10643	0.9
179.18019	0.7
181.04897	0.9
181.10298	0.8
183.10219	0.8
185.13268	1.0
187.11194	1.6
187.14839	1.3
189.09183	0.8
189.12793	0.9
189.16383	1.9
191.10590	1.2
191.17850	0.7
193.08736	0.8
197.09735	0.8
197.13153	0.8
201.11282	2.1
201.16487	1.3
203.14291	1.3
205.12320	1.6
205.15887	0.7
207.17627	1.1
209.11736	1.5
213.16302	0.8
219.13863	1.1
219.17567	1.2
227.12700	1.1
237.02953	1.3
255.08247	0.8
259.09644	0.7
273.14975	0.9
312.14417	0.8
335.70377	0.7
339.25504	1.3
349.21487	0.6
367.22479	1.2
369.73044	0.7
385.23688	0.8
409.30972	0.9
411.29279	0.8
455.32159	1.3
459.27374	2.8
473.27927	1.6
473.33640	1.5
491.25229	3.3
491.33533	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	490.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41465	7.2
55.05502	13.6
57.07060	12.5
67.05512	45.9
69.07061	11.4
78.59190	6.6
79.05479	14.5
81.07067	45.4
83.08627	11.6
91.05498	22.4
93.07029	30.3
95.08601	57.7
97.10159	10.9
102.11539	7.1
105.07056	38.2
106.15244	7.0
107.08560	40.4
109.10175	56.4
119.08582	36.4
121.10139	49.7
123.08070	8.0
123.11737	12.5
131.08554	7.1
133.10150	23.3
135.11687	21.6
137.13176	8.5
145.10129	42.7
147.11690	38.7
149.13330	8.3
151.11189	11.2
159.11705	31.2
161.13298	36.2
173.11853	11.7
173.13292	17.8
175.14845	35.6
177.16415	11.1
187.14810	36.7
189.16364	16.4
201.16411	32.1
203.17963	12.4
205.15855	16.7
215.18005	16.3
221.15445	7.3
231.17479	15.6
235.16946	7.3
249.18445	10.4
251.20145	9.2
341.64926	7.9
352.24103	8.0
409.34717	17.0
419.33282	11.7
427.35574	26.5
437.34235	100.0
455.35263	98.8
473.36157	20.5
474.85306	8.5
490.35733	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03943	13.3
53.81868	3.2
55.01858	7.4
55.05294	3.7
55.05515	43.9
57.03429	8.8
57.07073	4.6
59.04990	4.3
65.03940	5.8
66.60043	2.9
67.05508	76.1
69.03426	6.3
69.07078	22.4
70.39412	4.9
71.04998	7.2
79.05048	5.5
79.05496	89.6
81.02972	4.4
81.03420	61.8
81.06574	3.7
81.07057	89.7
83.04980	24.6
83.08623	28.5
85.02908	20.4
91.05478	100.0
93.07047	81.6
95.04436	3.8
95.04977	49.6
95.08604	48.8
97.06534	11.4
97.10156	12.0
98.20836	3.6
98.97591	4.4
105.07035	77.4
107.04963	9.5
107.08588	42.6
109.06509	13.6
109.10133	23.0
111.04459	5.3
111.08080	11.8
112.67800	2.9
113.05953	3.7
115.05493	5.4
117.07014	15.6
119.08591	52.4
121.06489	11.7
121.10152	26.7
123.08071	14.1
123.11721	18.8
125.09643	8.0
129.07043	22.8
131.08562	19.5
133.06548	6.8
133.10139	31.8
135.08037	4.3
135.11693	15.6
137.09651	7.6
139.11150	4.5
141.07002	5.0
142.07793	5.5
143.08566	14.6
145.06442	3.3
145.10152	22.7
147.08083	6.6
147.11684	49.3
149.09621	5.3
149.13249	4.5
151.07487	4.1
155.08493	3.7
156.09300	3.1
157.10147	18.0
159.08043	5.1
159.11700	8.6
161.09561	7.9
161.13324	16.1
163.11137	5.0
165.09109	13.5
171.11707	29.3
173.09677	3.9
173.13252	7.2
175.11206	8.6
175.14821	4.0
177.09166	4.7
181.12212	3.9
185.13248	4.2
187.14758	4.5
189.12712	7.6
193.12247	39.4
205.12239	3.5
207.13835	26.2
207.17427	3.2
211.13283	31.2
221.47818	3.7
227.12726	11.0
231.13750	4.1
249.14810	4.0
267.15942	22.4
281.17368	23.8
305.17480	3.4
363.23291	4.6
473.28748	38.6
491.30414	51.7
500.79285	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	489.3575
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.01868	1.5
55.05511	9.8
56.04773	1.4
57.07088	1.9
65.03928	2.0
67.05508	30.3
69.03444	2.1
69.07064	10.2
71.05013	2.4
79.05502	10.5
81.03440	1.6
81.07057	20.6
81.07434	1.8
82.43001	1.5
83.05013	1.8
83.08640	4.9
85.06564	3.2
89.02482	1.6
91.05496	10.3
93.07043	16.7
95.04991	2.8
95.08613	21.6
97.06560	4.2
97.10214	3.9
98.21473	5.0
98.43491	1.6
99.04491	2.6
101.06023	1.5
103.05488	2.0
105.07028	10.8
107.05099	1.9
107.08599	23.1
109.06548	2.4
109.10152	21.5
111.08131	2.6
117.06974	2.5
119.08578	15.8
121.06570	3.2
121.10133	19.8
123.08081	3.3
123.11699	7.4
125.09656	2.6
129.07034	1.7
131.08594	7.7
133.10150	17.2
135.08127	2.1
135.11719	9.9
137.09666	4.6
137.13289	3.7
139.11162	2.4
145.10162	10.5
147.11664	9.3
149.09648	5.0
149.13284	7.4
151.11223	2.1
153.09146	1.9
157.10170	5.9
159.11725	10.7
161.13333	6.6
163.11230	2.4
163.14859	3.3
167.10771	2.0
169.10135	2.4
171.11801	2.8
173.11877	2.9
173.13211	8.5
175.14928	5.9
177.12836	2.4
177.16466	4.2
181.12407	2.4
183.11745	3.2
185.13235	3.5
187.14934	6.7
189.16412	3.1
197.13293	3.3
199.14891	2.7
201.16499	4.4
205.12473	2.7
205.15895	3.6
207.17520	1.7
213.16479	2.2
215.18127	1.7
219.17604	2.6
223.17065	1.6
227.18047	1.9
229.15952	2.2
229.19662	1.9
235.17105	1.8
237.18860	1.8
253.19563	2.2
261.21945	2.1
275.20212	1.8
337.23483	20.0
397.31116	2.3
400.15942	2.0
426.30975	1.6
435.32764	6.6
443.35553	8.5
446.48184	2.1
453.33823	13.6
471.34961	10.3
489.35925	100.0
490.36688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3604
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03943	12.4
55.01864	13.0
55.05511	32.2
56.96556	4.0
57.03437	5.8
57.07071	4.4
62.60617	3.1
65.03918	3.4
67.05162	3.8
67.05508	60.6
69.03433	4.4
69.07073	24.4
71.05001	11.5
71.40263	3.9
73.02886	2.2
73.06568	2.2
79.05496	100.0
79.05956	6.0
81.03421	18.6
81.07059	75.9
83.01346	4.8
83.04993	20.9
83.08617	15.7
85.02908	3.8
85.06521	3.5
85.08588	2.5
91.05482	70.4
93.07051	96.2
95.04979	25.5
95.08038	4.6
95.08612	62.2
96.08915	4.4
97.02876	4.0
97.06532	13.1
97.10171	7.4
98.97599	13.7
99.08105	3.9
103.05465	3.6
105.04533	2.5
105.07031	70.6
107.04971	16.0
107.08595	58.0
109.06514	14.5
109.10165	30.9
111.04438	2.5
111.08087	4.6
116.98607	3.9
117.07027	19.2
119.08580	60.7
120.08925	3.3
121.06508	9.3
121.10150	34.5
123.08047	16.7
123.11706	10.5
125.05978	2.6
125.09661	3.3
128.06227	5.5
128.98511	3.1
129.07014	16.8
130.07736	3.0
131.08585	20.1
133.06496	2.9
133.10132	39.9
135.08061	10.3
135.11700	28.2
137.09615	8.6
137.13260	5.3
141.09074	3.4
143.08600	15.6
145.10132	34.6
147.08052	4.7
147.11687	39.0
149.09592	7.8
149.13249	11.8
151.07616	2.5
153.12755	4.3
154.94144	8.9
157.10100	8.2
158.99689	3.0
159.11725	16.4
161.09653	10.8
161.13255	23.6
163.11192	31.0
163.14815	7.7
165.09131	8.3
165.12761	2.9
169.10013	3.3
171.11734	26.6
172.95259	6.1
173.09618	6.1
173.13263	9.6
175.11168	5.7
175.14850	15.0
177.00591	3.8
177.16422	5.7
179.10602	2.5
179.14345	7.7
181.12292	4.9
183.11688	2.7
185.09625	4.2
185.13251	9.3
187.11264	3.9
187.14842	9.9
189.12752	12.1
189.16403	20.8
191.10672	5.2
191.14316	5.1
191.18007	8.0
193.16098	3.2
197.13153	3.2
199.11165	2.9
199.14784	5.3
201.12727	3.8
201.16374	10.1
203.14319	12.1
203.17981	6.9
205.15942	4.0
205.19461	4.1
207.13799	24.7
207.17355	11.9
209.11742	4.3
211.14948	2.8
213.16370	3.7
215.17961	5.0
217.15854	5.0
217.19646	3.4
219.01607	3.0
219.17468	3.6
221.15439	7.7
227.12787	4.0
227.17984	3.7
229.15918	3.3
231.17455	3.6
237.02820	2.7
241.19505	4.6
249.14935	6.4
259.16995	4.0
280.38141	2.6
317.17795	3.1
335.19028	4.5
351.06119	4.0
379.22949	3.2
407.33231	4.0
425.34732	13.5
443.35754	13.5
453.34021	5.9
471.18335	11.9
471.35413	46.2
489.28036	49.6
489.34689	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24778	2.6
55.05500	13.9
57.07077	4.3
57.41895	3.0
60.56269	3.2
67.05510	18.8
69.03423	4.4
69.07069	16.1
69.82207	2.8
70.93806	7.7
79.05485	12.2
81.03428	2.9
81.07056	45.0
83.08607	6.0
85.02894	3.8
85.06522	3.8
89.79742	3.1
91.04957	3.6
91.05466	13.0
91.96260	2.9
92.92484	2.8
93.07037	48.7
95.04940	4.9
95.08603	59.5
97.06548	4.4
99.08102	4.4
105.07037	29.6
107.08596	59.6
109.06532	4.1
109.10149	46.9
117.07032	3.9
119.07784	4.7
119.08578	59.1
121.06515	3.0
121.10147	59.6
123.08081	4.7
123.11681	18.6
125.09606	3.3
131.08583	10.2
133.10107	37.4
135.08061	3.0
135.11697	40.5
137.05951	5.1
137.09628	6.6
137.13248	4.9
139.11168	4.6
143.08598	4.7
145.10100	18.7
147.11708	29.9
149.09622	5.3
149.13283	16.4
151.07553	5.7
157.10146	7.0
159.11685	24.0
161.13239	25.7
163.11163	9.3
163.14784	16.4
165.09111	32.8
171.11787	7.5
173.13316	13.9
175.14784	19.3
177.09135	12.7
177.12759	4.9
177.16429	9.4
181.12224	4.3
183.11569	3.5
185.13251	9.7
187.14853	9.1
189.12642	3.7
189.16422	14.3
191.10643	8.0
191.17947	100.0
193.15823	3.1
195.13852	5.5
199.14861	7.6
200.74921	3.4
201.16412	9.0
203.14250	6.9
203.17937	39.6
205.12242	4.2
211.14958	3.2
215.14386	3.6
217.15906	18.0
217.19426	17.3
221.15320	7.1
235.16933	3.9
256.79861	3.0
263.16464	20.6
365.32016	5.5
381.27942	4.6
399.28973	18.9
407.32980	7.5
435.32718	3.9
453.33710	61.0
471.34854	21.2
489.22684	7.6
501.59521	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05093	2.0
52.40387	2.1
55.05509	6.3
57.07060	2.5
65.18925	1.9
67.05505	11.6
69.07059	7.8
70.89740	6.0
73.06545	2.8
79.05489	6.5
81.07058	22.5
83.08612	5.2
85.06537	3.2
86.09722	3.4
91.05463	7.7
93.07057	24.2
95.04935	2.3
95.08604	40.9
97.10157	2.2
99.04454	2.8
99.08138	2.6
105.07037	14.9
107.08594	26.7
107.11894	2.2
109.10142	18.9
113.05972	2.2
119.08575	27.8
121.10146	25.3
122.07325	2.4
123.08086	2.3
123.11699	7.7
131.08537	6.4
131.94931	2.0
133.10129	17.8
135.08076	2.1
135.11739	17.4
137.09612	12.9
141.09099	2.3
141.19902	2.0
145.10109	10.8
147.11673	10.6
149.09645	2.8
149.13226	9.9
151.07556	4.5
157.10161	2.3
159.11696	11.6
161.13274	13.3
163.11188	4.6
163.14804	10.4
165.09116	100.0
171.11644	4.4
173.13313	5.7
175.14795	9.8
177.16313	2.7
185.13287	5.0
187.09683	2.4
187.14799	7.9
189.16373	8.6
191.17940	48.3
195.13745	2.6
199.14754	4.3
201.16347	5.5
203.10599	3.8
203.14340	3.6
203.17966	17.5
205.12271	3.7
215.14500	2.5
217.15842	7.9
217.19540	9.1
219.13661	3.0
221.15358	4.4
263.16431	10.4
299.11481	2.2
301.95850	2.6
337.23795	2.7
399.28882	8.9
435.32864	2.7
453.33817	25.4
471.34888	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.05506	16.8
57.07074	5.8
62.10797	4.3
67.05505	31.8
69.03427	10.4
69.07065	29.1
69.33135	27.6
69.33553	9.6
71.04984	16.1
71.08512	3.9
79.05502	21.3
81.07053	53.3
81.94076	3.7
83.04976	9.9
83.08620	7.5
85.02906	11.4
85.06559	4.4
85.09230	3.7
86.51300	3.4
91.05473	27.0
93.07048	45.7
94.04181	3.9
95.04969	9.2
95.08610	66.5
97.02901	4.3
97.06540	9.7
97.10178	5.1
98.20628	5.2
98.97572	4.9
105.07025	36.6
107.08598	55.2
109.06534	14.7
109.10159	39.5
111.08084	8.1
117.06997	9.9
119.08589	53.4
121.06486	6.7
121.10132	59.2
122.03629	6.9
123.04482	4.6
123.08051	28.3
123.11697	13.4
125.09653	7.2
127.03899	6.0
127.07570	6.0
127.11222	4.1
129.05396	4.4
131.08600	18.0
133.10118	42.1
135.08049	7.7
135.11699	35.6
137.05974	50.7
137.09624	31.0
137.13264	6.7
139.11160	4.2
143.08565	9.1
145.10130	25.9
147.08051	4.0
147.11676	22.0
149.09654	11.1
149.13216	9.6
151.07561	13.1
151.11200	7.5
157.10114	13.3
159.11667	28.7
161.09660	4.5
161.13258	22.0
163.03929	4.7
163.07802	4.2
163.11180	9.8
163.14799	12.7
165.09102	96.8
167.07043	17.7
169.73476	4.1
171.11745	8.1
173.13263	16.1
175.11089	6.3
175.14859	18.8
177.16336	8.0
181.05005	5.6
187.07658	5.5
187.14818	11.5
189.16385	15.5
191.17950	100.0
199.14769	9.1
201.16435	17.7
203.14322	8.5
203.17924	32.0
205.12215	5.3
205.15880	7.5
205.19586	4.5
207.17485	8.2
211.07651	6.1
213.16350	5.9
217.15930	6.6
217.19585	10.6
222.49536	3.7
233.15486	4.8
245.15337	8.9
249.15001	7.8
261.09241	6.0
261.14850	4.5
263.16391	23.8
303.10159	7.2
315.10138	8.8
320.10287	5.9
321.11237	6.3
333.11218	4.7
335.12793	19.8
347.12823	12.1
365.13943	5.8
407.32980	8.4
418.13852	6.1
425.34149	5.7
435.32629	6.3
453.33710	27.3
471.17880	4.7
471.35043	21.1
489.11581	5.4
489.18539	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	489.3576
Annotation	salvin B
Peak:m/z	Relative Intensity
53.32301	3.6
53.71504	4.3
55.01868	7.4
55.05499	12.2
57.07055	5.0
64.70935	3.9
67.05513	19.0
69.07072	13.7
79.05502	14.8
81.07053	41.9
83.04989	22.3
83.08620	11.1
88.45989	3.8
91.05492	22.4
93.07047	39.7
95.04982	5.1
95.08606	66.0
97.06551	7.3
105.07017	40.9
107.08598	57.0
109.06570	4.9
109.10164	36.6
111.04450	67.0
111.08053	5.1
117.07025	5.3
119.08588	63.6
121.10146	43.6
123.11685	21.8
125.09522	3.9
127.07471	5.9
131.08568	15.7
133.10129	57.7
134.56883	3.8
135.08067	6.2
135.11699	46.9
137.13286	10.0
143.08575	9.6
145.10129	31.4
147.11691	67.0
149.13269	15.5
151.11156	4.1
157.08908	4.9
157.10071	21.3
159.11687	34.5
161.13213	28.0
163.14825	17.7
165.12723	3.9
169.10120	7.7
171.11694	18.4
173.13251	19.7
175.14832	13.5
177.16412	10.6
183.11725	11.5
185.13257	16.5
187.13373	8.6
187.14804	25.7
189.16397	71.2
190.50519	4.5
191.17976	16.6
195.11833	4.4
197.13235	5.9
199.14790	11.3
201.16368	16.7
203.14470	8.6
203.17918	15.6
207.13911	6.8
207.17438	95.7
211.14880	6.1
213.16519	9.5
215.17976	16.9
217.19463	4.3
227.14308	5.5
233.15302	9.4
245.15364	14.1
247.16879	7.7
249.14812	5.0
249.18588	6.1
255.35921	4.5
263.16385	13.8
273.18475	5.3
294.66827	4.1
296.21219	4.4
353.83957	4.1
425.34222	10.6
435.32629	12.1
443.35110	5.4
453.27942	6.7
453.33694	95.4
454.34256	5.4
471.34805	100.0
484.66791	4.2
489.28442	4.5
489.35300	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	489.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89699	0.9
53.03938	2.2
53.44495	0.9
55.01866	1.0
55.05511	7.9
57.03433	1.6
57.07066	3.8
60.14199	1.2
65.03925	1.0
67.05502	19.1
69.03420	4.4
69.07069	12.1
71.04987	1.7
78.19841	1.0
79.05495	7.6
81.03424	1.2
81.07056	41.4
82.50243	1.0
83.04961	2.2
83.08625	5.3
85.02901	7.8
85.06538	10.9
91.05479	4.9
93.07044	16.3
95.04959	2.3
95.08609	44.6
97.02882	2.2
97.10152	3.3
98.97578	1.3
99.04447	1.3
99.08083	9.6
105.07037	5.6
107.07867	0.9
107.08593	17.5
109.02840	1.1
109.06490	2.1
109.10157	32.9
111.08106	2.9
111.11708	3.3
113.05978	2.0
113.09650	4.1
116.58057	0.9
119.08576	8.2
121.10137	14.3
122.07262	2.6
123.08069	4.2
123.11709	12.8
125.09663	1.8
125.13257	1.0
127.03897	2.8
127.11147	2.3
131.08566	1.4
133.10123	3.4
135.08083	1.3
135.11713	9.7
137.06006	1.9
137.09618	14.1
137.13252	4.8
141.09135	5.5
145.10086	1.5
147.08009	1.4
147.11732	2.9
149.09608	3.9
149.13261	13.6
151.07483	2.8
151.14822	3.0
157.08553	1.2
159.11685	1.0
161.09634	1.1
161.13225	2.5
163.11206	1.2
163.14818	10.7
165.09117	100.0
167.14272	1.1
169.08679	1.8
173.13171	1.4
175.14839	2.0
177.09052	1.7
177.16418	5.6
187.09601	1.2
189.12839	1.3
189.16377	1.8
191.17981	3.0
195.17323	1.2
203.10614	2.5
203.17938	1.9
205.12300	4.6
205.19511	1.1
214.85678	1.4
217.19516	3.3
221.18987	1.1
265.25385	1.0
273.25735	4.5
291.26755	11.4
309.27829	4.0
351.27237	1.1
443.31726	1.4
489.22852	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	489.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.7
55.01880	12.4
55.05258	2.2
55.05511	36.4
56.96556	2.9
57.03437	9.9
57.07063	3.3
59.04980	4.4
65.03928	5.7
67.05508	65.9
69.03417	3.1
69.06721	1.3
69.07070	19.0
71.01340	1.9
71.05000	9.8
77.03923	1.9
78.76067	1.3
79.05497	100.0
81.02986	1.3
81.03423	20.2
81.07059	75.4
82.07374	1.4
83.01346	7.6
83.04542	2.2
83.04990	30.2
83.08622	17.5
85.02898	2.9
85.06522	3.2
91.05484	76.7
93.07047	87.5
95.04434	2.0
95.04978	30.1
95.08608	50.6
96.08910	1.8
97.02867	4.4
97.06546	12.3
97.10152	4.5
98.21499	3.5
98.97572	5.0
99.04447	2.8
99.08085	1.5
103.05448	2.5
105.04497	4.1
105.07036	61.2
107.04965	17.8
107.08600	38.7
108.08946	1.5
109.06518	14.3
109.10165	15.8
110.10572	1.5
111.04439	3.8
111.08055	3.8
111.11765	1.3
115.05450	3.2
116.98578	2.0
117.07018	21.2
119.08585	47.1
121.06522	8.5
121.10154	22.5
123.08069	14.7
123.11681	4.1
125.05988	2.6
125.09582	2.6
127.07507	1.5
128.06204	5.0
129.07001	19.4
130.07776	2.6
131.08572	10.5
133.06470	2.0
133.09209	2.3
133.10132	25.8
135.08006	3.5
135.11697	22.0
136.93073	1.4
137.09607	3.0
137.13245	4.5
139.11172	2.3
143.08574	13.2
144.09348	1.5
145.06589	1.5
145.10120	32.8
147.08003	5.3
147.11684	39.9
149.09633	1.9
149.13266	3.5
151.11153	1.8
153.12691	3.9
154.94087	3.0
155.08556	3.8
157.10121	4.4
159.11652	7.3
161.09662	8.7
161.13272	15.9
163.11203	27.4
163.14775	1.7
165.09132	2.6
169.10051	1.9
171.10252	1.7
171.11699	27.1
172.95198	1.8
173.09573	4.2
173.13226	3.6
175.11171	3.1
175.14792	4.8
177.16367	2.6
179.14288	3.1
181.12215	4.5
183.11763	2.3
185.13217	2.7
187.14784	4.4
189.12775	13.0
189.16385	11.6
191.10654	5.2
191.17900	1.4
196.12035	1.4
199.14832	3.0
201.12563	1.4
201.16306	2.5
203.14275	5.1
203.17879	2.5
205.19284	1.6
207.13812	30.9
207.17378	6.1
209.11696	6.1
213.16315	2.1
215.17899	1.7
217.15894	2.0
221.15378	3.4
225.14771	2.1
227.12758	5.5
228.97772	1.6
231.17413	2.1
245.05119	1.7
249.14798	2.4
261.18567	1.3
265.14279	2.2
281.17459	3.8
329.21356	1.5
335.18817	1.6
405.23221	1.5
425.34192	5.0
443.35947	7.8
453.34039	3.3
471.17920	5.3
471.27710	1.5
471.35291	18.5
489.28290	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41341	1.0
51.44253	1.1
56.96568	22.4
67.05500	1.7
67.71078	0.9
69.03413	1.7
69.97098	1.1
71.50413	1.7
72.08144	1.3
72.12386	1.0
72.12910	1.0
78.16394	1.1
81.07066	1.6
84.96027	1.9
85.02879	2.6
86.09692	1.2
89.75993	1.0
93.07019	1.3
95.04901	1.1
95.08582	1.9
98.97588	51.0
99.04438	1.5
105.07049	1.7
107.08603	2.1
109.10137	3.4
114.46194	1.3
116.98621	18.1
119.08598	1.2
127.00703	1.5
133.01617	1.1
134.99741	2.4
135.07983	1.3
135.11639	1.6
153.02242	2.6
158.99654	20.5
159.03270	1.8
167.03815	1.6
171.03305	16.4
175.14717	1.1
177.00703	15.3
177.12769	3.8
181.05322	2.0
185.04843	5.1
189.04369	21.0
193.05428	2.2
195.06938	1.3
195.13791	6.7
197.08519	2.5
203.05939	7.3
207.05382	6.4
211.06406	10.1
213.08046	1.7
215.09531	1.6
219.01706	5.2
221.07008	2.3
229.07506	2.8
233.08490	1.4
237.02901	2.4
249.11552	13.2
267.12683	59.4
279.03949	1.8
285.13736	79.9
286.14172	1.4
290.14301	1.6
291.04007	1.3
299.11685	1.8
303.14853	10.1
309.13733	100.0
310.14136	1.7
327.14798	57.4
328.15265	1.4
350.16486	2.8
357.15192	6.6
369.15826	15.6
429.18057	20.5
447.19031	15.0
489.19684	88.8
490.19861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1006
Annotation	NESS 0327
Peak:m/z	Relative Intensity
69.89310	1.2
69.89713	1.2
78.68159	0.5
81.11744	0.4
83.62827	0.5
123.91724	0.5
147.23289	0.5
148.86945	0.5
159.97505	0.5
489.10046	100.0
490.10483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	11.8
57.03418	2.0
61.02907	1.4
63.72316	1.5
69.03425	3.0
69.34939	12.8
73.02900	6.2
79.05442	1.3
81.07052	2.7
84.96013	1.4
85.02891	4.6
91.38563	1.4
95.04950	1.7
95.08588	3.8
97.02856	2.6
98.21478	2.7
98.97585	68.6
105.00118	1.4
105.07037	1.6
106.99554	1.3
107.08553	3.7
109.02903	1.8
115.00719	9.6
116.98626	17.2
121.10138	3.0
123.11661	1.7
127.03912	1.6
130.63661	1.4
133.01715	3.9
133.04971	1.5
134.99622	2.1
135.11693	2.3
137.13274	2.3
158.99664	15.6
165.02275	1.6
165.09134	1.6
177.00688	6.4
177.16351	2.3
207.06976	1.6
219.01822	3.3
223.10063	10.9
225.08043	13.4
239.09425	1.8
241.11047	2.6
243.09048	2.5
249.08005	4.1
265.11105	16.4
267.09045	35.8
285.10043	27.3
309.10101	29.4
311.51117	1.5
327.11121	12.7
369.12311	13.2
427.04065	1.4
429.14349	56.0
447.15176	4.0
471.14755	1.6
489.17029	100.0
489.22144	7.6
490.17908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.8
56.96554	21.5
57.07078	12.6
60.32440	10.9
64.73861	11.5
67.05511	49.7
69.07083	30.8
69.68314	78.5
79.05487	34.4
81.07043	53.5
83.08620	13.3
91.05476	30.6
93.07039	70.3
95.08600	74.7
105.07037	49.4
106.99712	13.1
107.08601	62.3
109.06453	13.1
109.10165	49.7
114.58938	10.9
117.07028	13.2
119.08564	100.0
121.06537	12.5
121.10149	49.5
123.11711	24.3
131.08580	31.5
132.94250	12.0
133.10130	48.3
135.11736	29.1
143.08554	15.9
145.10118	35.4
147.11635	29.6
149.09644	15.2
149.13239	31.2
159.11703	28.2
161.13342	19.0
163.14871	22.6
171.11578	20.6
173.13292	18.5
175.14865	35.8
175.82246	12.3
177.16373	26.2
177.57893	12.9
187.14833	42.5
189.16380	60.7
191.18027	14.8
199.14896	20.4
201.16396	27.7
203.17978	22.1
261.18781	17.8
309.39697	13.2
310.64102	13.8
315.26630	12.6
389.32141	18.0
407.32950	29.5
423.32675	94.5
435.32626	16.2
442.33905	15.6
453.33701	28.1
470.33365	28.2
471.34796	29.6
488.34573	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74429	6.0
55.05509	9.3
57.07066	15.8
64.99737	8.5
67.05489	23.7
69.07061	13.4
71.25109	6.1
71.61629	7.9
79.05484	13.7
81.07047	34.9
83.08621	17.2
91.05479	17.7
93.07025	25.2
94.20652	6.4
95.08603	54.2
97.10199	9.7
105.07017	26.0
106.72404	5.9
107.08586	42.1
109.10179	47.3
109.62664	5.4
117.07011	9.7
119.08572	39.7
121.10161	34.4
123.08076	6.3
123.11718	13.7
131.08562	20.3
133.08623	6.1
133.10124	29.8
135.11673	24.3
137.13254	11.0
143.08540	7.3
145.10095	30.6
147.11665	22.7
149.09616	8.0
149.13255	11.4
157.10136	15.7
159.11679	22.8
161.13232	23.8
171.11722	9.8
173.13278	26.0
185.13258	18.7
187.14835	50.7
199.14850	7.5
201.16339	39.2
203.14394	11.3
213.16438	7.0
215.14400	10.8
215.17979	9.5
219.13699	7.8
229.15936	14.2
231.17526	7.2
233.15355	7.4
233.19130	8.2
241.56317	6.2
247.16931	11.8
352.61743	6.1
407.33017	9.1
417.31894	10.6
425.34137	14.9
435.32666	82.3
453.33643	100.0
471.34790	38.0
488.36368	28.8
489.35654	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	488.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.3
57.07069	1.6
67.05509	7.7
69.07048	6.0
70.78491	3.2
70.78831	2.2
79.05483	6.1
81.03434	1.5
81.07070	10.8
83.08603	3.1
83.17378	1.2
85.06527	1.6
89.04577	1.7
91.05479	4.3
93.07055	11.0
95.04926	1.5
95.08607	15.1
97.06539	2.3
105.07040	7.1
107.08611	14.8
108.08925	1.8
109.06519	2.8
109.10163	11.4
111.08068	2.0
114.03250	1.4
119.08588	12.1
120.08963	2.6
121.10156	11.6
121.77941	1.3
123.08043	1.5
123.11694	5.3
131.08559	3.6
133.10114	11.3
134.10490	1.5
135.11681	8.3
137.13229	2.2
139.07521	2.6
145.10114	6.1
147.11662	6.2
149.09552	1.4
149.13245	4.3
151.11192	2.5
157.10159	2.9
159.11676	6.2
161.13208	5.2
163.11269	2.0
163.14816	2.8
173.13258	5.4
175.14824	4.3
177.12766	3.5
177.16324	2.8
183.11670	1.7
185.13237	2.6
187.14792	5.5
189.16322	7.2
201.12689	1.8
201.16420	2.2
203.14261	5.2
203.17966	4.0
207.17389	2.5
215.17905	1.9
217.15855	2.0
271.39294	1.5
273.22049	2.6
371.18246	1.4
407.33081	2.7
425.34390	3.5
443.35239	100.0
444.35846	3.2
452.32260	3.6
453.33252	1.7
458.35419	1.5
470.33539	3.4
471.34396	4.4
488.34869	13.0
488.41010	3.3
489.30051	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03942	8.1
55.05505	18.3
57.03442	5.3
59.04996	5.1
67.05498	23.1
69.03416	6.2
69.07063	24.3
70.29770	4.2
71.15990	8.3
79.05486	19.7
81.07047	42.4
83.04996	7.7
83.08615	9.8
91.05492	21.3
93.07053	64.1
95.04929	5.6
95.08616	90.3
97.06544	39.4
97.10196	4.7
99.08090	9.2
105.07034	60.9
107.08591	81.4
109.06490	10.9
109.10176	48.3
111.08101	10.9
117.07050	7.4
119.08580	100.0
119.09447	5.0
121.06520	5.8
121.10146	64.6
123.08080	8.3
123.11720	22.1
125.09605	4.6
127.23595	4.4
128.06245	5.2
129.07077	5.1
131.08556	37.3
133.06514	9.8
133.10124	58.8
135.08031	5.4
135.11671	59.0
137.09618	7.9
137.18980	4.5
139.07614	4.8
141.07047	4.4
142.07765	9.0
143.08553	17.2
144.09352	10.0
145.10115	54.2
147.08093	11.8
147.11681	52.0
149.06017	7.5
149.09613	7.0
149.13281	26.2
151.07547	12.3
151.11205	6.5
155.08543	5.5
156.09367	9.0
157.10126	30.3
159.11688	46.7
161.09618	11.8
161.13239	40.1
163.07504	6.1
163.14816	19.7
165.09128	18.9
169.10095	5.4
170.10995	8.4
171.11681	29.5
173.09755	4.6
173.13258	52.0
175.11214	8.6
175.14813	15.1
177.12730	4.7
177.16431	10.5
179.10649	6.8
179.14337	9.5
179.64262	5.2
182.10854	5.1
183.11723	13.9
185.13293	17.6
187.11180	11.5
187.14844	23.5
189.12772	23.2
189.16409	46.2
191.17946	70.5
197.13272	11.6
199.14822	19.1
201.12697	16.7
201.16377	21.1
203.14339	8.7
203.17964	25.9
205.12122	7.6
207.13782	5.6
207.17476	18.1
211.11278	4.5
211.14864	7.4
213.16400	9.6
215.14270	23.7
215.17906	9.8
217.15868	12.3
217.19518	17.6
219.13811	12.9
227.18030	5.8
229.12343	4.5
235.13324	16.3
243.13837	14.8
253.14378	39.7
261.14948	14.9
279.15915	52.6
353.25018	6.1
405.31592	17.5
405.80499	5.2
423.32410	18.1
441.33551	20.7
451.32117	31.9
469.33203	44.7
487.19669	4.7
487.34799	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	487.3784
Annotation	Fatsicarpain F
Peak:m/z	Relative Intensity
53.19971	4.2
55.01371	3.1
55.05506	10.2
57.07083	4.6
58.41579	3.3
67.05506	17.0
69.07085	18.7
69.41647	26.7
69.42061	5.7
70.22361	3.9
71.76733	3.2
73.92359	3.2
76.64473	3.3
79.05496	11.1
81.07050	34.5
83.08617	6.9
85.06571	5.5
87.04451	8.2
91.05483	9.9
93.07050	34.6
95.08606	74.0
97.06528	4.7
105.07035	26.5
107.08597	44.3
109.06482	5.6
109.10165	49.3
111.08065	7.1
117.07005	3.7
119.08577	48.8
121.06540	4.1
121.10152	55.2
122.49097	3.7
123.08041	4.7
123.11710	14.3
131.08559	16.9
133.10120	30.8
135.11697	25.2
137.13318	5.3
145.10101	26.3
147.11711	29.3
149.13286	6.7
152.02466	3.4
153.09106	4.9
155.54135	4.0
157.10115	10.2
159.11685	27.4
161.13269	22.4
163.11119	4.7
163.14813	16.4
167.10736	4.1
171.11771	8.4
173.13263	13.2
175.14841	13.3
177.16402	8.4
179.14311	6.3
183.11794	4.4
185.13318	9.0
187.14885	22.1
189.12791	4.7
189.16379	43.4
190.69649	4.6
191.17952	14.9
199.14796	8.6
201.16406	25.7
203.16252	3.8
203.17873	20.7
205.19547	3.5
207.17516	8.3
213.16371	5.3
215.18027	10.7
217.15674	4.5
225.16235	3.9
227.17952	4.6
229.19545	23.0
231.21008	4.2
233.15324	4.5
243.20996	4.9
247.16963	9.0
247.20657	8.7
249.18561	7.7
259.16974	4.8
261.18509	14.1
301.21542	4.1
380.07593	3.5
409.34720	5.1
423.32657	26.8
441.33771	10.0
451.36020	53.5
469.31775	6.3
469.36841	16.1
487.35684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.52332	9.3
53.27945	9.4
55.05503	14.1
67.05502	45.0
69.03450	21.9
69.07049	39.8
71.61837	16.1
74.06059	10.0
79.05476	31.5
81.07043	76.3
83.08635	13.6
91.05480	47.5
93.07040	66.6
95.08607	100.0
97.10157	10.3
97.88914	10.2
99.30207	9.2
104.09615	12.0
105.07024	81.3
107.08615	81.9
109.06501	14.7
109.10161	59.5
111.08056	18.7
117.07035	16.8
119.08561	78.6
120.12829	10.8
121.10133	58.7
123.11679	38.7
125.09625	14.8
127.03879	9.9
129.07016	13.6
131.08598	35.9
133.10120	89.0
135.08113	11.5
135.11665	41.0
137.09612	20.9
143.08458	12.1
145.10114	42.3
147.11755	52.1
147.23508	10.7
149.13269	30.5
157.10146	27.3
159.11678	48.8
161.09602	18.3
161.13213	19.7
163.14845	25.1
165.09142	10.8
165.12715	17.1
169.10112	11.6
171.11659	27.0
173.13274	47.0
175.11169	11.6
175.14822	23.1
177.16460	14.3
181.24289	12.0
185.13185	22.3
187.14812	25.5
189.16348	18.8
191.14302	29.4
191.17931	96.1
197.13258	22.9
199.14870	14.3
201.12729	15.6
201.16324	23.5
203.17940	33.4
207.17354	24.0
215.14297	17.7
239.18069	12.2
243.13841	13.7
405.31470	27.1
423.32639	22.3
441.33701	23.8
451.31995	31.3
469.32870	31.2
487.22739	17.0
487.33752	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03950	1.4
54.16588	1.1
55.05501	5.7
57.07081	2.7
59.83342	1.3
66.91781	1.4
67.05505	11.9
69.03413	3.0
69.07066	10.5
70.63522	3.7
73.60391	1.1
79.05491	11.0
81.07062	25.3
83.04971	1.5
83.08601	4.4
85.02899	2.3
85.06532	1.9
89.43348	1.1
91.05479	13.8
93.07050	25.3
94.29157	1.2
95.04970	2.8
95.08040	2.2
95.08604	31.2
97.06531	9.8
97.10114	1.7
98.97564	1.8
99.08092	6.5
105.07030	35.5
107.07856	1.9
107.08594	36.7
109.06517	4.9
109.10164	19.0
111.08090	2.6
111.11727	2.3
115.07552	1.4
117.06996	3.8
119.08585	48.0
121.06516	2.4
121.09307	1.4
121.10143	19.5
123.08037	5.0
123.11732	7.6
125.05995	2.0
125.09625	1.6
129.06918	3.4
130.07802	2.0
131.04916	4.8
131.08572	19.1
133.10132	36.7
135.08012	2.2
135.11694	36.5
137.09560	2.4
137.13188	2.2
141.07033	1.4
142.07787	1.8
143.08542	7.9
145.10117	19.9
146.10844	1.8
147.08017	6.9
147.11688	25.8
149.05994	15.5
149.09587	3.0
149.13315	7.7
151.11110	2.2
153.09079	1.5
155.08600	1.7
156.09276	2.8
157.10155	8.6
158.10922	1.5
159.08008	1.6
159.11685	14.4
161.09570	3.9
161.13278	14.3
163.07541	2.0
163.14825	11.6
165.09103	2.8
165.12729	1.4
169.10114	4.1
170.10846	1.8
171.11690	8.0
173.09554	1.9
173.13264	22.5
175.11218	6.6
175.14809	4.7
177.12790	2.0
182.10907	1.5
183.11763	5.0
185.13254	6.9
187.11226	3.1
187.13266	1.5
187.14745	7.9
189.09067	1.6
189.12813	7.0
189.16391	58.3
190.16777	1.7
191.14259	3.7
191.17935	17.8
195.11687	1.4
197.13245	4.2
199.14821	5.6
201.12770	8.7
201.16371	4.6
201.77924	1.2
203.10719	3.0
203.14272	3.0
203.17976	7.9
205.12303	1.7
207.17444	100.0
208.17886	1.7
209.13181	2.1
211.14755	1.9
213.16335	2.9
215.14369	6.4
217.12270	2.7
217.15919	3.2
217.19510	4.6
219.13795	21.0
219.17436	1.5
221.15477	1.3
231.13846	1.6
233.15379	3.6
235.13264	5.0
239.17940	2.0
243.13789	3.7
243.17352	1.8
253.14337	7.2
261.14749	2.5
269.19025	1.3
279.15887	13.3
320.97177	1.4
388.56958	1.5
405.31314	4.5
407.33295	2.3
423.33005	8.6
425.34070	3.1
441.33636	54.8
442.34262	2.2
451.32138	6.9
469.33487	9.5
487.30118	6.6
487.34106	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	487.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
67.05515	0.9
69.07061	2.7
69.55350	6.1
71.04933	0.9
79.05496	3.1
81.07049	6.1
85.06538	1.4
91.05473	4.8
93.07039	8.6
95.08602	8.4
97.06542	1.7
98.21428	2.0
99.08076	4.7
105.07027	17.2
107.08599	13.2
109.06490	1.0
109.10178	4.5
117.06988	1.8
119.08577	20.2
121.10128	4.8
123.08059	2.0
123.11702	2.1
125.06025	2.1
131.04951	4.6
131.08583	8.7
133.10135	15.3
133.79813	0.9
135.11697	21.1
143.08559	3.4
145.10107	3.0
147.08005	5.1
147.11665	10.4
149.05965	11.5
149.13242	3.9
151.11192	3.1
157.10190	2.3
159.11731	2.0
161.13316	2.5
163.14807	5.8
173.13251	8.4
175.11134	1.8
175.14844	1.7
177.38356	1.0
183.11568	1.4
185.13319	2.2
187.14775	1.8
189.16380	50.1
199.14674	1.2
201.12718	5.0
203.14287	2.7
207.17444	100.0
207.55142	0.9
208.17810	2.1
219.13789	21.5
237.14926	1.7
326.94330	1.0
405.31570	1.6
423.32565	6.9
425.34061	3.0
441.33630	56.5
442.34143	1.4
443.34781	1.8
487.33981	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	487.3419
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05503	2.3
66.50346	0.9
67.05505	1.9
69.07067	2.9
70.85636	2.8
79.05499	2.7
81.07047	6.8
83.08643	1.1
91.05481	4.0
92.33678	0.8
93.07061	4.9
95.04968	1.0
95.08625	7.8
97.54784	0.9
98.20808	1.0
105.07034	8.9
107.08616	8.8
109.10172	4.1
117.07001	1.6
119.08582	14.5
121.10127	4.3
123.11710	2.7
129.07016	1.5
131.08565	7.3
133.10130	7.1
135.11705	6.9
142.07799	1.4
143.08572	2.5
145.10173	6.1
147.11685	5.2
149.09583	1.2
149.13303	1.8
151.07585	1.1
154.07816	0.9
155.17955	0.8
157.10106	4.3
159.09625	0.9
159.11800	5.5
161.09708	1.4
161.13290	3.8
163.11147	1.2
163.14795	1.3
165.09189	3.2
169.10126	1.1
171.11754	3.7
173.09619	1.3
173.13301	5.8
175.14850	2.9
183.11707	2.8
185.13368	2.9
187.14909	5.6
189.12833	1.7
189.16385	7.4
197.13228	2.2
198.39297	1.0
199.14830	1.9
201.12747	5.7
201.16409	1.4
203.14398	1.5
203.17976	1.6
205.12239	1.5
207.17467	4.9
209.13327	1.1
215.14351	1.9
219.13858	3.2
239.20427	1.0
247.13300	2.4
251.12917	1.4
265.14291	2.0
320.87762	0.9
346.24329	1.0
381.31598	3.2
405.31918	1.1
423.32690	3.7
426.34836	1.7
433.27396	1.0
441.33902	2.1
469.33157	2.1
487.34277	100.0
488.34680	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
53.03943	2.7
55.05496	11.6
57.03434	3.4
67.05502	18.4
69.03379	2.5
69.07081	13.3
71.12949	4.7
79.05481	11.6
81.07062	34.6
83.04954	4.4
83.08624	6.8
91.05492	12.5
93.07038	27.3
95.04951	5.9
95.08600	46.4
97.10132	4.1
105.07034	34.9
107.08590	50.4
109.06532	3.6
109.10166	29.7
111.08064	4.9
116.09260	2.3
117.07003	6.6
118.34191	2.7
119.07685	3.4
119.08566	46.1
119.26861	2.7
121.10143	43.6
123.08024	6.4
123.11707	15.9
128.06165	3.4
129.07005	4.8
130.43436	2.6
131.08582	14.8
133.10123	38.0
135.08047	5.8
135.11696	30.0
137.09622	3.9
137.13290	5.9
143.08551	7.9
145.10109	27.0
147.07903	2.5
147.11679	23.5
149.09596	5.8
149.13264	13.3
151.11195	3.1
151.14789	3.3
155.36238	2.8
157.10126	11.0
159.08069	3.5
159.11700	20.7
161.09630	5.0
161.13287	17.9
163.14801	9.8
165.12755	3.8
167.10648	3.2
169.10117	6.4
171.11629	9.8
173.09563	4.7
173.13255	22.7
175.11147	4.8
175.14816	24.3
177.12738	3.7
177.16367	9.4
179.14307	3.8
183.10155	2.8
183.11668	6.5
185.13275	7.0
187.11124	6.4
187.14825	25.2
189.12793	7.0
189.16373	32.5
191.14313	6.0
191.17943	8.5
193.15820	5.6
197.13257	7.1
199.14781	9.8
201.12698	18.0
201.16330	14.8
203.14307	7.1
203.18010	12.7
207.17398	24.9
211.14673	3.9
213.16327	5.5
215.14259	8.6
215.17940	4.8
217.15805	7.1
219.13882	12.9
221.15359	3.9
225.16496	3.1
227.17979	5.3
229.12282	2.7
229.15845	5.3
229.19519	2.9
233.15347	5.4
235.16951	5.2
241.15755	3.7
247.13229	9.2
247.16977	4.5
248.77968	2.8
253.15555	3.3
265.14548	4.5
269.18839	3.0
289.18140	3.1
352.88162	2.6
381.27505	3.8
387.30515	3.5
401.26807	3.1
405.31387	11.6
423.32571	23.3
427.32047	3.0
433.30890	10.3
441.33646	30.4
451.32147	22.2
469.33347	44.7
487.34470	100.0
488.34717	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	487.3419
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
52.32342	1.3
55.05510	7.7
57.07058	2.1
67.05497	9.1
69.03420	4.4
69.07054	8.7
71.04983	1.8
71.15862	3.0
73.02882	2.0
79.05495	10.1
81.03406	1.6
81.07053	16.8
83.04977	4.7
83.08634	2.2
85.02908	2.9
85.06526	1.6
91.05469	12.9
93.07042	20.3
95.04975	5.3
95.08612	26.9
97.06554	8.5
97.10171	1.8
98.97591	2.8
99.08098	10.7
103.05470	1.7
105.07029	20.7
106.27793	1.3
107.04984	1.9
107.08593	28.6
109.06529	4.8
109.10149	14.8
111.08100	3.3
113.80339	1.4
116.98654	1.7
117.07047	5.3
119.08579	46.3
119.09435	2.3
121.06512	3.1
121.10146	17.8
123.08099	2.7
123.11710	7.9
125.06072	1.3
125.09695	2.0
128.06204	1.8
129.07004	1.7
131.08575	12.9
133.06493	7.1
133.10135	23.1
135.08099	3.2
135.11690	18.2
137.09647	2.8
137.13245	2.5
139.11160	2.3
142.07822	1.5
143.08577	5.6
145.06497	2.7
145.10123	14.2
147.08096	2.0
147.11693	11.4
149.09663	4.1
149.13303	5.2
155.08592	3.6
156.09416	1.5
157.08994	2.3
157.10069	9.1
159.08099	3.3
159.11710	8.8
161.09598	26.7
161.13245	7.4
163.04085	1.6
163.07532	7.5
163.14900	3.2
165.09093	2.8
169.10172	2.9
170.10909	1.5
171.08054	1.9
171.11703	6.9
172.12206	1.8
173.09641	4.1
173.13255	14.1
175.11212	3.6
175.14819	20.2
177.12770	2.4
177.16423	4.3
179.14325	2.3
181.10057	1.8
183.11772	4.8
185.13312	4.4
187.11214	4.1
187.14810	26.8
189.12822	4.2
189.16376	21.3
191.14360	2.7
191.17908	8.6
193.15886	2.7
197.13306	5.7
198.43700	1.5
199.11226	2.5
199.14824	5.0
201.12753	2.8
201.16441	2.8
203.10640	1.4
203.14308	3.1
205.12198	1.9
205.15996	4.2
207.17468	8.9
209.13280	2.3
211.14880	2.2
213.12743	2.0
213.16367	3.1
215.14311	12.9
217.15857	6.9
221.15421	3.0
229.15961	1.6
233.15379	16.3
235.16937	8.0
239.17943	1.4
261.14709	1.8
269.19128	1.8
283.20703	2.2
287.20102	5.6
299.20096	1.6
304.33926	1.6
369.28052	3.8
405.31772	3.0
423.32751	11.2
441.33679	50.6
442.34152	3.0
451.32526	3.0
464.25150	1.5
469.33850	8.3
487.34256	100.0
488.34604	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	487.3056
Annotation	(+)-Tubelactomicin A
Peak:m/z	Relative Intensity
51.46899	5.5
53.03937	8.6
55.05512	29.6
57.07073	12.7
67.05504	32.2
68.56792	5.4
69.03426	22.3
69.07069	28.5
69.39197	5.6
70.95868	11.8
71.05011	9.8
71.61835	8.5
72.93777	14.9
79.05486	27.4
81.03419	10.3
81.07059	85.1
83.04981	15.6
83.08619	14.5
85.02929	31.7
85.06532	19.5
90.94850	6.6
91.05477	50.8
93.07043	60.8
95.04964	16.8
95.08604	67.9
97.02875	7.9
97.06474	7.2
99.08089	6.7
105.07037	82.4
107.08599	77.8
109.02908	10.0
109.06513	12.6
109.10155	39.3
111.08058	16.1
115.05460	5.7
117.07038	15.7
119.08588	100.0
120.92092	5.7
121.06519	14.8
121.10151	53.6
123.08069	13.0
123.11703	14.1
125.09595	11.9
127.03943	8.0
128.06189	7.8
129.07028	10.1
131.08582	35.9
133.06407	7.6
133.10132	52.4
135.08040	15.5
135.11681	32.1
137.09546	13.4
142.07690	8.2
143.08549	31.8
144.09328	9.6
145.10127	65.1
147.08012	10.0
147.11684	45.5
149.09645	13.6
149.13237	21.7
151.07549	7.0
151.11180	8.3
155.08623	9.6
156.09351	9.8
157.10091	27.3
158.97322	6.9
159.11694	55.7
161.09641	8.9
161.13269	48.1
163.03859	12.3
163.07610	7.4
163.11160	15.5
163.14848	7.5
165.03595	7.6
165.09181	11.7
165.12772	8.6
166.97832	7.1
168.99527	8.2
169.10069	12.5
171.11678	34.8
173.13255	51.7
175.11177	14.5
175.14844	23.9
177.12627	9.2
181.10130	7.4
183.11630	13.2
184.99016	6.8
185.13246	20.2
187.11255	14.2
187.14807	25.8
189.12737	20.5
189.16368	22.6
191.14264	8.1
192.99428	19.2
195.11632	7.3
197.13319	11.0
199.14835	23.6
200.15582	5.4
201.12874	8.3
201.16321	16.4
203.14291	31.5
207.13878	8.5
207.17513	8.5
209.13327	8.1
211.14816	13.8
213.12766	6.2
213.16309	6.7
215.14331	20.6
217.15990	9.9
219.13739	11.6
223.14783	8.5
225.16359	9.0
227.14413	12.1
231.13802	7.3
233.15390	18.8
235.13216	39.0
265.05222	43.0
283.06250	18.4
289.24902	9.3
307.06177	9.6
307.26410	10.3
325.07236	23.8
367.08365	9.1
387.26648	15.9
405.27704	22.6
423.28629	49.9
433.27341	16.1
441.29984	18.0
451.28241	35.2
469.29272	51.3
487.12546	27.2
487.24036	12.2
487.31226	81.1
487.39774	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16161	5.5
55.05504	24.0
55.76466	5.7
57.03432	7.0
58.63337	6.0
67.05515	39.6
69.03420	11.7
69.07078	38.6
69.45755	18.9
69.46178	34.4
71.04992	12.3
74.18736	6.7
79.05489	39.4
79.05885	5.7
80.81897	5.6
81.03432	7.6
81.07053	100.0
81.73680	5.9
83.04980	9.2
83.08614	12.1
85.02903	22.4
85.06532	18.6
91.05468	46.6
93.07059	58.6
95.04975	22.0
95.08614	77.5
95.57467	7.2
97.06536	9.5
97.10172	8.1
98.20760	11.7
99.08112	10.7
105.07045	82.7
107.04929	8.5
107.08578	71.8
109.06499	17.7
109.10151	50.8
111.08058	15.8
117.07003	23.1
119.08578	95.7
121.06515	13.2
121.10139	39.2
123.08057	7.5
123.11694	26.8
125.09634	6.5
129.06996	10.1
131.08551	41.7
133.06439	9.2
133.10124	42.0
135.08038	18.6
135.11659	18.1
137.09616	13.9
137.13202	9.2
139.11169	11.1
143.08554	27.3
145.10107	42.2
147.08130	8.7
147.11708	44.3
149.09583	9.8
149.13191	15.9
151.11165	8.7
156.09404	7.6
157.10106	22.0
159.11691	45.9
161.09547	7.8
161.13269	49.1
163.11116	9.6
163.14848	15.1
165.09132	14.0
169.10115	8.0
171.11684	26.3
173.13254	37.0
175.11214	14.4
175.14806	31.4
178.08063	6.8
185.13246	21.2
187.14828	22.1
189.12672	16.9
189.16356	12.0
191.14325	10.1
201.16446	11.2
203.14333	48.7
203.17943	8.6
205.15788	9.8
215.14384	12.1
217.12292	12.1
233.15358	10.4
235.13286	24.7
249.14848	12.8
261.14865	10.9
271.64902	7.9
289.25223	14.0
307.26334	14.5
325.19775	10.8
405.27548	13.1
423.28360	13.3
451.27969	13.6
487.24487	20.1
487.30829	41.1
502.40283	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	487.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01850	4.5
55.05505	30.8
57.07073	11.0
63.29940	4.4
65.03934	3.9
67.05497	40.9
69.03424	10.8
69.07069	27.9
69.33419	11.5
69.33836	29.4
71.04975	4.8
71.52522	3.8
79.05494	36.0
81.03417	8.1
81.07057	100.0
83.04980	14.3
83.08609	18.8
85.02916	24.4
85.06058	3.9
85.06537	16.1
91.05495	35.8
93.07054	56.9
95.04956	13.1
95.08040	7.4
95.08608	92.5
97.02934	5.8
97.06524	5.8
97.10191	8.5
98.20792	9.9
98.97572	5.4
99.08085	12.6
105.07033	68.5
107.08600	63.0
109.06499	10.0
109.10155	56.2
111.08052	11.7
111.11705	5.5
117.07027	15.8
118.79439	4.0
119.08586	72.9
121.06526	8.2
121.10149	42.3
123.08074	12.5
123.11707	19.7
125.09634	9.0
127.03925	7.3
131.08553	31.4
133.06451	4.9
133.10129	47.6
135.08044	11.1
135.11713	26.7
137.05971	6.1
137.09583	5.9
137.13222	7.0
139.11223	4.8
143.08566	13.7
145.10109	37.3
147.08078	8.9
147.11670	25.4
149.09503	8.2
149.13287	22.6
155.08583	7.0
156.09302	9.4
157.10143	15.6
159.11684	35.0
161.09663	10.2
161.13246	38.8
163.03894	5.7
163.11197	8.7
163.14819	12.2
165.09126	8.3
165.37988	4.6
169.10069	5.0
171.11650	7.5
173.13235	22.8
173.81697	4.8
175.07555	5.7
175.11259	7.3
175.14795	29.0
177.16368	8.3
183.11710	5.8
185.13289	19.1
187.14905	9.6
189.16418	12.7
191.14308	5.0
197.64224	3.8
201.12891	5.7
203.14323	40.0
215.14406	6.2
215.17981	7.3
217.12262	8.2
218.14684	4.7
235.13240	7.7
238.33635	4.5
261.14975	6.9
271.24164	4.9
289.25284	17.3
307.26260	13.6
325.19772	19.4
325.27457	21.0
405.27783	8.7
423.28830	11.4
433.27231	5.4
451.28430	9.6
469.29337	9.8
487.25775	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1944
Annotation	Rutaevin
Peak:m/z	Relative Intensity
52.93848	0.9
55.05494	1.1
56.96566	2.6
67.05490	1.0
69.07071	1.2
74.57156	0.9
79.05511	1.7
80.48463	0.9
81.07050	5.4
85.06488	0.9
91.05476	2.2
93.07031	3.2
95.08595	3.7
98.97594	14.9
105.07014	4.6
107.08594	5.3
109.10162	1.8
110.50811	0.8
110.97581	10.1
116.98593	3.1
117.07014	1.2
119.08589	6.2
120.59787	1.0
121.10149	3.3
124.99139	1.0
127.29932	0.9
128.98622	6.7
131.08566	3.4
133.10120	2.9
135.11713	1.6
140.98584	1.4
143.00162	2.6
145.10161	2.8
146.99638	1.3
147.11658	1.4
149.13199	1.6
155.00153	1.1
158.99637	1.9
159.11674	1.7
161.01204	1.1
161.09558	1.1
161.13300	1.6
170.99632	5.9
171.11662	1.5
173.01213	1.6
173.13208	2.2
174.72850	1.1
175.14827	1.9
177.00642	1.0
179.14333	1.2
182.99638	1.1
187.14851	1.3
189.00777	3.8
189.16440	3.0
197.13351	1.5
201.00798	1.4
201.12881	1.1
207.17580	1.7
231.01691	4.4
233.15417	2.3
235.13191	1.1
248.15231	1.1
249.02824	12.1
251.16530	1.2
252.76062	0.9
267.03879	1.6
291.03888	7.9
321.98755	1.1
339.12155	1.1
349.05231	6.2
367.14542	5.2
423.28912	1.3
441.33469	2.7
487.19391	100.0
487.29776	9.9
488.19885	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01873	4.6
55.05510	18.1
57.03430	5.8
57.07063	6.6
57.48368	2.1
58.85581	2.2
59.05001	4.8
61.02925	4.2
67.05514	10.3
67.70916	2.0
69.03429	16.9
69.07071	33.8
69.28342	21.7
71.04981	10.1
73.02908	4.8
75.20116	2.0
75.71893	1.9
79.05495	16.8
81.03410	19.0
81.07059	43.3
81.26875	2.3
83.04970	5.3
83.08627	14.4
85.02901	38.3
85.06547	3.5
87.00831	13.9
91.05476	14.7
93.07040	32.1
95.04939	4.0
95.08609	39.0
97.02874	12.2
97.06529	12.5
97.10155	2.6
98.97565	4.1
99.04459	4.8
99.08083	6.6
105.01869	5.2
105.07028	32.1
107.08595	46.4
109.02876	12.1
109.06497	4.4
109.10156	33.2
111.08071	5.9
111.11709	5.2
115.03930	4.7
117.07068	3.0
119.08585	42.0
121.06512	2.2
121.10151	21.7
123.08075	9.1
123.11718	15.2
125.05972	3.5
125.09596	3.5
125.13255	11.0
127.03921	21.5
127.11169	5.3
129.06911	2.4
131.08585	13.6
133.10123	35.7
135.08072	2.8
135.11693	64.7
137.05992	3.7
137.09601	7.9
137.13239	6.5
139.11188	3.8
143.08511	6.0
145.04973	6.6
145.10133	13.9
147.08040	6.1
147.11685	21.7
149.05963	14.4
149.13264	18.5
151.07509	2.6
151.11099	3.0
153.12753	24.5
157.10164	4.9
159.02875	5.3
159.11700	9.1
161.09619	2.8
161.13286	8.6
163.14833	10.3
165.09128	5.6
167.07013	2.6
169.95135	2.6
171.08124	2.3
171.11656	6.2
173.13246	12.9
175.14774	5.9
177.12910	2.7
181.10072	2.3
183.11731	3.4
185.13121	3.5
185.33934	2.2
187.14825	6.0
189.12799	2.8
189.16400	47.2
191.14304	3.0
191.17923	3.1
201.12784	6.5
203.14352	2.1
203.17957	17.5
205.15878	2.2
205.19406	4.8
207.17433	100.0
215.14490	2.3
217.15875	2.2
219.13800	21.5
221.19014	48.4
231.04961	6.4
239.20007	3.9
269.18961	2.7
271.24472	2.3
302.23709	2.4
393.98364	2.4
423.32645	5.8
425.33911	3.3
441.33618	51.2
443.35458	2.8
469.24417	2.7
487.19260	13.7
487.33908	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	487.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.8
57.03414	0.4
67.03991	0.4
69.03418	1.1
70.06585	2.0
71.60573	0.6
83.01103	0.7
84.01887	0.5
85.02917	2.0
86.09664	0.5
89.42934	0.4
95.01093	2.1
95.08630	0.4
96.01877	0.7
97.02869	0.8
98.97594	2.1
109.02776	0.5
110.97610	0.6
112.01350	0.8
113.02166	2.4
113.23589	0.5
116.98618	0.8
126.79482	0.5
127.03931	0.5
128.98608	0.5
129.07088	0.4
131.00244	0.6
131.75555	0.4
135.04446	0.8
137.05978	0.5
157.04716	0.8
158.99611	0.9
163.03947	1.5
167.03220	0.6
167.07094	1.0
179.03371	3.5
181.04988	0.5
185.04221	3.8
189.05238	13.3
201.03790	1.0
203.05252	0.9
219.01701	0.7
235.05870	1.2
237.02815	1.3
243.08490	0.6
250.08142	12.2
251.09102	0.7
259.07764	2.2
265.07019	0.7
289.22870	0.5
293.09973	1.5
306.11118	0.5
325.12842	1.1
341.12054	0.6
355.04831	0.8
373.08011	0.8
395.13147	1.5
399.10022	0.4
457.16730	1.6
481.00656	0.5
487.17899	100.0
488.17981	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
56.60292	0.7
56.96562	15.4
69.03420	0.7
69.63124	1.8
69.63549	2.9
71.95252	2.7
79.05453	0.7
83.04974	2.0
85.02924	0.8
86.09702	1.1
92.14944	0.8
97.02866	0.9
98.97581	100.0
105.07044	1.7
107.08618	1.1
110.97557	0.8
115.00716	1.5
116.98620	29.6
119.08607	0.8
134.99666	3.8
135.11671	1.1
140.00130	0.9
141.02222	1.9
155.03745	1.7
158.99654	19.3
159.03293	1.3
163.03862	1.2
173.04866	1.4
177.00719	10.0
181.05313	0.8
183.65041	0.7
199.06429	1.3
200.11049	0.7
201.47076	0.7
213.04492	0.9
219.01767	3.5
224.03548	1.5
227.05946	0.7
228.71286	0.7
239.09692	1.0
247.10080	5.7
249.03049	0.8
265.11121	45.8
277.53604	0.8
283.12128	17.7
288.12735	1.2
305.10669	1.1
307.12146	65.0
308.12405	1.1
325.13202	34.6
335.09528	1.9
343.13904	1.8
348.14725	2.1
367.14224	15.0
427.16434	14.6
445.17456	7.9
487.18994	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40231	4.0
51.74955	3.9
55.01871	8.9
56.96563	12.0
57.03435	6.8
61.02930	6.8
64.14866	4.1
65.36726	3.8
69.03429	18.5
69.66248	22.0
69.66673	7.7
70.06577	6.6
71.04998	6.3
73.30507	5.0
77.31973	3.5
81.03413	22.3
81.07014	4.7
85.02884	22.2
86.09709	8.9
87.04520	4.4
91.05473	6.1
94.49916	3.7
95.08594	6.0
97.02908	5.7
98.21527	4.1
98.97588	32.2
99.04437	7.0
105.07032	5.0
116.98656	5.9
119.08511	4.3
121.10184	4.7
128.98582	4.6
131.00127	4.4
133.02901	5.3
133.10201	4.2
137.06053	4.6
147.09187	6.2
149.98145	4.1
158.99654	10.6
163.03908	6.9
165.22020	4.3
166.84503	3.9
167.07079	31.7
173.07179	7.1
175.08670	6.9
191.08159	100.0
219.01810	9.7
227.09114	5.8
237.02844	8.0
248.19331	4.4
263.07269	7.7
263.09616	5.1
281.10593	6.8
298.08865	10.2
307.12863	29.1
312.14355	4.0
325.13901	76.3
382.14404	5.7
405.14191	6.3
487.17551	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09755	0.3
57.53836	0.3
69.53825	1.0
69.54236	0.9
75.13558	0.3
91.05444	0.3
95.08581	0.3
101.72253	0.2
105.07030	0.4
144.95370	0.3
178.57173	0.3
203.03223	0.3
213.44685	0.3
265.38510	0.3
270.60178	0.3
485.36069	100.0
486.36581	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	487.1216
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
51.34248	3.9
57.03434	5.8
69.03426	13.9
69.64820	9.0
69.65235	23.5
73.02905	5.5
81.03445	4.3
85.02926	20.3
85.41579	4.0
97.02913	10.3
98.97584	8.3
119.01894	4.8
127.03941	13.1
129.51683	4.3
145.01715	4.1
145.04997	8.3
155.01909	6.4
161.03030	4.4
163.03900	15.6
171.05067	4.7
174.89578	11.1
183.04826	4.2
198.98497	4.7
245.05029	7.2
264.07809	4.6
291.09097	6.0
321.10504	8.1
487.12201	100.0
487.18030	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	487.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56111	0.6
56.96570	6.2
69.03414	1.3
69.61015	4.9
83.01089	1.1
84.96027	2.7
85.02882	2.6
95.01077	2.5
97.02875	1.2
98.20731	1.3
98.97588	14.2
110.97594	3.8
112.01349	0.8
112.99081	1.0
113.02122	2.3
115.03989	0.8
116.98602	6.0
124.99093	1.4
127.54481	0.7
128.98578	3.2
130.90288	0.8
131.00128	1.6
134.99643	1.3
143.00137	4.4
146.99702	1.2
158.97499	1.1
158.99667	5.0
161.01231	4.2
162.05482	2.4
163.03893	1.7
163.05919	0.9
170.99646	2.8
173.01213	0.9
174.98964	0.7
177.00725	5.1
182.97557	0.7
182.99707	0.8
185.01239	2.6
185.04208	3.2
189.00717	3.1
197.01270	1.7
201.00632	2.0
201.03687	1.0
203.02222	0.9
203.05170	0.8
205.04710	11.6
211.02837	1.5
215.02316	0.7
219.01736	5.8
221.06026	1.1
229.03761	1.0
234.99054	2.0
235.05617	0.8
237.02832	4.1
250.08186	9.0
253.03842	2.1
259.07895	2.5
283.04971	1.2
293.09961	1.0
295.05798	2.6
315.03796	0.9
325.05930	1.0
333.05054	1.7
335.04306	2.5
351.06024	3.0
355.01257	1.0
355.06982	2.3
373.08401	1.0
411.12607	0.8
439.09631	0.8
456.15482	0.7
487.11368	19.4
487.17834	100.0
488.18127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05498	1.6
57.07068	0.9
67.05492	2.2
69.07060	3.2
69.54847	4.2
69.55255	1.6
74.88468	0.9
79.05485	2.4
81.07068	6.4
83.08612	1.0
90.83970	0.7
91.05498	3.9
93.07048	5.0
95.04980	1.7
95.08618	8.1
97.06534	1.0
99.08111	1.0
105.07033	7.6
107.08583	9.7
109.10151	3.7
111.08124	1.2
113.37051	0.8
119.08579	9.2
121.06571	0.9
121.10151	7.3
123.08023	1.9
123.11720	2.1
131.08562	4.9
133.06560	0.9
133.10158	8.0
135.08064	1.8
135.11714	4.1
137.09615	1.1
143.08557	3.6
145.10120	6.1
147.08003	1.8
147.11697	5.5
149.09607	2.2
149.13235	2.1
155.08470	0.9
157.10071	4.4
159.11684	5.2
161.09651	1.3
161.13242	2.9
163.11113	1.4
163.14781	2.0
169.10124	2.5
170.10931	1.1
171.11699	3.2
173.09702	1.6
173.13286	5.1
175.11243	1.9
175.14793	4.6
183.11740	2.5
185.09671	1.4
185.13246	2.8
187.11072	1.3
187.14812	5.4
189.12785	1.3
189.16380	3.7
191.17885	0.9
195.11575	1.2
197.13338	1.6
199.11301	1.0
199.14757	2.7
201.12659	1.2
201.16353	2.9
203.14259	1.3
205.15930	0.9
209.13182	1.2
211.14835	1.6
213.12825	1.8
215.14357	1.8
217.15836	1.3
219.13768	2.5
223.14888	1.3
225.16437	1.3
229.15804	2.0
229.19479	1.0
231.13754	1.8
241.19597	1.5
251.14153	1.0
281.19095	1.3
295.16998	1.5
307.20746	1.7
385.28940	1.0
397.27429	1.5
403.29837	2.6
410.27960	1.1
421.31018	7.2
425.25952	1.0
439.32053	1.9
449.30850	5.1
467.31598	100.0
468.32016	2.1
485.32910	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	485.3264
Annotation	Poricoic acid B
Peak:m/z	Relative Intensity
53.03949	3.1
55.05508	18.2
57.07076	4.0
62.35816	2.8
67.05508	22.9
69.03442	6.6
69.07062	25.2
69.46704	27.6
71.04978	6.5
73.06601	3.4
79.05499	19.5
81.07061	40.0
83.04985	6.3
83.08636	9.4
85.02941	3.9
85.06550	5.9
91.05468	29.9
93.07044	41.8
93.18462	3.1
95.04996	4.3
95.08606	69.4
97.02887	3.9
97.06544	19.6
97.10181	4.6
98.21490	7.0
105.07034	50.3
107.08597	70.3
109.06542	8.9
109.10160	43.9
111.08095	7.8
115.15982	3.2
117.07030	13.0
119.08587	77.5
121.06477	5.2
121.10141	36.8
123.08080	9.8
123.11684	25.7
125.09705	4.6
127.03954	4.5
129.07036	6.9
129.91631	3.3
130.07788	4.5
131.08574	22.4
133.10136	51.1
135.08051	7.8
135.11696	34.4
137.06027	3.1
137.09647	5.0
137.13283	7.3
141.07010	3.8
142.07780	6.3
143.08575	26.4
144.09410	5.3
145.10126	51.9
147.08035	4.3
147.11688	43.9
149.05992	5.4
149.13287	27.1
151.07616	3.7
151.11171	6.9
151.14726	3.9
155.08582	12.2
156.09358	7.3
157.10118	40.7
158.10883	6.9
159.08084	4.4
159.11691	53.3
161.09662	9.3
161.13257	24.3
163.14830	13.6
165.12782	3.6
167.08589	4.3
169.10124	18.7
170.10934	8.0
171.11693	25.1
173.09619	4.4
173.13281	24.5
175.11211	8.3
175.14838	14.8
177.12808	4.5
177.16408	12.1
177.22174	3.8
179.10672	4.6
179.14320	7.9
181.10110	17.5
182.10939	6.2
183.11705	21.7
185.09601	3.3
185.13240	24.7
187.11224	8.4
187.14857	22.3
189.12767	12.3
189.16376	46.6
191.14323	14.7
191.17918	6.7
193.10031	4.5
194.10849	4.4
195.11708	9.6
197.13283	29.0
198.14078	3.9
199.11200	11.9
199.14767	24.3
201.12788	17.1
201.16420	32.3
203.10706	6.7
203.14323	6.2
203.17966	19.6
205.15953	5.2
207.11714	6.1
207.17403	16.4
209.13187	8.8
210.14392	3.2
211.14850	11.0
213.12839	7.9
213.16351	21.2
215.10558	4.2
215.14348	16.7
215.17969	12.4
217.12262	7.3
217.15875	4.1
219.13824	8.2
221.13425	5.0
222.14046	3.4
223.14900	10.5
225.12854	4.9
225.16422	12.6
227.14301	12.4
227.17874	6.4
231.13809	9.3
237.16319	6.8
237.48189	3.4
239.17935	6.7
241.15863	9.5
243.17502	6.5
245.11754	4.6
245.15244	4.5
247.13368	3.9
251.17986	7.8
253.19559	3.7
255.17554	4.7
255.21030	5.8
259.13275	5.0
267.17499	11.1
269.18991	6.0
270.07648	5.4
279.21140	3.6
281.18976	5.8
284.09174	6.4
295.20432	4.3
313.18076	8.1
326.10175	5.2
344.11340	6.6
353.24542	4.1
361.28940	8.4
379.29819	10.4
393.31616	5.1
395.29260	5.3
403.29877	27.2
405.31461	4.8
417.63959	3.2
421.25836	6.6
421.31058	100.0
422.31442	7.3
431.29605	7.2
439.32312	30.4
449.30630	52.6
467.31750	47.3
485.19424	23.3
485.33008	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	485.3261
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.90512	1.5
52.69684	1.2
55.05502	5.0
57.07053	1.2
57.31496	1.3
61.92762	1.1
67.05494	6.5
69.07045	5.6
69.97626	4.8
71.04981	4.8
72.08148	3.6
79.05486	5.5
81.07056	13.3
83.08607	1.9
83.77032	1.3
91.05508	6.8
93.07038	10.2
95.08600	21.7
95.09154	2.1
97.06517	1.2
105.07022	13.3
106.09861	1.3
107.08604	14.3
109.10177	8.5
112.52833	1.4
113.06018	2.3
117.07087	1.7
119.04961	1.4
119.08569	20.1
121.06475	1.3
121.10128	12.4
123.08096	1.6
123.11710	4.0
124.23822	1.3
129.07071	1.4
131.07030	1.8
131.08563	9.4
133.10127	15.6
135.08046	3.8
135.11682	10.9
143.08554	5.7
145.06470	1.6
145.10097	9.2
147.08028	2.5
147.11658	10.8
149.13261	3.5
151.11195	1.5
155.08508	2.5
157.10147	6.1
159.08089	5.0
159.11696	7.6
161.09631	4.6
161.13283	4.7
163.07561	3.8
163.14871	3.6
169.10091	2.9
171.08009	2.5
171.11661	6.6
173.09599	16.2
173.13261	8.0
175.07597	1.9
175.11305	2.3
175.14857	7.4
177.09048	2.0
177.12650	1.6
177.16296	2.2
183.10197	2.2
183.11693	3.3
185.13283	3.0
187.14833	7.3
189.12741	3.3
189.16344	16.7
191.17848	2.0
195.11731	3.5
197.13278	2.9
199.11197	2.1
199.14844	1.8
201.12854	2.2
201.16425	5.4
203.14500	1.6
203.17972	2.6
207.17387	16.8
209.13287	1.7
211.14764	1.4
213.12773	4.6
213.16412	4.3
215.14291	4.6
215.17920	3.0
217.12234	4.6
219.13797	3.5
227.14249	2.5
229.15768	1.7
231.13834	2.9
233.15437	2.1
239.17998	1.5
245.11807	3.6
247.16907	2.5
259.13300	19.1
263.12811	7.5
277.14243	1.9
309.25766	8.0
341.00845	1.4
355.26212	7.9
403.30045	4.1
421.31201	8.6
431.29489	1.5
439.32269	8.6
449.30780	7.9
467.31558	20.9
468.31860	1.9
485.32639	100.0
486.32910	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	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.01859	5.3
55.05504	13.4
57.03450	4.5
67.05508	24.3
69.03424	7.0
69.07068	20.8
70.93544	13.1
71.04987	5.4
71.08620	9.4
72.08967	6.0
73.02921	10.6
73.34634	4.6
79.05486	19.8
79.48331	4.1
79.80692	4.4
81.07052	49.6
83.04989	5.2
83.08628	11.5
85.02901	11.4
85.06553	6.7
91.05479	23.1
93.07053	46.5
95.04996	5.9
95.08601	52.2
97.02894	7.5
97.06532	19.4
99.08096	26.1
100.08418	6.7
105.07037	37.4
107.08585	66.0
109.06521	6.2
109.10146	36.0
117.07030	10.8
119.08585	72.8
121.10146	42.8
123.08073	11.5
123.11715	17.8
125.09732	5.3
129.06985	5.4
131.08534	22.0
133.10139	51.6
135.11717	36.2
142.07877	5.0
143.08540	21.3
144.09322	6.0
145.10121	52.6
147.11653	35.0
149.09674	5.9
149.13287	23.7
151.07568	8.0
152.11275	4.8
155.08566	5.6
156.09372	7.1
157.10167	30.6
159.11714	41.6
161.09612	9.5
161.13281	28.1
163.14835	15.6
169.10155	15.2
170.10909	5.2
171.11630	24.4
172.12125	4.3
173.09689	6.2
173.13261	29.2
173.15306	12.0
174.15695	7.8
175.07561	15.2
175.11179	6.2
175.14816	15.6
177.09158	5.1
177.12717	5.5
177.16376	9.7
179.14293	6.0
181.10110	9.4
183.11739	18.8
185.13203	30.0
187.11203	13.1
187.14902	22.9
189.12770	9.8
189.16412	45.6
191.14362	4.8
191.17990	6.7
195.11705	7.0
197.13274	18.4
199.14822	28.0
201.12706	14.3
201.14742	4.8
201.16373	31.2
203.17999	13.7
207.17435	9.5
209.13324	11.4
211.14882	14.6
213.12680	9.4
213.16420	15.2
215.14304	12.9
215.18016	12.7
217.12271	8.8
221.11752	5.0
223.14868	7.5
225.16415	15.4
227.14346	13.0
231.13867	7.7
239.17928	9.2
255.17317	6.8
255.21155	5.4
267.17474	9.0
347.47437	4.8
361.28708	6.2
379.30237	8.8
395.29517	5.1
403.30060	27.4
405.31631	6.8
421.31012	100.0
423.32843	6.4
431.29880	7.7
439.32178	30.2
449.30618	48.4
467.31628	65.0
485.33060	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	485.1996
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
57.03434	0.5
67.05509	1.0
69.03422	1.3
69.07069	1.6
69.29945	0.4
71.21516	1.0
73.02911	0.7
77.07794	0.4
79.05476	1.0
80.17177	0.4
81.07065	3.0
83.04994	0.6
85.02911	1.7
85.06548	0.5
91.05468	1.2
93.07065	2.7
95.08623	2.4
97.02924	0.6
97.06538	0.7
98.97611	0.8
99.04453	0.4
99.15331	0.5
104.15938	0.4
105.07026	1.5
107.08582	2.5
109.06501	1.1
109.10162	1.8
111.08057	0.5
119.08593	2.3
121.06512	0.5
121.10136	1.6
123.11692	0.6
127.03909	0.6
131.08533	1.0
133.10136	2.0
135.07990	0.6
135.11717	0.8
137.09637	0.8
143.08545	0.5
145.10130	1.4
147.11658	0.7
149.09692	0.4
149.13237	0.7
155.03136	1.0
159.10297	0.5
159.11690	1.0
161.13336	0.9
163.07623	0.5
165.09230	0.6
171.02744	0.6
171.11719	0.6
173.04216	1.0
173.13280	1.0
177.16470	0.5
181.12117	0.7
183.11723	0.6
185.04295	1.2
189.16510	0.6
191.10490	0.8
191.14340	0.5
193.12244	0.9
211.13251	0.6
219.17480	0.5
229.06847	4.0
237.18530	2.5
317.08435	48.6
335.09479	0.7
422.89505	0.5
439.32364	0.6
485.19946	100.0
486.20352	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2363
Annotation	LG-629
Peak:m/z	Relative Intensity
55.05513	0.5
57.07052	0.4
67.05480	0.8
69.03432	0.5
69.07065	0.8
70.82696	1.3
71.04998	0.6
76.12165	0.4
79.05500	0.6
81.07055	1.6
85.02885	0.9
85.85217	0.4
93.07046	1.0
95.08602	1.3
99.08082	0.5
101.00887	1.6
105.07030	1.4
107.08594	0.4
109.10133	0.6
119.01923	3.1
119.08590	1.0
121.10134	0.9
123.11729	0.7
127.00055	0.6
131.01871	0.4
131.08511	0.5
133.10139	1.0
137.02971	0.4
143.01964	1.0
145.10100	0.8
157.03442	0.7
159.11649	0.7
161.02977	1.7
173.02979	0.5
185.02852	0.5
185.97284	0.4
187.00919	1.0
187.14720	0.4
201.16479	0.5
203.03911	0.6
209.13324	0.4
214.77820	0.4
221.05109	1.6
227.05345	0.9
271.04309	1.6
271.72720	0.4
284.43677	0.4
297.19086	1.7
321.19400	0.5
345.45892	0.4
381.21704	0.5
399.22617	3.9
421.31253	0.5
423.23505	0.7
441.24490	11.3
467.22418	0.8
485.23624	100.0
486.24042	2.1
514.65283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Camaranoic acid
Peak:m/z	Relative Intensity
52.32262	0.4
53.03954	0.6
55.05515	1.4
67.05502	1.5
69.03424	0.5
69.07072	1.8
69.53641	3.3
71.04995	1.4
78.71537	0.4
79.05508	2.1
81.07054	6.6
83.08617	1.3
85.06544	0.5
91.05479	4.4
93.07050	6.3
95.08611	6.8
97.06533	1.3
97.10160	0.8
105.07040	5.2
107.08594	8.2
109.06517	1.1
109.10174	3.9
111.08070	0.9
119.08582	6.9
121.10124	3.2
123.08059	0.5
123.11721	1.9
129.06996	2.1
131.08569	14.3
133.10129	5.9
135.08127	1.0
135.11700	6.9
137.09637	0.6
137.13225	0.9
139.11191	0.7
142.07768	0.5
143.08571	5.5
145.06505	0.4
145.10118	5.3
147.08029	1.5
147.11696	4.6
149.13268	1.1
151.11253	0.6
155.08571	0.8
156.09338	2.4
157.06610	0.5
157.10127	5.5
159.08060	39.7
159.11635	2.4
161.09598	1.2
161.13298	1.5
163.14828	1.1
165.12689	0.5
169.10141	1.2
171.11688	11.4
173.09610	5.4
173.13274	3.2
175.07545	4.2
175.11107	2.3
175.14830	0.9
177.87076	0.5
181.10121	1.3
183.11734	1.5
184.08850	0.5
185.09595	0.5
185.13274	1.7
187.11220	0.9
187.14847	1.3
189.09085	0.9
189.12796	2.6
189.16393	6.2
191.17995	1.1
193.08649	1.1
195.11871	0.5
197.13293	1.0
199.11179	29.1
201.12727	3.6
203.07071	1.4
203.17932	1.6
207.17461	6.7
211.14789	0.6
213.12770	2.0
217.12244	33.6
219.11972	0.4
219.13736	2.6
225.16220	0.6
227.10744	0.9
231.13754	6.3
245.11761	5.5
255.84442	0.5
259.13339	1.9
263.12772	16.3
277.14325	10.2
292.31546	0.5
313.86594	0.5
370.56241	0.4
383.29303	1.1
397.27197	1.0
403.30069	0.7
415.28415	5.9
421.30923	1.2
439.32101	14.7
467.31497	2.1
485.32645	100.0
486.33105	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	484.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	37.2
57.07049	53.0
67.05495	45.0
69.07063	41.9
71.08659	41.6
72.04508	44.3
81.07047	73.2
89.06033	61.9
93.07045	69.6
95.08617	93.7
107.08585	87.7
109.10142	57.9
121.10208	47.8
121.62371	29.6
123.11717	29.8
129.00821	29.0
131.08585	30.6
133.08626	34.9
133.10120	45.0
135.11644	28.4
147.11652	39.6
161.13249	29.6
191.17892	41.6
203.17958	34.0
217.19643	31.1
228.23276	33.1
283.26395	49.0
306.37567	33.3
413.37836	35.4
463.70264	27.8
484.35007	100.0
484.47272	90.6
485.32462	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	485.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.9
69.92486	8.3
70.67046	2.0
98.97587	22.0
116.98631	13.2
120.83276	1.7
134.99614	4.3
174.97635	3.9
176.97351	3.4
177.00887	1.9
192.98679	5.5
214.95670	2.8
216.95366	5.5
216.98808	4.4
218.98575	2.3
219.02011	3.8
232.96777	10.5
233.96870	2.3
234.96397	16.8
234.99785	10.7
236.99525	6.1
240.95422	1.9
240.99031	3.4
250.97704	7.5
251.97682	3.0
252.97450	9.7
256.96692	12.5
257.97000	5.6
258.96506	27.1
258.99924	26.0
260.00125	3.1
260.99796	9.0
261.03021	23.7
262.03247	2.5
274.97733	33.9
275.97821	15.6
276.97543	50.0
277.00922	21.0
278.00977	3.4
279.00931	4.7
282.96960	2.4
282.99991	58.5
284.00089	10.1
284.99847	14.6
285.99939	1.8
286.99673	2.6
292.98889	3.0
294.98672	6.4
298.97696	32.6
299.97827	14.1
300.97525	63.6
301.01035	66.6
302.01346	9.8
303.00903	15.1
316.95413	3.9
316.98822	38.9
317.98859	18.5
318.98648	80.4
319.02225	2.7
319.98752	2.6
336.99652	2.2
340.99161	1.9
342.98627	2.5
359.00043	4.4
360.99561	11.7
376.97702	4.9
382.96597	2.1
385.03214	3.5
398.47925	2.1
400.97156	3.6
401.01694	2.8
401.97308	1.8
406.99960	3.1
418.98923	15.5
419.97867	4.9
425.01776	26.7
426.01437	2.8
441.99625	3.4
442.97830	88.1
443.02927	17.0
444.02469	5.4
445.01999	4.4
460.00159	4.1
460.99866	100.0
461.99811	5.0
464.99481	2.1
466.03940	3.8
484.01285	6.2
484.99933	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	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73193	0.4
55.05503	0.4
67.05505	0.5
69.03460	0.5
69.07069	0.8
69.76924	0.4
70.63577	0.9
70.63942	0.8
85.06551	0.9
85.91628	0.4
93.07052	0.8
95.08622	1.6
97.10145	0.5
101.00900	0.5
107.08607	1.3
119.01880	0.5
121.10146	1.3
135.11649	0.4
143.37221	0.5
147.49448	0.4
153.12741	0.6
154.13081	0.7
157.03424	0.4
161.03018	0.5
162.57770	0.4
203.05333	1.3
224.41855	0.4
229.03368	0.5
243.04799	0.4
245.06348	5.7
271.04245	0.8
287.03754	2.4
289.05313	26.5
397.21994	0.6
439.23083	8.3
483.22037	100.0
484.22482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
67.05495	1.3
69.03424	0.6
69.07047	1.0
69.52412	3.8
70.05627	0.4
71.04993	0.5
79.05491	1.3
81.07057	3.3
83.04986	0.6
83.08569	0.5
85.02898	0.9
85.06518	0.7
86.78526	0.4
89.54798	0.4
91.05474	1.0
91.25877	0.5
93.07057	2.1
95.04951	0.7
95.08621	3.0
97.06541	0.5
105.07050	1.4
107.08590	1.7
109.06532	0.8
109.10169	1.7
111.08073	0.9
119.08618	1.4
121.10166	1.9
123.08057	0.7
123.11697	0.8
125.06036	0.5
131.08594	1.0
133.10149	1.3
133.93272	0.5
134.91422	0.5
135.11662	1.0
137.06004	0.5
137.09604	0.9
145.10135	1.1
147.11726	0.5
155.08533	0.7
159.11690	0.8
161.09686	0.7
187.14767	0.5
209.11620	0.8
227.05295	1.3
235.16705	2.5
245.06317	1.6
289.05267	4.7
349.71091	0.4
383.69739	0.5
397.21994	4.7
421.21823	1.7
429.30035	0.9
439.23047	10.6
447.31119	0.6
465.20984	3.6
483.22031	100.0
484.22394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01868	1.9
55.05503	5.2
55.28089	1.1
57.03421	4.7
57.14342	1.0
61.02894	2.1
67.05509	8.2
67.05804	1.6
68.99794	1.3
69.03082	1.4
69.03434	20.5
69.07059	14.1
71.04986	3.0
71.36905	1.8
73.02899	2.0
79.05493	4.9
81.03413	9.3
81.07056	12.8
83.04975	3.2
83.08611	3.1
85.02911	35.9
87.00835	9.4
91.05458	6.3
93.07053	9.6
95.04959	4.3
95.08611	29.5
97.02905	7.4
97.06538	2.7
99.04439	4.5
105.01853	7.9
105.07037	24.8
107.08587	19.4
109.02872	10.2
109.06521	2.8
109.10152	17.8
111.08076	3.6
117.01901	1.3
117.07050	1.8
119.08575	28.7
121.06498	1.6
121.10108	6.9
123.08058	3.2
123.11726	1.5
125.09631	1.9
127.03918	20.1
129.06981	1.9
131.08559	4.2
133.06512	3.6
133.10129	20.1
135.08051	1.8
135.11693	3.2
137.09631	12.2
140.08051	1.3
142.07797	1.4
143.08617	3.0
145.04948	4.9
145.10114	6.0
147.08058	4.4
147.11693	15.6
149.09639	2.6
149.13249	2.1
157.10114	4.7
159.02902	2.4
159.11644	3.7
161.09631	8.2
161.13255	3.7
171.11702	2.2
173.13208	2.4
175.11157	10.5
175.14822	3.0
189.12733	1.7
189.16385	52.8
199.14896	2.2
207.17502	2.2
217.15880	100.0
231.04955	4.1
235.16930	96.1
429.30347	1.7
483.21808	5.8
483.31119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.1
69.03425	9.2
69.07053	3.3
69.66613	8.9
69.67027	5.1
71.05000	14.4
72.30005	2.3
73.02909	7.1
73.06535	4.0
79.05502	4.1
81.07053	17.7
85.02910	15.3
86.46716	2.4
91.05490	2.8
93.07030	13.0
93.56576	3.2
95.08617	2.9
97.02884	13.3
98.20812	4.0
107.08614	12.6
109.10156	3.0
115.03984	5.6
127.03895	7.0
133.04961	6.5
135.11673	21.0
139.61353	2.3
145.04953	6.9
153.12758	100.0
163.06071	4.0
200.36209	2.7
228.79471	2.5
483.18387	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95485	3.5
54.30703	3.6
55.05507	17.3
57.07068	5.4
62.11196	3.3
67.05508	34.2
69.07066	30.4
69.36973	26.0
69.39546	3.6
71.04992	4.0
79.05500	17.6
81.07063	62.6
83.08633	19.5
84.34573	4.3
90.12236	3.4
91.05489	27.0
93.07043	45.3
95.04989	7.3
95.08613	100.0
97.10167	9.2
105.07034	56.7
107.08603	64.3
109.10156	39.9
111.08095	6.3
111.11767	5.7
117.07037	11.1
119.08588	96.9
119.09449	4.9
121.06515	5.3
121.10145	57.0
123.11689	14.5
125.09632	3.4
129.06976	6.1
131.08568	35.6
133.10132	64.9
135.08051	7.3
135.11697	32.9
137.13206	3.8
142.20853	3.6
143.08556	11.0
145.10115	48.8
147.08081	6.5
147.11694	52.1
149.12196	4.2
149.13248	25.7
153.09134	7.9
157.10133	21.1
159.11696	48.9
161.09612	8.2
161.13277	55.7
163.07503	7.8
163.14815	19.5
168.46902	3.6
169.10098	8.5
171.11723	17.3
173.09621	6.3
173.13290	55.3
175.11246	3.9
175.14833	74.8
177.09120	4.5
177.16403	36.0
179.45076	4.5
183.11705	6.3
183.75023	4.1
185.13263	16.2
187.14798	59.5
189.12817	4.8
189.16373	74.8
191.17986	15.7
197.13251	5.1
199.14816	21.6
201.12775	6.0
201.16418	38.3
203.14409	9.0
203.17998	39.0
205.19554	5.9
207.13730	4.6
207.17293	7.9
208.31357	3.8
213.16374	11.1
215.14279	7.2
215.17990	7.7
217.15855	7.4
219.13879	4.0
229.15819	6.2
229.19400	5.0
231.13783	6.7
231.17404	5.1
233.15349	13.6
235.16946	22.9
239.17949	5.9
245.15317	5.1
247.16982	12.6
249.18466	9.3
255.17371	4.2
259.17102	9.0
261.18387	6.4
311.26089	4.5
335.27267	5.8
341.24945	8.2
374.83313	4.4
377.32028	10.4
395.29248	5.3
405.31873	20.1
419.29465	4.5
423.32751	32.0
437.34451	64.7
465.29599	11.1
465.34692	5.6
483.29025	29.1
483.34647	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	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73193	0.4
55.05503	0.4
67.05505	0.5
69.03460	0.5
69.07069	0.8
69.76924	0.4
70.63577	0.9
70.63942	0.8
85.06551	0.9
85.91628	0.4
93.07052	0.8
95.08622	1.6
97.10145	0.5
101.00900	0.5
107.08607	1.3
119.01880	0.5
121.10146	1.3
135.11649	0.4
143.37221	0.5
147.49448	0.4
153.12741	0.6
154.13081	0.7
157.03424	0.4
161.03018	0.5
162.57770	0.4
203.05333	1.3
224.41855	0.4
229.03368	0.5
243.04799	0.4
245.06348	5.7
271.04245	0.8
287.03754	2.4
289.05313	26.5
397.21994	0.6
439.23083	8.3
483.22037	100.0
484.22482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.5
55.05510	4.0
57.03421	13.6
59.04998	3.5
61.02923	6.9
67.05487	4.1
67.89198	3.3
69.03438	27.1
69.07068	12.6
70.91405	2.8
70.92708	8.4
71.04994	19.6
73.02925	37.8
79.05502	7.8
81.03422	7.8
81.07063	19.2
83.08590	3.6
83.24871	2.8
85.02907	69.9
87.04449	3.4
91.05483	4.5
93.07053	25.1
95.08614	5.2
97.02905	41.5
99.04444	3.8
105.07005	3.9
107.08614	24.0
109.02886	6.6
109.06512	3.9
109.10149	6.7
115.03949	12.7
119.08588	10.8
125.13255	3.3
127.03922	21.5
133.04968	18.9
135.11713	27.2
145.05016	20.4
147.11725	6.0
153.12752	100.0
159.11903	3.3
163.06039	12.4
165.12794	9.0
177.12733	3.9
190.67079	4.2
207.13680	3.9
223.06097	6.2
241.07133	4.8
259.08188	4.7
260.46872	3.6
261.14816	5.0
285.16965	4.7
295.10431	3.3
297.17014	9.1
315.18045	18.3
333.19104	6.8
333.45035	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	482.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09851	4.5
50.66207	4.7
55.05512	5.8
57.07069	22.8
64.58226	5.2
69.07063	21.1
69.64357	11.0
69.64772	23.1
71.08620	15.1
80.36076	6.1
81.07048	17.5
83.08611	10.1
85.10176	8.8
89.06037	100.0
90.95537	5.7
97.10172	11.2
98.21377	10.3
105.06977	6.2
107.86341	5.0
113.06062	5.4
133.08620	51.2
135.04492	6.3
137.05980	60.9
151.03889	17.8
161.13141	6.4
169.04913	5.0
175.79993	5.0
177.11276	28.6
193.12273	9.5
277.21762	6.6
283.17529	58.8
369.13165	5.2
403.35999	5.8
428.18478	6.3
447.34439	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	482.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70558	0.9
56.96573	1.6
63.11068	0.8
89.92781	1.0
93.34936	0.8
98.11114	0.8
98.97574	7.1
116.98638	4.9
132.96645	1.1
134.99687	1.9
163.40251	0.9
174.97665	6.3
192.98726	3.8
208.96823	1.1
214.46364	1.1
214.95711	6.5
216.98737	4.7
232.96724	17.9
234.99820	7.4
238.95667	1.2
240.98837	1.5
250.97804	9.6
256.96707	35.0
257.96881	1.0
259.00000	7.8
260.99924	1.6
273.99475	1.0
274.97769	61.4
275.97858	1.4
277.00937	7.2
280.96863	2.9
282.99994	12.7
284.00073	1.5
284.99838	2.7
292.98837	8.8
297.99274	1.6
298.97763	77.6
299.97827	2.2
301.01056	13.9
302.01303	1.3
303.00967	3.1
316.98822	100.0
317.98990	4.1
334.99976	2.5
340.00290	2.6
340.99020	2.9
356.97180	1.9
359.00034	9.0
374.97855	2.7
398.98016	4.6
401.01352	2.6
416.98935	12.6
422.97806	7.6
425.01254	1.9
440.98947	87.6
441.99146	3.4
443.02051	1.5
458.99933	81.1
459.25214	1.2
460.00171	4.9
460.25406	1.1
482.01614	4.0
483.00580	6.9
499.81766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38174	1.3
53.03957	1.9
55.01876	2.2
55.05507	3.0
57.03434	5.2
58.57036	1.2
59.69007	1.1
61.02915	1.6
67.05507	6.5
69.03417	3.3
69.07071	25.4
71.04959	3.3
71.61181	1.1
73.02945	1.3
79.05495	11.9
81.07067	8.2
83.04981	2.6
85.02899	4.4
85.06528	2.8
89.03916	3.4
91.05452	3.4
93.07034	5.5
95.04967	3.3
95.08622	6.7
97.02914	2.1
97.06536	85.3
97.10151	1.3
98.20856	1.2
98.97585	3.1
105.07027	5.2
107.05032	1.8
107.08597	5.1
109.06446	1.5
109.10156	6.2
111.08090	5.2
115.05449	1.3
116.98564	1.3
117.03385	4.4
117.06964	1.8
119.08593	6.6
121.06509	1.3
121.10142	4.2
123.11758	1.9
129.09129	2.5
131.08537	3.0
133.02861	4.3
133.10147	6.3
135.04449	6.3
135.08076	2.2
135.11696	2.4
137.06007	1.9
142.07722	1.8
145.02856	5.0
145.10114	4.7
147.04411	2.2
147.11685	3.4
157.06471	1.2
157.10126	3.6
159.04416	9.4
159.08084	1.9
159.11691	4.9
161.01089	2.4
161.02353	33.1
161.13297	2.4
163.03906	59.5
171.11687	2.9
173.02356	58.8
173.13303	3.6
175.07555	1.3
175.14844	2.1
177.16402	1.5
181.10222	1.6
185.05992	4.0
187.07503	2.8
187.14900	2.0
189.16357	1.7
191.03355	10.0
197.05997	1.4
197.13284	2.0
199.14847	2.9
203.14290	1.2
209.13443	1.6
215.07031	96.7
217.15924	2.4
223.07600	1.2
223.14899	1.2
225.16359	1.5
233.08011	3.3
241.08609	17.5
259.09674	27.7
271.04214	2.8
272.10950	1.6
273.11270	15.4
291.12283	100.0
292.12656	1.5
295.17471	2.6
313.18552	1.3
337.18637	1.7
397.21396	4.9
437.30423	2.9
439.22928	15.4
465.29950	2.6
483.22009	80.1
483.30859	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	481.3523
Annotation	SCHEMBL10014310
Peak:m/z	Relative Intensity
51.07423	1.2
51.19517	1.3
53.03946	2.6
54.46109	1.3
54.95126	1.4
55.01850	4.6
55.05499	3.0
56.20802	1.1
56.44913	1.4
57.07076	14.3
60.01284	1.2
67.05492	3.8
69.07072	3.5
70.23584	2.5
70.23951	5.7
71.08624	11.3
81.03400	5.5
81.07042	3.9
83.01337	2.8
83.08617	2.5
85.10184	7.2
89.06020	2.7
93.07059	1.6
95.08595	2.8
97.10138	2.1
99.00835	1.7
99.04436	6.1
99.82706	1.5
109.02855	5.3
109.10149	3.0
115.03929	2.7
127.03915	100.0
137.02299	4.6
141.05467	15.2
142.25661	1.4
151.03896	5.8
151.07559	1.7
153.05460	2.5
155.03391	12.8
155.06993	3.9
157.04944	1.8
165.09116	1.5
169.04956	41.6
169.08574	4.3
172.99397	1.7
183.06534	3.5
183.10139	2.8
197.08044	2.5
203.05412	2.0
210.07587	1.6
211.09685	3.0
215.05498	14.7
225.11182	4.5
229.07002	1.9
239.12706	3.3
243.08470	3.3
253.14455	1.9
257.10190	5.0
268.85388	1.5
271.11697	6.5
285.13303	3.8
299.14853	3.9
313.16422	3.8
327.17969	4.0
341.19574	4.2
354.87720	1.4
355.21255	4.6
369.22745	5.3
383.24191	3.5
389.82364	1.6
397.25870	5.2
411.27530	2.5
421.33084	2.3
425.28784	4.3
435.34503	2.2
481.35480	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35635	1.0
53.03949	4.8
55.01875	7.8
55.05508	5.7
57.03441	12.1
59.04988	1.4
61.02925	8.8
65.03941	1.5
67.05502	5.9
69.03064	1.6
69.03429	25.6
69.07053	4.0
69.37067	2.2
69.37471	7.1
71.01337	3.0
71.04989	3.1
73.02917	49.6
75.80161	0.9
79.05492	13.6
81.03423	5.7
81.07066	10.3
83.04980	2.3
83.08601	1.0
85.02906	57.6
87.04470	4.7
91.03957	1.6
91.05483	18.9
93.07045	80.3
94.07345	1.1
95.04988	5.6
95.08603	12.9
96.04470	0.9
97.02890	45.5
97.06541	5.4
98.97584	2.0
99.04446	3.5
103.03920	1.6
105.04523	1.4
105.07021	9.5
107.08595	100.0
109.02893	5.9
109.06531	3.2
109.10164	8.0
111.04459	0.9
115.03928	21.3
117.07013	1.2
119.06102	1.4
119.08575	4.0
121.10166	4.5
123.11668	1.8
127.03911	18.8
131.08604	1.7
133.04962	22.3
133.10123	2.6
135.11694	80.1
137.13237	1.8
145.03889	1.7
145.04967	22.5
145.10158	2.3
147.11661	3.4
150.07658	1.4
150.36110	1.1
153.12761	13.5
157.10126	1.0
163.06021	7.7
163.11124	1.3
165.09171	0.9
165.12770	1.9
169.22621	0.8
171.13794	3.2
177.12740	1.5
189.12740	1.5
193.04861	1.6
199.06039	1.3
217.07080	1.1
219.13840	1.3
223.05962	4.3
241.06927	4.8
245.62906	0.9
249.14938	2.0
250.48996	1.1
259.08096	6.3
267.15942	4.4
267.99695	1.0
277.09207	1.7
281.11490	1.5
295.10229	3.4
297.17050	1.6
434.28665	1.0
437.92737	0.9
452.78430	0.9
482.17795	1.1
483.18030	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	481.3293
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
50.12548	0.4
55.05505	0.8
56.96560	0.6
59.04998	0.7
67.05497	1.1
69.07059	1.4
69.31875	3.7
72.40582	0.5
72.71905	0.4
79.05482	0.8
81.07053	1.2
83.08645	0.5
91.05480	0.7
93.07067	1.5
95.08622	1.7
105.07025	1.2
107.08606	1.8
109.10162	1.1
119.08604	1.4
121.10147	1.5
123.08079	0.6
125.42325	0.4
131.08566	0.7
133.10118	0.9
135.11688	0.9
143.08559	0.5
145.10110	1.1
147.11726	0.5
149.13364	0.6
157.10080	0.7
159.11714	0.6
161.13309	0.4
169.10100	0.5
173.13222	0.5
175.14679	0.5
178.39346	0.5
189.16470	0.4
191.18010	0.5
213.16498	0.5
229.07555	1.0
241.35585	0.4
243.10533	0.4
417.28088	0.4
463.32181	4.0
481.32990	100.0
482.33408	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.05501	35.9
57.07079	10.4
58.81401	8.2
67.05496	25.7
69.03422	21.0
69.07060	36.1
69.55885	33.3
69.56313	29.4
71.05000	11.4
79.05489	13.1
81.07059	100.0
83.04959	15.2
83.08577	10.3
85.02887	37.0
85.06520	18.1
91.05470	24.0
93.07068	41.5
95.04971	11.1
95.08600	80.2
97.02882	14.4
97.06515	19.7
97.10127	10.8
105.07015	22.6
107.08580	34.0
109.06496	14.3
109.10139	59.7
119.04906	9.6
119.08583	18.6
121.06519	10.9
121.10120	28.7
123.11685	34.9
127.03961	15.5
131.08571	11.7
133.10165	19.8
135.08125	8.5
135.11676	22.3
137.05962	32.5
137.09573	14.1
137.13231	29.8
143.08540	10.2
145.10120	29.1
147.11659	14.2
149.09563	11.6
149.13318	11.9
151.07498	14.0
153.12732	14.5
161.09610	8.6
162.14194	9.4
163.11151	21.2
167.07030	37.9
176.03426	7.8
187.65402	8.9
189.41733	12.3
191.17833	10.6
232.91594	8.8
247.24098	13.9
265.25195	24.1
283.26202	16.1
328.42874	10.1
481.19504	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.14686	0.5
57.05126	0.5
60.46237	0.5
65.03903	0.7
67.05494	2.4
67.25918	0.5
69.07058	1.8
69.50021	4.5
69.99020	0.6
73.02908	0.6
79.05489	1.2
80.73218	0.6
81.07067	3.7
85.02909	1.0
85.06539	1.3
86.21259	0.6
91.05487	1.0
93.07051	1.6
95.08627	5.0
97.02887	0.8
97.06497	0.8
105.07007	1.9
107.08586	1.7
109.06521	1.1
109.10136	3.1
119.08682	0.7
121.10173	1.5
123.08036	1.0
123.11720	1.5
123.69263	0.6
131.08569	1.1
133.10132	1.1
135.11694	0.9
137.05942	1.1
137.13206	0.9
141.05254	0.7
145.10141	0.9
153.01790	0.7
155.03096	1.6
159.11617	0.8
169.15825	0.7
169.95721	0.6
173.04169	0.9
186.06525	2.6
196.45465	0.7
215.05231	2.0
217.15921	0.6
229.06851	1.0
247.24240	1.1
284.15494	0.7
301.08987	1.0
317.08536	5.5
319.07178	0.9
349.12396	1.8
437.20459	2.4
481.16742	100.0
482.17221	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	481.1693
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
56.96564	1.2
57.03437	1.0
61.02924	1.0
65.16379	0.7
67.05499	1.5
68.12904	0.7
69.03425	1.6
69.98134	2.8
71.05010	1.4
73.02904	2.2
79.05483	1.4
81.03414	1.1
81.07054	2.5
85.02914	3.6
85.06550	0.7
85.40430	0.7
91.05468	1.7
92.50688	1.1
93.07013	1.9
94.04185	0.7
95.04938	0.9
95.08596	1.8
97.02908	2.1
97.06547	1.8
98.97589	4.1
102.00497	0.7
105.07027	0.9
107.08581	0.9
109.02901	1.3
109.06527	0.9
109.10073	1.0
110.97559	1.2
115.03991	1.1
116.98652	1.4
119.04929	1.2
119.08570	1.0
122.03664	1.1
123.04466	1.1
123.11710	1.9
124.12056	1.0
127.03905	1.3
131.04965	0.9
133.04938	1.2
133.10077	1.4
137.05980	15.0
141.05502	1.2
143.00214	1.0
145.04990	0.8
147.04440	4.9
151.07625	0.7
151.11179	2.5
152.11496	1.7
153.05472	23.4
157.04720	1.6
158.99667	1.0
163.03961	1.6
167.06999	3.5
169.04855	1.0
169.12268	5.7
170.12622	2.4
171.09193	1.1
175.14880	1.1
177.00671	0.7
179.07047	2.4
202.06035	2.4
219.01768	1.8
232.07039	1.1
237.02829	2.6
259.14771	0.7
261.09824	1.0
265.08536	0.7
270.41138	0.8
287.13968	4.5
289.09656	1.1
301.08951	1.8
304.16919	0.8
307.10568	4.0
319.11932	2.9
319.16583	9.5
319.19360	0.9
354.36215	0.8
365.12088	1.8
421.13794	3.1
481.16843	100.0
482.17349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
50.07927	0.6
53.28927	0.6
55.05513	1.6
55.11338	0.6
67.05502	2.4
69.03419	1.1
69.07056	1.4
71.15643	1.3
78.99760	0.5
79.05466	1.2
81.07059	4.3
82.97443	0.7
83.04913	0.7
85.02914	0.6
85.06539	0.9
91.05458	0.8
93.07064	3.0
95.04979	0.8
95.08617	4.2
97.06549	0.7
97.10141	0.7
105.07045	1.7
105.74490	0.6
107.08594	1.9
109.10165	2.6
117.07027	0.6
119.08591	1.9
121.06464	0.6
121.10152	1.6
123.11738	0.9
125.06049	0.6
131.08553	0.6
137.05975	1.8
137.09712	0.6
145.10048	1.0
151.07550	0.8
153.05501	0.9
159.11690	0.8
161.13229	0.6
163.03911	1.9
227.05202	0.6
233.15208	1.6
271.04288	1.3
274.84030	0.7
282.85660	0.6
283.26306	1.1
285.17236	0.7
290.20145	0.6
293.16116	0.6
377.19235	1.1
395.20425	5.4
413.20258	0.9
419.20322	1.2
437.21497	21.6
445.28824	0.7
481.20444	100.0
482.20917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.4
57.03426	0.9
62.15136	0.5
69.03398	1.3
71.04978	1.4
71.61259	0.6
73.02906	3.2
81.03394	0.7
81.07051	2.2
85.02908	3.0
91.05465	0.8
93.07016	0.7
95.04951	0.5
97.02866	2.1
98.25764	0.6
98.97569	3.8
107.08585	1.5
109.06463	0.7
109.10168	0.7
110.97549	0.7
111.52628	0.6
115.03905	0.7
116.98634	1.4
120.08054	0.7
122.55772	0.5
123.11655	1.5
126.36419	0.6
127.03969	1.0
131.04932	0.9
133.10103	0.6
137.05949	1.4
145.05009	0.7
147.04381	1.2
151.11157	1.6
153.05458	2.0
157.12238	0.7
158.99579	1.1
161.01196	0.7
166.44054	0.6
169.03468	0.5
169.12242	3.8
177.00700	1.3
179.06964	0.5
187.13286	2.0
189.05440	1.1
198.31067	0.6
203.07562	1.3
219.01744	0.8
237.02750	1.3
265.05475	1.0
266.34799	0.7
269.09683	3.2
277.05383	0.7
293.09021	1.7
317.08310	2.7
319.12894	0.8
349.08591	1.4
374.13687	0.6
391.08560	1.2
439.14642	0.8
463.17160	0.9
481.13110	100.0
482.13315	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	481.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30027	0.3
51.45534	0.4
55.05484	0.6
55.23154	0.4
67.05492	0.5
69.03433	0.6
69.07058	0.8
70.28342	0.5
70.41225	0.8
79.05489	0.5
81.07049	1.0
83.01070	0.4
83.04955	0.4
85.02876	0.7
91.05441	0.6
93.07022	0.8
95.04920	0.4
95.08604	1.1
105.07019	0.5
107.08629	0.7
109.10144	0.9
119.08582	0.6
121.10136	0.7
123.04417	0.4
123.11740	0.6
127.03715	0.5
137.05948	0.8
145.10072	0.8
155.03156	1.2
164.64926	0.4
169.04747	1.2
171.02684	0.8
171.04100	0.6
173.04219	0.9
179.03218	0.5
185.04337	0.5
186.06485	2.5
215.05286	1.2
229.06839	1.2
229.34998	0.5
257.06198	0.5
275.07413	0.6
279.03824	0.4
301.08847	1.1
317.08377	3.9
349.12582	2.1
481.16809	100.0
482.17130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1683
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
51.16808	0.4
55.05500	0.6
57.56218	0.4
62.09810	0.5
64.12383	0.4
67.05487	1.2
69.03429	1.0
69.07079	1.1
71.41175	0.6
71.41525	0.6
73.02911	0.6
75.50398	0.4
75.64162	0.4
79.05486	1.0
81.03417	0.5
81.07066	2.6
83.08633	0.5
85.02891	1.2
85.06519	1.0
91.05467	0.6
93.07019	0.8
95.08598	3.2
105.07037	0.7
106.54930	0.5
107.08585	1.0
109.10155	1.5
115.64128	0.5
117.07006	0.5
119.08580	1.0
121.10117	0.8
123.08044	0.6
123.11663	0.7
125.05959	0.6
127.03701	0.6
128.90849	0.5
133.10144	0.8
135.08052	0.5
135.11687	0.7
137.05966	1.3
137.09642	0.5
145.10120	0.6
155.03091	0.9
169.03461	0.4
169.04756	1.4
173.04236	1.2
185.04266	0.6
186.06496	3.1
213.89839	0.5
215.05310	1.1
229.06783	1.5
249.07042	0.6
255.09384	0.5
275.07346	0.8
301.09082	1.0
317.08557	4.1
319.07108	0.6
349.12643	2.1
393.77765	0.4
432.47000	0.5
450.15125	0.6
481.16797	100.0
482.17236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.03430	6.7
57.07069	3.1
57.51455	1.1
61.02915	2.1
66.02213	1.1
67.05494	4.4
69.03429	6.4
69.07072	8.1
69.42451	2.9
69.42851	6.4
71.04995	42.4
73.02925	8.7
75.04471	4.0
76.56057	1.2
79.05479	7.5
81.07056	100.0
83.04981	6.8
85.02908	70.6
87.04488	1.2
87.70810	1.2
93.07047	2.1
95.08611	24.5
97.02898	7.6
99.04438	1.1
105.07033	1.5
107.08604	1.6
109.10160	2.5
111.04446	4.2
115.03923	4.0
123.11700	5.3
127.03915	4.9
129.05476	28.3
135.11816	1.1
137.13255	22.0
145.04959	4.3
147.06514	17.1
151.11197	5.8
164.09190	4.4
273.09665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01872	8.6
55.05504	7.0
57.03434	4.8
57.07066	5.8
61.02916	7.2
67.05505	14.4
68.99792	3.7
69.03072	1.9
69.03432	33.9
69.07059	5.4
69.45441	12.6
71.04990	5.7
73.02899	3.6
79.05488	2.2
81.03430	20.2
81.07059	28.2
83.08615	7.6
83.16518	1.5
85.02908	100.0
87.00835	43.8
95.08610	38.2
96.36627	1.8
97.02900	29.3
97.10186	8.8
99.04457	14.5
105.01871	81.1
109.02881	29.7
109.09441	2.8
109.10158	40.5
113.57350	1.7
115.11224	2.2
117.01867	1.5
121.10101	2.4
122.68729	1.8
123.11707	46.0
127.03921	72.7
129.01819	2.6
133.11588	1.9
137.13266	12.4
145.04961	34.2
159.02902	8.8
177.16344	4.5
179.17964	45.4
186.91547	1.8
197.19026	29.6
213.03922	5.6
231.04990	31.7
249.06104	12.4
287.19977	2.1
436.20212	5.2
480.19263	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	481.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78569	0.8
51.42104	0.7
55.01854	0.8
57.03424	1.0
61.02930	0.8
67.38383	0.7
69.03416	2.2
69.03790	0.7
70.92767	1.1
70.93098	1.2
73.02905	1.2
77.09585	0.6
79.85838	0.7
85.02900	5.7
94.51053	0.6
97.02891	1.8
98.97566	1.4
101.00900	0.9
119.01904	1.4
120.95396	1.3
127.03918	2.1
131.00145	0.7
131.01926	1.1
138.96376	0.9
143.01915	2.9
145.04982	0.8
154.94197	1.3
155.01877	2.3
156.97459	7.3
161.02924	1.6
161.05531	0.8
163.03862	0.9
163.96161	0.7
172.95201	0.9
173.02972	1.4
174.98558	5.2
180.97464	16.9
185.02953	0.9
187.04593	0.7
190.67850	0.7
191.03864	0.9
198.98544	100.0
199.98683	1.1
203.04002	2.4
206.29823	0.7
210.98553	4.9
213.00052	1.0
216.97417	1.0
216.99594	19.5
219.01697	0.8
221.05020	1.6
222.00079	1.4
228.99597	8.8
234.98355	1.2
240.99603	13.6
245.05168	2.7
247.00677	1.9
252.99596	1.3
256.80927	0.7
259.00702	5.7
263.05972	1.4
271.00671	1.1
273.08197	1.4
275.06067	0.9
286.92197	0.8
289.07727	1.1
301.01700	45.6
302.02197	0.8
316.99380	0.7
319.02737	9.5
325.57919	0.7
344.81418	0.7
450.05414	0.7
481.05734	1.4
481.13199	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	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00260	3.1
53.03962	4.4
56.96558	4.1
57.03434	25.4
59.04992	5.0
59.27559	2.9
68.99445	3.6
69.03427	79.3
69.32535	3.0
71.60839	4.4
73.02897	4.5
75.04452	2.8
81.03403	5.3
82.24942	2.6
85.02901	71.6
87.04463	54.5
91.05464	21.1
97.02882	56.2
98.97571	7.9
103.05410	3.7
109.02842	3.3
115.03928	74.3
115.05328	3.1
119.04957	20.5
121.06461	3.1
127.03896	13.6
133.04964	73.2
133.06467	3.6
145.04939	10.4
147.04399	11.1
150.07619	10.2
151.07544	100.0
157.38043	3.3
163.03894	8.5
163.07497	3.4
165.09068	17.1
167.07158	3.9
169.08585	12.5
173.18672	3.2
175.07556	4.9
179.07051	14.7
179.66383	3.6
181.08571	4.3
193.08640	33.3
211.09662	7.8
217.08760	5.4
219.10051	5.3
224.36415	3.0
235.09665	14.1
247.09630	18.0
265.10724	12.9
480.21194	13.6
481.13071	12.6
494.43674	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44397	2.1
53.03938	2.9
55.01870	17.4
57.03439	27.5
57.07067	2.8
59.04991	2.8
61.02924	19.3
61.64658	1.8
67.05492	5.8
67.38843	1.7
69.03069	3.7
69.03430	54.1
69.07068	70.3
71.01340	7.6
71.04974	3.3
71.17895	4.2
73.02916	97.8
79.05510	3.0
80.59408	2.1
81.03418	9.4
81.07057	22.2
85.02905	100.0
87.04458	6.2
91.03978	2.7
91.05470	2.7
93.07012	2.3
95.04958	2.1
95.08604	7.6
97.02895	83.9
99.04457	5.4
103.03946	5.1
105.07027	3.2
109.02896	8.7
109.06521	3.6
109.10152	9.7
115.03930	45.8
123.11710	81.5
124.12022	2.2
127.03917	35.5
133.04961	52.7
133.10097	2.4
144.06587	2.8
145.04950	45.1
151.11177	70.7
162.07622	2.2
163.06018	13.4
169.12247	8.7
180.08720	2.7
193.04993	2.2
199.05943	3.5
199.07759	1.8
223.06012	6.9
225.16895	1.7
241.07007	9.2
259.08154	7.1
265.14310	2.0
283.15372	27.2
313.16223	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49358	4.0
51.17822	3.9
55.01878	4.6
55.05507	4.5
56.09745	4.1
57.03441	28.6
59.04994	4.8
59.77873	4.3
61.02925	5.6
67.05492	13.3
69.03429	84.3
69.06706	6.3
69.07067	73.3
70.14805	4.6
71.04984	22.8
71.61325	8.7
73.02911	14.2
79.05480	12.4
81.03391	8.4
81.07069	29.9
83.04977	11.6
85.02912	96.5
85.06538	6.3
87.04474	47.2
91.05462	9.2
93.07055	14.6
95.08631	22.6
97.02888	81.8
105.07015	5.8
107.08582	7.1
108.19245	4.4
109.06543	6.3
109.10135	12.7
111.04429	8.8
115.03152	5.8
115.03935	100.0
119.08540	6.2
121.10192	5.0
123.08084	6.1
123.11713	65.2
127.03906	13.2
129.05540	8.2
133.04964	89.8
135.08066	6.5
137.05933	9.3
145.04973	14.3
147.06523	9.7
149.83896	4.5
151.07555	5.5
151.11182	68.4
155.94534	4.6
169.12213	5.2
247.13339	10.0
261.20947	4.5
265.14297	5.0
283.15387	8.6
300.01428	4.6
313.16272	9.1
316.07568	5.0
365.16721	5.2
389.33841	5.4
396.10300	5.0
481.20343	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.0
55.05507	29.1
57.07077	30.7
57.72025	3.0
59.61009	3.2
60.50290	3.0
67.05503	30.1
69.07069	56.1
70.52638	4.6
70.52985	10.7
71.04996	23.4
71.08630	15.9
77.96670	3.1
79.05475	12.6
81.07063	80.1
83.08614	40.7
85.06522	3.6
85.10163	8.9
91.05450	5.9
93.07046	8.7
95.08047	4.3
95.08606	61.2
97.10166	34.0
99.04420	10.4
105.07024	5.7
107.08583	8.2
109.06483	13.0
109.10151	38.3
111.04448	5.3
111.08019	3.9
111.11730	22.9
113.05966	8.1
118.23165	3.0
121.10126	9.1
123.11706	30.9
125.05995	81.3
125.13251	10.7
127.03918	36.0
135.11665	9.4
137.05975	100.0
137.07037	4.7
137.13255	12.3
139.07579	4.0
139.14792	4.0
145.10114	5.2
147.11646	6.6
149.13298	5.9
151.14815	6.6
156.09413	3.8
157.10089	5.7
159.07967	3.5
159.11728	5.7
161.09637	4.6
161.13222	6.1
163.14735	6.2
165.16357	3.3
167.07036	54.8
171.11691	6.2
175.11166	7.0
185.13219	5.0
189.12668	5.7
198.10397	5.6
207.13869	3.5
213.12718	10.0
219.13766	6.1
253.16017	4.1
277.38846	3.3
300.20181	3.8
314.96176	3.9
317.31827	5.5
335.32928	8.2
383.32898	4.2
397.34692	4.5
425.34131	6.6
443.35077	6.8
461.36249	7.2
479.34717	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05516	5.3
57.07074	4.4
67.05511	3.3
68.59103	0.7
69.07071	6.6
69.47195	3.7
69.47601	1.6
71.05002	1.7
71.08627	2.1
79.05506	2.5
81.07064	11.9
83.05009	1.0
83.08620	5.2
89.06059	1.9
91.05481	1.3
93.07063	3.0
95.05023	0.9
95.08620	8.7
97.06509	1.0
97.10173	5.0
105.07063	2.3
107.04974	0.9
107.08627	2.2
109.06551	2.4
109.10154	5.9
111.04470	1.0
111.11760	1.9
119.08623	1.4
121.06537	1.3
121.10181	2.3
123.08121	1.0
123.11730	3.6
125.06016	8.0
125.13353	1.0
127.03981	2.8
133.06595	1.0
133.08649	1.1
133.10216	0.9
135.08105	2.3
135.11714	1.7
136.08392	1.0
137.05975	9.6
137.13240	1.2
139.07602	2.2
145.10141	1.4
147.11800	0.8
149.09700	1.0
149.13252	1.2
151.07620	1.6
151.14880	1.6
159.11694	1.3
161.13350	1.4
167.07037	4.9
171.11740	1.3
177.09169	2.4
187.11230	1.0
203.14381	1.0
205.12561	0.7
213.12894	1.0
317.32224	0.9
410.04245	0.9
425.34756	1.1
461.36319	3.0
479.35251	100.0
480.35532	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93285	0.9
55.01869	2.5
55.05516	4.3
57.07076	7.9
67.05504	4.3
69.07075	4.5
71.08641	5.9
71.62220	1.6
79.05516	1.4
81.03419	1.0
81.07058	7.4
83.08624	3.9
85.10181	1.3
91.05478	1.8
93.07050	3.4
95.04967	2.3
95.08604	6.2
97.02884	4.0
97.10181	2.5
99.00824	5.0
105.07039	2.3
107.08619	2.2
108.41655	0.9
109.02865	1.2
109.06532	1.7
109.10150	3.0
111.11739	1.3
115.03928	3.2
119.08624	1.2
121.06485	3.4
121.10168	2.5
123.04446	1.0
123.08027	1.5
123.11695	2.1
125.02352	1.2
125.06016	1.5
127.03898	2.8
133.10071	0.9
135.08022	1.0
137.13194	1.0
139.07573	2.6
144.24828	0.9
145.10130	1.2
149.05991	1.3
151.07549	1.6
153.01834	11.1
155.07010	1.1
163.07599	1.0
167.03418	1.3
167.07048	2.7
169.04883	1.0
171.02866	1.3
173.13264	1.0
177.05458	1.4
177.16542	0.9
183.02974	1.9
213.04015	2.7
227.05623	1.4
241.07166	1.5
255.08669	1.4
269.10239	2.2
297.13434	2.2
310.72055	1.0
311.14920	1.9
325.16470	2.0
335.19415	1.0
339.18030	1.8
353.19623	1.0
367.21005	1.5
381.22678	1.9
395.24255	1.2
423.27158	1.4
433.36850	1.5
435.32397	17.0
461.33908	4.4
461.40591	2.0
479.34952	100.0
480.35489	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.05497	13.5
56.96569	4.0
57.07063	10.1
60.06029	4.3
62.67934	3.7
63.09567	3.9
67.05516	24.2
69.07050	12.5
69.94104	5.3
69.94511	17.6
79.05489	13.3
81.07059	33.4
83.04959	4.1
83.08610	14.1
85.02873	6.6
91.05494	12.3
93.07046	13.0
95.04940	6.2
95.08592	23.9
105.07027	12.8
107.08596	14.1
109.10168	13.2
119.08585	13.8
121.10129	7.6
127.03841	4.3
131.08562	9.9
133.10150	10.7
133.43472	3.7
135.11678	4.3
137.06004	6.5
145.10136	7.1
147.11682	4.3
149.13284	6.1
151.07571	4.2
157.10129	4.4
161.13303	4.2
165.09125	38.6
173.13275	5.3
177.09058	4.7
179.07040	7.8
193.12140	4.3
203.10895	4.0
205.12132	4.6
209.61270	4.4
333.20300	4.7
339.28799	6.0
443.34811	4.4
461.36340	9.7
479.30890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3367
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.04060	0.9
55.05356	4.6
55.05666	4.7
57.06954	1.6
57.07195	1.3
60.41834	0.7
67.05331	5.0
67.05743	2.9
69.06897	7.9
69.07321	3.9
71.08501	0.8
71.12766	1.5
79.05309	2.7
79.05812	1.6
79.76752	1.0
81.06867	12.8
81.07404	4.7
83.08434	2.7
83.08971	1.2
85.06394	1.2
91.05336	0.9
93.06872	1.1
95.08395	11.6
95.09079	2.9
97.10011	1.7
99.00599	6.2
99.01307	1.4
99.04257	1.7
105.06891	1.6
107.04790	0.9
107.08395	1.2
109.02732	0.8
109.09934	5.0
109.10738	1.0
111.11536	0.8
113.02201	1.1
119.08408	1.6
121.06346	0.9
123.11472	2.2
128.06010	0.9
133.09918	1.1
135.07867	1.5
137.05798	1.5
137.13110	1.6
139.07327	1.1
145.09946	1.0
149.05821	0.9
149.09477	0.9
149.93626	0.7
151.07425	0.8
153.05209	2.7
155.06732	1.3
157.06310	0.7
161.05742	2.0
161.09369	1.3
163.03726	1.3
163.07379	1.5
165.08913	1.1
171.07854	1.6
175.07251	2.5
177.05467	5.5
177.08978	1.0
181.04962	10.7
183.06522	3.7
189.09068	10.2
189.76715	0.7
191.06862	1.7
195.06528	25.5
203.10474	2.0
205.08467	0.9
207.06276	2.1
209.08083	12.9
221.07924	1.2
222.34157	0.8
223.09651	13.9
235.09433	1.7
237.11227	15.9
249.11208	8.8
251.12738	5.7
263.12509	3.0
265.14221	1.7
277.14059	1.1
279.15860	0.8
291.15796	1.8
293.17114	1.5
300.05283	0.9
307.19009	3.6
309.82880	0.7
319.18936	2.5
321.20029	0.9
333.20578	1.1
387.62729	0.7
443.31601	4.5
461.32620	100.0
462.32794	4.7
479.33698	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	479.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.07085	1.2
67.05518	1.0
69.07057	2.3
69.42641	3.4
71.04994	0.7
71.08627	0.7
79.05508	0.9
81.07049	3.2
83.08640	1.3
85.10184	1.0
89.06050	1.0
91.05508	0.5
93.07056	0.9
95.04961	0.5
95.08614	3.2
97.10213	1.5
105.07056	1.0
107.08603	0.8
108.89609	0.4
109.06531	0.8
109.10123	2.1
111.11742	0.6
116.64922	0.5
119.08547	0.6
123.11757	1.2
125.05979	2.0
125.86311	0.4
127.03974	0.6
135.08093	0.8
135.11734	0.6
136.08440	0.7
137.05960	2.6
139.07532	0.8
145.33360	0.4
147.11789	0.7
151.07579	0.7
167.07117	1.5
177.09148	0.9
177.11325	0.5
212.13354	0.4
242.20313	0.4
324.92502	0.5
347.21857	0.4
443.35287	0.8
461.36157	1.0
479.35205	100.0
480.35211	2.2
497.35992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01878	0.5
55.05266	0.3
55.05512	7.1
57.07084	2.1
65.03941	0.7
67.05505	8.0
69.03423	0.5
69.06716	0.6
69.07075	9.6
69.94630	0.7
69.95047	1.5
71.08626	0.7
79.05488	3.9
81.03425	0.7
81.07061	21.0
83.01341	1.2
83.04977	0.8
83.08624	3.7
85.02880	0.5
85.06549	2.4
91.05492	1.4
93.07040	2.3
95.01304	0.9
95.05022	0.9
95.08610	14.1
97.06532	0.5
97.10178	1.8
99.00822	5.0
99.04460	1.8
99.08090	0.7
105.07005	1.8
107.08609	1.1
109.02884	0.5
109.06548	0.7
109.10165	5.8
111.08084	0.4
113.02365	1.5
117.01839	0.8
117.07052	0.4
119.04939	0.4
119.08578	1.2
121.06548	0.5
121.10156	1.3
123.04441	0.6
123.11731	2.2
125.05993	0.7
131.08548	1.0
133.06509	0.9
133.10149	1.5
135.04449	0.9
135.08052	1.2
135.11707	0.8
137.05984	1.1
137.13303	1.1
139.07556	0.7
143.08644	0.5
145.10147	0.9
147.11690	0.5
149.05975	1.2
149.09540	0.5
149.13269	0.6
151.07553	1.2
153.05412	2.2
155.07005	0.6
157.10179	0.9
159.11694	0.6
161.06009	0.8
161.09644	0.6
163.03931	1.5
163.07570	1.7
163.11154	0.6
165.09138	0.7
167.07030	0.5
169.05005	0.6
171.08035	0.7
171.11717	0.4
173.13194	0.5
175.07562	1.5
175.11139	0.4
177.05478	4.1
177.09164	1.1
181.04977	8.9
183.06541	3.0
189.09108	8.1
191.07039	1.4
191.10750	0.6
195.06544	19.8
203.10677	1.5
205.08661	0.9
207.06592	1.5
209.08093	10.1
217.12328	0.6
219.10306	0.6
220.74420	0.4
221.08153	1.1
223.09641	11.7
235.09773	1.8
237.11217	13.7
249.11217	8.9
251.12814	4.9
261.11334	0.5
263.12720	2.9
265.14398	1.7
277.14423	1.0
279.16022	1.3
291.15857	1.1
293.17456	1.6
307.19043	3.7
317.06512	0.8
319.19070	2.1
321.20621	0.5
361.23581	0.5
370.58359	0.4
443.31534	4.3
444.31821	0.4
461.32654	100.0
462.32886	3.6
479.33908	8.6
480.33157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00868	0.2
53.03946	0.2
54.43562	0.2
55.01864	0.3
55.05509	0.9
56.96558	0.2
57.03426	0.7
57.07073	0.4
58.16499	0.2
60.20017	0.2
61.02927	6.2
61.94005	0.2
65.03930	0.4
67.05505	1.3
67.05802	0.2
69.03439	1.5
69.07066	1.2
69.23885	2.0
69.24220	0.3
71.04986	0.6
73.02927	1.6
76.89413	0.2
79.05514	0.9
81.03421	0.6
81.07057	2.3
83.08611	0.5
85.02900	6.7
85.06532	2.2
91.03955	3.7
91.05486	0.7
92.02612	1.0
93.03418	1.3
93.07040	1.1
95.05012	0.2
95.08604	2.2
97.02886	3.5
97.06555	0.3
98.20670	0.4
98.97587	0.4
99.04435	0.6
99.08109	0.3
105.03355	0.2
105.07005	0.8
107.08587	1.1
109.02889	0.5
109.10141	1.6
110.97524	0.2
111.00816	0.3
111.08077	0.2
113.09599	0.5
115.03954	0.3
119.08547	0.6
119.97729	0.2
120.08131	0.2
121.02846	1.3
121.10142	0.7
123.07999	0.3
123.11695	0.7
125.09608	0.3
126.03117	0.5
127.03933	1.0
131.08470	0.2
133.10101	0.2
135.04430	0.2
135.11690	0.8
137.02318	0.3
137.05916	0.2
137.09668	0.3
137.13225	0.4
139.03899	1.1
145.04953	0.7
145.97601	0.2
149.13219	0.5
151.03932	0.9
151.07507	0.3
151.11182	0.3
153.01820	9.0
153.12781	0.3
154.02075	0.2
161.13254	0.2
163.03865	0.5
163.14844	0.3
165.01843	0.6
166.02586	0.2
166.09387	0.2
170.99626	0.2
173.05927	0.2
177.05441	0.4
177.16417	0.2
183.02846	0.2
189.16391	0.2
200.04695	0.3
201.05431	0.9
203.03311	0.5
217.04947	1.5
218.05727	0.6
219.02876	0.3
228.04144	1.5
229.04959	3.6
231.02840	0.4
245.04475	1.4
245.22661	0.7
246.05276	2.1
256.03726	0.4
257.04410	2.7
260.03122	0.5
261.07632	0.4
263.23727	0.7
273.03928	2.2
274.04709	4.4
281.24710	1.2
284.03159	0.5
285.00793	0.2
285.03931	4.2
286.04514	0.2
288.06091	0.2
299.25909	1.0
302.04205	12.7
303.04617	0.5
314.04132	0.2
317.06546	100.0
317.26767	0.5
318.06879	4.4
329.06549	0.7
341.06625	0.2
355.08112	0.2
359.07623	0.6
376.28824	0.2
383.07489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27960	1.0
52.33562	0.8
53.03952	1.4
55.05298	0.8
55.05514	9.8
57.07066	2.2
57.96474	0.7
63.43172	0.9
63.89579	0.7
67.05511	8.4
67.11931	0.8
67.13177	0.8
68.33310	0.8
69.07069	12.6
70.85388	1.7
70.85744	1.7
79.05483	3.1
81.07059	19.3
83.08620	4.5
85.06551	2.6
91.05475	2.3
93.07037	3.7
95.01331	1.1
95.05001	1.1
95.08606	15.2
97.06503	0.8
97.10172	2.0
99.00817	6.7
99.04443	2.6
101.79656	0.9
102.10275	0.8
105.07020	1.8
107.08593	1.3
109.06503	1.1
109.10147	6.1
117.07043	1.2
119.04932	0.8
119.08564	1.7
123.11697	2.9
125.05977	1.0
131.08578	1.2
135.04410	0.9
137.06006	1.5
137.13211	1.6
145.10118	1.1
149.05998	1.4
151.07500	1.4
153.05470	2.8
159.11530	1.0
161.05923	1.0
161.09605	1.0
163.03844	1.2
163.07549	1.8
163.11253	1.1
167.07010	0.8
175.07587	2.0
177.05515	4.5
177.09128	2.1
181.04950	12.6
183.06578	3.0
189.09135	9.3
191.07011	1.8
195.06531	24.2
202.28555	0.8
203.10609	1.8
205.08652	1.1
207.06448	2.1
209.08067	8.7
221.08041	1.2
223.09666	13.7
235.09686	1.8
235.13156	0.9
237.11212	14.4
245.15271	0.9
249.11243	10.3
251.12814	3.6
263.12772	2.6
265.14252	1.7
277.14410	1.1
279.15826	1.3
291.15912	1.3
293.17389	1.2
305.17685	1.3
307.18958	3.4
319.19107	2.2
432.55075	0.9
443.31693	5.2
461.32642	100.0
462.33224	2.0
479.33682	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	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.07079	0.7
60.25335	0.6
67.05499	1.0
69.03423	1.0
71.61240	0.9
79.05482	1.3
81.07052	2.4
85.02908	1.7
91.05474	1.5
93.07031	1.3
95.04951	0.8
95.08625	3.0
97.02867	0.8
97.06533	0.7
105.07029	1.0
107.08596	2.0
109.06585	0.7
109.10158	1.2
111.08143	0.6
119.08582	1.3
121.10143	1.0
125.09668	0.6
133.10117	1.3
135.08047	0.7
135.11664	0.8
137.06047	1.3
137.09564	1.1
153.01891	1.1
153.05460	0.7
165.09116	1.2
177.16461	0.8
231.13567	4.8
245.06396	1.2
254.30641	0.7
271.04327	2.1
289.05240	4.8
302.04324	2.0
317.06570	13.0
375.17719	0.9
393.18887	8.9
417.18921	1.2
435.13745	0.9
435.19901	26.7
479.18912	100.0
480.19415	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	479.2099
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
52.26703	0.4
53.03939	0.6
55.01876	0.6
56.96549	0.5
63.42242	0.4
67.05525	0.6
69.03414	1.1
69.34758	3.1
70.87696	0.4
71.04990	0.5
79.05499	0.5
81.07027	0.7
85.02903	1.6
87.04453	0.4
91.05448	0.5
91.83293	0.3
93.03390	0.4
93.07063	0.9
95.08598	0.6
97.02905	0.7
97.06537	0.5
98.97609	0.6
105.07030	0.9
107.04950	0.5
107.08588	0.9
109.02872	0.6
111.08089	0.4
117.07082	0.5
119.08623	0.4
120.08144	0.4
121.06528	0.5
123.05505	0.4
123.08030	0.5
127.03881	0.4
137.05936	0.6
138.69215	0.4
145.02844	0.8
145.10181	0.4
151.03946	0.6
153.01874	1.3
161.05984	0.6
167.03413	6.5
177.05429	0.8
182.07086	0.4
185.11519	1.0
193.08539	0.5
223.17654	0.4
237.02847	0.4
257.04593	0.7
257.56015	0.4
271.11163	0.5
273.03699	0.4
274.04779	0.9
285.04053	1.0
302.04163	2.1
317.06573	16.1
317.10159	4.3
318.06931	0.4
347.16751	16.1
479.20999	100.0
480.21350	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54403	0.8
68.49747	0.9
69.03419	1.4
69.39435	2.8
69.39863	3.4
79.20390	0.7
81.07066	1.1
85.02911	1.8
95.08599	1.6
98.97588	1.3
105.07014	0.9
107.08614	1.7
109.10209	1.3
121.10122	1.1
133.10150	1.6
137.05975	1.2
137.09596	1.3
137.26302	0.8
153.01849	1.2
167.19521	0.7
171.00870	0.8
180.09370	0.8
201.83881	0.8
212.46877	0.8
213.12602	1.2
222.07472	0.8
227.05252	0.9
231.13623	3.4
245.06342	1.4
271.04395	1.9
289.05222	4.0
291.14444	1.1
302.04282	1.1
317.06558	8.1
368.47318	0.8
393.18784	9.7
417.18982	1.3
429.05508	0.9
435.19904	30.5
479.18954	100.0
480.19266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.78565	0.4
55.01861	0.7
57.03434	0.9
61.02902	1.8
64.70238	0.5
66.84189	0.6
69.03436	3.3
69.76484	3.1
81.03416	1.6
85.02905	10.3
91.03944	0.6
92.02634	1.2
93.03392	1.4
94.38588	0.5
97.02907	3.5
99.04456	0.6
109.02824	0.7
121.02870	1.1
127.03899	1.4
139.03867	0.9
145.04985	1.4
153.01808	6.9
165.01860	0.6
172.62102	0.4
196.53458	0.6
201.05621	0.7
217.05029	0.7
218.05682	0.7
228.04134	1.4
229.04942	3.3
245.04463	1.1
246.05193	1.4
257.04419	2.1
260.03168	0.6
273.04025	1.9
274.04617	3.3
285.03976	4.4
302.04227	12.6
317.06558	100.0
318.06882	2.3
359.07800	0.6
395.73569	0.6
396.88980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside
Peak:m/z	Relative Intensity
55.01860	0.7
55.05503	0.5
57.03416	0.5
57.75065	0.4
61.02906	0.4
67.05500	1.1
68.99780	0.8
69.03422	0.9
69.69783	0.8
69.70199	1.6
71.04990	0.8
73.02869	0.5
79.05456	0.8
81.03406	0.7
81.07041	1.1
85.02892	1.7
85.06509	0.4
89.03909	0.6
91.05447	1.3
93.03397	0.5
93.07039	1.0
95.04970	0.9
95.08586	1.0
95.93607	0.4
97.02879	1.3
98.21526	0.5
98.97573	1.2
99.04411	0.6
105.07023	1.7
106.48195	0.4
107.04938	0.7
107.08561	1.3
109.02835	0.5
109.10144	1.0
110.97574	0.3
111.04424	0.9
112.88653	0.4
115.03907	0.4
116.98616	0.6
117.03370	3.2
119.08561	0.6
120.08128	0.5
121.06522	0.4
121.10107	0.7
124.01562	1.4
127.03896	0.6
131.04979	0.5
133.06523	0.7
133.10143	0.7
135.04379	0.6
135.11679	0.7
137.02373	0.5
137.05930	1.9
137.88373	0.4
139.03944	0.5
145.01730	0.7
145.02840	10.9
145.04732	0.4
149.05965	1.3
149.09669	0.5
151.03882	0.4
151.07558	0.8
152.00986	1.8
158.99654	0.6
161.05992	0.8
163.03949	0.5
167.03398	100.0
167.14322	0.4
168.03767	0.7
168.19736	0.3
170.02090	1.8
174.88670	0.4
177.00703	0.7
177.05475	15.8
185.04507	1.0
204.49239	0.5
275.09134	0.9
281.11414	1.3
286.10709	0.6
299.09341	0.6
317.10190	77.8
318.10583	1.4
479.20599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01863	1.6
55.05518	7.8
56.05022	3.9
56.54435	1.1
56.96551	2.6
57.03448	2.8
58.83913	1.4
60.04526	82.5
61.02910	5.2
65.22176	1.2
67.05504	13.6
69.03429	8.5
69.07063	6.2
70.03046	1.4
71.04967	2.2
71.36862	2.4
72.04518	4.2
73.02928	1.5
74.06066	6.0
79.05497	8.0
81.03415	5.5
81.07051	14.9
82.06568	1.4
83.04983	2.2
83.08626	4.4
84.04507	4.0
85.02903	16.2
85.06530	1.6
86.06061	1.9
87.04510	1.6
91.03927	2.9
91.05471	8.7
93.07051	10.1
94.06582	1.4
95.04962	3.1
95.08603	10.9
97.02906	7.3
97.06550	2.2
97.10177	3.0
98.06059	1.7
99.08077	1.5
102.05557	4.5
104.07108	2.2
105.07039	5.9
107.04949	2.6
107.08585	5.4
109.06532	1.5
109.10162	6.6
119.08580	3.5
121.10171	4.4
127.03917	3.7
129.29636	1.3
131.08595	1.7
133.10141	5.2
135.11713	2.2
145.04987	1.5
145.10077	2.1
147.11742	2.0
148.13489	1.6
149.13356	1.9
150.85500	1.6
180.10164	2.4
193.12279	1.8
206.10233	3.2
224.11232	5.7
250.25241	2.7
262.25342	1.5
267.08911	3.2
280.26440	10.0
285.10159	4.8
297.12201	2.4
298.27396	14.8
316.28473	100.0
334.57193	1.5
340.28247	2.3
349.16501	1.5
358.29623	5.1
368.23105	1.9
442.31699	2.4
450.20224	2.2
460.18686	3.5
460.27228	2.9
460.32791	2.6
478.20300	2.9
478.33795	41.1
478.38495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01859	0.4
57.03423	1.0
60.62597	0.2
60.81254	0.2
61.02922	1.4
65.03928	0.4
68.99762	0.3
69.03426	3.6
70.58663	0.7
71.04978	0.5
73.02930	0.5
81.03425	1.6
81.07026	0.3
85.02908	10.1
91.03960	0.6
92.02608	1.0
93.03410	1.2
95.08606	0.3
97.02901	3.3
98.72758	0.2
99.04435	0.5
107.08579	0.2
109.02867	0.9
111.00797	0.2
115.29367	0.2
121.02876	1.0
127.03910	2.0
137.02357	0.3
139.03885	1.0
145.04956	1.4
151.03891	1.0
151.04942	0.2
151.07567	0.3
153.01828	8.2
165.01903	0.6
201.05426	0.9
203.03400	0.3
217.04973	0.7
218.05696	0.7
228.04190	1.7
229.04948	4.2
231.02933	0.4
243.06500	0.3
245.04445	1.2
246.05261	1.5
257.04449	2.8
260.03201	0.3
261.07635	0.4
271.06000	0.3
273.04004	1.6
274.04761	4.3
284.03244	0.6
285.03955	5.0
302.00705	0.5
302.04218	12.3
317.06558	100.0
318.06973	1.1
329.06284	0.4
359.07611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.49660	0.4
53.03941	0.9
55.05514	12.3
56.61689	0.5
57.03182	0.6
57.03442	8.0
57.07064	1.9
62.14178	0.5
65.03923	0.6
67.05506	29.5
69.07070	16.2
69.92180	1.8
71.04990	0.8
71.08610	1.0
72.81166	0.4
79.05495	7.7
81.07059	27.4
83.04987	1.0
83.08626	7.1
85.06538	1.1
91.05489	5.7
93.07046	8.1
95.08610	19.8
97.06528	1.4
97.10155	2.9
98.98454	0.6
99.08090	0.7
105.07040	3.7
107.08591	4.3
109.10152	8.3
111.08067	1.0
111.11684	0.5
113.09646	0.5
119.08583	4.1
121.10149	4.1
123.08090	0.6
123.11703	2.9
124.01624	0.7
131.08504	0.5
133.10123	3.6
135.11703	2.6
137.13268	1.6
147.11659	1.1
149.13248	1.5
155.00981	0.6
161.13281	1.3
163.14876	0.8
175.14897	0.9
177.16406	0.7
214.04610	0.4
215.14006	0.4
216.06290	0.7
263.23669	1.0
280.24704	0.6
306.27948	1.9
310.68002	0.7
337.27371	100.0
338.27792	3.2
433.09302	0.5
478.15579	0.9
478.31064	0.7
479.30573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58828	1.4
51.90392	1.5
55.05508	12.1
55.64907	1.5
57.03420	4.8
57.07063	2.8
59.18925	1.7
62.06096	33.4
67.05173	2.1
67.05511	29.6
69.07071	14.8
70.91763	1.9
70.92106	3.5
79.05489	9.6
79.75887	1.4
80.89284	1.9
81.07061	28.4
83.08582	8.2
83.42027	1.6
83.65485	1.5
86.65918	1.6
89.11182	1.5
91.05465	6.0
92.02120	1.6
93.07066	11.8
95.08612	26.0
97.06497	1.9
97.10184	2.0
98.98479	9.1
105.07039	6.3
107.08598	8.8
109.10160	8.6
119.08587	5.1
121.10133	5.7
123.11728	4.4
124.01604	2.6
127.52751	1.5
131.08510	1.6
133.10146	3.7
135.11673	4.7
136.04044	1.5
137.13295	1.7
145.10149	1.6
147.11717	2.7
155.01015	5.5
161.13237	1.7
163.17723	1.5
163.86314	1.5
168.20175	1.6
216.06277	3.8
245.22577	2.0
263.23749	4.8
306.27850	10.6
337.27390	100.0
338.27798	3.1
344.35175	1.7
460.28110	3.4
478.15643	2.4
479.31372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
57.03417	19.3
58.84422	4.5
69.03429	63.1
71.13610	4.1
71.45721	7.3
73.02901	14.1
79.62532	4.0
81.03391	8.1
81.13621	4.0
85.02902	61.0
87.04465	39.4
91.05473	7.9
97.02902	60.0
107.04946	100.0
115.03923	67.2
121.06486	4.7
121.15498	4.7
127.03911	9.2
131.04892	12.7
131.08566	91.6
133.04961	72.2
144.26544	5.7
145.04961	10.9
145.06429	6.3
149.06015	44.0
149.09631	67.3
150.07581	7.1
152.21793	4.5
157.07649	7.5
167.06995	5.4
173.05998	6.7
173.09595	11.5
185.09564	11.2
191.10648	17.9
203.07066	12.8
207.77618	4.5
215.10709	9.7
245.11703	15.9
263.12805	14.0
275.12878	5.2
298.15405	5.8
317.06503	18.5
400.32098	6.5
472.08777	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	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.4
60.79911	2.8
67.05492	4.9
69.03429	2.8
69.07075	14.6
69.44266	10.4
69.44697	11.4
79.05491	5.8
79.80976	2.6
81.07052	17.4
83.08617	7.4
85.02892	9.5
91.05447	6.6
93.07062	22.1
95.08601	36.9
97.02873	2.5
97.10166	3.8
98.97570	7.3
105.01856	10.4
105.07023	5.9
107.08591	50.8
109.10173	13.5
118.52373	2.7
121.10135	85.7
123.11686	6.3
124.93877	3.0
127.03922	3.8
135.11688	22.7
137.13277	24.4
145.04945	8.4
149.13263	5.2
156.84058	2.9
158.99681	3.5
177.16388	100.0
195.17416	18.9
249.05940	3.0
272.10858	4.8
272.61105	12.1
273.11560	5.1
302.04297	4.9
317.06555	45.0
478.23251	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	477.3941
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
55.05513	20.8
55.47598	3.4
57.03431	3.6
57.07074	11.4
60.07510	3.1
67.05505	32.4
69.07069	34.0
69.31980	8.6
69.32381	31.0
71.05009	3.9
71.08626	7.2
78.58598	3.0
79.05505	19.3
81.06621	6.6
81.07056	56.0
83.08633	19.3
85.06538	5.6
88.78740	3.7
91.05482	27.5
93.07040	37.2
95.04958	8.1
95.08609	63.5
96.58459	3.4
97.06525	7.4
97.10159	15.4
105.07031	23.9
107.04943	5.3
107.08606	52.9
109.06485	5.2
109.10162	37.0
111.08099	6.2
111.11735	7.1
117.07012	6.5
119.08588	34.0
121.10136	44.6
123.08057	6.3
123.11700	22.4
125.09688	5.8
131.08539	12.3
133.10127	27.3
135.11691	41.8
137.09650	6.1
137.13258	8.5
145.10115	25.4
147.11739	16.8
149.09732	3.7
149.13264	17.5
151.14645	3.5
157.10146	6.3
159.11726	27.0
161.13229	16.0
163.11102	5.7
163.14868	7.3
165.09152	4.3
171.11815	4.1
173.13295	13.9
175.14848	11.6
177.16379	7.6
185.13347	4.5
187.14803	18.6
189.16434	10.3
191.17990	13.6
199.14883	5.5
201.16437	30.1
203.17982	24.6
213.16393	7.9
213.18407	3.4
215.17995	12.0
227.17908	4.0
229.19588	7.4
251.20062	9.0
387.25723	3.7
423.36386	8.3
441.37405	100.0
459.38147	12.8
477.15320	11.6
477.32285	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01872	9.7
55.05516	35.7
56.96558	11.0
57.03431	8.2
59.44868	5.1
67.05504	53.7
67.11192	4.5
69.03426	13.9
69.07060	33.4
69.42059	41.8
71.04958	5.1
79.05497	55.2
81.03410	24.5
81.07056	83.1
82.81461	5.2
83.04984	13.6
83.08598	25.7
85.02924	4.9
85.06552	13.3
91.05480	46.6
93.07056	64.0
95.04968	13.5
95.08609	74.4
97.02923	7.1
97.10177	16.6
98.20762	10.6
99.04459	7.2
99.08060	5.9
100.91191	5.2
105.07025	52.5
107.04960	5.8
107.08607	56.3
109.06527	11.9
109.10175	40.0
111.08075	17.6
117.06998	9.5
119.08580	59.6
121.06541	10.6
121.10145	75.8
123.08051	12.9
123.11708	27.0
125.09635	13.6
129.07008	16.3
131.08592	24.4
133.10121	49.6
135.11707	44.1
136.01184	4.8
137.05894	5.7
137.13263	10.0
139.07558	15.2
139.11142	8.0
139.51044	4.9
143.08601	10.9
145.10133	33.9
147.08044	6.8
147.11684	27.2
149.09613	11.6
149.13271	18.9
157.08803	5.8
157.10130	13.8
159.11682	40.8
161.13283	19.2
163.11256	8.0
165.09108	34.3
171.11716	14.0
173.13356	9.3
175.11198	9.6
175.14812	12.3
177.12779	10.2
177.16370	24.8
179.14360	8.1
181.12260	5.3
183.11638	7.7
185.13226	13.6
187.14798	21.5
189.16374	16.0
191.14311	9.4
191.17982	7.0
193.12346	12.8
195.13828	8.3
199.14819	11.4
201.16394	21.7
203.17920	34.2
207.17436	9.3
213.16354	14.7
215.14384	6.5
215.17851	6.5
217.12352	7.5
227.17828	6.3
233.15366	26.8
251.16377	14.8
267.15912	8.6
269.22629	14.6
349.16339	6.0
423.32712	35.7
441.33801	100.0
459.27271	25.8
459.34521	19.0
477.15491	6.5
477.23712	17.6
477.29953	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	477.3939
Annotation	Fasciculol A
Peak:m/z	Relative Intensity
55.05502	30.8
56.96563	6.6
57.03457	6.5
57.07066	15.8
57.39495	5.7
59.12737	4.9
59.78131	5.7
65.03922	7.5
66.33146	5.7
67.05499	47.6
67.39272	5.6
68.10243	6.0
69.03442	6.1
69.07075	50.7
69.57236	37.9
71.08617	11.3
73.02907	8.2
79.05480	35.2
81.03411	7.9
81.07057	87.8
83.04933	9.7
83.08616	35.5
85.02895	7.9
85.06566	5.6
91.05474	27.3
93.07042	51.5
95.04978	9.0
95.08611	81.1
97.02882	9.4
97.06525	14.1
97.10162	17.3
98.20745	13.2
99.04409	6.9
99.08111	5.6
105.07032	42.3
107.08595	75.2
109.06513	7.0
109.10149	61.2
111.08026	10.3
111.11743	6.7
117.07003	6.8
119.08569	43.9
121.06517	7.9
121.10133	49.9
123.08032	7.8
123.11662	27.1
125.09660	8.8
131.08543	23.3
133.10110	40.1
135.11694	57.3
137.05928	7.4
137.09610	10.3
137.13310	13.1
145.10136	30.4
147.11673	24.6
149.09604	9.2
149.13222	20.9
151.07437	6.7
153.01811	13.2
153.09068	6.9
154.10945	6.0
157.10063	7.3
159.11671	38.2
161.13234	16.6
163.11176	7.8
163.14711	10.9
165.12808	7.4
173.13263	22.7
175.14790	16.5
177.16415	9.7
185.13301	10.7
187.14839	34.0
191.17990	19.9
201.16327	35.9
203.17891	25.5
215.17943	10.4
229.19527	11.0
237.18417	5.8
249.18886	6.8
251.20049	13.7
309.20490	8.2
317.17728	14.2
327.02176	6.8
329.03748	5.7
339.04956	9.0
349.15814	11.8
370.73557	6.6
441.37726	100.0
459.34317	30.3
477.15170	25.5
477.29437	55.4
477.35352	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05175	2.6
55.01865	4.0
55.05515	45.1
57.03425	2.3
57.07076	28.7
62.68690	2.4
67.05507	41.9
69.03403	4.6
69.06708	4.5
69.07070	74.7
70.99941	4.1
71.00269	4.0
71.05029	3.2
71.08653	18.9
79.05506	19.7
81.07061	100.0
83.04990	7.9
83.08628	45.6
85.10191	12.2
91.05493	9.2
93.07057	29.7
94.43218	2.5
95.04948	6.5
95.08610	87.4
95.09224	4.7
97.06554	4.4
97.10175	27.9
99.04432	6.3
99.08128	3.1
105.07028	22.1
107.08609	29.1
109.06513	14.8
109.10172	52.8
111.04460	9.5
111.08077	6.0
111.11713	13.9
115.73260	2.2
117.07024	5.8
119.04940	2.4
119.08582	22.4
121.10154	26.6
123.08079	8.0
123.11706	28.1
125.05993	24.8
127.03019	2.2
127.03880	11.7
128.06219	4.3
129.07001	5.5
131.08574	8.8
133.06509	13.6
133.10138	11.7
135.08061	4.3
135.11668	13.8
137.05991	63.8
137.09644	2.8
137.13240	14.2
139.07578	8.1
139.14847	3.7
142.07782	8.5
143.08559	9.1
144.09401	4.0
145.10089	15.3
147.11717	7.9
149.05971	3.1
149.09656	3.6
149.13255	18.8
151.07549	39.5
151.11174	3.7
151.14857	6.1
153.05460	10.8
155.08533	3.3
156.09435	4.4
157.10115	18.0
159.07982	3.5
159.11713	34.7
161.09612	4.4
161.13280	6.6
163.07567	2.8
163.11171	5.1
163.14867	8.8
165.09167	7.1
165.16443	5.0
167.07089	11.9
167.08401	2.8
169.10133	6.2
171.08075	21.2
171.11713	9.6
172.08893	7.7
173.09631	29.2
173.13223	3.1
175.07515	3.5
175.11224	12.7
175.14838	7.5
177.09158	8.8
177.12706	4.0
177.16444	4.6
179.07097	5.4
179.18056	3.4
181.10045	2.8
183.11711	4.5
185.09622	38.5
185.13271	5.2
186.10347	3.1
187.11195	39.9
189.09128	10.4
189.12756	3.9
189.16399	10.8
190.09958	3.2
191.10725	7.6
191.17981	4.3
193.08614	18.4
193.12268	2.7
195.11705	4.7
199.11191	5.1
199.14836	4.5
201.12721	5.7
203.10699	16.6
205.12294	12.5
205.19505	3.2
209.13416	3.4
213.09210	3.2
213.12708	5.2
213.16428	3.2
215.10667	4.7
217.12277	6.9
219.13857	4.7
219.21252	2.7
227.10599	4.9
227.14368	4.1
229.12273	6.0
229.15958	3.2
235.16962	12.0
241.15929	5.1
243.17448	4.0
249.25832	7.7
255.17400	2.5
257.19080	3.7
269.18927	3.3
273.18497	3.2
275.27414	18.7
287.19617	2.6
315.30518	3.2
333.31418	6.3
381.31561	17.6
395.33105	13.5
399.32642	19.0
413.34283	6.4
417.33490	4.7
423.32559	6.4
441.33994	22.7
459.34891	22.6
477.33881	51.8
488.89560	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3578
Annotation	2-epi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
55.05513	28.2
57.07069	12.9
57.39071	5.7
61.17710	5.9
67.05510	55.6
69.07069	47.5
70.94729	8.2
70.95033	6.1
71.08630	9.3
79.05511	35.2
81.07060	89.2
83.04950	10.6
83.08615	25.5
84.31269	5.7
85.06552	9.2
91.05460	27.6
93.07056	69.5
95.08605	100.0
97.06532	9.2
97.10146	10.6
105.07028	45.4
106.57699	6.4
107.08591	92.3
109.06509	7.1
109.10177	63.5
111.08062	12.9
111.11694	7.1
117.07014	8.6
119.08582	78.4
121.06497	7.6
121.10153	90.8
123.08057	6.5
123.11708	42.5
124.37807	6.4
125.09619	10.4
129.06955	6.2
131.08559	16.1
132.78502	5.7
133.10143	60.4
135.08078	10.7
135.11696	53.8
137.13225	14.6
139.11183	10.7
145.10158	32.7
146.99721	8.1
147.11710	34.3
149.13266	51.5
151.11140	6.0
153.01772	10.4
153.09056	13.5
156.43881	5.8
157.10141	17.7
159.11702	23.9
161.13243	19.4
163.11145	10.1
163.14838	39.2
165.09059	7.1
165.12755	9.5
167.10672	7.4
167.14316	15.0
171.11731	14.0
173.13297	15.5
175.14833	13.1
177.12784	8.0
177.16377	13.4
185.13213	10.4
187.14883	11.2
189.16432	24.3
191.14334	6.5
191.17987	42.7
195.17455	11.2
201.16377	29.1
203.17992	31.9
205.15955	9.1
207.17418	13.4
209.15215	6.9
213.16647	6.4
217.19617	12.1
219.17381	15.1
227.12811	8.5
231.21062	8.6
233.15450	7.2
235.20660	7.0
239.79219	6.0
241.19395	7.6
252.51166	6.7
255.21034	21.4
259.20566	19.3
273.22092	20.6
273.51233	7.5
301.21753	7.5
317.17834	9.3
337.27481	28.8
349.15805	15.5
351.12439	12.8
374.90710	5.8
387.32687	9.7
395.33090	24.7
413.34192	73.0
423.32541	9.3
431.35306	60.8
436.29007	12.1
441.33844	37.7
459.35278	50.0
477.15594	32.0
477.29123	59.4
489.82260	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	477.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97155	0.4
52.09197	0.4
55.05512	5.6
57.01451	0.4
57.07079	2.2
67.05499	3.2
69.06712	0.7
69.07067	10.3
71.04976	0.5
71.08614	1.6
79.05497	2.1
81.07059	7.9
83.01318	1.2
83.08627	5.6
91.05472	1.1
92.99509	0.8
93.07024	1.5
95.08611	6.9
97.10159	3.7
98.20688	0.8
99.04444	0.6
99.27000	0.4
105.07000	1.3
107.04668	0.5
107.08587	1.4
109.06469	0.5
109.10163	3.6
111.11730	2.1
113.06033	0.6
113.88297	0.4
119.08581	0.9
121.10146	0.9
123.11701	1.7
125.05948	1.0
125.13277	0.5
131.08505	0.4
133.10104	0.7
135.11714	1.0
137.05974	1.9
137.13304	0.9
139.07524	0.5
141.52747	0.5
149.13223	0.5
151.07539	1.3
155.07047	3.2
163.14838	0.6
165.05449	2.4
167.07057	1.8
177.09038	0.5
183.06543	4.0
187.14737	0.4
191.10661	0.5
229.23276	0.6
231.17589	0.4
249.11086	0.9
413.34119	0.8
417.33414	1.0
431.35260	1.3
433.30820	0.4
447.28690	0.9
459.34445	2.7
463.59973	0.4
477.33380	100.0
478.33951	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	477.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75298	0.4
53.36417	0.5
55.05497	1.5
57.07055	0.5
67.05510	5.3
69.03428	1.2
69.07040	0.6
69.52615	2.8
70.54924	0.4
79.05481	1.4
81.07059	4.1
83.04994	0.8
83.08647	0.6
85.02912	0.8
91.05479	1.0
93.07043	1.6
95.08604	10.2
105.07008	1.9
107.04926	0.4
107.08582	1.1
108.05780	0.7
109.06544	0.4
109.09444	0.6
109.10156	7.8
111.04483	0.5
119.08575	1.2
121.10131	0.6
123.08081	9.7
123.11713	5.5
127.03927	0.6
133.10144	0.6
135.08095	0.9
135.11737	0.5
137.09657	2.1
139.07559	0.6
145.10112	0.6
147.11731	0.6
149.13258	0.9
151.07541	100.0
152.07925	0.6
155.10657	0.6
161.09612	2.1
163.11171	0.4
165.09138	4.2
167.07074	1.1
173.09624	0.7
173.11742	1.1
175.11162	2.8
177.09061	2.0
177.16458	0.5
183.10149	0.7
187.11102	0.7
189.09045	0.7
189.12761	1.5
191.10651	7.1
199.11214	0.9
203.10641	0.8
205.12219	4.7
217.12245	0.7
243.17372	0.9
275.24039	0.4
285.18381	0.5
291.53589	0.4
293.24826	1.0
303.19534	3.0
321.40561	0.4
335.84146	0.4
355.33392	0.4
395.29330	1.8
413.30493	4.3
414.31091	0.4
423.29211	0.5
431.31573	1.7
441.30106	0.7
459.30862	1.1
477.31689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29785	0.2
57.07083	0.3
67.05490	0.5
68.13976	0.2
69.07059	0.4
71.08632	0.3
71.61780	0.4
76.44783	0.2
79.05478	0.3
81.07035	0.8
93.07007	0.3
95.08598	0.7
105.07011	0.4
109.10175	0.4
111.63529	0.3
125.06015	0.3
145.07954	0.3
290.97910	0.3
311.14090	0.3
312.17950	0.3
352.69519	0.3
353.63538	0.3
477.33423	100.0
478.34000	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	477.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60933	1.2
55.01866	2.4
55.05512	14.2
57.03435	3.7
57.07069	1.7
59.04993	1.1
61.54817	1.0
67.05504	14.2
69.07067	24.9
70.65295	2.8
71.05001	1.8
79.05492	14.8
79.69201	1.0
81.03416	13.6
81.07062	21.0
83.01380	1.5
83.05002	5.0
83.08628	9.1
85.02892	1.8
85.06582	1.9
91.05470	14.3
93.07045	12.8
95.04951	6.2
95.08605	10.9
97.02881	1.2
97.06545	2.8
97.10175	6.0
98.97601	1.8
99.00798	5.2
99.04447	2.0
105.07021	8.6
107.04981	4.9
107.08601	8.6
109.06521	3.6
109.10163	7.5
110.97565	1.1
111.04463	1.2
111.08096	2.3
111.11729	2.7
113.02425	1.1
117.07040	3.8
119.08578	7.1
121.06521	3.7
121.10133	5.6
123.08094	1.9
123.11732	2.9
125.06065	1.1
125.09632	5.2
129.07028	4.6
131.05014	1.1
131.08571	7.3
133.10141	5.9
135.08072	1.8
135.11732	3.6
137.05966	3.0
137.09648	1.3
142.07733	1.3
143.08560	3.2
145.06549	1.9
145.10147	3.2
147.08098	3.1
147.11644	2.4
149.05933	1.2
149.09631	2.1
149.13269	2.1
151.07590	2.8
153.05464	2.4
153.09062	1.4
153.12849	1.0
157.06601	1.3
157.10211	3.0
159.11789	2.4
161.09674	1.8
161.13332	1.1
163.07599	2.0
163.13467	1.1
163.14893	1.0
165.09161	4.1
167.07094	1.2
167.08525	1.6
171.11693	2.1
175.07587	2.5
175.11198	2.5
177.09131	1.4
177.12724	1.1
177.16440	1.0
181.04970	6.9
183.06618	1.1
185.13281	1.5
189.09279	1.6
189.11284	2.8
191.10732	1.7
193.12216	7.0
195.06509	16.7
199.14891	1.3
209.08060	8.6
209.09523	0.8
211.13373	2.1
215.14334	1.7
219.01868	2.4
223.09630	9.7
227.12900	3.1
233.15544	2.2
235.09854	1.7
235.13254	1.4
237.02858	1.4
237.11092	6.5
249.11282	2.1
251.12877	4.5
255.13951	1.5
265.14478	1.4
267.15945	5.8
273.14886	2.0
279.04230	1.1
293.17569	2.1
321.20984	1.6
349.21735	3.5
357.24789	1.3
367.22937	5.6
385.23636	8.9
403.24915	2.3
406.08463	1.1
407.08478	1.7
433.26303	1.1
437.54880	1.3
459.27585	9.7
459.32257	3.7
477.32315	100.0
478.32935	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.5
54.24656	5.6
55.01863	18.1
55.05511	79.9
57.03427	17.1
67.05505	82.4
69.03433	11.7
69.07071	25.0
71.04973	13.7
79.05491	79.1
81.03419	100.0
81.07066	71.7
83.04971	24.8
83.08625	40.0
85.02887	15.9
85.06513	4.6
91.05477	82.5
93.07044	59.3
95.04974	44.1
95.08602	37.2
97.06517	11.2
97.10173	48.3
98.97589	8.7
105.07040	57.9
107.04954	46.7
107.08595	43.0
109.06529	10.4
109.10136	18.8
110.97536	9.3
111.08072	17.0
114.73779	5.0
115.05467	6.4
117.07034	13.5
119.08598	39.6
121.06492	31.1
121.10148	17.4
123.08009	6.6
123.11737	5.8
125.09636	43.1
129.06993	32.3
131.04924	5.5
131.08574	36.3
133.06506	17.0
133.10143	25.4
135.08064	17.5
135.11658	9.2
137.05991	5.5
137.09572	5.0
141.06952	8.6
143.08524	14.1
145.06482	21.7
145.10091	12.8
147.08035	14.8
147.11662	24.4
149.09596	11.1
151.07660	6.8
151.11122	5.0
153.09209	7.8
155.08539	8.7
157.06493	10.1
157.10114	18.1
159.08078	7.4
159.11732	7.3
163.11220	12.4
169.10115	7.9
171.08006	6.1
171.10220	6.2
171.11630	6.8
175.11194	16.4
180.40417	5.3
180.97528	4.7
185.13263	6.9
187.11069	4.9
189.11212	13.9
193.10556	7.3
193.12227	58.4
197.13300	7.5
211.11578	4.8
211.13304	30.6
213.12764	5.5
215.14381	7.2
217.12195	6.5
227.12720	8.0
233.15320	15.1
235.13322	5.3
237.12761	6.1
245.15376	4.7
267.15948	32.9
273.14813	19.3
314.00183	5.4
339.23117	13.3
349.21521	19.8
357.24161	12.9
367.22675	55.8
372.70718	9.7
385.23767	90.1
403.24762	35.1
433.25632	5.0
441.26501	7.2
459.27396	94.4
477.28442	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91766	3.7
53.03191	4.1
53.03937	10.4
55.01867	14.6
55.05513	68.2
57.03440	11.0
57.24575	3.3
65.03946	5.6
67.05504	68.0
69.03418	16.7
69.07066	26.5
69.23870	2.9
70.85531	7.8
71.04997	7.1
73.19014	2.8
79.05492	69.5
81.03417	55.5
81.07063	61.5
83.04979	13.3
83.08622	35.1
85.02898	5.6
85.06526	4.2
91.05479	61.8
93.07050	49.9
95.04968	33.0
95.08607	43.2
97.06530	10.3
97.10173	52.2
98.97606	7.2
103.05469	3.5
105.07034	49.4
105.07678	5.4
107.04951	37.9
107.08606	38.9
109.06521	15.5
109.10172	25.3
111.08099	10.4
117.07015	18.5
119.04953	3.8
119.08586	32.8
121.06517	38.2
121.10146	20.6
123.04430	5.5
123.08073	14.2
123.11648	6.7
125.06010	5.1
125.09623	41.6
129.07008	24.9
131.04950	9.5
131.08569	27.7
133.06512	9.9
133.10123	19.7
135.04411	4.3
135.08049	13.5
135.11708	4.4
137.06018	5.8
137.09666	5.6
141.07002	5.8
142.07765	6.0
143.08557	13.0
145.06445	23.8
145.10132	14.7
147.04366	5.8
147.08060	13.8
147.11679	13.3
149.09624	5.2
151.07562	7.9
153.09097	7.1
155.08556	6.5
157.06439	6.1
157.10117	17.4
159.08081	7.3
159.11713	10.2
161.05995	6.8
161.09637	4.9
163.11205	4.5
165.05679	3.4
165.09070	5.8
167.07152	4.3
167.08519	5.3
169.10124	8.1
171.08081	7.1
171.10220	7.2
171.11745	12.0
173.13309	6.1
175.11203	9.6
177.12624	3.6
179.08580	3.6
181.04857	5.0
181.10114	7.8
183.11729	4.3
185.09657	4.3
185.13342	5.1
187.11113	7.5
187.14853	8.7
189.09314	4.4
189.11232	22.4
189.12672	4.7
193.12273	31.5
195.11642	5.0
197.09590	4.8
197.13103	4.2
199.11212	6.2
201.12773	3.7
205.12244	5.3
209.08107	5.1
211.11351	3.6
211.13255	11.7
213.12825	6.3
215.14366	6.9
217.12288	5.6
219.13748	3.5
219.21872	3.3
225.12466	5.0
227.12653	16.4
231.13744	7.2
233.15332	19.5
237.12770	3.7
245.15436	4.7
249.14856	5.3
255.13863	6.2
259.13199	3.3
267.15982	21.9
273.14847	15.1
287.16187	4.4
294.00439	3.6
339.23022	7.9
341.21133	7.7
349.21609	16.9
357.24301	17.5
360.44388	3.0
367.22699	47.6
372.45392	3.2
385.23730	81.9
403.24728	37.5
433.25986	15.9
441.26343	9.1
459.27325	100.0
460.28732	3.7
477.28534	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05516	12.1
57.03424	4.4
62.06089	35.1
65.03891	1.6
67.05165	1.9
67.05502	27.1
69.07076	11.7
71.60932	2.2
74.40005	1.6
79.05495	21.7
81.07059	32.9
83.04984	3.4
83.08607	4.8
85.02928	1.5
91.05469	13.0
93.07047	24.1
94.07361	1.6
95.04960	3.4
95.08613	26.6
96.08920	1.8
97.06558	2.1
97.10164	1.9
98.06100	2.3
98.98475	12.5
99.08076	2.9
105.07021	13.0
107.04977	1.9
107.08602	20.5
108.08945	2.0
109.06517	3.2
109.10155	10.2
110.10462	2.7
111.04444	1.5
111.08086	2.1
112.08812	1.4
117.07001	2.9
119.08585	12.8
120.08900	2.0
121.10139	18.5
123.08039	2.8
123.11726	4.4
127.07538	1.6
130.07097	1.8
131.08542	6.4
133.10138	11.1
134.10536	1.6
135.11684	9.7
137.09677	2.3
137.13283	2.1
138.36783	1.5
141.22116	1.4
142.02559	1.9
145.10112	5.9
146.10504	1.8
147.11691	4.8
148.12007	1.8
149.09650	2.1
149.13255	4.8
155.01068	1.8
157.10156	2.3
157.94728	1.7
159.11722	4.4
161.13234	3.8
163.11230	2.5
163.14850	2.1
173.02118	2.1
173.13283	3.4
175.14810	3.1
187.14742	1.8
189.16484	2.8
198.05290	3.7
216.06429	2.0
241.15802	1.9
243.21104	3.1
261.22128	6.6
304.26367	13.2
335.25806	100.0
347.54712	1.8
349.46359	1.7
365.98352	1.7
390.29526	1.8
396.85489	1.6
435.16705	1.9
458.26617	4.0
458.32831	5.5
476.27838	4.9
476.34747	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	476.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.07065	3.7
67.05503	4.8
69.07054	6.6
70.89896	2.8
81.07055	5.4
83.04974	2.6
83.08608	2.1
91.05534	2.5
93.07025	3.0
95.08610	4.2
107.08557	3.1
109.10152	4.3
109.78374	1.5
119.08595	3.3
120.04440	1.3
120.34752	1.7
121.06545	7.4
131.08601	1.9
136.08826	7.6
137.09633	6.2
143.08534	3.7
147.08049	1.8
149.09677	1.8
151.07564	3.1
152.56456	1.5
157.10101	5.6
161.06009	8.6
161.09605	1.7
164.08340	19.0
165.09123	47.4
169.10515	1.7
169.21165	1.8
171.08136	2.1
174.06808	3.2
175.07530	13.6
175.11218	2.5
176.08348	16.8
177.09067	9.2
185.09590	2.5
187.07570	2.0
188.08337	11.5
189.09116	21.2
190.09924	4.3
191.10616	3.8
201.09056	1.7
202.09848	4.7
203.10678	58.8
204.11426	14.0
205.12263	9.6
217.12254	22.7
309.35004	1.7
426.34882	8.3
444.36005	100.0
445.36292	2.9
476.38116	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03182	3.3
53.03940	12.0
53.20772	2.6
55.01866	11.0
55.05259	2.8
55.05513	45.2
55.96132	3.1
57.03431	15.6
57.07061	3.2
65.03927	5.8
67.05508	66.6
69.03419	6.7
69.07065	20.8
69.35731	25.0
71.05001	8.1
73.06567	2.8
76.08614	2.9
77.03964	3.2
79.05045	5.9
79.05493	78.0
81.03419	96.5
81.07059	79.8
83.04986	30.9
83.08620	31.3
85.02906	23.5
85.06522	5.6
91.05484	100.0
93.07048	47.7
95.04974	34.9
95.08611	25.5
97.02885	8.3
97.06540	10.1
97.10165	25.8
98.97573	3.0
99.08095	2.7
105.06367	5.3
105.07037	59.5
107.04971	32.4
107.08588	25.3
109.06528	11.2
109.10168	13.0
111.04438	5.0
111.08062	13.6
113.06005	3.6
115.05430	5.3
117.07031	11.8
119.08569	39.8
121.06512	16.7
121.10159	13.4
123.08066	4.5
123.11716	11.6
125.09650	17.3
128.06239	5.0
129.07022	40.4
131.08572	31.1
133.06496	12.7
133.10127	39.6
135.08067	8.8
135.11684	6.3
137.06018	3.1
137.09575	5.0
141.06984	6.2
142.07816	6.5
143.08588	8.2
145.06512	9.8
145.10130	11.8
147.08073	10.9
147.11664	29.0
149.09639	11.7
149.13356	2.9
153.09155	3.8
155.08559	5.2
157.10141	29.7
159.08067	3.7
159.11746	3.3
161.06024	3.4
161.09636	4.4
161.13251	3.0
163.11183	5.4
163.14894	2.5
165.09200	3.2
165.12718	4.2
171.11673	6.4
175.11205	24.6
189.11217	7.1
189.12741	5.5
193.12233	64.6
197.13191	2.8
199.11272	4.4
211.13293	38.5
215.14226	3.3
217.12340	5.0
217.77553	3.0
227.12689	6.3
233.15367	5.0
249.14809	3.0
251.96704	2.8
261.14746	3.1
261.25287	2.7
267.15887	48.5
273.14923	6.2
279.88501	2.6
291.16086	5.5
313.76953	2.9
339.23120	5.8
348.31290	2.5
349.21533	7.6
357.24237	4.8
358.40231	2.6
367.22549	18.5
385.23764	31.3
403.24826	8.8
459.27390	62.3
477.28424	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.24887	0.5
54.30898	0.5
55.05514	8.9
57.03444	7.3
57.07066	1.0
65.03921	1.3
65.84209	0.5
67.05505	27.9
68.75124	0.6
69.07069	7.7
69.94014	1.6
69.94412	1.3
79.05054	0.8
79.05491	14.9
81.07058	24.7
83.04979	0.7
83.08592	2.1
85.06529	0.7
91.05483	7.9
93.07047	17.1
95.05014	1.2
95.08612	22.1
95.09229	1.1
97.06519	1.1
97.10127	0.6
99.26184	0.5
103.30009	0.5
105.07021	5.6
107.08592	8.3
109.06495	0.6
109.10156	7.2
117.07005	1.3
119.08591	4.2
121.06488	0.7
121.10149	7.2
123.08052	0.7
123.11691	1.8
124.01582	0.7
131.08559	3.4
133.10104	2.9
135.11713	3.6
145.10136	1.4
145.95201	0.5
147.11661	1.6
149.13283	1.6
161.13251	1.0
163.14914	0.7
173.13202	1.4
216.06374	0.8
261.22134	0.9
304.26379	2.1
335.25800	100.0
411.84656	0.6
477.15451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75030	1.6
53.03940	3.1
55.01852	3.4
55.05519	10.4
56.96553	6.0
57.03422	2.9
57.07074	2.3
61.02911	2.4
67.05492	12.9
68.05826	1.8
69.03416	7.6
69.07072	18.0
70.06509	1.5
71.04992	16.4
71.61665	2.5
73.02890	2.6
79.05479	12.7
81.03423	8.1
81.07056	22.2
81.40998	1.9
83.04973	5.4
83.08600	6.7
83.36191	1.5
85.02406	2.6
85.02905	34.9
85.06521	1.9
85.15871	1.5
87.00816	5.0
91.05451	10.4
93.07040	21.2
94.07341	2.9
95.04948	1.7
95.08605	33.1
96.08923	2.8
97.02892	12.1
97.10164	3.5
98.97568	13.7
99.04469	5.3
105.01846	5.7
105.07033	21.4
107.04907	2.8
107.08604	29.7
108.08938	3.5
109.02888	4.9
109.06525	3.3
109.10151	16.6
110.97532	2.9
111.04462	2.6
115.03914	3.7
116.32410	1.6
116.98602	4.9
117.06992	3.3
119.08576	18.3
121.06473	2.6
121.10145	34.8
122.10460	2.6
123.04437	2.0
123.08097	2.5
123.11695	6.2
125.09615	2.6
127.03902	8.6
128.98592	5.2
129.05481	5.2
129.07063	1.8
131.08553	3.4
133.10117	8.6
134.77457	1.9
135.08098	1.8
135.11691	15.4
137.09627	5.1
137.13245	2.1
143.00131	1.8
145.02766	1.9
145.04941	5.1
145.10129	5.0
146.99654	2.8
147.06564	1.8
147.08073	1.6
147.11671	7.8
149.13255	7.1
151.07542	3.3
157.10106	2.6
158.67070	1.6
158.99641	5.8
159.02878	3.2
159.11688	4.7
160.52005	1.8
161.09605	1.8
161.13254	3.9
165.09085	20.4
166.09404	7.9
167.06961	7.8
170.99611	5.4
172.32961	1.9
173.13202	2.2
175.14821	35.9
175.16277	1.3
177.00749	2.9
177.05450	2.9
177.16389	100.0
181.04976	2.3
187.14832	3.4
189.00688	3.1
191.17914	1.8
193.15854	10.7
199.14792	2.7
205.19632	2.8
211.16936	3.0
219.01755	4.4
221.03221	2.1
224.41464	1.8
231.01669	3.8
231.05125	3.1
233.08170	2.6
237.02817	4.2
245.05186	3.8
245.07961	4.2
291.03915	2.4
326.18118	2.1
371.08633	1.9
385.23666	1.9
407.08658	2.6
451.42749	2.2
458.25504	2.7
476.27200	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
56.96564	1.4
57.07067	2.2
58.08545	1.1
67.05507	6.7
69.07064	8.1
69.34172	2.8
69.34588	7.8
73.84599	1.4
79.05489	2.1
81.07055	7.5
85.02877	3.2
85.06541	1.3
91.05466	4.5
93.07037	4.3
95.04964	1.8
95.08611	21.3
97.06537	2.5
99.04456	1.5
102.50623	1.2
105.07037	9.1
107.08588	5.0
109.06500	2.9
109.10162	26.0
110.10510	1.7
119.08585	44.0
119.09451	2.1
121.10142	3.3
122.10497	1.2
123.08044	2.1
123.11698	1.8
131.08563	2.1
133.10129	47.8
135.08052	1.5
135.11713	9.4
136.07579	1.7
137.09628	8.6
142.06573	1.1
144.93076	1.1
145.10110	4.1
147.11693	10.8
149.13277	3.2
151.07550	7.8
151.14772	3.5
152.07881	4.4
160.12448	1.9
163.03972	1.2
165.09152	3.0
173.13268	1.8
175.14833	100.0
176.15230	1.3
191.10672	3.3
192.10927	1.3
193.14177	1.8
193.15898	28.9
205.12209	2.2
210.15695	2.9
228.16811	1.4
303.12970	1.2
308.31656	1.4
386.13190	1.2
476.21591	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75030	1.6
53.03940	3.1
55.01852	3.4
55.05519	10.4
56.96553	6.0
57.03422	2.9
57.07074	2.3
61.02911	2.4
67.05492	12.9
68.05826	1.8
69.03416	7.6
69.07072	18.0
70.06509	1.5
71.04992	16.4
71.61665	2.5
73.02890	2.6
79.05479	12.7
81.03423	8.1
81.07056	22.2
81.40998	1.9
83.04973	5.4
83.08600	6.7
83.36191	1.5
85.02406	2.6
85.02905	34.9
85.06521	1.9
85.15871	1.5
87.00816	5.0
91.05451	10.4
93.07040	21.2
94.07341	2.9
95.04948	1.7
95.08605	33.1
96.08923	2.8
97.02892	12.1
97.10164	3.5
98.97568	13.7
99.04469	5.3
105.01846	5.7
105.07033	21.4
107.04907	2.8
107.08604	29.7
108.08938	3.5
109.02888	4.9
109.06525	3.3
109.10151	16.6
110.97532	2.9
111.04462	2.6
115.03914	3.7
116.32410	1.6
116.98602	4.9
117.06992	3.3
119.08576	18.3
121.06473	2.6
121.10145	34.8
122.10460	2.6
123.04437	2.0
123.08097	2.5
123.11695	6.2
125.09615	2.6
127.03902	8.6
128.98592	5.2
129.05481	5.2
129.07063	1.8
131.08553	3.4
133.10117	8.6
134.77457	1.9
135.08098	1.8
135.11691	15.4
137.09627	5.1
137.13245	2.1
143.00131	1.8
145.02766	1.9
145.04941	5.1
145.10129	5.0
146.99654	2.8
147.06564	1.8
147.08073	1.6
147.11671	7.8
149.13255	7.1
151.07542	3.3
157.10106	2.6
158.67070	1.6
158.99641	5.8
159.02878	3.2
159.11688	4.7
160.52005	1.8
161.09605	1.8
161.13254	3.9
165.09085	20.4
166.09404	7.9
167.06961	7.8
170.99611	5.4
172.32961	1.9
173.13202	2.2
175.14821	35.9
175.16277	1.3
177.00749	2.9
177.05450	2.9
177.16389	100.0
181.04976	2.3
187.14832	3.4
189.00688	3.1
191.17914	1.8
193.15854	10.7
199.14792	2.7
205.19632	2.8
211.16936	3.0
219.01755	4.4
221.03221	2.1
224.41464	1.8
231.01669	3.8
231.05125	3.1
233.08170	2.6
237.02817	4.2
245.05186	3.8
245.07961	4.2
291.03915	2.4
326.18118	2.1
371.08633	1.9
385.23666	1.9
407.08658	2.6
451.42749	2.2
458.25504	2.7
476.27200	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	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01866	10.5
55.05513	4.1
56.96555	5.1
57.03434	27.3
59.05001	5.1
61.02927	20.9
67.05515	7.9
69.03432	39.2
69.07084	5.5
71.04993	12.4
73.02917	100.0
79.05484	10.0
81.03407	7.0
81.07041	8.8
83.04995	4.1
85.02414	5.6
85.02907	97.7
87.04456	6.6
91.03959	6.8
93.07018	6.9
95.04965	4.8
95.08609	11.3
96.03483	4.0
97.02901	66.1
97.06531	16.0
98.20782	8.4
98.97591	11.7
99.04436	5.5
100.11302	3.9
103.05555	3.0
105.07027	24.3
107.04953	3.8
107.08576	9.2
109.02898	7.0
109.06511	3.9
109.10155	11.0
110.97577	4.3
111.04425	5.0
115.03937	36.7
116.98656	4.0
118.89455	3.6
119.08572	9.6
121.10119	6.8
122.64397	3.1
123.11705	5.4
127.03926	28.8
129.05496	9.6
130.06596	3.9
133.04976	44.0
133.06511	26.0
133.10149	7.4
136.07574	5.0
137.05978	32.1
137.09587	6.9
145.04967	35.0
145.10219	5.5
147.06506	4.9
150.07631	6.0
151.07542	8.7
151.97098	3.1
154.08707	4.6
163.03941	5.5
163.06053	7.9
165.09125	83.9
166.09474	12.0
167.07065	8.6
173.08112	6.6
177.09059	6.0
189.09125	4.0
201.09129	6.4
215.07040	8.1
219.01898	4.7
219.10020	4.2
223.05980	4.8
237.02846	3.7
241.07124	8.3
259.09863	20.5
261.11304	4.4
313.16928	5.3
397.18787	5.2
404.48642	4.1
457.21310	5.8
476.22305	21.3
476.27762	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	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09434	0.3
53.03932	1.5
59.71840	0.4
68.55431	0.3
69.03430	2.8
70.85192	0.3
71.04984	4.3
73.02903	0.7
79.05494	0.3
79.84348	0.3
81.03403	2.1
81.07072	0.4
83.04986	0.8
85.02902	3.4
86.09694	0.6
86.71191	0.4
87.04458	0.5
89.06030	19.2
91.05476	0.6
93.07033	0.4
97.02894	9.6
98.97585	0.5
99.04436	1.2
103.05468	33.6
105.07027	1.3
107.04992	0.6
108.04449	1.3
109.02887	3.0
124.69810	0.3
127.03914	3.9
131.04924	100.0
132.05241	0.6
133.06494	0.7
135.06503	1.0
137.05920	0.5
145.04955	3.6
158.99663	0.5
161.06001	0.8
163.07538	46.5
167.07068	0.6
173.90312	0.4
183.13699	0.4
193.08612	1.0
261.09784	1.0
466.25925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01870	9.1
55.05508	7.6
57.03419	11.3
61.02915	10.4
67.05489	14.4
67.92722	5.6
68.99764	5.4
69.03434	38.9
69.07050	22.2
71.04980	13.5
71.62077	8.4
81.03411	29.9
81.07042	17.7
83.04969	6.8
83.08624	8.2
85.02905	100.0
85.14758	4.5
87.00830	42.8
93.07037	7.2
95.08630	37.1
97.02902	36.2
97.10117	4.9
99.04459	8.7
105.01874	73.0
105.06995	11.2
107.08576	19.5
109.02885	34.3
109.10159	66.3
110.10517	4.6
119.08620	35.3
121.10146	26.5
123.08056	15.2
123.11732	12.5
127.03917	59.1
131.24487	4.5
132.78186	5.9
133.10147	21.3
133.96977	4.6
135.11703	42.7
137.05975	6.7
137.09612	28.4
139.11131	5.0
145.04980	23.0
149.13225	7.0
151.07523	19.3
151.11211	7.1
151.14812	7.5
159.02901	6.1
163.61696	4.6
165.09093	40.3
165.16440	6.3
166.09479	7.7
166.50597	4.9
175.14827	44.2
193.15927	57.2
205.12346	7.8
211.16945	41.2
213.03835	7.9
231.05037	17.8
408.61145	4.7
421.09570	5.4
494.51172	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	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.96564	1.4
57.03411	2.1
59.05003	1.3
67.05489	4.4
69.03427	12.9
69.44170	2.1
69.44580	7.1
71.04992	1.4
79.05482	1.4
81.03425	1.6
81.07030	1.3
83.04982	3.3
85.02899	14.8
86.09679	2.7
87.04466	3.3
91.05474	3.8
93.07065	1.8
95.04958	10.6
95.08595	5.6
97.02890	8.6
98.21429	2.4
98.97565	1.5
105.07027	4.7
107.04898	1.2
107.08574	3.8
111.04427	11.0
115.03908	3.1
117.07063	1.5
119.04914	2.4
119.08570	6.1
121.06483	3.0
123.04457	2.7
123.08066	55.7
127.03838	3.0
127.51905	1.2
128.06189	2.0
129.07018	2.2
131.08551	4.1
133.04953	3.8
133.06523	1.6
133.10132	2.6
135.08057	5.2
141.06992	1.9
143.08569	8.2
145.04980	2.7
145.06419	1.6
145.10126	4.1
147.04424	13.1
147.08040	2.2
154.07692	1.4
155.08546	3.3
156.09352	20.1
157.10146	2.9
158.07326	1.5
159.08058	3.9
159.11696	4.4
161.05997	2.0
161.09630	3.0
165.05444	6.5
165.06749	1.4
166.07715	1.7
166.23941	1.4
167.07112	1.6
169.06435	1.5
169.10081	2.2
171.11687	18.1
172.08824	2.5
173.09566	4.0
173.13245	2.1
175.07632	2.0
179.03368	3.2
181.10052	3.4
184.08823	4.1
187.11171	7.8
189.12772	6.7
197.05936	2.2
197.09615	5.3
199.11182	58.1
199.13052	2.9
205.26828	1.3
207.06532	2.5
215.10710	15.0
217.12254	39.7
233.11662	3.0
243.06520	2.2
243.10266	5.1
261.11227	100.0
262.11569	1.7
279.09070	2.1
279.12253	15.0
445.92865	1.4
476.21759	5.0
477.19467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
53.18772	2.8
55.01868	7.8
56.96552	2.9
57.03440	32.5
59.04989	4.7
61.02935	18.7
69.03074	5.3
69.03429	79.9
70.84788	3.7
70.85140	6.2
71.01353	4.3
73.02916	91.2
79.05450	3.8
79.62664	2.7
81.03417	9.3
81.07018	5.9
83.04955	4.3
85.02905	100.0
87.04473	34.4
90.16370	2.5
95.08611	3.0
97.02895	85.6
98.97560	3.3
99.04457	2.8
100.21282	2.5
105.07029	20.3
109.02878	7.2
115.03928	91.3
124.05206	8.1
127.03922	22.6
133.04974	90.8
133.06471	20.3
137.05978	37.1
137.09595	5.6
145.04970	29.5
150.07585	10.5
163.06009	9.9
163.19290	2.5
165.09103	70.7
166.09441	3.5
169.05034	3.2
173.08064	4.3
177.09097	4.6
180.08670	3.1
188.82706	2.9
189.09053	5.7
200.89333	2.7
201.09079	4.1
207.10138	4.3
209.15344	7.3
223.05978	7.7
229.09468	2.7
231.10170	3.0
241.07050	7.2
243.10321	3.8
259.08179	7.8
261.11081	4.4
294.11841	3.2
311.07761	3.0
427.16205	3.4
440.31046	2.7
487.11600	2.9
489.99551	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50078	0.8
51.22406	0.9
53.03939	1.0
57.03434	8.0
59.04992	1.5
61.02927	0.9
65.03918	0.8
67.65633	0.8
69.03429	28.9
71.04992	1.2
71.61476	1.4
72.08144	2.5
73.02917	1.3
81.03403	1.9
81.86479	0.8
83.45217	0.8
85.02406	1.6
85.02901	19.6
86.09691	1.8
87.04469	21.1
87.26401	0.8
91.03916	1.1
91.05486	4.3
97.02893	26.3
98.97568	2.0
99.04427	1.2
115.03934	33.7
119.04951	15.9
123.04436	2.0
127.03924	2.6
130.06577	1.3
131.04953	1.1
133.04962	31.3
133.06476	2.0
143.04887	1.4
145.04948	1.9
147.04408	100.0
150.07605	4.8
159.07895	0.8
161.05980	1.3
165.05478	47.2
171.04381	2.4
189.05443	6.9
207.06554	7.2
241.07149	1.2
243.06561	2.9
259.08087	1.2
261.07532	1.7
279.08618	4.7
476.22333	1.0
478.34061	0.9
488.07617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03442	7.7
59.04999	1.6
60.04533	0.8
61.02905	0.7
69.03435	28.9
70.68658	1.5
71.04973	0.7
72.08148	0.6
73.02934	1.1
75.04485	0.7
79.05492	0.7
81.03448	0.8
85.02910	17.7
86.09727	1.1
87.04475	19.9
91.05486	5.5
97.02269	1.3
97.02899	25.7
98.97584	1.0
100.28223	0.6
104.10046	0.7
105.06982	0.6
115.03938	30.7
119.04947	16.9
123.04419	1.3
127.03918	2.5
133.04973	31.2
135.60681	0.6
143.04968	0.7
145.04941	2.1
147.04417	100.0
148.04820	1.5
150.07616	5.4
159.04436	0.8
161.05995	1.6
165.05490	53.6
171.04395	2.2
189.05475	6.2
197.05965	0.6
201.05489	0.9
207.06555	8.7
213.05530	0.8
225.05498	1.1
229.87532	0.7
232.07930	0.7
240.46672	0.6
241.07066	0.9
243.06508	3.6
250.59439	0.7
259.08212	1.1
261.07736	1.7
276.89047	0.6
277.09445	0.7
279.08633	5.6
303.86664	0.6
309.09534	0.6
468.36728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
55.01866	1.6
55.05509	2.0
57.03428	2.6
67.05493	3.2
69.03426	13.5
69.91227	4.9
70.46657	1.2
72.08116	1.4
73.02911	1.8
74.06059	1.4
79.05489	2.2
81.03413	2.6
81.07044	2.4
83.04971	3.4
85.02900	16.8
86.09701	2.6
87.04445	4.2
88.91684	1.2
91.05475	4.7
93.07056	2.9
95.04959	14.3
95.08598	7.0
97.02876	8.3
98.21420	1.8
98.97567	3.1
105.07030	5.5
107.04948	1.7
107.08604	4.4
109.02889	2.0
111.04427	13.1
115.03945	5.8
119.04939	4.1
119.08582	7.1
121.06493	3.6
122.47288	1.3
123.04415	3.0
123.08062	52.8
127.03912	2.5
128.06197	2.1
129.06961	2.0
131.08572	4.2
133.04939	4.7
133.06467	2.3
133.10103	1.6
135.08080	2.8
139.03859	1.4
141.06990	3.4
143.08560	6.1
145.04962	2.6
145.06462	2.6
145.10130	4.1
147.04411	17.4
147.08037	2.9
147.11668	1.4
152.56419	1.4
156.09357	18.5
157.10158	2.1
158.10875	1.7
159.08032	2.9
159.11679	5.4
161.06030	2.4
161.09557	2.3
163.03818	2.4
165.05475	8.2
165.06650	1.4
166.07770	2.5
167.06972	1.9
169.06416	1.3
169.10100	2.9
171.11699	20.4
172.08865	2.6
173.09618	3.1
173.13222	3.7
175.07442	2.0
175.11180	2.9
179.03366	4.2
181.10123	3.0
184.08838	5.3
187.11139	5.7
189.05438	2.3
189.12822	5.8
193.08606	1.3
197.06027	1.6
197.09602	4.8
199.11180	64.5
207.06441	1.2
215.10632	15.6
217.12222	37.9
225.09073	1.7
233.11766	2.1
243.06436	2.2
243.10222	4.2
261.11212	100.0
279.08948	2.0
279.12259	14.3
314.10233	1.3
476.21686	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01873	8.8
57.03436	16.7
59.04995	1.9
61.02921	16.2
66.54012	1.4
69.03066	2.0
69.03426	29.9
71.01356	4.3
71.04975	1.3
71.30879	2.5
73.02915	100.0
74.54285	1.2
81.03410	6.6
81.07059	1.5
81.46402	1.4
83.05002	1.5
85.02904	71.3
87.04475	5.7
91.03944	2.6
91.77876	1.2
97.02269	2.9
97.02895	57.1
98.29532	1.2
98.97577	1.4
99.04439	3.4
103.03952	3.0
105.07027	7.5
109.02875	7.2
112.47224	1.3
115.03927	35.2
124.05216	12.3
127.03918	23.5
132.06583	1.4
133.04962	39.8
133.06458	7.5
137.05974	12.6
144.06630	3.2
145.04958	37.3
145.25613	1.4
150.07695	2.9
156.89920	1.5
157.06505	1.9
163.06009	12.0
165.09109	34.9
177.09076	2.1
187.07593	3.0
189.09148	3.6
193.04907	2.8
199.06013	1.8
201.09073	3.7
223.06042	5.9
231.10168	2.3
241.07106	6.6
243.10167	3.3
259.08102	4.5
261.11322	3.3
267.39288	1.2
277.09198	1.5
295.10428	1.3
400.87299	1.2
449.70993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.379
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.03943	2.2
55.01861	2.9
55.05511	9.7
57.07065	4.3
67.05514	14.5
69.03413	2.1
69.07075	12.2
71.04995	2.7
71.22669	3.4
79.05494	11.6
81.03418	1.9
81.07063	30.0
83.04978	2.3
83.08613	7.4
85.06534	3.2
91.05473	13.5
93.07055	24.1
94.07407	1.9
95.04980	3.0
95.08607	38.4
97.06528	10.8
97.10159	4.2
99.04468	1.8
99.08128	3.4
105.07034	27.2
106.07323	2.5
107.08601	38.8
108.08955	3.2
109.06480	3.8
109.10163	21.4
110.10434	2.8
111.08060	5.5
115.07568	2.4
117.07034	3.2
119.08585	36.6
121.06525	3.3
121.10146	27.9
123.08077	5.4
123.11719	12.1
125.09634	4.4
129.06964	2.3
131.08543	10.6
133.10139	34.9
135.11707	28.0
137.09618	3.2
137.13287	3.7
139.11336	2.2
141.09065	2.3
142.07867	1.9
143.08530	4.9
145.10139	15.7
146.10431	2.2
147.11685	34.6
148.12022	3.0
149.09639	2.8
149.13274	12.1
151.11151	3.2
153.12753	2.9
157.10168	7.7
159.11702	15.9
161.09721	2.2
161.13257	15.6
163.11212	2.0
163.14819	9.3
165.09175	2.4
165.12700	2.2
169.10132	2.1
171.11713	7.0
173.13295	10.3
175.11322	2.5
175.14851	9.5
177.12752	2.1
177.16408	6.1
183.11757	2.2
185.13174	5.2
186.29085	2.2
187.14847	8.8
189.12714	7.3
189.16396	21.3
191.14310	3.0
191.17952	4.4
197.13301	2.3
199.14801	5.1
201.16396	8.1
203.14326	2.5
203.17979	12.9
205.15919	3.0
207.17456	14.8
211.53790	1.8
213.16438	4.1
215.17941	7.3
217.15945	2.7
219.17497	2.9
225.16473	2.0
227.18010	2.5
231.17371	5.0
239.18082	1.9
245.19026	2.1
411.32599	6.0
421.34482	6.6
429.33676	19.3
431.97336	2.2
439.31375	3.6
439.36292	4.1
457.37103	100.0
458.36850	2.2
475.28455	2.7
475.34579	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	475.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
55.01858	6.3
55.05282	3.2
55.05511	30.6
57.03426	5.4
57.07075	3.6
58.21287	2.3
60.30312	2.2
61.32377	2.6
65.03947	2.7
67.05507	45.8
69.03420	7.9
69.07068	34.5
70.18327	3.3
70.18668	9.0
71.04979	5.8
71.08614	2.5
77.03889	2.9
78.20439	2.4
79.05495	49.5
81.03416	16.0
81.07059	73.6
83.01335	2.9
83.04980	22.0
83.08614	20.3
85.02888	4.6
85.06555	6.3
91.05486	53.9
93.07047	75.5
95.04961	17.8
95.08609	96.9
97.06532	11.5
97.10162	10.2
99.08095	5.6
105.06364	4.5
105.07034	61.0
107.04975	17.2
107.08595	86.5
109.06516	8.1
109.10156	55.5
111.04419	5.5
111.08095	7.6
113.09634	7.0
117.06989	12.5
119.07775	4.8
119.08587	73.1
120.08892	3.3
121.06512	6.7
121.09299	4.5
121.10145	71.0
123.04395	3.0
123.08051	14.6
123.11705	20.0
125.09636	7.0
128.06198	2.6
129.07039	13.4
131.08585	21.7
133.10136	60.3
135.08070	4.4
135.11697	52.9
137.06003	6.0
137.09621	6.7
137.13261	8.1
139.07576	4.3
142.07762	5.9
143.08554	8.7
145.10112	31.3
147.08031	6.6
147.11688	50.1
149.09593	8.8
149.13272	23.1
151.07513	4.5
151.11168	6.1
153.09174	5.0
153.12729	3.6
155.08618	3.5
157.10124	12.8
159.08165	3.1
159.11690	15.9
161.09616	5.2
161.13255	29.7
163.11140	19.5
163.14804	26.0
165.09145	12.4
165.12720	4.5
167.10716	2.9
169.10124	4.2
171.11707	12.1
173.09589	7.3
173.13242	11.9
175.11186	10.9
175.14792	17.4
177.09148	2.7
177.16394	11.5
179.10675	4.2
179.14301	4.0
181.10161	3.3
183.11661	4.0
185.13293	8.0
187.11127	3.4
187.14825	13.4
189.12764	7.4
189.16403	39.7
191.10594	2.9
191.14313	3.1
191.17953	65.6
193.12265	13.9
195.13803	2.8
197.13345	3.7
199.11203	4.5
199.14822	5.8
201.16364	18.6
203.14331	5.7
203.17975	48.9
205.12219	3.2
205.15845	5.1
205.19559	4.1
207.17433	9.1
212.13164	2.7
213.16412	2.8
215.17879	6.3
217.12325	3.9
217.15865	5.6
217.19582	13.0
221.18980	4.0
227.12694	4.0
229.19672	4.0
231.13823	2.9
231.17386	7.1
231.21078	6.7
233.15414	3.1
235.17012	4.9
241.15858	4.4
247.16887	2.9
249.18394	17.7
262.20779	2.7
263.56625	3.0
271.24005	3.2
315.40103	2.6
356.25668	2.5
383.22159	13.8
393.35135	10.4
395.36594	3.1
401.23087	6.9
411.32037	2.7
411.36325	20.1
421.35034	6.4
429.37457	23.9
439.35956	100.0
440.35693	3.1
457.26041	6.8
457.33188	10.5
475.26938	35.2
475.34183	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	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05503	1.3
57.03411	0.3
57.07066	0.6
63.91700	0.3
67.05507	5.3
69.03422	0.8
69.07063	1.8
71.04980	0.6
71.61230	0.3
75.70889	0.3
79.05501	1.4
81.03410	0.4
81.07060	6.6
83.04973	0.9
83.08607	0.4
85.02884	0.6
85.06519	0.5
88.23103	0.3
91.05484	1.5
93.07060	1.7
95.04974	0.6
95.08608	6.0
97.06539	0.6
98.97574	0.5
101.06020	0.8
102.30540	0.3
105.07014	0.9
107.04965	1.1
107.08590	2.2
109.06498	0.4
109.10156	6.9
111.08054	0.4
111.11707	0.4
113.09631	0.3
119.08588	3.1
121.10144	1.1
122.07307	2.0
123.08081	0.5
123.11717	1.6
123.88184	0.3
125.09621	0.3
127.03817	0.3
129.05513	0.5
131.08582	0.7
132.48721	0.3
133.10086	0.8
134.76163	0.3
135.04442	0.5
135.08080	0.6
135.11732	0.7
137.09618	12.1
137.13289	0.6
145.10103	0.4
147.11725	0.5
149.09601	1.9
149.13214	0.9
151.07556	1.2
151.14801	0.5
153.09167	0.5
156.86873	0.3
157.10182	0.3
159.11649	0.4
162.63065	0.3
163.11182	0.6
163.14789	0.5
165.09119	100.0
166.09485	0.8
167.07030	0.6
175.11154	0.5
177.09100	1.0
179.10735	0.8
187.11217	0.5
189.09160	0.7
189.16429	0.4
190.09914	0.5
191.10709	1.1
191.18027	0.5
203.10570	0.6
205.12259	5.6
231.13614	0.3
259.24191	0.4
323.25830	1.1
372.57001	0.3
422.22568	0.3
429.33475	0.9
475.22122	1.9
475.34036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15868	6.4
51.52849	8.0
55.01843	7.1
55.05510	29.0
57.07070	16.7
63.03621	6.8
64.51083	8.4
67.05507	46.4
69.07069	41.1
69.44695	16.7
69.45106	41.2
75.82971	6.3
79.05489	41.2
81.07055	80.4
83.05018	7.8
83.08613	25.6
87.31348	7.9
91.05492	28.6
93.07050	61.1
95.04974	14.1
95.08609	100.0
95.49562	6.4
97.06525	9.8
97.10166	10.7
104.23035	7.3
105.07027	47.2
107.08604	85.8
109.06496	15.2
109.10180	54.4
111.08100	6.9
116.15718	8.1
117.07022	20.3
119.08588	71.2
121.06477	11.8
121.10138	72.7
122.10510	8.3
123.08092	13.2
123.11691	36.0
130.69174	6.9
131.08597	19.6
133.10147	50.2
135.08118	7.7
135.11699	58.7
143.08592	14.0
145.10147	32.7
147.11723	32.2
149.09599	9.3
149.13254	29.7
152.06140	7.0
156.96974	7.4
157.10143	23.5
159.11696	22.9
161.09599	8.2
161.13295	30.5
163.14822	21.6
171.11742	9.2
173.13269	22.0
175.14839	21.8
177.16376	15.7
181.12227	20.7
187.14850	22.8
189.16354	36.9
191.14284	10.8
191.17966	28.6
201.16496	15.6
203.18008	16.8
205.15971	7.7
207.17445	52.5
207.25858	8.4
213.16348	8.0
215.18045	13.5
219.17496	7.3
229.19485	11.1
231.94772	7.9
338.53775	7.8
411.32471	12.8
421.30624	11.1
429.33676	14.8
439.36462	34.1
457.32355	13.7
457.37735	10.8
475.29486	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72224	3.1
53.03941	5.5
55.01862	5.2
55.05510	20.8
55.34111	3.0
57.03444	21.7
57.07081	44.9
58.06081	3.7
61.02928	59.3
67.05512	33.0
69.03439	32.0
69.07065	25.7
71.01360	8.0
71.04972	7.0
71.08638	35.9
71.62280	3.0
73.02921	25.9
79.05491	14.2
81.03425	15.8
81.07057	53.1
83.05006	5.2
83.08622	25.0
85.02910	52.8
85.10198	21.7
91.03969	35.1
91.05476	12.0
93.07052	26.4
95.04957	5.4
95.08614	70.7
97.02894	48.9
97.06519	6.0
97.10173	12.2
99.04466	12.2
99.08104	3.5
101.02374	8.8
101.33913	3.1
103.03949	6.5
105.07024	26.5
107.05005	3.1
107.08596	33.3
109.02866	13.9
109.06551	5.4
109.10165	36.5
111.08076	6.9
115.03952	3.5
119.08588	31.3
121.10137	37.0
123.08061	6.1
123.11717	21.7
125.09663	7.4
127.03938	23.9
129.05496	4.5
131.08582	9.1
133.10153	24.0
135.11694	20.6
137.09602	5.6
137.13258	10.3
143.08557	6.9
145.04936	7.9
145.10103	16.5
147.11682	14.5
149.09538	4.6
149.13252	12.7
151.07573	3.9
151.14819	3.4
157.10184	6.2
159.11732	13.0
161.09628	4.0
161.13274	11.2
163.11217	10.2
163.14896	5.0
165.09114	16.3
165.12791	6.1
168.68877	3.3
171.11732	5.9
173.13248	5.8
175.14856	8.8
177.16382	5.7
183.06613	4.4
185.09375	3.3
185.13155	4.9
187.14886	7.1
189.16406	11.7
191.14343	5.1
191.18008	6.4
193.15944	4.6
199.14816	5.6
201.07576	7.6
201.16368	9.2
203.18013	5.8
211.14862	4.5
213.16342	4.3
215.14241	4.3
215.18100	4.0
223.17009	3.6
237.14784	7.4
239.23715	29.0
249.18503	8.4
257.18994	4.3
273.22083	3.4
305.04303	3.5
313.27356	100.0
330.23358	3.6
355.28424	3.9
421.34930	4.3
429.33716	6.3
439.35669	13.0
457.32468	10.7
457.37399	5.8
475.34357	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01859	10.2
55.05508	44.8
57.03428	6.6
57.07071	3.3
65.03921	3.4
67.05504	48.9
69.03418	7.1
69.07070	22.1
71.04978	5.6
79.05497	42.5
81.03411	30.9
81.07053	48.7
83.04961	11.0
83.08608	18.5
85.02905	3.4
85.06507	2.6
89.79602	2.5
91.05479	42.1
93.07047	36.9
95.04961	22.0
95.08607	36.3
97.06509	9.2
97.10181	19.4
98.69398	2.5
105.07027	38.4
107.04968	19.4
107.08598	34.0
108.90202	2.3
109.02880	6.0
109.06518	8.6
109.10149	28.0
111.04411	2.7
111.08091	5.0
115.05479	3.2
117.07027	15.5
119.04919	5.8
119.08563	29.4
121.06496	9.3
121.10145	20.4
123.04426	4.5
123.08073	11.6
123.11684	8.9
125.02340	4.7
125.09647	16.3
128.06209	3.9
129.06990	16.2
131.04935	7.6
131.08560	20.2
133.06488	9.9
133.10118	20.5
135.04356	3.6
135.08041	9.8
135.11697	15.2
136.40833	2.8
137.05972	3.9
137.09615	5.2
141.06982	7.1
142.07721	2.8
143.08534	10.2
145.06499	13.4
145.10088	21.7
147.04407	8.7
147.08022	12.1
147.11684	14.1
149.05969	4.9
149.09589	7.4
149.13255	6.1
151.07526	3.3
153.09018	3.6
155.08565	5.0
157.06433	3.8
157.10112	13.4
159.08046	6.0
159.11664	11.0
160.05109	5.0
161.05960	20.9
161.09613	9.4
161.13243	5.5
163.11163	15.0
163.14847	4.9
165.09119	3.3
167.08470	3.0
169.06497	4.5
169.10121	7.5
171.08008	6.1
171.11670	7.2
173.06029	5.5
173.09566	9.7
173.11794	3.1
173.13242	7.9
175.07515	5.5
175.11078	3.4
177.09125	3.4
181.10106	3.3
183.08008	3.4
183.11670	5.8
185.09605	4.2
185.13254	7.7
187.07553	6.7
187.11230	4.8
187.14816	4.9
189.09122	5.4
189.11200	8.6
189.12701	3.6
189.16400	10.3
191.10690	4.5
191.17906	7.2
192.18445	2.7
193.10167	2.8
193.12254	8.7
195.11717	3.4
197.13257	2.9
201.12796	3.4
201.16373	2.8
205.12204	5.0
207.17372	4.3
211.11237	6.9
221.09422	3.2
225.12759	3.4
227.12648	4.3
231.13811	9.3
243.13773	4.1
251.14473	2.6
257.15527	3.8
269.15350	3.7
271.13174	3.0
273.14914	7.1
285.14832	2.7
287.16403	3.6
289.14389	18.4
303.16052	4.6
337.21585	5.0
347.20093	3.6
355.22620	9.8
365.21277	17.6
383.22131	89.5
401.23227	33.7
419.24811	3.7
431.24191	8.3
439.24673	11.3
439.31967	4.3
445.25217	2.9
457.25888	53.4
457.32956	9.8
475.26807	100.0
475.33066	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	475.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01850	3.9
55.05512	13.2
57.03424	2.4
57.07069	1.3
65.98360	0.9
67.05506	15.7
69.03412	2.3
69.07062	3.7
69.70291	5.6
79.05492	14.5
81.03414	6.5
81.07062	11.4
83.04970	2.9
83.08609	5.6
85.02897	1.3
91.05482	10.5
93.07040	8.9
95.04971	7.0
95.08618	9.4
97.10171	7.4
105.07041	9.0
105.65307	1.0
107.04932	4.8
107.08591	6.1
107.74949	0.9
109.02848	3.5
109.06491	2.1
109.10188	5.4
111.08095	1.6
111.09096	0.9
115.05431	1.1
117.07001	4.3
119.04934	2.1
119.08593	5.8
121.02876	1.2
121.06478	5.0
121.10107	2.6
123.04449	1.9
123.08071	3.9
125.02332	2.2
125.09641	5.8
127.58221	0.9
128.06256	1.7
129.06998	4.4
131.04893	3.4
131.08569	6.8
133.06477	4.5
133.10118	2.9
135.04405	1.5
135.08044	2.3
135.11662	1.9
141.06975	3.1
142.07706	1.1
143.08527	3.7
145.06479	6.1
145.10098	4.4
147.04398	2.6
147.08020	4.1
149.06017	1.3
149.09584	2.3
153.09065	1.4
155.08546	2.3
157.06474	2.3
157.10101	3.1
159.04518	1.3
159.08057	3.4
159.11703	1.2
160.05165	1.7
161.05962	11.3
161.09601	1.4
163.11150	3.7
165.07095	1.1
165.09088	2.4
169.06538	2.2
169.10146	2.3
171.08052	3.1
173.05969	1.9
173.09586	4.0
173.11768	1.3
175.07455	1.7
175.11127	2.5
179.08466	1.3
181.10010	1.0
183.07916	1.4
185.09686	1.4
185.13161	1.0
187.07585	2.0
189.09167	1.9
189.11212	2.0
191.10654	1.6
193.12177	2.3
195.11658	1.1
197.09601	2.2
197.13326	1.4
199.11151	1.3
211.11298	2.1
213.12807	1.1
225.12679	2.0
227.10703	1.3
227.12753	1.7
231.13773	1.5
233.32977	1.0
237.11021	1.5
243.13666	1.4
249.14864	1.2
251.14577	1.2
253.12375	1.5
269.15433	3.2
271.13293	3.2
273.14807	3.9
285.14722	1.3
289.14380	7.7
337.21945	2.0
353.02026	1.0
355.22556	3.3
365.21109	8.7
383.17273	1.7
383.22198	34.8
384.22427	1.2
401.23300	15.1
403.22824	1.3
419.24066	2.7
421.23798	2.0
431.24442	2.5
439.24695	4.7
457.25885	22.2
475.25662	100.0
476.25934	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	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01868	9.1
55.05510	32.7
57.03428	6.8
57.07069	2.0
59.05000	2.8
65.03923	2.8
65.42613	1.5
65.43889	1.7
67.05506	39.7
69.03426	4.0
69.07079	15.0
69.69813	12.0
69.95725	1.7
71.04995	4.3
79.05494	42.1
81.03421	24.9
81.07059	38.9
83.04993	10.1
83.08622	17.9
85.02905	5.2
85.06588	2.5
91.05481	34.5
93.07050	29.4
95.04962	19.2
95.08607	22.5
97.02890	2.2
97.06551	3.5
97.10172	18.1
98.20734	3.2
98.97579	4.1
99.08096	2.0
103.05433	2.0
105.04533	2.2
105.07036	23.5
107.04944	20.4
107.08600	22.4
109.02904	6.6
109.06512	4.2
109.10150	12.9
111.04423	1.7
111.08075	6.0
115.05459	3.6
117.07023	13.0
119.04943	4.7
119.08572	22.0
121.06493	11.6
121.10141	10.7
123.04466	4.8
123.08073	7.8
123.11677	3.9
125.02337	2.7
125.09616	13.6
128.06248	3.7
129.06996	12.2
131.04935	5.3
131.08554	13.9
133.06487	9.6
133.10123	10.5
135.04433	3.4
135.08072	4.7
135.11653	8.5
137.06009	2.8
137.09625	4.3
139.07532	2.3
141.07007	5.6
142.07790	3.4
143.08601	7.3
145.05017	1.8
145.06490	11.0
145.10110	14.3
147.04431	5.7
147.08078	8.3
147.11710	7.1
149.09615	5.3
151.07529	2.6
151.11235	2.1
153.06956	3.9
153.09155	3.5
155.08582	6.3
157.06490	5.3
157.10152	7.8
159.08099	6.8
159.11719	5.8
160.05183	3.6
161.05997	23.2
161.09621	5.5
161.13283	1.9
163.11163	13.6
165.09172	8.2
165.12714	2.1
167.07092	2.3
167.08534	4.0
169.06506	3.1
169.10114	4.7
171.08086	5.7
171.11690	3.3
173.05975	5.2
173.09595	11.2
173.11797	2.2
173.13261	3.0
175.07483	3.9
175.11197	4.8
177.09134	1.7
177.12756	2.0
181.10152	2.8
183.08130	2.7
183.11752	7.1
185.09612	2.9
185.13187	4.5
187.07570	2.1
187.11182	2.2
189.09241	3.0
189.11220	6.5
189.16258	2.5
191.10669	4.7
193.10455	2.8
193.12148	10.2
195.08075	2.4
195.11739	4.8
196.50034	2.0
197.09641	3.9
199.11188	3.2
201.09096	2.3
201.12790	3.4
203.10788	2.2
203.14354	4.0
205.12230	3.4
209.11668	3.1
211.11240	3.2
213.12695	4.7
213.21967	1.7
215.10767	3.0
225.12714	4.2
227.12779	3.5
229.12201	4.3
231.13896	7.5
237.11038	2.4
243.13783	5.0
257.15457	2.1
265.14505	4.4
267.15900	2.5
269.15356	5.3
271.13318	7.7
273.14911	4.1
287.16565	3.0
289.14349	15.8
303.15988	3.9
337.21582	3.8
347.19943	2.8
355.22699	6.6
365.21155	13.4
383.22180	85.9
401.23212	33.3
421.23602	4.5
431.24298	5.9
439.24603	11.6
457.25824	59.1
457.31992	2.8
458.26447	2.2
475.26947	100.0
476.26917	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	475.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73791	2.0
53.03939	9.6
55.01878	17.8
55.05258	2.5
55.05510	35.4
56.96579	2.7
57.03435	8.9
57.07053	2.5
59.05005	5.5
65.03934	7.9
67.05161	4.5
67.05507	64.8
69.03423	5.3
69.07065	24.6
71.04997	15.4
71.36720	2.4
71.37035	2.6
79.05052	4.8
79.05497	80.8
79.61926	2.4
79.67132	2.6
80.82292	3.0
81.03426	37.2
81.07063	74.3
83.01342	8.3
83.04533	4.0
83.04986	45.6
83.08620	19.1
85.02922	5.5
85.06541	6.4
91.05488	100.0
93.07051	75.3
95.04977	25.0
95.08608	49.8
95.81651	2.4
97.02914	5.7
97.06510	14.6
97.10173	4.3
98.97600	3.2
99.04453	4.4
99.08104	3.8
103.05468	3.2
105.06377	4.4
105.07038	63.4
107.04942	30.3
107.08598	39.5
109.02858	2.7
109.06520	15.0
109.10171	21.7
110.58283	2.3
111.04448	6.4
111.08084	5.6
113.05976	2.6
115.05456	2.6
117.07017	16.0
119.07793	3.3
119.08595	47.6
121.06509	10.4
121.10141	30.6
123.04405	4.2
123.08073	14.3
123.11665	8.2
125.09616	6.3
127.07546	2.3
127.23188	2.2
128.06236	2.5
129.07011	18.6
131.04922	2.9
131.08589	29.2
133.06470	4.0
133.10141	55.4
135.08031	5.4
135.11700	27.4
137.09610	5.8
137.13228	3.6
139.07547	2.3
139.11217	5.7
141.06975	3.1
142.07780	4.6
143.08597	6.0
145.06520	2.6
145.10121	29.0
147.08043	9.0
147.11696	25.5
149.05954	3.2
149.09641	9.5
149.13263	9.6
151.07530	4.1
153.12753	5.4
155.08635	2.9
157.10139	30.6
159.11710	8.9
161.05949	2.6
161.09631	2.4
161.13243	7.4
163.07492	2.8
163.11198	40.9
165.09099	11.9
165.12715	4.1
169.10114	2.2
171.08124	2.8
171.11633	6.5
173.09621	7.1
173.13219	3.8
175.11168	19.4
175.14835	7.4
177.16347	2.6
181.12306	5.6
183.11789	3.8
185.13229	4.6
187.11128	2.3
187.14841	5.5
189.09071	3.6
189.12659	4.3
189.16391	9.5
190.98116	2.5
191.10687	9.0
191.17924	4.4
193.12254	28.1
197.13411	2.3
199.14822	5.7
200.81743	2.6
201.16335	6.2
203.14235	3.4
207.17409	6.6
209.11710	10.2
211.13202	5.4
213.12802	3.0
213.16376	3.3
217.12325	3.2
227.12711	12.2
229.19518	2.4
231.17638	2.5
249.14822	2.6
267.15930	4.9
283.15393	4.3
365.21133	3.0
383.22186	7.0
401.23331	3.3
439.31760	3.2
457.25412	12.9
457.32907	9.6
475.26733	72.5
475.33804	8.3
476.27344	3.3
497.37939	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	475.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01864	1.4
55.05512	5.7
57.03432	0.9
57.60732	0.6
67.05223	0.5
67.05507	6.4
69.03436	0.8
69.07052	1.9
69.34222	0.5
69.56202	1.9
69.56628	2.5
71.04985	0.7
79.05497	5.1
81.03410	2.4
81.07065	6.0
83.04962	1.2
83.08602	2.0
85.06512	0.8
91.05477	4.5
93.07059	5.5
95.04954	2.7
95.08598	4.0
97.10181	3.5
98.20782	1.2
98.97552	0.6
105.07040	4.6
107.04948	1.9
107.08596	3.3
109.02873	1.0
109.06568	0.8
109.10160	3.2
111.08033	1.0
117.06995	2.0
119.01872	0.8
119.08595	2.9
121.02824	0.6
121.06500	1.5
121.10113	2.1
123.04424	0.9
123.08021	1.3
123.11723	1.1
125.09620	1.9
128.06203	0.7
129.07004	2.0
131.04913	1.2
131.08536	2.3
133.06499	1.8
133.10088	1.5
135.08051	1.4
135.11714	2.0
137.09613	1.1
141.06978	1.0
143.08557	1.2
145.06479	2.2
145.10095	2.0
145.87764	0.7
147.04305	0.9
147.08098	1.4
147.11684	1.5
149.09601	0.8
151.07651	0.6
155.08549	0.8
157.10095	1.1
159.08032	1.4
159.11691	1.1
160.05199	0.9
161.05983	4.0
163.11176	1.7
165.09132	2.0
171.08046	0.7
171.11696	0.8
173.06097	0.7
173.09605	1.1
175.07527	0.7
185.13220	0.8
189.11234	0.9
193.12199	1.2
195.11732	0.9
197.09518	0.6
201.12671	0.8
205.12241	1.4
211.11070	0.8
223.14763	0.8
225.12889	0.8
229.12094	0.8
269.15350	1.2
271.13391	1.2
273.14865	1.2
287.16776	0.6
289.14371	3.1
303.15939	0.7
343.21091	0.7
355.22675	1.5
365.21194	2.4
383.17349	0.8
383.22192	13.8
401.23291	5.4
403.22220	0.7
421.23743	0.9
431.24234	1.1
439.24585	1.8
457.25717	11.0
475.25244	100.0
476.25443	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70872	0.6
55.05505	0.9
56.05036	0.8
56.96573	0.8
57.03427	2.0
59.93534	0.6
61.02915	1.2
67.05481	0.8
69.03433	3.5
69.07059	1.5
71.04986	1.7
71.61450	1.0
72.08143	2.3
73.02916	6.7
79.05492	1.5
81.03448	1.1
81.07061	2.5
83.04984	1.1
84.04507	1.2
85.02887	7.2
86.09721	5.2
87.04507	0.9
91.05503	1.6
93.07109	1.6
95.04971	2.1
97.02899	3.2
97.06549	1.0
98.97574	3.0
99.04475	1.0
102.05502	0.9
105.07039	1.5
107.04955	2.5
107.08591	2.4
115.03912	2.9
116.98626	1.0
119.08604	1.3
121.10143	1.7
122.22926	0.7
123.08070	1.0
125.05946	0.8
127.03849	1.9
128.98553	0.9
130.07823	0.7
133.04990	1.5
135.11636	0.8
137.05957	0.9
145.04961	1.9
145.10123	3.1
149.05960	0.7
149.09499	0.8
163.03947	1.5
163.11208	10.9
165.09125	0.9
165.12761	1.1
167.07042	2.0
175.11177	0.9
177.05562	0.9
181.12201	1.4
209.11476	8.4
213.06058	0.8
215.13885	0.8
219.01700	1.4
223.13306	1.0
227.12590	12.2
228.74907	0.7
237.02817	1.2
238.46875	0.7
245.06366	2.3
255.12105	1.8
269.10501	0.9
269.13550	0.8
271.06223	0.7
273.07654	1.0
289.05475	1.3
371.16528	1.8
389.17859	14.4
431.18909	39.9
447.12891	0.8
475.17834	100.0
476.18185	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	475.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94554	1.6
53.03930	4.7
55.01860	4.7
55.05507	7.2
57.03440	7.4
57.07066	2.1
59.05008	2.2
61.02915	3.9
65.03907	1.7
67.05503	7.5
68.99770	1.5
69.03133	1.2
69.03434	19.4
69.07064	6.6
71.04977	5.7
71.61665	2.2
73.02916	2.3
79.05502	9.5
81.03416	15.0
81.07063	18.9
83.04955	2.4
83.08605	7.9
85.02903	47.6
85.06535	6.3
87.00366	1.7
87.00834	23.4
91.05467	7.1
93.07046	11.1
95.04965	19.0
95.08603	22.0
97.02885	12.1
97.06535	33.3
99.04462	15.2
99.08074	3.2
105.01877	19.8
105.07036	21.9
107.04939	2.5
107.08594	22.4
109.02873	13.0
109.06518	55.9
109.10154	15.7
111.04435	2.2
111.08091	3.2
113.06007	3.7
113.09640	3.1
115.07573	8.4
117.06956	2.1
119.08579	16.0
121.10146	20.9
123.08079	14.3
123.11695	5.3
125.06007	2.7
125.09611	4.6
127.03915	23.5
127.07560	3.2
131.08569	14.5
133.10130	59.0
135.08052	9.5
135.11649	3.9
137.05927	1.7
137.09615	3.1
139.07446	1.6
139.11154	4.1
141.09111	3.6
144.09299	1.6
145.04912	7.5
145.10110	7.1
147.11693	34.5
149.13235	8.0
151.07542	30.0
151.11182	3.6
153.09113	21.8
158.10913	4.3
159.02882	5.4
159.11655	1.6
161.06004	2.0
161.13390	1.5
163.03912	3.8
163.11150	4.4
163.14803	9.3
165.09103	8.8
165.12761	7.8
167.06993	4.2
167.14265	1.8
171.10126	2.7
173.13268	30.8
175.14769	2.5
177.09068	2.4
181.04979	1.6
182.33080	1.6
183.13699	1.2
187.09605	3.9
189.12859	1.6
191.10718	7.7
191.14316	56.2
192.14674	7.1
205.12277	1.4
209.15369	100.0
225.14679	1.5
227.16420	50.6
231.05002	5.0
281.10172	1.5
333.07788	3.0
335.09409	4.7
463.13553	1.4
475.15137	2.6
475.21530	36.8
475.28659	1.8
475.31921	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	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	21.5
57.07066	50.4
67.05499	25.6
69.07052	29.0
70.29366	17.7
81.07043	46.7
91.05471	21.3
93.07045	44.8
95.08614	100.0
98.21486	52.2
100.54240	17.8
105.07032	35.5
107.08601	39.6
109.10136	47.6
119.08518	30.2
121.10124	30.2
131.08502	21.4
133.10062	20.1
135.11703	29.7
159.11676	33.1
161.13298	21.0
174.03134	23.1
229.14093	18.5
245.67491	20.6
250.06227	85.0
306.12430	72.1
362.19012	84.4
378.09515	19.1
418.24948	53.9
439.35632	56.7
474.35339	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	474.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26030	18.5
55.05503	22.5
57.07071	29.8
67.05479	24.7
69.07059	55.1
69.45771	96.7
69.46198	68.2
70.69651	23.1
81.07061	52.0
93.07053	50.9
95.08599	100.0
105.06990	20.3
107.08590	38.1
108.75694	21.0
109.10144	46.3
115.07581	31.7
121.10155	47.5
123.95370	22.5
127.91705	28.4
133.10170	26.1
140.85599	21.3
151.03696	27.8
159.56577	19.1
165.09113	63.8
166.09419	32.9
166.87477	20.1
186.40446	20.9
203.17859	21.7
250.06288	55.2
254.89694	20.9
306.12241	37.2
325.28787	31.6
362.18774	77.7
418.25046	34.2
439.35504	74.8
456.34921	26.9
474.32928	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	475.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84390	2.1
77.23715	0.8
85.02876	1.1
86.09685	1.0
91.71259	0.9
97.02868	1.0
112.38674	0.8
119.04933	0.7
125.61186	0.8
126.83894	0.8
135.04393	1.9
147.04384	2.0
151.03703	2.1
160.65646	0.8
163.03908	4.7
199.98686	0.9
201.74414	0.8
210.95476	0.8
258.06259	0.9
259.07745	1.3
266.11441	1.0
293.18494	0.8
313.08905	2.5
347.09430	7.5
381.06790	0.8
392.08502	0.8
447.14804	4.8
475.14240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70872	0.6
55.05505	0.9
56.05036	0.8
56.96573	0.8
57.03427	2.0
59.93534	0.6
61.02915	1.2
67.05481	0.8
69.03433	3.5
69.07059	1.5
71.04986	1.7
71.61450	1.0
72.08143	2.3
73.02916	6.7
79.05492	1.5
81.03448	1.1
81.07061	2.5
83.04984	1.1
84.04507	1.2
85.02887	7.2
86.09721	5.2
87.04507	0.9
91.05503	1.6
93.07109	1.6
95.04971	2.1
97.02899	3.2
97.06549	1.0
98.97574	3.0
99.04475	1.0
102.05502	0.9
105.07039	1.5
107.04955	2.5
107.08591	2.4
115.03912	2.9
116.98626	1.0
119.08604	1.3
121.10143	1.7
122.22926	0.7
123.08070	1.0
125.05946	0.8
127.03849	1.9
128.98553	0.9
130.07823	0.7
133.04990	1.5
135.11636	0.8
137.05957	0.9
145.04961	1.9
145.10123	3.1
149.05960	0.7
149.09499	0.8
163.03947	1.5
163.11208	10.9
165.09125	0.9
165.12761	1.1
167.07042	2.0
175.11177	0.9
177.05562	0.9
181.12201	1.4
209.11476	8.4
213.06058	0.8
215.13885	0.8
219.01700	1.4
223.13306	1.0
227.12590	12.2
228.74907	0.7
237.02817	1.2
238.46875	0.7
245.06366	2.3
255.12105	1.8
269.10501	0.9
269.13550	0.8
271.06223	0.7
273.07654	1.0
289.05475	1.3
371.16528	1.8
389.17859	14.4
431.18909	39.9
447.12891	0.8
475.17834	100.0
476.18185	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	474.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.0
56.96550	15.2
59.24000	4.9
61.02900	5.2
65.03931	9.9
67.05508	29.0
68.05828	5.7
69.03420	14.5
69.07057	20.6
69.26675	5.5
69.51057	34.9
70.06568	5.3
71.04985	4.8
73.02876	6.4
79.05476	16.0
81.07060	53.2
83.04953	5.9
83.08636	8.8
85.02898	20.8
85.06564	7.0
91.05470	26.2
93.07034	29.8
94.07324	8.2
95.04962	11.1
95.08611	55.8
96.08920	10.7
97.10194	7.9
98.97578	51.2
105.07042	29.4
106.07405	7.8
107.08581	34.3
109.06478	7.2
109.10181	29.4
110.97542	7.3
111.08047	6.6
115.36175	5.7
116.98587	10.5
117.07012	7.3
119.08587	49.4
120.08946	7.4
121.10120	29.0
123.07959	5.4
123.11707	12.8
125.09630	4.6
127.03954	5.9
128.98616	12.8
131.08527	19.0
133.10132	36.1
135.11694	21.0
137.09602	8.5
138.13452	5.1
143.08479	9.3
145.10117	33.5
146.10487	9.2
147.11665	26.0
148.12050	6.4
149.02318	23.3
149.13280	20.0
150.02634	11.0
151.07616	5.2
157.10161	10.5
158.99698	13.0
159.11696	17.7
160.12009	6.1
161.01196	5.9
161.13289	20.5
162.13690	7.0
163.07573	5.1
163.14749	12.2
165.09091	15.6
166.09410	8.9
167.06998	4.9
169.10126	9.1
170.99620	5.1
171.11687	5.8
173.13210	12.9
175.14821	10.1
177.00757	11.9
177.16354	7.5
178.16866	7.5
185.13190	14.9
187.14764	17.6
188.15134	14.5
189.00650	9.8
189.16335	22.1
190.16710	11.9
191.17937	9.7
192.14775	5.2
194.05280	6.5
199.14796	12.3
201.00700	13.2
201.16351	16.5
203.14307	19.1
203.17931	15.1
208.17896	6.3
213.00751	6.1
215.17917	5.1
219.01750	64.4
237.02788	70.0
249.14879	17.1
261.02823	24.6
279.03839	50.2
335.02835	100.0
338.37720	4.9
353.03818	11.3
395.05136	9.6
410.34982	15.1
413.06287	25.7
430.12076	11.0
433.20334	11.7
435.32297	16.7
442.20474	17.2
456.35614	5.9
474.15073	28.6
474.32898	32.0
477.19742	5.6
482.06299	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.4
55.05517	4.5
56.96559	3.8
57.03445	2.7
67.05506	8.2
69.03431	40.4
69.07065	4.5
70.50210	2.5
70.50529	7.1
71.04990	4.5
77.18595	2.1
79.05492	5.1
81.03423	4.6
81.07060	12.3
83.04982	4.6
83.08632	2.3
83.58167	2.2
85.02914	15.9
87.00835	8.8
91.05494	4.6
93.07050	10.2
95.08620	14.7
96.08921	2.7
97.02894	8.0
97.06511	3.6
98.97564	4.5
105.01846	6.0
105.07053	8.8
107.08593	22.3
108.08941	3.3
109.02867	5.6
109.10175	10.2
111.08103	3.6
114.76357	2.1
117.07053	2.4
119.08567	14.9
120.08910	5.1
121.10156	12.4
123.08092	2.8
123.11705	8.7
125.09632	15.9
127.03911	8.6
131.08572	5.0
133.10138	13.8
134.10501	3.5
135.08041	8.5
135.11671	8.5
145.05063	3.5
145.10141	10.4
147.11711	8.3
149.09665	3.3
149.13301	4.8
153.09090	5.2
158.99742	2.9
159.11646	3.4
163.14836	5.4
165.09105	10.4
166.09451	3.7
173.13271	14.9
177.09032	4.6
187.14815	2.5
189.09216	2.5
190.16812	2.6
191.14291	64.4
191.16022	3.2
191.17921	5.1
201.16452	3.5
202.16663	2.8
203.17934	3.6
205.12196	2.7
209.15375	100.0
210.15622	3.5
410.35126	6.9
474.14410	10.3
474.37140	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	474.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01864	1.9
55.05513	5.5
57.03437	5.9
57.07074	8.3
59.04992	1.3
61.02925	4.5
69.03432	10.5
69.28396	5.3
71.01345	1.6
72.55601	0.6
73.02919	29.3
74.42105	0.7
81.03411	1.7
83.08620	1.7
85.02910	23.3
86.09706	0.9
87.04464	1.7
89.06031	24.2
91.03957	0.8
96.87690	0.6
97.02896	16.2
98.97608	0.7
99.04458	0.7
101.09663	10.7
105.06959	0.8
107.07070	26.1
109.02880	2.2
115.03938	8.4
121.10146	0.7
127.03910	6.9
128.08083	0.6
133.04980	7.5
145.04965	8.8
163.06064	2.8
163.13297	100.0
164.13643	0.9
188.53447	0.6
193.05077	1.0
193.24315	0.5
223.06061	1.8
241.07140	2.1
247.88443	0.7
259.08102	1.0
260.30310	0.6
281.51575	0.7
474.23761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18779	1.7
53.03938	2.6
55.01865	9.1
55.87575	1.8
56.96548	2.4
57.03411	2.3
57.04730	1.8
57.07064	6.0
59.05014	2.0
61.02934	3.1
66.86808	1.8
67.05502	7.0
69.03423	9.7
69.07055	9.3
69.66016	12.0
70.02942	8.1
71.05007	3.2
71.11427	2.2
72.04519	20.3
72.08144	7.5
73.02919	10.6
73.06538	3.0
81.03423	17.0
81.07029	2.1
83.04986	6.4
85.02910	13.8
85.06542	7.3
86.09697	7.5
90.05554	33.1
93.23358	2.3
95.04969	8.0
96.08147	3.1
97.02893	11.1
98.02412	19.8
98.97575	4.2
99.04430	4.0
100.03968	4.1
103.07523	2.8
109.02876	23.7
113.06001	4.6
116.03462	20.1
124.07607	24.6
127.03945	11.0
132.06563	9.7
133.06458	2.0
134.09686	2.8
138.32121	2.0
139.30293	2.0
142.08647	18.5
145.04942	7.4
158.04579	2.5
160.09705	6.8
166.08658	4.0
172.09651	5.0
174.11270	5.2
180.10194	11.8
181.04970	3.6
184.09688	30.6
198.07623	5.7
199.06059	5.6
202.10747	100.0
206.70857	2.2
211.09714	7.0
216.08656	5.4
220.11810	22.3
222.11246	2.0
230.10168	10.6
234.09743	7.6
244.11691	3.6
261.10052	2.8
262.12897	17.7
296.94955	1.9
310.12918	10.0
328.13904	47.3
342.15427	3.7
346.14960	8.0
364.15958	9.2
474.19531	4.8
475.18060	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	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05513	10.8
56.05826	1.2
56.96564	2.2
57.07079	1.5
59.77819	1.0
61.85192	1.0
61.85564	0.9
67.05509	9.2
68.19576	1.0
69.03439	2.1
69.07073	8.2
71.04984	1.5
79.05485	7.3
81.07060	20.8
82.06570	2.1
83.04990	1.9
83.08616	5.3
83.96581	0.9
85.02901	3.1
85.06561	1.5
91.05486	9.0
93.07051	14.8
95.04975	2.7
95.08605	24.9
97.06521	2.2
97.10202	2.2
98.97633	0.9
99.08108	1.0
100.11292	4.6
105.07033	15.9
105.78098	0.8
107.08597	22.8
108.59235	0.9
109.02857	1.1
109.06516	2.1
109.10163	17.8
111.04430	1.4
111.08094	2.8
113.09614	1.0
116.53124	0.9
117.07005	1.6
119.08577	25.2
121.06516	1.2
121.10148	15.8
123.08073	2.1
123.11707	6.2
125.09628	1.1
129.06891	1.2
131.08571	6.2
133.10138	13.7
135.08075	1.1
135.11697	15.5
137.05943	1.3
137.09639	3.7
137.13261	2.0
139.07602	1.1
139.80635	0.9
140.22040	0.9
143.08612	1.7
145.10127	10.1
147.08025	1.3
147.11681	13.0
149.09602	2.6
149.13301	7.6
151.07532	2.6
151.14783	0.9
157.10199	2.7
159.11703	9.4
161.09575	1.3
161.13264	10.1
163.11200	1.9
163.14816	11.1
165.09122	21.8
167.07028	2.2
170.18848	0.9
171.11702	1.3
173.13289	7.3
175.07527	1.0
175.14842	7.5
177.09129	3.2
177.12778	2.0
177.16452	5.0
179.14308	4.0
182.15378	2.2
184.02840	1.6
185.13281	1.8
187.14828	11.6
189.09138	1.1
189.16393	11.5
191.10637	1.5
191.14299	2.3
191.17952	11.8
193.15959	1.1
197.13380	1.2
199.14856	2.8
201.16431	6.7
203.10625	1.2
203.17955	9.6
205.12253	3.0
205.15875	1.7
207.13834	1.4
207.17439	2.0
209.16545	1.1
210.14900	1.3
211.14925	1.0
213.16356	1.6
215.17976	1.6
217.19543	5.0
219.17480	2.7
219.21114	1.2
221.19058	1.3
227.17961	1.4
228.13904	1.8
228.64091	1.1
229.19516	2.2
231.13774	1.8
231.21132	1.8
233.15294	1.3
233.19008	2.0
237.14383	2.5
237.64618	2.7
243.21118	1.5
245.15382	2.0
245.22682	1.7
246.15221	1.5
246.65204	1.5
247.20663	1.3
265.14410	1.3
283.13263	1.5
293.21106	1.3
341.72641	2.3
378.33914	0.9
379.66766	1.0
391.33588	2.7
397.34564	11.9
409.34671	19.6
411.36313	2.6
427.35779	13.6
427.79422	1.3
436.79907	2.5
437.34702	1.5
445.80270	2.6
446.30469	1.9
454.80960	6.4
455.35895	11.5
455.80603	1.1
463.81433	12.1
464.31296	3.0
472.81900	100.0
473.13837	5.0
473.26999	14.9
473.32114	33.3
473.82135	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	473.3628
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
50.20782	4.9
53.03949	5.7
53.13894	4.9
55.01889	5.6
55.05506	20.7
57.07078	6.2
67.05510	34.8
69.03426	17.9
69.07057	28.8
69.99277	21.4
71.04987	5.3
72.08164	14.3
79.05500	27.3
81.03446	5.0
81.07056	72.0
83.05000	7.8
83.08616	15.4
85.02917	16.2
85.06549	6.0
91.05483	27.0
93.07042	58.8
93.40598	5.1
95.04988	7.5
95.08607	97.5
97.06525	8.7
97.10160	9.4
98.21411	6.4
99.08125	7.2
101.39176	4.9
105.07022	48.5
107.08598	88.5
109.06532	13.0
109.10152	71.4
111.08083	8.6
117.07051	13.0
119.08580	100.0
121.06523	6.2
121.10142	57.5
123.08036	11.0
123.11694	29.1
131.08574	21.9
133.10121	50.4
135.08092	4.9
135.11687	59.6
136.71321	5.1
137.09622	18.3
137.13246	7.4
143.08540	10.9
145.10107	48.6
147.11685	45.8
149.09633	7.4
149.13313	25.8
151.07515	12.1
151.11208	8.7
157.10120	10.7
159.11688	37.6
161.13307	35.4
163.07542	8.4
163.11227	5.5
163.14824	37.6
165.09140	68.6
169.10156	5.5
171.11693	4.7
173.13248	26.6
175.14822	15.4
177.16411	19.0
179.14223	5.7
183.11783	4.7
187.14847	47.8
189.09122	6.3
189.12775	8.8
189.16409	33.0
191.14359	10.6
191.17911	52.7
199.14771	8.2
201.16434	36.3
203.17961	27.7
205.12157	9.1
207.13850	7.1
207.17476	9.3
213.16377	5.3
215.17937	6.9
217.19560	15.7
219.13904	7.4
219.17502	6.8
219.21040	7.3
221.19096	8.1
229.19432	12.3
231.13889	5.3
231.20883	5.0
233.15482	11.4
245.18887	6.6
247.17000	10.5
247.20663	5.5
255.21123	8.4
285.18463	4.8
333.32120	6.3
390.29620	5.2
391.33487	7.8
397.34592	9.0
409.34677	65.1
427.35623	32.4
437.33887	13.7
441.16647	8.1
455.35260	42.3
473.19821	4.8
473.27573	40.9
473.35419	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	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14028	2.9
51.36413	2.7
53.03931	4.2
55.05526	13.5
57.07061	5.2
59.04973	3.2
65.84428	2.7
67.05501	18.1
68.80871	2.6
69.03407	9.8
69.07069	15.7
69.33691	8.3
69.34117	17.9
71.04990	2.8
79.05499	16.8
79.97367	2.8
81.03410	4.1
81.07057	44.3
83.04991	3.7
83.08608	10.8
85.02896	13.5
85.06513	5.4
86.03225	3.5
86.09714	3.3
91.05489	16.9
93.07057	26.1
95.04964	4.6
95.08613	51.1
97.02855	3.6
97.06490	9.8
97.10159	3.0
98.97584	3.5
99.04459	4.0
99.08081	6.4
105.07031	29.4
107.08591	41.5
109.06477	6.6
109.10164	37.0
111.08093	6.4
112.63725	2.6
117.07036	3.9
119.07775	4.3
119.08578	46.6
121.06516	5.0
121.10146	33.1
122.54101	2.6
123.08086	6.0
123.11688	14.8
125.05938	4.5
125.09637	8.1
127.03897	5.8
129.06967	2.8
131.08548	16.9
133.10141	25.2
134.59995	2.5
135.08067	5.8
135.11711	21.7
137.05986	4.3
137.09590	11.0
137.13278	3.2
139.11143	4.1
143.08502	5.4
145.04945	6.9
145.10120	33.8
147.11670	17.9
147.35367	2.7
149.09610	7.8
149.13303	12.8
151.07545	4.4
151.11118	4.9
157.10052	8.8
159.08058	4.4
159.11722	20.9
161.09625	4.8
161.13301	15.4
163.06104	2.9
163.11221	3.7
163.14841	18.3
165.09114	100.0
165.12704	2.7
165.16428	2.9
167.07053	5.7
171.11671	6.8
173.09717	4.3
173.13290	20.1
175.11130	3.5
175.14809	9.4
177.09087	6.6
177.16417	5.0
183.11647	3.3
185.13275	7.7
187.14830	61.9
189.09087	3.3
189.16411	18.5
191.10681	3.5
191.17877	20.0
197.13257	2.9
199.14804	9.4
201.16344	21.2
203.10678	8.0
203.17917	10.7
205.12242	11.7
211.14777	2.9
213.16414	3.3
217.19548	6.9
218.09274	3.1
221.18938	4.7
227.18013	3.8
229.19492	2.9
309.48688	3.3
391.33719	8.9
409.29575	4.3
409.34668	68.8
427.36084	3.6
455.35318	4.4
473.14224	30.7
473.27161	5.8
473.33139	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	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.5
67.05497	13.9
69.03417	4.0
69.07059	11.8
69.95963	8.7
79.05479	7.8
81.07052	24.4
83.04933	3.3
83.08597	5.6
91.05476	9.4
93.07037	15.8
95.04945	4.5
95.08603	34.6
97.06491	5.4
97.10147	6.7
105.07013	15.2
107.08585	24.7
109.10157	30.0
111.08038	2.3
113.09682	2.6
119.08563	30.1
121.10128	20.3
123.08027	3.6
123.11705	8.5
125.09636	3.1
131.08562	8.9
133.10141	15.1
135.08076	3.0
135.11697	13.1
137.09641	18.4
137.13197	2.3
139.11139	2.0
143.08571	2.9
145.10112	26.2
147.11696	13.9
149.09622	18.3
149.13202	9.6
157.10132	5.4
159.11699	13.5
160.08856	3.5
161.09633	3.7
161.13248	11.3
163.03923	2.9
163.11246	3.6
163.14818	13.3
165.09111	100.0
171.11670	2.9
173.09587	3.3
173.13268	13.6
174.10300	3.2
175.11186	19.0
175.14839	4.1
177.09015	2.8
177.16402	4.5
183.11633	2.2
185.13286	3.3
187.11183	3.3
187.14830	52.1
189.12714	20.3
189.16333	11.9
191.17957	16.8
199.14883	4.8
201.12572	4.8
201.16400	11.0
203.10583	3.4
203.14381	9.7
203.17905	8.0
205.12233	4.2
213.12750	5.4
215.18098	2.6
217.12103	3.0
217.19582	4.1
221.18958	2.3
227.17952	5.2
229.19521	3.1
231.20894	2.2
247.16777	2.7
301.21484	2.5
301.59283	2.2
303.29761	2.3
320.51404	2.0
391.33414	8.6
409.29559	3.4
409.34653	52.9
427.36185	3.6
437.34204	2.9
455.35571	2.9
473.14059	18.9
473.27106	6.3
473.32620	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	473.3628
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.68457	2.3
53.03960	3.4
55.05511	6.2
57.07071	3.3
67.05507	22.1
69.07069	10.8
69.87969	10.2
71.04994	6.5
79.05498	9.5
81.03397	11.8
81.07055	31.6
83.08616	7.0
85.02892	3.2
85.06541	2.2
89.32151	2.1
91.05476	10.0
93.07048	28.7
95.04968	49.6
95.08612	38.7
95.09183	1.7
97.06548	5.7
97.10180	4.1
105.07037	24.0
107.07943	3.7
107.08607	41.0
109.06595	4.4
109.10152	27.0
111.08074	4.0
113.05981	9.2
117.06981	4.5
119.08580	39.7
121.10141	29.2
123.08020	3.9
123.11705	15.2
125.09637	2.1
129.07056	3.0
131.08566	11.0
133.10136	36.9
135.08022	2.7
135.11693	37.6
137.13225	4.8
138.52666	2.3
143.08563	4.9
145.10173	16.0
147.11690	27.3
149.09593	4.3
149.13249	10.1
149.41750	2.4
157.10165	5.8
159.11720	16.1
161.09656	2.6
161.13287	14.8
163.14838	9.4
165.09126	7.6
169.10141	2.1
171.11732	8.7
172.12321	2.1
173.13225	10.5
175.14874	10.1
177.16391	8.6
179.14427	3.1
185.13257	5.5
187.14775	12.3
189.12802	4.5
189.16359	36.0
191.14268	6.3
191.17993	16.0
197.13278	4.7
199.14856	5.1
201.12715	3.3
201.16383	10.6
203.17960	14.2
207.17424	37.3
213.16374	4.5
215.14322	5.8
215.17964	6.6
217.15892	4.0
217.19537	3.4
225.68265	2.1
229.15990	13.2
229.19527	4.3
233.15402	5.0
247.16975	11.9
249.18851	2.9
255.21025	3.2
283.20490	2.3
323.27151	2.4
387.28265	4.2
419.33105	13.7
427.35928	19.4
437.34201	41.0
455.35324	100.0
473.36554	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
52.58160	1.2
53.03969	1.7
55.01873	2.3
55.05505	5.6
57.07064	2.4
65.03952	1.7
67.05509	30.1
69.03432	1.5
69.07066	8.1
69.76123	6.9
71.05007	1.8
79.05487	8.6
81.07059	22.9
83.04974	1.2
83.08622	4.6
85.02943	2.2
85.06548	9.9
88.69010	1.4
91.05486	10.1
93.07045	21.1
95.04965	4.7
95.08614	34.1
97.06535	4.6
97.10167	2.9
99.04448	3.0
105.07032	19.7
107.08595	32.7
109.06538	2.4
109.10152	18.8
109.10828	2.0
111.08088	5.4
113.05993	4.5
117.07009	2.6
119.08581	30.8
121.10143	20.7
123.08063	3.6
123.11693	9.3
125.09639	3.0
128.56172	1.2
129.06976	2.0
131.08554	9.1
133.10123	35.1
135.11697	21.2
137.09637	1.4
137.13277	4.1
139.11201	1.6
141.06955	1.7
141.09096	1.5
142.07805	2.2
143.08545	6.5
145.10123	16.2
147.11687	29.9
149.13280	8.0
151.11198	2.6
155.08578	2.7
156.09340	2.0
157.08824	1.3
157.10112	6.3
159.11700	17.4
161.13243	12.6
163.14835	6.8
169.10149	3.7
171.11716	4.9
173.13300	7.5
175.11188	1.3
175.14812	7.2
177.12743	1.6
177.16418	2.9
181.10190	1.6
182.10944	1.9
183.11757	4.0
185.13263	3.8
187.14825	8.3
189.16383	23.6
191.17964	10.0
197.13272	4.5
199.14775	6.2
201.12820	1.7
201.16374	8.4
203.17947	14.0
205.16003	1.6
207.17430	19.0
207.86920	1.3
209.13275	2.3
211.14833	4.7
213.16251	3.2
215.14360	1.7
215.17924	7.3
217.15935	4.9
217.19414	2.2
221.18983	2.5
227.17995	1.6
229.15912	6.0
229.19522	4.1
231.17451	1.8
233.15422	1.5
239.18083	1.9
247.16795	5.7
283.20627	1.8
298.91901	1.2
337.29108	1.8
343.29764	1.5
401.31992	2.3
419.32944	7.5
437.34192	21.5
455.35318	15.0
473.36307	100.0
474.36746	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	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05512	2.6
55.69788	1.0
57.07063	1.4
67.05499	3.2
69.07064	4.5
70.73933	3.0
79.05482	4.3
81.07053	11.2
83.08617	3.6
88.67330	1.2
91.05463	3.8
93.07031	8.8
95.08600	14.7
100.71924	1.2
105.07035	8.8
107.08586	18.2
109.06527	1.2
109.10159	10.6
111.08121	1.4
111.11671	1.3
117.06998	1.4
119.08582	16.8
121.10145	10.0
123.08100	2.8
123.11698	4.4
125.09623	1.9
128.93291	1.2
131.08566	4.3
133.10118	13.8
133.31122	1.2
135.11685	14.8
137.09644	1.3
137.13196	2.8
143.08566	1.8
145.10136	7.7
147.11679	12.4
149.09511	1.7
149.13260	6.2
157.10141	1.5
159.11696	5.7
161.13237	7.9
163.14821	5.9
164.67166	1.3
171.11778	3.2
173.13239	5.3
175.14833	6.0
177.16385	2.0
185.13280	2.7
187.14857	6.8
189.16383	16.4
191.17970	3.0
199.14890	2.9
201.16391	18.5
203.17950	10.6
205.15799	5.8
207.17480	13.3
213.16385	1.8
215.17926	6.2
217.19559	2.5
219.17496	2.5
227.17818	1.4
229.19511	3.1
241.19382	1.7
243.21115	2.3
247.16969	8.6
255.21059	5.2
257.22626	2.3
301.21552	4.0
303.23151	2.7
315.23138	2.7
331.26318	4.0
357.27966	3.8
391.33163	2.4
409.34857	6.2
427.35748	100.0
428.35861	2.0
437.34119	9.8
455.34958	5.2
473.19467	1.8
473.36688	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	473.3626
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
55.05507	11.5
57.07062	6.1
57.58199	3.6
65.03893	3.4
67.05482	18.0
68.49666	4.6
69.03418	3.8
69.07084	22.3
69.37449	6.3
69.37853	27.0
73.16191	4.3
79.05469	15.0
81.07063	38.4
83.04977	4.9
83.08614	7.9
85.58428	3.1
91.05492	16.8
93.07053	25.6
95.04930	3.7
95.08614	61.9
97.06509	4.0
97.10155	7.6
99.04414	4.9
105.07037	23.7
107.08610	44.4
107.09306	6.6
109.06509	4.0
109.10152	43.5
111.08080	4.7
119.08606	43.9
121.06538	4.2
121.10137	45.3
123.08056	5.8
123.11693	15.9
131.08559	10.0
133.10149	28.1
135.08057	3.8
135.11707	26.4
136.12024	3.5
137.09593	5.2
137.13242	8.3
145.10143	21.2
147.07918	3.3
147.11742	18.1
149.09608	6.5
149.13219	14.7
153.09044	5.7
159.11690	13.7
161.13280	17.5
163.11140	6.5
163.14792	9.8
165.09125	4.9
167.10695	7.5
171.11681	8.3
173.13261	13.2
175.14806	13.0
177.12782	6.1
177.16348	14.6
181.12257	9.0
187.14886	22.8
189.16362	19.8
191.17924	11.8
193.15886	4.1
195.13762	5.1
201.16386	11.9
203.17998	24.1
205.15822	8.4
205.19557	3.9
207.17461	8.3
215.17911	4.5
217.15822	5.4
217.19385	3.9
223.16859	7.8
233.15326	5.5
235.16856	5.3
237.18491	5.0
247.17058	4.4
249.18468	9.1
251.90591	3.8
409.34848	22.1
411.32346	5.8
419.33081	7.2
427.35593	25.7
437.34586	17.2
455.35864	24.6
473.34555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.17845	1.3
52.09056	1.1
55.05493	2.9
57.07061	1.7
65.03946	1.2
66.31256	1.3
67.05491	4.7
68.47112	1.4
69.07043	4.8
69.89860	1.1
73.24371	1.1
79.05488	3.2
79.40156	1.5
81.06684	1.2
81.07062	11.7
83.08587	2.2
90.22546	1.1
91.05472	4.3
93.07047	10.3
95.04977	3.5
95.08603	20.2
105.07040	7.5
107.08585	17.2
109.10165	9.6
117.06989	1.4
119.08588	14.5
121.10145	11.6
123.08075	1.3
123.11713	4.4
131.08569	5.6
133.10133	11.5
135.08076	1.9
135.11699	15.8
143.08498	1.9
145.10146	7.8
147.11674	15.4
149.09523	1.3
149.13251	7.6
151.11113	1.5
157.10112	2.9
159.11687	7.6
159.23102	1.5
161.13248	6.1
163.14845	5.2
166.97333	1.3
169.09927	1.5
171.11662	1.2
173.13266	4.1
175.14771	4.9
177.16367	6.6
187.14838	8.8
189.16359	17.7
191.14275	1.7
191.17891	3.6
199.14908	1.6
201.16350	5.4
203.17891	3.1
205.15875	26.8
207.17407	16.2
213.16420	1.6
215.17944	5.2
219.17485	2.7
229.19431	2.4
241.19496	1.6
247.17014	2.4
255.21075	2.2
409.34650	4.5
427.35745	100.0
437.34167	2.8
455.35684	10.3
473.35483	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	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.9
56.12490	9.5
67.05495	25.5
71.04984	9.8
79.05489	22.0
81.07048	44.1
83.08636	11.5
91.05495	33.1
93.07064	49.7
95.08599	73.9
97.06504	9.3
98.20608	19.8
99.08109	15.4
105.07025	65.9
107.08602	92.1
109.10171	63.1
119.08582	96.1
121.10142	73.2
123.11705	22.2
131.08578	35.6
133.10146	98.1
135.11719	54.5
137.13255	15.4
139.19324	9.5
143.08569	10.8
145.10112	39.8
147.11717	63.0
149.13271	31.4
157.10156	17.4
159.11736	48.9
161.13309	30.7
162.45366	8.9
163.14790	31.6
165.09145	16.7
173.13313	33.5
175.14880	31.7
177.16315	10.4
187.14836	89.0
189.16391	39.9
191.17970	100.0
197.13184	10.9
199.14870	11.6
201.16388	55.4
203.17978	37.8
207.17522	22.6
219.17432	19.6
229.19493	13.1
231.21259	10.4
231.30548	10.3
379.08499	9.2
402.67630	9.7
409.34796	62.8
427.31616	16.4
437.34421	13.6
455.36078	45.2
473.32355	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
54.80154	8.3
55.05505	16.0
65.03927	8.4
67.05471	20.6
69.07065	25.2
70.65835	21.4
71.04990	13.1
79.05499	26.4
81.03455	8.8
81.07063	44.8
83.08593	8.6
83.61517	8.3
91.05477	27.6
93.07048	60.9
95.08605	75.6
99.08081	12.6
105.07053	50.0
107.08617	89.6
109.10158	41.1
111.08079	10.1
119.08574	100.0
121.10165	65.4
123.11715	21.8
131.08575	38.6
133.10153	77.4
135.08072	10.5
135.11681	49.4
143.08543	9.4
145.10126	41.2
147.11702	51.9
149.09648	9.5
149.13293	27.7
149.89717	9.9
157.10124	21.0
159.11705	40.1
161.13318	23.0
163.14859	27.7
163.63843	9.0
165.09160	16.0
167.92305	8.3
169.10083	8.7
171.11731	11.8
173.13251	34.3
175.11296	8.5
175.14827	34.4
176.61635	8.4
177.16423	19.3
180.72868	8.6
185.13266	11.2
186.96335	9.2
187.14827	77.3
189.16446	41.0
191.17924	75.4
194.89389	8.6
199.14850	11.9
201.16420	66.5
203.18083	40.6
207.17377	26.0
213.16283	12.2
217.19551	25.0
219.17632	11.0
292.91956	8.2
295.41638	10.3
391.33826	12.1
409.34702	37.8
427.36069	15.2
437.34772	9.8
455.30554	14.0
455.35791	16.9
473.32056	45.3
483.55179	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	473.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35366	5.1
55.05512	23.4
55.63982	5.9
57.07062	8.3
67.05499	38.4
69.07073	34.2
69.68710	25.0
69.69115	13.2
71.05007	7.0
77.38998	6.0
79.05481	26.3
81.07073	61.8
83.08630	8.5
85.06582	6.1
89.24122	5.7
91.05481	30.5
93.07059	64.8
95.08610	100.0
97.10164	9.6
99.08089	21.2
103.28696	6.0
105.07037	55.2
107.08591	79.5
109.06511	19.1
109.10167	57.1
111.08088	8.5
119.08588	94.0
121.10154	63.4
123.08068	13.1
123.11720	26.7
128.82838	6.5
129.42957	7.1
131.08562	39.6
133.10135	57.7
135.07994	7.5
135.11688	58.0
137.09641	10.6
137.13242	11.7
143.08513	7.8
145.10155	48.5
147.11707	58.9
149.13271	25.9
157.10118	12.6
159.11673	37.5
161.13266	26.9
163.14828	23.6
165.09142	23.3
167.07022	7.2
169.10182	8.8
171.11604	8.7
173.13263	20.6
175.14842	18.6
179.14290	8.8
183.11687	8.1
185.13226	8.3
187.14807	74.5
189.16388	27.1
191.17947	86.1
201.16400	58.5
203.17978	37.1
207.17438	17.1
215.17952	7.6
217.19554	17.8
219.17468	16.9
227.17929	9.3
229.19305	7.8
372.78537	7.8
391.33615	19.9
400.71365	6.5
409.34717	62.7
427.35870	18.7
429.53784	7.9
455.35437	37.9
473.23431	29.2
473.33157	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	473.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02994	8.9
55.05506	16.8
67.05494	22.8
69.07062	18.1
70.31985	17.6
70.32378	18.0
79.05483	17.2
81.07048	50.8
83.08605	12.7
91.05473	16.3
93.07047	50.2
95.08617	79.4
98.86192	9.1
99.08080	23.3
105.07076	45.8
107.08595	70.6
109.10145	45.8
119.08579	93.1
121.10148	72.0
131.08562	37.6
133.10114	65.2
135.11696	51.0
137.09636	10.2
137.13200	10.1
145.10101	39.8
147.11728	66.1
149.13249	27.8
157.10204	21.0
159.11678	44.7
161.13272	21.7
163.14796	19.1
164.39597	10.1
165.09157	25.7
173.13219	18.0
175.14850	17.9
187.14836	79.3
189.16382	32.0
191.17932	100.0
201.16389	93.3
203.17929	32.0
215.18098	15.1
217.19614	14.2
219.17442	12.2
355.30164	9.0
379.08047	10.1
392.98123	9.8
409.34946	58.7
455.35049	32.4
473.14096	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	473.3606
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.73261	0.7
55.05503	1.7
67.05515	1.4
69.07079	2.0
81.07073	4.0
83.89055	0.7
91.05489	1.4
93.07056	2.3
95.04968	0.8
95.08608	4.5
105.07043	1.3
107.08618	3.0
109.10184	2.8
110.66361	0.7
116.86265	0.9
119.08625	1.5
121.10178	1.8
123.11758	1.7
133.10126	1.4
135.08037	1.0
145.10133	1.2
147.11740	1.0
159.11678	0.9
169.45688	0.9
180.78189	0.8
199.15082	1.0
337.23486	100.0
338.23886	1.0
353.43137	0.9
437.34491	1.3
455.35373	2.7
473.36209	63.8
474.36996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.8
56.19072	7.9
57.07083	8.2
67.05497	32.9
69.03394	10.2
69.07059	29.2
70.58324	28.7
79.05478	27.7
81.06658	7.5
81.07069	69.2
83.08627	15.1
85.02908	9.9
85.06509	14.1
91.05465	28.4
93.07059	58.0
95.08623	98.1
97.06516	8.4
99.08069	17.3
105.07024	47.9
107.08597	67.2
109.10170	47.4
111.04483	9.3
111.08145	9.3
114.04881	6.9
117.06991	9.3
119.08592	100.0
121.10141	62.0
123.08025	19.6
123.11686	39.8
125.09663	10.1
131.08548	27.4
133.10124	58.0
135.04427	8.3
135.11671	44.0
137.06061	7.6
137.09601	14.4
143.08569	12.0
145.10132	35.0
147.11674	55.6
149.09605	12.2
149.13248	18.3
157.10065	16.3
159.11647	40.4
161.13249	29.4
163.03923	10.5
163.14804	35.6
165.09123	21.0
171.11676	8.3
173.13266	19.8
175.14758	25.2
177.16551	9.8
185.13223	10.7
187.14806	98.9
189.16388	30.0
191.17964	89.4
201.16396	67.9
203.17975	20.1
213.16360	11.0
215.05325	10.2
215.17909	10.8
217.19557	15.1
229.19478	8.8
247.03722	8.8
391.33496	10.2
404.01404	8.8
409.34729	62.4
427.35678	16.2
455.35001	24.5
473.14133	27.5
473.27460	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	473.3265
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
55.05497	4.8
56.30643	1.8
57.07072	2.7
67.05497	9.7
69.07064	9.6
70.85550	5.4
79.05478	7.7
81.07063	26.2
81.85977	2.1
83.08594	2.8
85.06548	2.0
91.05482	14.7
93.07052	19.9
95.04980	2.2
95.08606	33.3
97.06533	2.8
105.07030	25.9
107.08594	36.4
109.06510	3.1
109.10154	18.3
109.83388	1.9
111.08083	2.3
111.11749	2.2
112.95747	2.2
117.07028	3.1
119.08585	30.3
121.06470	3.3
121.10148	23.3
123.08060	4.5
123.11723	13.2
129.06950	2.0
131.08571	10.1
133.10149	18.2
135.08005	3.2
135.11707	24.2
137.09657	1.8
137.13297	2.9
143.08549	7.0
145.10121	15.4
147.11690	46.5
149.09604	2.5
149.13289	13.1
151.11188	2.7
155.08540	2.7
157.10098	9.1
159.08051	2.2
159.11716	10.4
161.09561	3.2
161.13284	7.9
163.14787	6.1
167.08473	2.4
167.14323	4.2
169.10135	7.6
171.11702	6.4
173.13261	19.4
175.11168	3.9
175.14798	24.3
177.12776	3.2
177.16373	7.3
179.14262	2.4
181.10062	2.8
183.11638	3.7
185.09668	3.3
185.13249	5.5
187.14868	10.4
189.12692	2.2
189.16386	16.2
191.14198	3.4
191.18010	2.7
193.15831	6.0
195.11667	5.7
197.13255	2.0
199.14810	3.7
201.12738	4.0
201.16356	9.2
203.14258	2.5
203.18130	2.9
205.15863	8.3
207.11699	3.3
207.17427	9.4
208.12344	3.3
209.13266	3.6
211.14815	5.0
213.16208	2.1
215.17955	5.5
217.15836	2.5
219.17374	2.7
225.16417	4.2
227.17894	7.5
229.19574	3.8
237.13928	2.6
237.16373	48.5
237.18639	3.9
239.17879	5.0
243.17395	2.6
249.16458	2.5
251.18010	4.4
253.19591	2.9
255.17519	10.3
266.84833	1.8
267.21255	2.7
271.20511	2.2
277.19376	4.1
279.21359	3.1
283.16937	20.7
295.20560	2.6
301.18021	8.8
323.19983	9.8
335.23642	2.6
365.28284	2.7
373.28937	7.3
381.31488	22.1
383.29489	13.7
387.12024	2.0
391.29947	9.6
409.30975	22.0
419.29413	6.1
427.30823	23.5
427.35873	18.5
437.30429	31.3
455.31448	100.0
456.31662	5.8
473.32358	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	473.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.7
53.03947	13.9
55.01845	6.1
55.05513	24.8
57.03408	4.2
61.91914	1.8
65.03912	4.5
67.05502	55.4
68.05808	1.8
68.99094	1.6
69.03426	2.7
69.07072	8.7
69.07353	1.5
71.04979	4.1
71.62187	2.5
73.06550	2.3
77.03909	3.4
79.05492	73.4
81.03417	100.0
81.07053	53.7
83.04990	11.3
83.08208	2.3
83.08617	24.8
84.02583	1.9
84.26339	1.9
85.02905	2.8
85.06512	2.6
85.49055	1.9
91.05477	70.6
93.06477	2.8
93.07043	56.0
95.04972	43.5
95.08058	2.4
95.08607	39.6
97.02871	3.4
97.06501	7.6
97.10119	5.1
99.04440	2.0
99.08053	3.5
103.05463	2.8
105.07031	56.9
107.04955	15.1
107.08588	24.1
108.47655	1.7
109.06467	7.0
109.10149	11.8
111.08035	7.7
115.05401	3.3
117.07014	11.6
119.08585	44.3
121.06468	6.9
121.10130	17.0
123.08034	6.7
123.11672	5.7
125.09570	2.7
127.07549	2.8
128.06201	3.3
129.07014	26.8
131.08566	16.5
133.06442	6.1
133.10123	21.4
135.07986	2.6
135.11646	8.3
137.09558	4.9
141.09026	2.0
142.07722	3.0
143.08574	13.1
145.06436	2.0
145.10133	16.5
147.08002	5.8
147.11682	42.1
149.09590	4.5
149.13322	4.2
149.75885	2.0
157.10117	13.3
159.11673	7.0
161.09619	4.3
161.13312	10.3
163.11160	2.3
163.14816	3.0
165.09109	5.2
165.12755	2.8
166.33846	2.1
169.10013	2.7
171.11688	21.6
173.09564	2.4
173.13216	5.1
175.11224	8.4
175.14798	2.8
177.16260	2.2
183.11638	1.9
185.13297	2.9
187.11153	1.9
187.14844	9.4
189.12680	8.0
189.16388	3.8
191.17900	7.5
193.12228	26.7
199.14827	2.1
201.16335	7.7
203.17894	4.7
207.13792	22.1
207.17401	2.2
211.14845	2.6
213.16266	2.2
225.14729	2.2
249.14771	4.6
289.17752	1.9
360.40433	1.9
378.62680	2.1
381.23993	2.6
409.34595	4.4
445.55991	2.0
455.27869	3.4
455.35284	3.5
473.28732	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.4
57.07080	1.5
67.05497	6.0
69.07068	7.5
69.43233	8.2
69.43639	3.1
71.04992	1.9
79.05495	5.0
81.03432	1.5
81.07066	15.8
83.04952	1.3
83.08627	2.9
85.06538	1.7
87.34220	1.2
91.05482	9.5
93.07048	17.8
93.34583	1.2
95.04974	2.9
95.08608	21.5
97.06535	2.6
97.10133	1.4
98.97580	2.7
99.99990	1.2
105.07028	20.2
107.08595	23.0
109.06521	2.4
109.10168	13.5
111.08114	1.9
117.07027	2.7
119.08591	22.1
121.06526	2.6
121.10137	17.8
123.11708	9.2
125.09609	2.1
131.08568	8.7
133.10117	16.2
135.08032	2.0
135.11711	19.8
137.09586	1.8
137.13315	1.8
142.07742	2.0
143.08553	3.9
145.10164	10.8
147.08081	1.2
147.10576	1.3
147.11687	38.7
149.09637	2.3
149.13258	12.1
151.11145	2.6
155.08569	3.1
156.09331	1.9
157.10159	7.0
159.08066	2.3
159.11691	10.6
161.09608	2.9
161.13292	8.4
163.11139	1.4
163.14862	3.2
165.12714	1.8
169.10150	3.9
171.11725	8.5
173.13269	12.1
175.11203	2.3
175.14833	17.0
177.16393	4.9
179.14276	2.1
181.10115	1.8
183.11742	6.0
185.13280	4.3
187.11186	2.0
187.14812	6.1
189.12804	3.7
189.16422	7.5
191.14301	2.5
191.18042	2.1
193.15897	5.1
195.11705	3.3
197.13254	2.9
199.11259	1.8
199.14876	3.1
201.12753	2.8
201.16389	5.7
203.14322	2.6
203.17972	3.8
207.11792	1.6
207.17542	6.2
209.13197	2.8
211.14783	4.3
213.12958	1.4
213.16400	3.7
215.17928	2.7
217.15932	2.0
223.14801	2.5
225.16376	3.7
227.17952	6.5
229.15840	2.5
229.19604	3.4
235.14963	1.6
237.16394	18.5
239.18019	2.3
241.19521	2.8
251.17947	3.9
255.17511	6.2
257.18896	2.5
277.19455	2.0
283.16962	9.3
287.19763	1.7
295.20682	1.9
301.18091	3.7
321.22232	2.5
323.20026	5.4
334.74170	1.3
363.30490	3.6
365.28363	3.1
368.41061	1.5
373.28851	4.1
381.31522	24.0
383.29538	10.4
391.29846	7.0
409.30945	19.5
419.29559	6.7
427.32062	27.1
437.30481	41.7
438.31073	2.2
455.31525	100.0
456.31845	3.6
473.32040	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.05503	12.8
57.03441	6.7
67.05489	11.9
69.03419	14.1
69.07076	6.4
69.53301	22.2
70.06583	4.9
71.04973	2.9
73.02915	4.1
75.26950	2.9
78.80119	3.2
79.05522	4.7
81.03413	13.1
81.07033	8.0
83.04987	7.6
85.02902	24.4
85.06512	4.0
86.09674	5.2
87.00806	7.4
91.05486	8.7
93.07048	9.0
95.08611	82.1
97.02870	12.7
98.20718	3.6
99.04439	6.8
100.90971	3.4
105.07029	24.1
107.08592	14.7
109.02874	10.2
109.10130	9.0
117.07008	4.3
119.08587	51.7
121.10153	21.1
123.08069	19.2
127.03938	16.4
131.08577	6.1
133.06514	11.1
133.10133	33.5
135.08060	4.8
135.11702	73.8
137.09604	8.4
137.13275	7.3
137.74130	3.2
145.04976	6.7
145.10078	5.4
147.08066	5.0
147.11703	36.2
149.09654	26.9
151.07558	13.1
159.11700	3.4
161.13254	100.0
165.09102	9.8
174.10439	6.9
177.25093	4.1
179.14281	7.0
189.12749	70.2
207.13802	54.5
225.14914	5.3
237.02797	5.0
347.48373	3.9
412.11993	3.5
473.13779	12.4
473.20163	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	473.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.96559	8.6
57.07047	0.7
67.05496	1.7
69.07066	1.2
71.45925	0.9
71.95238	1.0
73.02897	0.6
79.05481	1.3
81.07056	2.2
83.04942	0.6
84.96034	0.8
85.21922	0.6
86.09695	1.9
89.06049	0.7
91.05462	0.8
93.07049	3.4
95.08597	4.1
97.96803	1.5
98.97579	100.0
99.63347	0.6
105.07022	2.0
107.08577	3.5
109.10138	1.6
110.97546	4.2
116.98615	37.3
118.46725	0.6
119.08582	0.9
121.10130	5.9
123.08000	0.7
123.11668	0.6
123.94740	0.6
125.09669	0.6
127.03916	0.7
128.98602	2.1
133.10170	0.7
134.99652	7.3
135.11685	1.4
137.09653	0.9
137.13301	1.0
140.00191	1.5
143.00175	1.0
147.11694	0.8
151.07591	0.9
157.98860	0.7
158.99651	54.6
161.13188	0.7
162.99103	0.7
163.03859	1.2
165.09131	2.4
170.99667	1.2
177.00706	49.0
177.16417	1.3
189.00720	0.8
195.01781	2.5
200.02328	1.6
207.13809	3.6
209.15398	0.6
219.01746	30.0
237.02791	14.1
260.04440	0.8
279.03854	14.9
287.15454	0.7
293.14450	2.1
297.05057	2.1
311.15225	5.4
329.16452	1.8
353.16324	2.3
413.18457	10.7
427.13605	0.9
431.19519	32.8
454.21173	1.3
473.14011	2.7
473.20447	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	472.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66217	1.8
55.05495	6.7
57.03450	2.2
57.07060	5.3
67.05479	2.8
69.03418	6.2
69.07063	37.4
69.71349	10.2
72.08150	2.0
73.02911	13.1
79.05457	1.8
83.08617	16.6
85.02905	14.3
86.09701	3.7
91.05529	1.8
93.07008	2.3
95.08578	2.2
97.02908	9.1
98.97580	3.4
107.08603	2.7
109.10079	2.0
115.03889	2.8
121.10133	2.0
127.03912	3.6
133.04961	3.1
143.14328	12.7
145.04971	4.1
147.11629	2.2
159.92899	1.8
161.15369	37.1
174.10428	5.1
186.86855	1.9
201.12819	2.0
214.63249	5.3
219.13333	5.5
223.63689	3.7
228.13855	24.0
228.64006	2.6
237.12570	1.6
237.14354	40.6
237.64507	5.0
239.11359	2.1
246.14902	100.0
246.65025	16.7
314.78513	1.9
472.21078	5.7
472.31760	47.6
472.81955	21.3
473.20145	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	473.1291
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03442	1.2
58.28300	0.8
65.10153	0.8
69.03421	2.9
70.81583	1.8
70.81897	1.2
81.03423	1.1
85.02898	3.0
87.04453	1.9
88.25052	0.9
92.54910	0.9
97.02875	1.6
98.20761	0.9
115.03914	1.8
123.04453	7.8
124.07626	1.2
127.03914	1.6
129.43842	1.0
133.02882	6.6
133.04958	1.0
135.04384	1.4
151.03893	3.5
179.03397	100.0
180.03796	1.0
187.66866	0.9
190.08694	1.1
197.17906	0.9
211.56729	0.9
244.68092	1.2
266.33218	1.0
341.08694	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	473.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82250	5.6
69.82659	3.6
85.02909	2.5
98.97604	2.5
123.04400	5.8
124.07526	2.2
133.02831	6.5
135.04370	2.0
179.03391	100.0
209.82669	1.6
274.84906	1.9
311.15857	2.1
341.08609	2.2
390.62524	2.0
427.73105	1.7
445.18930	1.9
473.15485	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	473.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17583	0.4
66.77942	0.5
70.65825	1.4
95.00018	0.4
101.00895	0.5
104.36217	0.4
143.03154	0.5
203.05293	5.2
228.88348	0.5
249.14674	4.2
251.12508	0.5
273.06049	0.5
293.13510	1.2
311.14661	13.1
312.15256	0.5
353.14688	0.4
411.19971	1.1
473.19955	100.0
474.20422	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
57.07063	1.4
59.49733	1.1
67.05516	7.3
69.03432	1.6
69.07065	9.1
70.31981	2.3
70.32374	2.9
71.04998	2.1
79.05500	8.9
79.94283	1.2
81.07053	18.6
83.08613	5.5
85.02870	1.3
87.94074	1.1
91.05470	12.3
91.46003	1.0
93.07043	21.6
95.04947	1.9
95.08031	2.3
95.08605	29.1
97.06528	2.0
97.10204	2.0
99.08090	13.3
103.04264	1.1
103.05484	1.4
105.07026	22.9
107.08591	29.1
109.06526	1.6
109.10155	20.4
111.08089	2.7
117.06994	4.2
119.08580	38.3
121.10138	24.2
123.08086	2.3
123.11696	6.3
131.08578	11.7
133.10133	45.4
135.08058	1.7
135.11696	19.8
137.09624	2.0
137.13271	2.5
142.07848	1.9
143.08566	6.7
145.10123	17.6
146.68242	1.2
147.08095	2.4
147.11687	22.3
147.12770	1.9
149.09593	2.2
149.13268	8.0
153.09023	1.7
156.09288	2.5
157.10127	8.1
159.11664	15.9
161.09692	1.8
161.13237	13.2
163.11180	3.1
163.14830	6.7
165.09117	3.5
165.12869	1.5
169.10167	2.5
170.10863	2.9
171.11697	7.4
173.13258	11.6
175.11192	1.8
175.14790	9.8
177.12808	2.5
177.16428	4.6
179.14310	2.0
183.11728	1.6
185.13237	9.2
187.14790	8.1
189.12753	3.0
189.16389	17.6
191.14412	5.7
191.16156	2.9
191.17937	47.7
197.13287	2.4
199.14822	13.5
201.16379	14.8
203.14317	7.8
203.17964	11.4
205.12076	1.6
205.15932	2.4
205.19493	1.8
207.17484	4.5
213.16408	2.6
215.14326	1.7
215.17981	3.1
217.15889	27.2
217.19307	7.1
219.17375	1.8
227.17935	1.6
229.19502	2.2
231.13718	1.6
233.15450	1.2
237.14841	7.8
245.15326	3.4
245.19101	1.7
249.14719	1.9
253.19490	1.6
263.16394	20.7
271.20813	1.3
278.67529	1.4
297.21753	1.4
333.07916	4.8
335.09497	8.5
389.26923	1.4
407.33151	8.4
425.34381	10.2
435.32574	3.5
453.33633	18.7
471.21970	100.0
471.34619	24.6
472.22522	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	471.347
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
54.93562	2.1
55.05496	9.9
57.07071	4.1
64.31004	2.6
67.05508	12.3
69.03436	3.2
69.07064	16.2
70.32119	5.2
70.32510	3.5
71.04974	3.7
72.67461	2.0
79.05486	17.7
81.07061	35.0
81.39733	1.9
82.58698	2.1
83.04968	3.3
83.08604	6.9
85.02890	4.2
85.06563	3.1
91.05489	17.9
92.65369	1.9
93.07053	41.2
95.04970	3.3
95.08609	42.2
99.08089	12.5
105.07031	32.7
107.08598	56.0
109.06529	2.6
109.10159	29.3
111.08104	5.7
117.07028	3.5
119.08585	42.5
121.10144	34.2
123.08047	7.8
123.11689	10.0
125.09595	2.5
128.06192	2.6
129.06920	2.8
131.08575	21.3
133.10135	41.3
135.08081	4.9
135.11684	27.7
137.09598	6.6
137.13257	5.3
142.07808	2.5
143.08554	8.5
145.10127	36.2
147.11688	35.0
149.09641	3.1
149.13272	19.9
151.11142	2.6
153.12830	2.6
155.08557	3.1
156.09383	2.6
157.10133	18.3
158.10968	3.7
159.11688	24.7
161.13261	22.0
163.11191	4.7
163.14873	11.2
165.09099	6.9
169.10167	5.4
170.10817	2.8
171.11752	13.9
173.13254	21.9
174.13850	2.2
175.11259	2.8
175.14818	17.8
177.12781	3.5
177.16377	6.6
179.14320	6.8
181.10129	3.2
183.11685	13.0
185.13258	14.1
187.14816	20.1
189.12744	2.3
189.16376	15.8
191.14272	3.9
191.17928	36.1
195.11858	3.5
197.13249	10.6
199.09689	2.4
199.14857	21.7
201.16417	21.3
203.14182	3.9
203.17975	10.7
205.15958	5.4
207.17497	3.8
209.13107	2.5
211.14851	4.6
213.16403	11.7
215.17937	7.4
217.15910	7.6
217.19502	5.2
219.17479	2.6
221.15340	2.8
225.16388	6.0
227.17899	6.5
229.19511	5.1
239.17978	4.4
241.19498	4.5
243.20821	2.7
245.19028	3.3
251.18030	5.4
253.19441	4.9
259.20584	2.4
261.14886	2.2
263.16446	8.6
267.21124	7.6
269.18900	3.9
271.20590	8.3
283.20630	2.7
285.22107	9.6
311.23514	2.7
333.07962	23.3
335.09406	19.6
335.27274	6.1
353.28290	6.8
389.31921	4.9
407.33139	32.9
408.32928	3.3
410.38733	2.2
422.98911	2.7
425.34183	42.5
428.69846	2.3
435.32623	6.6
437.15024	2.5
453.33771	40.7
459.81464	2.2
471.21951	100.0
471.34991	23.3
472.22430	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	471.3472
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
50.33810	4.4
52.12678	4.7
53.03934	4.9
55.05507	15.5
57.07080	5.5
58.26850	4.6
59.64779	5.6
61.09086	4.9
67.05508	23.3
69.03407	6.1
69.07070	23.6
69.48397	36.5
71.05003	7.3
79.05491	31.0
81.07062	55.8
83.08609	7.1
85.02912	17.9
91.05473	20.1
93.07030	47.1
95.04948	7.6
95.08604	75.8
97.06557	5.9
98.20723	10.7
99.08099	12.2
105.07029	70.5
106.07371	6.2
107.08595	70.0
109.06492	10.2
109.10170	41.0
111.04478	6.5
111.08073	13.9
114.27942	5.1
117.06995	10.3
119.08586	78.1
120.08913	9.0
121.10142	48.9
123.11736	14.1
130.40308	5.5
131.08548	38.1
132.08914	5.2
133.10143	47.7
134.10477	9.3
135.11731	33.5
137.09657	5.8
143.08614	11.4
145.10136	42.6
147.11703	59.8
148.11902	5.7
149.13312	39.3
157.10155	20.2
159.11726	48.8
160.12091	10.0
161.13255	21.8
163.11267	6.5
163.14816	11.7
165.09109	9.4
169.10089	6.2
171.11641	8.7
173.13330	35.1
174.13646	6.6
175.14818	31.4
177.16406	13.6
183.11763	10.5
184.12122	5.8
185.13234	18.1
187.14874	26.0
189.16428	31.5
190.16687	7.8
199.14824	14.6
201.12759	19.8
201.16402	50.0
202.13112	23.0
203.14568	25.1
203.17992	14.6
205.15904	21.1
207.17441	23.5
208.17758	6.7
211.14738	9.7
213.16264	9.1
215.18050	10.3
217.19603	6.3
219.17564	13.4
227.17984	9.0
229.19551	6.4
235.16989	6.2
235.92722	5.6
247.13246	9.4
247.16978	9.6
248.13689	9.6
249.14639	17.7
367.29730	7.7
383.32190	6.8
407.33160	31.3
423.32260	5.5
425.33673	68.4
427.35104	10.4
435.32489	14.1
453.33755	30.6
471.34674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05507	16.1
57.07069	5.3
67.05509	24.9
69.07076	15.3
69.58952	36.7
71.04983	8.4
79.05486	24.1
81.07059	49.1
83.08585	8.8
85.02905	10.7
91.05467	26.2
93.07056	48.5
95.04974	9.2
95.08610	56.3
97.06547	5.6
99.08098	11.9
105.07033	84.8
107.08593	76.0
109.06519	7.9
109.10159	36.9
111.08076	30.1
112.60859	5.7
117.07018	11.1
118.06946	5.3
119.08576	100.0
121.10142	60.7
123.11728	13.7
125.09532	5.6
129.06937	6.1
131.08566	44.7
133.10132	58.6
135.11726	32.8
143.08560	14.3
145.10120	59.2
147.11690	95.3
149.13251	60.3
157.10146	19.1
159.11674	54.1
161.13268	42.6
163.14803	16.9
165.09088	7.2
165.81801	4.7
169.10098	6.2
171.11687	15.6
173.13277	36.0
175.14813	26.7
177.16345	31.9
183.11639	6.4
185.13290	18.5
187.14812	48.9
189.16367	43.0
197.13319	8.2
199.14764	15.7
201.16405	90.5
203.14304	12.0
203.18048	9.8
205.15895	35.2
207.17442	21.2
213.16373	9.3
215.17999	12.5
217.15909	5.7
219.17398	20.8
227.17851	8.8
231.17474	6.8
239.17990	7.9
247.16939	7.4
249.14761	10.8
367.29965	26.5
407.33047	33.4
413.30704	11.9
423.32962	5.4
425.34277	50.2
435.32541	20.6
453.33725	33.0
471.35046	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	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05508	12.3
55.43918	1.8
67.05496	8.9
69.07059	13.5
69.56996	10.1
69.57416	5.3
79.05489	13.5
80.84511	2.4
81.07056	26.9
83.08601	8.1
85.02898	2.5
91.05457	13.7
93.07039	36.3
95.08037	3.5
95.08603	46.1
98.20773	4.2
99.08079	8.8
105.07026	32.5
107.08598	43.2
109.06449	2.7
109.10155	30.1
117.06985	5.1
119.08582	56.3
121.10143	43.0
123.08010	2.7
123.11699	11.3
131.08585	17.8
133.10129	36.2
135.11699	32.0
137.13260	3.5
137.35893	1.9
141.12741	3.6
143.08514	9.2
145.10115	28.8
147.08046	2.0
147.11690	23.0
149.09651	5.1
149.13255	13.0
151.11185	2.3
156.09322	3.3
157.10153	13.3
159.11693	28.8
161.09639	2.6
161.13275	19.1
162.97400	2.1
163.07524	3.2
163.11200	8.4
163.14793	10.4
165.09109	3.7
165.77197	2.7
169.10150	2.1
170.10944	2.9
171.11647	11.1
173.13251	12.0
175.05692	2.3
175.14792	17.9
177.12729	4.9
177.16412	6.5
181.12241	3.3
185.13254	8.0
187.14731	12.8
189.09270	2.2
189.12752	3.7
189.16385	21.0
191.17943	100.0
197.13252	5.2
199.14833	20.2
201.16409	18.2
203.14308	6.0
203.17941	28.1
205.19550	5.2
207.17403	4.5
213.16354	4.8
217.15875	21.1
217.19415	12.3
221.15378	4.8
221.18903	2.7
224.90086	2.4
227.14395	2.4
231.17465	2.7
237.14844	3.6
245.15379	8.0
257.18515	2.0
263.16510	10.4
310.80386	2.1
334.97256	2.1
351.19141	2.1
365.31528	2.2
399.28833	5.8
407.33023	8.5
425.33984	3.7
428.94339	2.4
435.32556	10.1
453.33722	20.4
461.44482	2.9
471.34998	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	471.347
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03934	3.5
54.89487	2.4
55.05516	15.1
63.70305	2.2
67.05486	15.0
69.07072	13.3
69.66848	4.3
69.67254	11.7
69.74297	2.5
73.06551	3.0
79.05506	14.1
79.94243	2.4
81.07065	28.1
83.08624	7.7
85.02904	4.3
91.05458	18.1
92.82899	2.1
93.07043	42.2
95.08603	52.5
97.06519	5.7
97.10165	7.6
99.08104	5.9
105.07032	33.5
107.08585	54.2
109.10137	28.5
111.04430	2.3
111.08075	5.4
117.06991	5.1
119.08583	57.4
121.10145	47.8
123.08060	5.7
123.11734	14.9
130.07704	2.8
131.08565	19.2
133.10135	37.1
135.11685	30.6
137.09644	2.6
137.13264	4.2
143.08531	6.4
145.10120	35.5
147.11671	25.5
149.09680	2.6
149.13222	16.4
156.09285	2.9
157.10136	15.2
159.11690	31.3
161.09583	3.8
161.13248	17.5
163.11194	9.3
163.14815	11.1
165.09125	10.9
171.11667	11.8
173.13240	17.6
175.14803	17.5
177.12820	4.2
177.16348	6.7
181.12178	3.6
183.11646	4.5
184.48151	2.2
185.13249	11.6
187.14819	18.4
189.09041	3.3
189.16403	28.5
191.14299	4.4
191.17941	100.0
197.13205	3.9
199.14813	24.0
201.16351	23.7
203.14360	6.5
203.17924	26.3
205.15999	2.8
205.19591	3.7
207.17404	3.0
209.11760	3.1
213.16495	2.7
217.15884	20.1
217.19522	10.4
221.15228	5.1
237.14845	4.5
245.15370	10.2
263.16333	13.8
349.90158	3.0
363.26334	2.9
389.31946	3.1
399.28845	6.1
407.32938	7.1
425.34158	10.8
435.32492	8.9
453.33743	23.2
471.35022	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01866	2.5
55.05512	11.1
56.96554	2.2
57.07055	4.6
67.05509	20.0
67.40043	2.5
68.01028	1.9
68.05816	2.9
69.03419	9.6
69.07076	15.9
71.04980	2.8
71.61299	3.8
73.02907	5.7
79.05477	10.7
81.03424	3.7
81.07055	30.5
83.04995	4.2
83.08607	6.9
85.02904	13.3
85.06525	7.0
91.05485	17.5
93.07045	24.4
95.04985	3.3
95.08044	3.2
95.08607	49.8
97.02892	4.6
97.06529	6.8
97.10210	4.6
98.97572	7.4
105.07027	32.7
107.07942	3.7
107.08596	42.4
107.19073	2.0
109.06524	2.6
109.10162	35.3
110.97533	2.8
111.08080	3.7
115.03947	5.5
117.07011	6.1
119.08587	51.9
121.10143	37.4
123.08033	3.7
123.11698	11.0
125.05935	2.3
127.03872	3.7
129.05428	2.2
131.08549	23.8
133.04951	4.3
133.10132	40.7
135.11702	30.1
137.09610	7.7
137.13240	4.5
141.07066	2.3
142.07744	4.0
143.08591	15.9
144.09352	7.8
144.24309	2.3
145.09158	3.4
145.10152	32.8
145.89308	2.7
147.11690	22.6
149.09610	3.4
149.13300	13.0
151.14828	2.3
155.08575	4.0
156.09343	4.1
157.10144	17.5
158.10928	3.0
158.99612	2.3
159.11697	43.3
161.13245	13.0
161.18484	2.1
163.11133	3.2
163.14856	10.9
165.09096	25.5
169.08615	3.2
169.10066	2.9
170.10901	5.5
171.11671	18.1
173.13245	26.6
175.05966	2.6
175.11130	2.5
175.14784	10.1
176.03345	4.9
176.53677	3.3
177.09267	2.2
177.12759	3.2
177.16455	5.1
179.10657	2.5
183.11765	4.8
185.03867	3.3
185.13219	13.9
186.79149	2.2
187.14839	19.1
189.12740	2.8
189.16377	19.7
191.14319	4.2
191.17946	100.0
197.13235	3.0
199.14815	29.3
201.00941	2.1
201.12871	2.2
201.16399	19.8
203.14333	5.3
203.17934	19.5
205.12219	4.9
205.19418	3.2
207.17445	2.4
213.16391	3.1
215.14270	2.7
215.17963	3.8
217.15910	31.7
217.19460	8.0
225.16335	2.3
227.14351	2.4
231.17401	2.8
231.21091	3.6
245.15405	5.2
249.02788	5.1
263.16385	7.4
267.20975	2.6
272.61084	7.8
273.11130	3.2
291.03912	4.4
379.57474	2.4
407.33115	15.1
425.34479	15.8
435.32382	7.7
439.20499	4.3
453.33679	14.1
460.52106	2.5
471.21811	3.4
471.35120	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	471.3472
Annotation	Maytenfolone A
Peak:m/z	Relative Intensity
55.05505	4.1
56.56253	2.6
57.07072	3.1
58.24278	2.5
67.05499	9.2
69.07047	10.0
70.55982	2.6
70.89429	8.8
71.08579	3.2
79.05495	6.4
81.07053	17.4
83.08598	4.0
91.05474	8.7
93.07032	17.4
95.04924	2.9
95.08629	20.6
97.06566	2.9
97.10172	3.1
105.07033	14.5
107.05027	3.8
107.08582	20.5
109.06525	3.6
109.10145	14.7
109.29242	2.2
111.08058	3.1
119.08575	18.8
119.30961	2.4
121.06506	5.5
121.10128	14.6
123.11710	7.2
125.05991	3.3
131.08557	11.0
133.10120	13.9
134.96605	2.8
135.08057	7.5
135.11668	4.8
142.07848	3.0
145.10112	20.4
147.08040	2.8
147.11653	8.1
148.37991	2.8
149.09564	5.0
149.13223	3.1
149.46931	2.6
157.10086	6.4
159.08092	6.2
159.11679	8.2
161.09570	10.8
161.13249	7.8
163.07524	6.5
163.11263	4.3
171.11641	4.8
173.09598	13.1
173.13333	6.7
175.11174	11.8
177.09038	3.3
183.11728	3.3
185.13261	6.7
187.11168	4.1
187.14833	9.6
189.16348	3.7
197.13266	2.7
199.14790	5.0
201.12785	5.6
211.14879	6.3
213.12733	7.5
215.14287	23.4
217.15894	4.3
219.17232	3.1
229.15836	9.8
233.15364	6.8
247.16769	3.1
283.20352	2.7
407.33130	4.2
413.30533	25.1
435.32410	12.3
443.35361	3.6
453.33655	100.0
471.34647	87.0
472.34998	3.2
481.54691	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
64.51102	0.5
67.05507	1.2
68.70757	0.5
68.83884	0.6
69.07068	2.8
71.11678	0.9
79.05483	1.5
81.07061	3.2
83.04971	1.0
83.08626	3.7
85.10191	0.7
91.05478	1.1
93.07051	3.8
95.08614	6.0
97.06498	0.6
97.10191	0.7
105.07039	2.8
107.08593	6.7
109.06517	1.4
109.10163	3.6
109.10803	0.7
111.08083	1.3
119.08591	6.5
121.10155	3.5
123.08080	1.1
123.11710	1.7
125.20924	0.5
133.10129	5.6
135.08061	1.0
135.11697	5.6
137.06029	0.6
137.09605	2.4
137.13220	0.8
145.10141	1.6
147.11682	3.2
149.09596	0.8
149.13264	1.4
150.86160	0.6
151.07556	8.3
151.11177	1.8
159.11700	1.5
161.09566	0.8
161.13246	1.7
163.14786	1.3
165.09097	1.6
165.12720	0.6
166.09918	2.4
173.13316	0.7
173.78644	0.6
175.11081	0.8
175.14824	2.6
177.16490	0.7
185.13293	1.1
187.14833	1.2
189.12721	0.7
189.16399	11.5
191.14275	0.7
191.17897	0.8
199.14781	0.7
203.14325	1.3
203.17889	0.9
203.75851	0.7
207.17453	8.9
217.15941	0.7
221.15364	5.0
231.17490	0.6
235.16870	1.0
250.28647	0.6
345.27914	4.7
347.26047	0.8
359.25906	2.2
373.27438	1.7
374.28024	2.8
375.29028	2.2
407.33188	0.7
425.34146	1.9
443.35223	100.0
444.35272	2.9
453.33688	0.9
471.34814	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	471.3471
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03953	0.9
55.05503	3.1
57.07063	0.9
61.04290	0.8
67.05505	4.3
69.07068	5.0
69.55264	4.4
69.55680	1.2
79.05488	7.1
79.54606	0.7
81.07059	16.5
83.08618	4.1
91.05443	1.5
93.07051	8.9
95.04958	1.8
95.08603	13.8
95.62862	0.8
96.41991	0.8
97.06532	2.9
97.10132	1.7
99.04439	1.2
99.08074	1.4
100.12089	0.8
105.07034	6.5
107.05021	1.0
107.08599	10.8
109.06525	2.2
109.10162	12.2
113.06030	1.2
116.77264	0.9
117.07030	1.8
119.08578	9.5
121.06481	2.5
121.10145	11.0
123.08077	1.3
123.11725	7.2
125.05984	5.5
125.42593	0.8
128.36978	0.8
131.08556	3.8
133.10118	8.0
135.08047	3.5
135.11711	4.3
137.13284	1.2
139.07555	2.9
143.08597	2.8
145.10127	9.9
147.11674	5.6
149.09619	3.6
149.13257	2.0
150.30092	0.8
153.09100	3.3
155.08607	1.8
157.10159	3.1
159.08075	2.4
159.11725	5.1
161.09660	1.7
161.13263	1.7
163.11179	2.6
163.14844	1.1
165.09167	1.0
167.10707	3.4
169.10184	1.7
171.11700	4.2
173.09653	5.8
173.13292	2.8
175.11240	5.3
175.14803	1.4
177.09140	2.4
177.12759	1.8
177.16371	1.6
181.10286	0.8
181.12228	2.2
182.10831	1.0
183.11690	1.8
185.13258	2.8
185.50272	0.9
186.14111	1.1
187.11221	6.6
187.14821	5.4
189.16402	3.0
191.10643	2.5
196.12553	1.1
197.13286	2.8
199.14798	2.2
201.12762	1.3
201.16339	2.3
203.17798	0.9
205.15826	4.1
207.17430	1.2
211.14912	3.4
213.12869	1.3
214.13571	0.9
215.14351	8.2
217.15887	4.6
223.15024	1.3
223.16913	6.2
229.15875	84.2
230.16283	1.9
231.17502	6.9
233.15407	15.5
237.18446	1.1
243.17430	3.0
247.14473	1.5
247.16968	17.2
255.21307	1.2
256.51349	1.0
257.18967	4.0
269.19119	1.4
280.73450	0.9
283.20575	7.6
297.22098	3.9
324.88754	0.9
397.31595	1.1
417.31464	1.7
435.32401	9.4
453.33643	58.3
454.34021	2.6
471.34735	100.0
472.35321	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	471.3471
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03965	0.6
55.05503	2.0
57.07061	0.6
57.34997	0.4
65.03964	0.5
67.05505	2.7
69.03418	0.8
69.07057	2.8
69.84042	0.5
71.04990	0.6
71.30683	0.9
71.77689	0.5
75.86568	0.5
76.69757	0.5
79.05500	1.7
81.07058	6.8
83.04985	2.9
83.08621	1.4
88.44798	0.4
89.16877	0.5
91.05484	2.6
93.07040	6.2
94.72089	0.5
95.04935	1.1
95.08611	9.4
97.06525	1.4
97.10172	0.7
105.07034	8.1
107.08597	10.4
109.06515	1.1
109.10157	5.1
111.08070	0.9
117.07058	0.7
119.08582	11.8
121.06523	0.5
121.10139	6.6
123.08055	1.4
123.11726	2.7
129.07007	0.8
131.08582	2.1
133.10132	6.7
135.08064	1.2
135.11681	6.0
137.09654	0.5
137.13269	1.2
138.32938	0.6
139.11203	0.7
143.08528	2.3
145.10144	3.0
147.08006	0.9
147.11702	4.9
149.09657	1.9
149.13249	1.8
153.09126	0.6
155.08549	1.3
157.10123	2.4
159.11737	2.7
159.79343	0.5
161.09666	2.8
161.13269	2.3
163.14818	0.7
169.10156	0.9
171.11690	1.7
173.09708	0.5
173.13261	3.4
175.11220	1.1
175.14815	7.3
177.16383	1.8
179.10815	0.5
179.14304	0.7
183.11700	1.8
185.13414	1.1
187.11148	0.8
187.14798	2.7
189.16377	13.4
191.17949	1.9
197.13301	1.9
199.14806	3.9
201.12685	0.9
201.16368	1.4
203.17923	0.8
207.17473	1.6
211.14804	1.5
213.16418	1.5
215.14326	1.5
215.17981	0.8
217.15860	6.2
227.17973	0.8
229.16068	0.5
229.19516	0.6
231.17310	0.6
235.16930	6.5
239.18013	0.6
241.19583	0.8
243.17555	0.5
243.21007	0.7
253.19466	2.5
257.19034	0.8
271.20587	4.2
273.18759	0.5
299.20230	0.7
303.19556	0.7
313.21289	0.4
317.21158	1.7
336.83710	0.5
407.33066	1.9
425.34232	6.8
435.33105	0.6
453.33704	1.1
471.34723	100.0
472.35138	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	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05502	19.0
59.11106	6.7
60.50856	6.8
67.05499	21.1
68.82067	5.7
68.94298	6.6
69.07055	20.6
79.05487	21.8
81.07065	42.4
83.08619	10.1
85.06570	5.5
88.94916	7.2
91.05473	23.3
93.07053	51.2
95.08058	6.5
95.08610	76.9
97.10156	8.1
99.08089	64.9
105.07040	59.9
107.08600	76.4
109.10159	71.3
111.08100	6.4
119.08585	99.4
121.10135	69.6
123.11722	22.6
131.08525	32.3
133.10133	73.6
135.11703	69.3
143.08553	13.7
145.10126	47.7
147.11697	61.3
149.13268	24.0
157.10094	14.2
159.11713	50.0
161.13251	57.6
163.07571	7.9
163.14807	31.6
165.09250	8.7
171.11639	17.6
173.13251	31.6
175.14819	48.3
177.16380	9.1
179.14355	7.7
185.13251	17.7
187.14845	25.5
189.12798	6.9
189.16402	66.8
191.14307	22.8
191.17912	67.4
199.14836	24.1
201.16469	32.3
203.14397	15.8
203.18024	32.8
205.74287	6.0
207.17439	19.7
209.15434	6.5
211.14888	7.8
213.16400	15.6
215.17999	13.4
217.15976	31.3
217.19495	26.8
221.18927	6.4
227.17950	13.0
232.83716	6.4
237.14864	61.6
239.17802	7.0
245.15364	21.3
247.16876	8.5
249.14885	11.7
263.16418	84.0
389.31967	12.5
407.32965	40.5
425.34122	23.4
435.32578	26.8
453.33731	84.6
471.34781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05511	14.5
57.07052	8.1
63.70191	5.5
66.89362	5.7
67.05518	30.2
69.07053	33.2
70.81245	16.9
76.19617	6.0
79.05489	18.0
81.07058	56.3
83.08614	12.9
91.05470	27.8
93.07052	46.9
95.08607	93.1
98.21519	5.6
105.04503	6.3
105.07014	59.0
107.07926	11.5
107.08588	90.5
109.06519	6.8
109.10162	53.7
111.08067	10.5
117.06986	9.1
119.08578	100.0
121.10138	71.5
123.08028	6.9
123.11742	33.1
124.14142	5.7
131.04886	6.1
131.08571	24.7
133.10117	79.7
135.11690	44.2
137.13306	6.8
143.08629	9.9
145.10104	71.2
147.11664	46.4
149.13268	25.2
153.09082	8.4
157.10127	21.3
159.11656	52.0
161.09604	6.1
161.13284	24.5
163.14825	24.4
169.10205	6.8
171.11702	26.5
173.13255	38.1
175.14796	45.1
177.16391	35.3
179.14383	6.9
185.13255	15.5
186.13840	7.7
187.14818	54.2
189.16389	34.3
191.14272	7.3
191.17923	21.0
193.15895	7.8
199.14850	13.3
201.16386	68.1
203.14307	6.9
203.17924	23.8
207.17590	9.5
213.16386	17.6
215.17960	25.5
217.16023	10.2
217.34583	5.7
219.17455	19.0
229.15852	13.4
229.19576	10.4
235.16963	15.4
237.18504	9.9
241.19682	12.6
247.16888	39.5
253.19608	6.8
261.18524	6.4
267.21030	6.8
273.18524	7.6
293.22672	8.7
311.23544	6.7
313.21671	7.3
389.32126	11.6
407.32822	28.3
425.34555	34.5
435.32889	54.4
453.34460	33.2
471.34570	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03942	3.5
55.05511	16.3
55.56303	3.4
57.07082	4.7
57.86164	3.2
59.98634	2.9
62.79605	3.2
67.05189	3.7
67.05506	27.6
69.07069	25.4
70.81891	9.5
71.05009	3.6
78.16277	3.2
79.05496	21.8
79.41682	3.1
80.10659	3.3
81.07059	43.9
83.04993	4.0
83.08655	4.9
85.02906	5.3
85.06532	5.3
87.38629	3.2
89.56990	3.1
91.05494	27.3
93.07046	57.6
95.08041	5.1
95.08610	63.7
97.10178	7.0
99.08083	22.4
105.07040	51.2
107.08601	100.0
109.06435	3.9
109.10162	31.1
111.08059	5.7
117.07007	10.6
119.07780	5.1
119.08585	69.0
121.10152	36.0
123.11727	22.3
129.07037	6.5
131.08569	36.6
133.10127	62.0
135.11703	39.4
137.09549	6.5
137.13234	7.0
139.11249	3.4
142.07806	4.0
143.08542	19.5
145.10133	44.3
147.11690	51.4
149.13271	14.0
155.08565	7.6
157.10118	34.1
158.10912	5.1
159.11708	37.6
161.13290	24.8
163.14809	16.3
165.09090	11.9
165.12750	5.8
169.10115	11.2
170.10921	3.9
171.11668	23.1
172.12497	3.5
173.13252	40.5
175.11179	4.2
175.14844	24.7
177.16365	7.6
179.14302	14.2
181.10051	3.7
183.11707	32.5
184.12317	3.4
185.13249	45.1
187.14825	36.3
189.16368	32.2
191.14285	3.8
193.15884	3.6
197.13257	27.0
199.14861	32.0
201.16385	23.2
203.10712	4.8
203.14352	25.5
203.17914	10.7
205.15834	5.6
207.17488	18.7
209.13354	8.2
211.14833	9.9
213.16420	22.4
215.17967	15.3
225.16377	5.6
227.17897	7.9
229.19493	12.5
239.17950	6.3
241.19487	6.0
243.21100	5.0
245.19025	9.2
249.14839	45.8
251.17886	9.7
253.19484	13.2
255.20976	5.3
257.19116	4.7
259.20615	6.7
265.19437	4.2
267.21060	20.0
269.19031	9.4
271.20490	14.6
285.22122	31.7
289.64435	3.2
293.22559	4.2
297.22058	4.7
309.28180	5.6
311.23737	4.7
317.26190	3.7
335.27313	6.9
337.25293	4.7
353.28314	15.1
389.31915	7.9
407.33127	75.8
425.28912	4.1
425.34222	66.4
435.32544	7.4
453.33890	62.3
471.21588	16.8
471.34958	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.2
60.89177	2.1
66.65759	2.3
67.05499	14.1
69.03426	3.9
69.07064	15.1
71.31149	5.0
79.05484	14.6
81.07059	49.0
83.08609	5.3
91.05473	28.6
93.07037	28.9
95.04990	4.8
95.08610	41.1
103.40199	2.8
105.07030	74.2
107.04914	2.8
107.08590	53.4
109.06509	8.2
109.10149	14.1
111.08049	5.3
117.07009	10.4
119.08578	100.0
121.06491	8.2
121.10146	24.9
123.08037	6.8
123.11710	5.5
128.06244	4.4
129.06999	5.8
130.07774	2.6
131.08566	31.7
133.06482	4.1
133.09200	4.2
133.10120	36.1
135.08047	8.9
135.11658	13.5
137.09570	2.8
142.07774	4.8
143.08551	20.0
144.09253	5.2
145.10123	37.9
147.08041	11.8
147.10635	3.6
147.11697	48.0
149.09637	5.2
149.13246	11.3
155.08586	3.4
156.09340	6.9
157.10106	14.8
157.57745	2.6
158.10939	2.6
159.11693	31.6
160.84203	2.8
161.09615	8.6
161.13275	42.0
163.11229	4.4
163.14847	11.5
165.12703	2.4
169.10098	4.1
171.11725	20.5
173.09676	3.3
173.13260	24.6
175.11156	7.9
175.14806	32.6
177.12737	5.9
177.16417	10.9
183.11734	4.2
185.13229	15.4
187.14838	29.0
189.12769	12.4
189.16400	29.1
191.10626	2.7
191.14299	17.6
191.17915	5.1
197.13225	4.2
199.14793	6.6
201.12709	3.6
201.16373	8.0
203.14389	17.4
203.18066	4.4
205.15881	40.4
207.13770	8.5
207.17479	3.7
209.13188	3.1
211.14761	2.7
213.16290	2.9
215.14465	5.0
215.17841	3.3
217.12276	7.3
217.15866	18.5
221.15375	7.1
227.17860	4.7
233.15326	5.3
235.13293	67.6
235.16859	4.5
239.17831	3.4
243.17439	3.5
263.16412	7.2
343.35486	2.5
389.28418	8.9
407.29178	26.6
417.27670	2.9
425.30008	19.6
435.28452	4.6
453.29361	7.4
453.34583	3.7
471.29803	10.2
471.35614	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05508	5.6
56.96566	4.6
57.03433	6.1
57.07063	2.8
59.04978	2.1
64.19506	2.2
67.05506	25.5
69.03432	10.8
70.06597	2.4
70.65208	4.8
71.04993	100.0
73.02913	5.5
74.46258	2.7
76.44038	2.0
79.05485	4.5
79.28226	2.0
80.87608	1.9
81.03424	3.8
81.06572	3.5
81.07059	58.4
83.08622	3.9
84.96003	2.6
85.02907	23.1
85.06540	9.6
87.04472	4.5
91.05467	3.6
92.12917	2.2
95.04935	1.8
95.08607	3.7
97.02870	10.3
98.20837	2.6
98.97575	13.7
99.08041	2.5
105.07053	2.7
107.04961	3.0
109.02917	2.4
110.97565	4.9
115.03901	3.4
116.98611	6.6
120.44476	1.9
123.11702	18.4
127.03901	3.7
128.98621	4.1
133.05026	2.4
137.02432	2.1
141.12744	85.2
145.02817	2.2
145.04863	3.3
152.07062	2.2
153.05498	10.2
158.99692	3.5
159.13818	57.5
161.05966	5.2
163.03941	3.1
171.06596	2.1
177.00697	4.2
177.05489	8.7
177.14865	54.7
181.04959	2.4
193.08659	2.5
195.06567	12.5
203.07329	2.7
219.01768	7.8
237.02713	12.4
239.09140	2.5
269.35776	2.2
291.13229	2.5
292.11948	4.4
309.09879	3.4
309.13452	3.5
327.07645	3.9
339.07639	5.2
357.09085	3.9
403.50070	2.3
429.10483	3.0
461.51965	2.2
471.12256	20.7
471.21552	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	471.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
70.06612	0.6
70.92874	1.8
83.01118	1.1
83.08629	1.1
85.02833	0.6
85.25465	0.7
95.01079	2.4
95.08565	0.8
98.97602	1.3
100.07645	1.0
100.11259	10.4
107.08566	0.9
113.02119	1.7
128.07086	1.2
143.01833	0.7
147.11751	0.7
161.03011	1.5
182.15479	3.6
185.04247	3.3
189.05217	0.9
198.64989	0.6
201.03716	0.6
203.05316	1.6
209.16463	2.0
210.14912	2.9
219.01889	0.7
219.06291	2.5
227.17157	0.7
234.08621	13.7
259.07916	1.9
277.10519	0.8
291.14462	0.8
309.12991	5.7
309.16068	0.7
411.18713	1.1
441.17349	1.8
471.18329	100.0
471.35434	15.4
472.18906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
55.34101	0.7
57.03421	1.6
67.05495	2.4
69.03419	1.2
69.07053	2.0
70.03556	3.0
71.04977	3.0
73.02887	0.6
74.37892	0.6
79.05484	1.7
81.07059	4.1
83.04962	1.3
83.08606	1.2
84.44586	0.7
85.02895	7.1
91.05480	2.2
93.07046	4.3
95.08598	3.7
97.02926	0.9
97.06586	0.6
99.08058	0.8
105.07035	3.1
107.08588	5.1
109.10159	2.7
119.08584	4.7
119.29980	0.6
121.10165	3.1
123.08102	1.1
123.11720	1.7
127.03918	1.3
129.05461	1.8
131.08560	2.1
133.10153	4.6
135.11673	2.6
137.09604	1.1
143.08514	1.4
145.04971	1.3
145.10097	3.2
147.06445	0.9
147.11716	2.8
149.13219	1.0
157.10136	1.6
159.11734	2.0
161.13240	1.3
163.05986	0.9
163.11137	0.6
163.14839	1.7
165.09137	3.0
171.11771	0.9
173.13271	1.4
177.16353	0.8
185.13286	1.3
187.14844	1.4
189.16403	2.7
191.14265	0.8
191.17992	4.3
199.14807	1.5
201.16385	2.8
203.05177	0.8
203.18034	1.3
209.88136	0.7
215.18018	0.9
217.15877	1.9
217.19443	0.8
263.16495	1.1
273.22049	0.7
275.07269	1.4
333.07806	3.4
335.09467	8.4
339.18021	1.3
407.33374	1.1
425.34064	1.5
453.33606	2.4
454.85306	0.7
471.22018	100.0
472.22498	2.5
485.89673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63581	1.0
56.29203	0.9
56.96556	1.9
62.04140	0.8
69.95229	2.5
69.95625	1.8
71.21983	1.3
72.91787	0.9
89.03898	1.2
98.97588	3.3
116.98556	1.1
117.03352	1.4
131.67502	1.0
135.04396	1.7
136.75859	1.1
158.99593	1.4
163.03900	8.0
164.04236	1.2
177.77200	1.1
237.02745	1.4
250.24138	1.2
309.09421	1.7
317.08444	2.9
416.98865	1.2
471.15121	100.0
472.14999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
56.96569	0.6
58.54184	0.7
65.12399	0.5
67.05476	1.0
68.95294	0.6
69.03415	0.8
69.07098	0.6
69.30433	1.2
69.30837	4.6
71.04982	0.7
73.02908	0.7
76.25800	0.5
81.07063	0.9
82.22540	0.5
83.01080	1.0
83.04974	1.9
83.08564	0.7
85.02888	1.5
85.06532	1.8
90.05567	0.5
93.07033	1.1
95.01096	1.6
95.08556	0.5
95.94870	0.5
96.01875	0.9
97.02873	0.7
100.11260	2.5
101.00877	2.8
107.08578	1.2
109.10147	0.7
111.08113	0.8
113.02131	2.7
119.01920	4.4
119.08636	0.8
135.07982	0.8
135.11691	0.6
136.17470	0.6
137.05934	0.8
143.01894	7.9
147.11678	0.8
153.09052	0.7
161.02965	13.7
165.09065	1.4
167.03055	0.7
169.06784	0.5
176.03380	0.8
182.15512	0.7
185.04214	3.4
191.14316	1.9
201.00847	0.6
201.03659	0.8
203.03694	2.9
203.05472	1.4
205.04742	12.1
210.14885	1.2
219.06288	0.7
221.05208	0.6
234.08626	9.8
243.08600	0.6
249.02695	0.7
253.09384	0.8
259.07889	1.7
263.05975	0.6
267.53076	0.6
277.10489	0.9
280.10715	1.2
291.14429	6.8
309.12369	1.0
309.15866	4.7
327.16443	0.8
339.13959	1.0
351.16559	1.7
383.13077	1.4
406.30414	0.6
409.18311	5.5
411.13193	1.3
411.18469	6.1
429.18799	0.6
471.18286	100.0
471.35980	3.7
472.18796	2.2
499.92697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
63.78991	0.5
66.31564	0.5
67.76035	0.5
69.03417	0.7
71.37682	0.5
71.38033	0.6
72.29257	0.5
83.01086	0.9
83.08602	0.6
95.01080	1.6
98.97581	1.0
100.11244	6.0
110.58794	0.6
113.02097	1.2
116.98563	0.7
143.01785	0.5
157.04555	0.5
161.02998	0.9
163.03900	1.6
166.39180	0.5
178.04988	1.0
179.09709	0.5
182.15439	1.8
183.82890	0.7
185.04213	3.3
189.05196	1.1
201.03798	0.8
203.05304	0.8
209.16519	1.3
210.14891	2.0
219.06320	1.8
224.35046	0.6
234.08620	13.7
259.07904	1.7
277.10556	1.5
309.13202	1.8
440.16290	0.7
441.17264	2.3
471.18381	100.0
471.35446	8.9
472.18777	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1265
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
55.96062	2.1
64.32304	2.0
65.05530	2.0
71.60841	3.9
137.80301	2.3
248.36006	2.4
471.12653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26762	0.4
56.96556	1.1
66.85593	0.4
69.03426	0.6
71.40363	0.5
74.36400	0.4
81.07047	0.4
84.96017	0.8
85.02918	0.9
98.97581	2.2
101.00861	0.5
110.97591	0.6
116.98642	0.9
119.01933	0.7
124.99097	0.5
127.02474	0.4
127.03834	0.6
128.98610	0.6
131.01903	0.9
137.05991	0.4
143.00151	0.8
143.01894	1.3
145.03470	1.0
147.04321	0.4
155.01869	0.7
158.99698	0.7
161.01251	0.6
161.02960	1.2
163.03966	1.0
167.01933	0.4
169.03485	1.2
173.02939	0.9
177.00728	0.9
177.05362	0.3
181.03442	0.7
185.02991	0.8
187.04503	0.5
189.00740	0.6
195.05038	1.0
199.04431	0.5
203.03973	0.8
213.06104	0.5
219.01793	1.0
223.04501	0.5
235.04240	0.4
237.02797	0.9
237.05968	0.7
239.04033	0.4
253.05658	0.4
255.07216	0.8
279.07199	0.7
287.06027	0.5
294.05969	0.5
295.39267	0.4
297.07922	0.4
317.08368	2.9
339.09497	1.2
351.06000	0.9
357.10327	1.0
460.70523	0.3
471.14703	100.0
472.15155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03178	1.2
54.34731	1.3
55.01875	6.5
57.03437	16.4
61.02924	13.8
62.95037	1.2
67.05499	1.3
69.03432	31.7
71.01347	4.2
71.04991	2.8
73.02919	63.4
81.03413	6.1
81.07065	1.9
85.02906	100.0
86.98045	1.4
87.04460	4.7
91.03968	4.5
93.07024	1.4
95.08611	2.2
97.02895	51.1
98.20773	3.6
99.04453	4.1
103.03953	3.0
107.08581	1.7
109.02877	10.6
111.04466	1.7
111.08063	1.7
115.03932	26.6
118.96620	1.6
127.03912	30.2
133.04973	29.1
133.10121	1.7
145.04955	48.4
145.10074	2.5
150.07590	2.7
163.06032	19.4
217.06978	1.6
223.05971	3.3
241.07133	5.2
259.08124	4.5
314.00070	1.5
470.33466	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	471.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	10.2
69.03419	3.1
69.41532	15.4
84.96019	5.3
85.02901	5.7
97.02887	2.3
98.97586	27.2
99.02379	2.0
110.06047	5.1
110.97581	8.3
116.98619	9.9
128.98631	8.0
129.55901	2.4
134.99690	2.7
135.04407	2.6
140.07053	3.1
140.98563	2.4
143.00174	7.0
146.05969	2.4
146.99600	4.2
147.06339	3.1
158.99643	6.8
161.01277	5.5
163.03967	6.4
170.99606	4.6
177.00758	5.9
189.00687	4.4
195.03304	3.2
195.04958	2.1
201.00677	2.0
207.11334	2.0
208.09723	8.6
213.04323	4.1
219.01764	15.3
237.02733	22.3
291.13443	6.2
309.09506	3.3
309.14410	9.6
339.07458	36.4
453.18704	3.1
471.14365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05504	7.2
56.96560	1.8
57.03442	6.0
57.07079	1.3
59.04991	7.6
61.02907	4.5
67.05505	5.6
69.03435	11.7
69.07059	1.8
70.06583	1.9
70.18999	2.7
70.19342	1.9
71.01343	1.6
71.04996	7.8
73.02498	1.6
73.02913	26.2
74.06069	2.8
79.05482	3.8
81.03425	2.2
81.07055	27.5
83.08624	20.4
85.02906	21.6
85.06531	2.3
86.09733	1.3
91.05476	2.9
93.07029	4.5
95.04941	1.5
95.08604	3.1
97.02895	18.7
97.06506	1.2
97.10156	3.1
98.97578	16.0
99.04425	1.5
105.07050	1.2
107.08576	3.9
109.02848	2.2
115.03939	7.5
116.07079	1.4
116.98629	5.0
119.08573	2.3
121.06489	1.3
121.10129	1.2
123.11709	56.3
127.03903	6.5
133.02864	11.9
133.04971	7.2
133.10080	1.0
137.05989	2.2
141.12737	41.6
144.06540	2.1
145.04953	8.0
145.10226	1.5
153.09116	1.4
158.99669	7.2
159.13803	100.0
163.06038	3.1
165.05461	2.1
176.08289	1.1
177.00685	3.7
177.05371	1.5
178.08733	2.5
184.07410	1.1
191.07037	1.2
193.05019	1.3
193.08670	1.7
206.08148	5.5
209.08109	4.1
217.07053	0.9
219.01724	2.3
223.05963	2.6
259.08084	2.8
265.11829	14.1
269.10803	1.4
290.09079	2.0
365.14285	1.1
371.13855	1.9
406.27844	1.1
470.19333	2.5
471.18207	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	470.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
53.07494	2.3
54.17708	2.3
55.01867	5.6
55.05503	12.7
56.96567	40.0
57.03429	9.3
61.02922	26.4
65.03944	3.1
65.73642	2.6
66.20876	2.4
67.05505	20.9
68.05846	2.8
69.03438	16.7
69.07072	12.2
70.11375	8.3
71.04975	5.2
71.95254	2.8
73.02918	14.9
79.05495	20.9
79.81696	2.2
81.03413	24.1
81.07063	28.5
83.04974	7.5
83.08597	8.8
84.96025	2.5
85.02898	31.7
90.81340	2.3
91.03958	12.7
91.05463	21.2
93.07039	19.8
95.04955	9.7
95.08607	19.6
96.08951	5.1
97.02901	19.5
97.06554	7.0
98.03244	3.0
98.97572	18.0
99.04441	2.8
103.03876	3.0
105.07027	21.6
107.04914	3.4
107.08593	19.7
108.08990	3.8
109.06488	4.5
109.10139	9.8
110.10520	3.3
110.97574	7.3
111.08064	6.0
115.03986	3.0
116.98626	5.4
117.07021	4.3
119.08592	18.9
120.08927	6.1
121.06503	3.2
121.10155	12.2
122.10437	3.2
123.11687	4.6
127.03889	9.2
128.98595	7.7
129.07018	4.6
131.08562	11.7
133.10138	14.1
135.11711	7.0
139.00764	3.9
143.00220	4.0
145.04991	3.0
145.10118	9.1
146.99600	2.7
147.11691	9.6
149.01192	4.4
149.09642	3.8
149.13272	4.2
152.05794	2.4
157.10095	7.4
158.99669	3.5
159.11684	9.1
160.11992	2.8
161.01208	2.8
166.27007	2.4
171.03329	4.6
171.11607	3.5
173.13281	6.7
174.13646	3.3
175.11188	6.0
175.14801	5.5
176.15166	6.3
177.00717	5.0
185.04898	7.5
187.14946	3.1
189.16435	5.3
193.12280	10.4
203.04085	2.6
203.05956	10.0
211.06465	5.0
211.13289	11.4
211.81613	2.7
219.01724	2.9
219.17574	3.6
225.07893	2.7
229.07532	3.1
231.06941	2.7
232.46835	2.5
243.08910	8.2
249.08099	5.3
251.09572	4.8
253.10986	3.2
267.09024	71.5
267.15942	4.5
268.09439	4.9
269.10239	3.0
275.12311	8.2
275.20071	11.3
278.42899	2.4
285.10074	100.0
285.16949	11.2
286.10416	10.4
290.10626	3.9
303.11032	4.0
307.11209	3.0
308.11557	10.6
315.10782	5.2
321.04965	3.3
324.11441	24.0
328.13486	2.9
331.15802	27.5
332.15945	4.1
349.16882	53.6
349.23395	5.5
350.17200	6.4
356.14862	66.7
356.65012	12.8
365.15604	3.4
367.17929	4.9
372.18274	6.2
389.18958	6.7
424.32919	10.0
429.17703	4.3
434.31503	3.5
452.32333	9.1
470.21582	10.3
470.28665	7.6
470.33603	11.8
470.72037	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	470.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22404	1.1
55.05506	2.8
56.96563	1.8
57.03444	2.6
58.99590	3.0
59.04997	1.1
60.66347	0.9
61.02936	1.8
65.75686	1.0
67.05494	3.4
67.14069	0.9
69.03434	7.8
69.07075	2.8
70.06590	2.6
71.05005	10.7
71.17944	2.4
73.02924	1.8
74.00650	2.0
76.02254	1.2
79.05482	5.1
81.03414	1.6
81.07056	13.6
83.05004	2.8
85.02913	13.1
86.00647	4.3
86.99065	1.9
88.02214	8.6
88.03974	6.2
89.03915	2.2
91.05500	2.5
93.07032	3.9
95.04960	3.4
95.08616	1.8
96.08183	1.5
97.02888	6.1
97.06520	2.5
98.97585	2.9
99.02685	2.9
99.04422	1.7
99.08090	6.8
100.02190	1.2
102.03751	1.5
105.00106	2.0
105.07032	3.3
107.04964	1.2
107.08597	8.9
109.02883	1.3
109.06523	5.4
109.10168	12.9
111.02666	4.0
113.04236	4.1
114.03746	1.6
115.02152	5.7
115.03957	1.4
121.10131	5.8
122.02750	2.5
123.08094	2.0
123.11721	10.9
125.04214	1.3
125.09621	3.0
125.55473	1.2
127.03876	2.5
127.11214	1.4
128.05295	9.1
128.98622	1.0
129.03722	2.2
132.01160	8.2
132.99623	1.1
133.10156	5.8
134.02745	2.7
135.04419	3.5
135.11650	1.1
139.11205	2.3
140.05325	9.3
141.03705	7.7
145.02911	2.3
145.04933	1.8
146.02676	1.7
151.11183	18.5
155.08913	1.9
161.31183	1.1
163.03918	11.9
164.04298	3.3
165.07320	2.1
169.03291	1.3
169.12234	8.0
173.09981	2.0
174.05872	12.4
183.08382	3.7
186.05824	20.7
186.07397	1.7
187.04243	7.1
201.09459	15.4
209.09932	1.9
226.12619	6.3
227.11084	2.8
229.53819	1.0
234.96898	1.1
254.12151	4.4
255.10553	2.2
272.13150	65.2
273.11398	2.7
290.14249	27.1
291.12625	3.3
308.15265	100.0
309.15659	1.4
452.19400	2.6
470.13965	4.2
470.20441	13.9
471.14597	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
53.07494	2.3
54.17708	2.3
55.01867	5.6
55.05503	12.7
56.96567	40.0
57.03429	9.3
61.02922	26.4
65.03944	3.1
65.73642	2.6
66.20876	2.4
67.05505	20.9
68.05846	2.8
69.03438	16.7
69.07072	12.2
70.11375	8.3
71.04975	5.2
71.95254	2.8
73.02918	14.9
79.05495	20.9
79.81696	2.2
81.03413	24.1
81.07063	28.5
83.04974	7.5
83.08597	8.8
84.96025	2.5
85.02898	31.7
90.81340	2.3
91.03958	12.7
91.05463	21.2
93.07039	19.8
95.04955	9.7
95.08607	19.6
96.08951	5.1
97.02901	19.5
97.06554	7.0
98.03244	3.0
98.97572	18.0
99.04441	2.8
103.03876	3.0
105.07027	21.6
107.04914	3.4
107.08593	19.7
108.08990	3.8
109.06488	4.5
109.10139	9.8
110.10520	3.3
110.97574	7.3
111.08064	6.0
115.03986	3.0
116.98626	5.4
117.07021	4.3
119.08592	18.9
120.08927	6.1
121.06503	3.2
121.10155	12.2
122.10437	3.2
123.11687	4.6
127.03889	9.2
128.98595	7.7
129.07018	4.6
131.08562	11.7
133.10138	14.1
135.11711	7.0
139.00764	3.9
143.00220	4.0
145.04991	3.0
145.10118	9.1
146.99600	2.7
147.11691	9.6
149.01192	4.4
149.09642	3.8
149.13272	4.2
152.05794	2.4
157.10095	7.4
158.99669	3.5
159.11684	9.1
160.11992	2.8
161.01208	2.8
166.27007	2.4
171.03329	4.6
171.11607	3.5
173.13281	6.7
174.13646	3.3
175.11188	6.0
175.14801	5.5
176.15166	6.3
177.00717	5.0
185.04898	7.5
187.14946	3.1
189.16435	5.3
193.12280	10.4
203.04085	2.6
203.05956	10.0
211.06465	5.0
211.13289	11.4
211.81613	2.7
219.01724	2.9
219.17574	3.6
225.07893	2.7
229.07532	3.1
231.06941	2.7
232.46835	2.5
243.08910	8.2
249.08099	5.3
251.09572	4.8
253.10986	3.2
267.09024	71.5
267.15942	4.5
268.09439	4.9
269.10239	3.0
275.12311	8.2
275.20071	11.3
278.42899	2.4
285.10074	100.0
285.16949	11.2
286.10416	10.4
290.10626	3.9
303.11032	4.0
307.11209	3.0
308.11557	10.6
315.10782	5.2
321.04965	3.3
324.11441	24.0
328.13486	2.9
331.15802	27.5
332.15945	4.1
349.16882	53.6
349.23395	5.5
350.17200	6.4
356.14862	66.7
356.65012	12.8
365.15604	3.4
367.17929	4.9
372.18274	6.2
389.18958	6.7
424.32919	10.0
429.17703	4.3
434.31503	3.5
452.32333	9.1
470.21582	10.3
470.28665	7.6
470.33603	11.8
470.72037	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.11514	4.8
55.05498	12.6
58.99957	4.2
63.59396	5.1
67.05500	29.2
67.21818	4.9
69.07062	25.7
69.98804	9.5
69.99230	21.6
71.04971	8.6
75.11605	4.7
79.05482	11.7
80.96671	4.3
81.07052	46.5
83.08606	10.2
91.05453	15.4
93.07041	43.6
93.60557	4.5
95.04972	6.6
95.08607	64.7
97.06496	7.0
99.08087	20.5
105.07028	44.0
107.08598	58.6
109.10146	36.8
111.08078	15.7
113.10539	4.8
117.06972	8.5
119.08575	62.6
121.10152	44.6
123.11687	16.3
131.08559	24.4
133.10126	43.0
135.08089	5.5
135.11696	29.6
142.07761	6.5
143.07269	4.1
143.08543	14.7
145.10127	39.4
147.08075	5.5
147.11687	30.8
149.13226	22.0
155.08586	9.3
156.19608	5.2
157.10121	27.5
159.11682	43.9
161.09607	6.7
161.13242	23.8
163.11235	6.7
163.14795	16.6
169.10089	9.4
171.11650	19.7
173.13275	21.1
175.14815	16.9
177.16380	8.2
181.12254	11.0
183.11697	19.3
185.13261	28.9
187.14799	20.8
189.16405	25.1
191.14320	8.2
191.17957	8.8
195.11717	7.3
197.13261	10.6
199.14799	20.0
201.12677	7.8
201.16454	13.1
203.14323	7.9
203.17859	14.4
207.17464	8.9
211.14766	16.5
213.16449	12.7
215.14391	7.3
215.17857	8.3
217.15778	10.1
225.16324	6.2
241.15819	5.9
241.19528	5.7
243.13846	6.6
247.13309	23.8
251.17902	10.9
255.21063	6.6
261.14795	6.2
289.18112	6.0
318.88086	4.9
355.22498	4.8
405.31693	24.9
423.32639	35.2
433.31198	11.2
451.32132	48.1
469.27646	7.2
469.33340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.21950	3.7
55.05507	15.2
56.75333	3.6
56.96574	4.4
57.07068	4.6
62.99962	4.0
67.05501	19.9
68.34803	4.1
69.07056	16.7
69.64285	14.4
69.64692	9.9
79.05491	22.3
81.07056	55.1
81.44209	3.6
83.08633	10.1
85.02911	5.9
91.05478	27.7
93.07038	43.7
95.08617	58.4
97.06535	9.9
97.42442	3.7
98.97562	6.4
105.07037	61.2
107.07875	4.4
107.08587	64.9
109.06516	14.5
109.10162	37.7
111.08087	21.6
112.92686	3.8
115.05420	4.3
117.06989	12.2
119.08584	100.0
121.10142	38.6
123.08059	4.1
123.11678	11.9
127.74767	3.7
128.06198	5.0
129.07001	7.1
130.07790	5.9
131.08577	47.2
133.10143	37.5
135.11694	22.1
136.84004	3.7
137.09639	4.6
142.07768	10.8
143.08519	19.5
144.09351	6.6
145.10112	70.2
147.11710	54.0
149.06068	4.3
149.13287	24.0
151.11176	5.7
155.08530	4.9
157.10129	34.4
158.10919	7.1
159.11685	63.5
161.13286	31.6
163.03925	7.3
163.07521	10.0
163.14795	8.2
169.10068	13.6
171.11699	24.2
173.13263	50.6
175.14803	27.1
177.16368	14.6
179.14291	4.6
183.11681	14.0
185.13274	20.5
187.14839	40.1
189.16325	25.9
191.14314	7.7
195.11662	8.4
197.09377	4.2
197.13242	14.2
199.14857	36.0
201.12520	4.6
201.16444	39.7
203.10524	5.7
203.14363	4.9
203.17914	9.9
205.15793	24.2
207.17351	7.0
209.13226	6.6
211.14778	6.9
213.16374	14.6
215.06995	8.7
215.17952	12.1
217.15820	13.2
219.17445	8.0
223.17001	4.1
225.16356	7.6
231.17482	5.4
239.18027	5.8
245.15282	9.3
247.16951	4.0
253.19495	5.6
257.18765	4.6
259.09610	5.3
263.09467	8.7
271.20547	7.4
277.10626	10.6
281.10751	5.5
283.20660	5.5
290.10110	6.9
305.10681	7.9
347.27264	4.1
387.30569	6.0
405.31699	19.6
411.28726	9.0
423.32611	24.9
428.71555	5.1
433.30832	11.3
451.27069	3.7
451.32193	31.8
469.14810	14.9
469.33231	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.09694	2.3
55.05509	13.4
57.07063	4.2
58.66038	3.0
59.35378	2.8
66.91932	3.0
67.05503	23.4
69.07061	20.5
69.53150	19.4
71.04987	3.4
79.05494	16.3
81.07054	53.9
83.08614	8.9
85.02894	5.3
85.06528	3.2
91.05486	22.8
91.95284	3.0
93.07042	43.3
95.04989	5.9
95.08084	2.4
95.08607	68.6
97.06558	3.6
97.10159	3.8
98.97584	5.9
100.83495	3.1
105.07030	54.9
107.08595	52.8
109.06532	5.4
109.10163	40.7
111.08087	23.1
115.05377	2.7
117.07047	8.5
119.08587	66.1
121.00195	2.9
121.10157	36.9
123.08062	7.9
123.11718	13.3
129.07018	8.1
130.07796	5.2
131.08562	35.9
133.10126	37.2
135.08047	3.4
135.11684	27.9
137.09622	4.7
137.13268	3.6
141.07143	3.6
142.07794	8.4
143.08562	19.9
144.09283	2.8
145.10118	54.6
147.11690	32.0
149.05948	3.4
149.09637	3.5
149.13254	28.3
151.14764	3.9
155.08527	4.6
156.09358	4.1
157.10126	25.3
158.10876	3.7
159.11691	41.8
161.09586	5.0
161.13269	22.9
163.07545	4.0
163.11264	4.4
163.14830	8.2
165.76044	3.0
167.03448	5.0
168.03716	4.1
169.10155	8.1
170.10941	4.5
171.11696	19.8
173.13272	39.8
175.14827	23.2
177.16393	16.5
179.14453	2.9
183.11725	8.3
185.13272	19.8
187.14830	22.3
189.12837	3.8
189.16377	20.5
191.17950	14.1
197.13341	8.8
199.14851	17.6
201.12723	10.5
201.16400	28.4
203.14253	8.1
203.17995	8.8
205.15933	17.3
207.17491	6.8
211.14856	6.9
213.16373	8.2
215.07050	4.8
215.14348	6.5
215.17950	12.0
217.15977	7.2
219.13950	5.1
219.17511	5.5
229.15973	3.7
231.13791	4.5
231.17516	4.0
233.15373	4.7
245.15385	6.2
247.13324	35.9
259.09595	2.7
261.14783	16.0
275.16513	4.3
277.10498	5.3
405.31500	10.7
421.30762	3.0
423.32617	15.1
433.31104	8.9
439.31976	4.3
451.32251	26.6
469.18741	5.4
469.24838	5.2
469.33182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05503	23.7
64.29947	6.2
67.05496	23.5
69.07056	28.9
69.15591	5.8
79.05485	18.1
80.00323	5.2
81.07050	55.9
83.04974	13.6
83.08604	15.4
86.54675	5.3
91.05482	30.3
93.07055	60.4
95.04984	6.7
95.08606	69.7
99.08070	17.6
103.02962	5.9
105.07017	61.9
107.08596	73.7
109.10148	45.2
111.08104	6.6
117.06979	10.7
119.08577	100.0
121.10145	50.5
123.07990	8.0
123.11694	17.0
129.06978	7.8
131.08597	43.7
133.10138	69.0
135.11728	54.9
137.13249	8.7
141.21660	5.3
143.08551	22.5
145.10136	57.9
147.11723	38.8
149.09566	7.6
149.13229	29.8
156.09384	6.4
157.10129	26.0
159.07968	6.3
159.11685	62.8
161.09644	8.4
161.13283	32.4
163.07487	8.6
163.11159	10.4
163.14816	11.7
169.10149	18.2
171.11746	27.7
173.13251	40.0
175.14804	24.1
177.16437	16.6
179.14372	10.0
181.10094	9.6
181.12233	8.0
183.11679	21.8
185.13298	31.4
187.14850	31.0
189.12721	16.0
189.16409	37.3
191.14326	5.9
191.17920	17.6
195.11588	7.2
197.13275	11.8
199.11238	6.0
199.14774	32.5
201.12682	22.7
201.16389	27.2
203.14304	26.6
203.17990	14.2
205.15829	7.7
207.17407	12.6
209.13335	12.8
211.14781	16.6
213.16444	20.6
215.17892	8.8
217.15695	8.6
227.17975	9.0
237.16492	7.5
239.17940	10.3
243.14055	7.3
243.17216	7.4
247.13222	9.1
249.14859	10.5
251.17946	9.6
365.28342	9.8
381.31689	6.9
405.31500	31.4
407.32913	10.3
423.32513	49.2
433.31003	21.6
451.32120	77.1
469.33249	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.91617	1.7
55.05510	7.0
56.18016	2.1
58.85924	1.7
67.05502	10.4
69.03437	2.1
69.07071	15.7
70.85036	5.8
71.04990	2.1
79.05509	12.5
79.76898	1.7
81.07065	30.4
83.04984	4.1
83.08598	4.7
85.02922	3.8
91.05480	12.6
93.07044	25.1
95.08607	38.0
97.06532	3.7
97.10182	2.4
99.08112	8.1
105.07031	29.8
107.08593	47.1
107.09279	3.4
109.10155	27.0
111.08064	3.0
117.07033	6.8
119.08583	46.1
121.10143	32.2
123.08060	4.0
123.11710	13.6
129.07011	3.6
131.08554	16.6
133.10146	27.5
135.08058	3.7
135.11710	22.5
137.06047	2.0
137.09666	5.1
137.13289	4.1
142.07800	1.9
143.08536	11.6
144.09355	3.1
145.10132	24.5
147.11691	23.7
149.13246	20.6
151.11215	3.4
155.08557	2.2
157.10114	16.0
158.10867	3.2
159.11678	24.7
161.09665	5.5
161.13272	17.1
163.11215	4.8
163.14877	10.2
165.12729	1.9
167.08676	2.2
169.10211	8.7
170.10944	3.3
171.11687	11.4
173.13287	19.0
175.07576	3.0
175.11206	2.1
175.14830	15.1
177.12952	2.2
177.16426	5.2
179.14334	4.3
181.12238	2.9
182.11011	3.3
183.11655	10.4
185.09615	2.2
185.13263	11.2
187.11203	2.9
187.14816	15.1
189.12778	6.4
189.16362	23.9
191.14339	3.1
191.18031	6.9
192.95195	2.3
193.15952	3.1
197.13318	8.6
198.80652	1.8
199.11215	2.4
199.14767	13.8
201.12752	19.3
201.16444	11.6
201.32381	1.8
203.14345	3.9
203.18054	8.1
205.12244	3.5
205.15942	2.4
205.19514	3.6
207.17549	8.2
209.11681	2.7
209.13411	4.1
211.14862	5.6
213.16399	8.2
215.14365	3.8
215.18004	7.3
217.15881	6.5
219.13884	4.2
219.17482	3.0
223.14806	4.7
225.16412	6.3
227.18033	5.0
229.12263	2.5
229.15944	2.3
231.13948	2.1
239.17967	2.9
241.19600	3.7
243.13916	3.8
243.17461	3.0
245.15575	4.5
247.13275	18.4
251.18178	3.3
253.19440	5.0
255.17487	2.2
257.15100	2.8
261.14923	5.9
265.19644	4.1
267.21146	2.4
269.18927	3.7
271.16968	3.4
285.18488	2.0
285.22171	2.1
289.18231	2.6
315.19370	4.7
317.22647	2.2
354.08624	2.1
363.26993	2.0
365.28528	3.0
381.31924	4.1
387.30368	2.8
398.51843	2.0
405.31506	14.5
407.33127	2.9
423.32581	37.6
433.31213	11.4
451.32156	38.0
469.33234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03935	7.9
55.05520	26.0
64.24528	4.9
67.05506	32.0
69.03413	14.2
69.07073	41.6
69.38081	40.4
69.38489	12.5
71.04997	6.9
79.05511	27.2
81.03436	9.6
81.07062	73.8
82.07435	4.7
83.04978	8.1
83.08611	12.6
84.40014	4.7
85.02929	7.3
85.06541	9.1
91.05492	36.2
93.07051	71.0
95.04966	10.9
95.08603	85.7
97.06538	25.6
98.21513	10.5
99.08093	13.4
102.55142	4.7
105.07033	72.6
107.08598	94.3
109.06499	12.7
109.10162	67.2
111.08092	31.4
114.54476	5.1
116.06200	6.5
117.07047	13.6
119.08582	100.0
121.10133	61.1
123.08053	20.4
123.11713	26.7
125.09648	11.3
127.03926	9.2
129.07001	8.7
131.08595	47.5
133.10144	52.5
135.08032	14.4
135.11682	52.7
137.09615	9.9
137.52225	5.4
142.07776	8.7
143.08539	23.5
145.10139	85.5
147.08034	6.5
147.11703	46.6
149.09604	12.9
149.13242	28.9
149.51793	5.5
151.07529	6.5
151.11162	5.8
156.09322	7.0
157.10136	37.7
159.11676	54.7
161.02338	7.1
161.09625	13.8
161.13264	48.5
163.03918	17.1
163.07518	7.7
163.11189	10.0
163.14786	14.5
165.09174	6.4
165.12761	6.6
169.10132	18.4
171.11722	24.9
173.02330	13.7
173.13264	54.7
175.11174	9.8
175.14789	34.7
177.12822	7.2
177.16405	26.5
182.10809	5.9
183.11713	12.7
185.13222	25.2
187.11205	9.1
187.14821	46.3
189.09058	5.7
189.12714	17.3
189.14862	5.6
189.16391	33.6
191.14322	8.5
191.17970	37.1
195.11650	8.4
197.13292	17.0
199.14803	43.4
201.12715	15.1
201.16441	33.3
203.14307	17.2
203.17949	19.8
205.15862	22.5
207.11743	6.7
207.17421	9.2
207.46870	6.7
209.13202	7.7
211.14932	6.7
213.16385	17.1
215.07030	23.4
215.14317	16.0
215.17958	8.8
217.15823	14.0
219.17430	9.9
225.16319	6.7
227.14206	8.2
227.17886	7.0
231.17490	9.0
239.18040	8.9
245.15417	11.3
251.17902	7.0
259.09729	28.7
261.14801	8.1
269.19238	7.8
277.10706	19.4
405.31580	33.3
407.33078	6.1
423.32578	39.7
433.30826	23.2
441.33517	5.7
451.32135	56.5
463.01999	5.1
469.23993	10.8
469.33209	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05509	13.6
67.05483	23.0
69.07075	15.3
70.05557	13.8
70.05971	17.9
79.05470	21.2
81.07066	38.5
83.08601	10.3
86.14641	5.4
91.05466	19.2
93.07053	39.9
95.08618	57.7
97.10178	8.5
98.21461	13.4
99.08083	19.8
105.07047	47.0
107.08589	67.4
109.10150	41.2
115.62736	6.4
117.06984	10.1
119.08572	94.2
121.10134	52.3
123.11691	22.8
131.08568	27.8
133.10121	49.5
135.11693	48.2
139.12970	7.1
142.07710	7.4
143.08556	22.0
145.10121	43.7
147.11682	45.6
149.13264	14.0
155.08603	8.8
156.09212	9.7
157.10149	33.5
159.11685	53.1
161.13240	26.8
163.14819	22.0
169.10170	15.2
171.11665	18.0
173.13258	28.6
175.14818	14.7
179.14389	8.0
183.11691	28.9
185.13272	27.7
187.14827	28.6
189.12798	9.6
189.16347	39.6
191.17880	10.1
195.11778	7.7
197.13303	15.4
199.14803	21.6
201.12737	36.8
201.16373	30.1
203.14339	13.3
203.17949	20.2
205.11977	6.2
207.17421	20.7
209.11682	7.3
211.14684	12.2
213.16354	18.4
215.14391	7.4
215.17969	11.5
217.15718	9.5
225.16422	14.0
227.17984	8.0
235.13152	8.8
247.13310	20.0
251.17973	12.1
255.21230	9.5
261.14804	19.8
283.20642	8.8
315.19601	9.3
365.28232	8.4
372.58539	6.3
381.31302	16.6
387.30930	7.0
405.31522	38.4
407.33185	7.2
423.27460	7.8
423.32675	83.1
433.30942	17.9
451.32101	79.8
469.33203	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3293
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
52.91069	0.6
57.07084	0.9
58.99099	0.6
59.93847	0.6
64.98973	0.6
67.05495	1.3
69.07056	1.3
71.61948	1.1
79.05503	0.7
81.07057	1.9
89.06020	2.0
90.06366	0.8
91.05450	1.0
93.07005	2.0
95.04940	0.6
95.08577	2.1
96.13940	0.6
96.31326	0.6
96.35065	0.7
105.07048	1.2
107.08589	2.4
109.06509	0.7
109.10156	2.1
111.92368	0.6
119.08575	1.7
119.21952	0.7
121.10132	2.0
123.11700	1.1
133.08627	1.1
133.10103	2.0
134.89847	0.7
149.13300	0.9
168.25385	0.7
173.13246	0.8
175.14775	0.7
187.03668	100.0
188.03986	0.8
228.06332	3.1
284.17844	0.8
305.28183	1.6
392.40933	0.7
423.32397	1.0
451.31982	2.2
469.32883	65.0
470.33340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.69837	5.3
55.05508	17.1
57.07079	9.5
65.88718	5.8
67.05500	16.3
67.48855	6.7
69.07074	16.5
70.85378	10.8
79.05506	17.5
79.55142	5.3
81.07061	51.5
81.64445	5.1
83.08615	12.3
85.48920	5.6
91.05474	21.6
93.07040	51.0
95.08611	67.7
97.06528	7.0
99.08118	31.5
105.07048	44.4
107.08607	74.4
109.10137	43.9
117.07050	11.9
119.08574	61.4
121.10132	60.5
123.11715	19.6
131.08578	23.9
133.10175	46.2
135.11671	37.8
137.13316	5.8
143.08572	27.0
145.10114	41.3
147.11714	43.0
149.06105	5.9
149.13277	28.6
155.08559	8.8
156.09473	7.6
157.10181	35.8
159.11696	59.4
161.13280	22.8
163.11153	8.0
163.14857	18.2
169.10123	21.6
171.11732	25.2
173.13232	31.8
173.43660	5.9
174.62318	6.7
175.14792	19.0
177.16403	14.0
181.12221	19.5
183.11638	28.1
184.12532	6.5
185.13283	30.3
187.14842	26.8
189.12852	7.8
189.16397	49.3
195.11752	7.4
197.13290	17.8
199.14803	26.1
201.12758	18.5
201.16400	19.2
203.17981	20.6
207.17505	13.2
209.11679	17.7
211.14813	16.0
213.16331	27.9
215.17982	11.4
217.15994	7.6
219.17406	6.7
225.16388	9.9
227.17860	10.0
229.15796	9.1
232.90819	5.9
237.16641	9.4
239.17990	6.4
243.13748	6.3
243.17534	8.8
251.17923	9.6
255.21028	8.4
257.18890	7.6
261.14935	16.7
269.19009	14.2
271.16946	10.3
285.18408	7.5
291.21112	6.0
300.51370	5.8
303.19608	9.4
315.19482	12.1
353.24789	10.9
365.28448	10.4
367.30035	8.7
381.31644	9.1
387.30508	10.3
405.31525	35.8
407.32870	7.7
423.32703	65.9
425.34653	7.1
433.30920	25.2
451.32135	100.0
469.33118	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05499	12.0
57.03432	4.7
57.07056	5.5
58.13783	4.4
61.99046	3.7
67.05502	26.4
69.07062	24.5
69.99972	13.8
70.00385	8.9
79.05489	14.8
81.07062	41.1
83.08598	8.1
91.05466	23.9
93.07054	36.7
93.14551	3.8
95.04971	7.5
95.08596	65.2
97.06498	5.1
97.10175	4.8
99.00285	4.1
105.07035	47.7
107.07930	6.6
107.08591	59.0
109.06532	7.1
109.10137	32.9
111.08060	6.0
115.05364	4.3
116.16837	3.6
117.07016	14.9
119.08571	86.3
121.06503	5.9
121.10139	47.6
123.08115	5.3
123.11701	16.1
128.06151	7.3
129.06984	5.9
131.08533	31.6
133.10117	51.6
135.08067	6.7
135.11670	27.0
137.09651	8.2
142.07800	7.9
143.08588	19.3
145.10109	53.5
147.08084	4.6
147.11655	30.4
149.13272	15.1
155.08586	12.4
156.09337	7.1
157.10155	33.9
158.10901	7.4
159.08038	5.7
159.11688	47.4
161.09656	13.5
161.13205	24.3
163.11185	4.0
163.14795	8.7
165.12715	5.3
168.59131	4.3
169.10091	10.9
171.11711	21.6
173.06102	3.9
173.09576	7.0
173.13229	36.6
175.11108	7.8
175.14795	31.7
177.12685	4.1
177.16341	11.5
183.11707	12.0
185.13254	17.7
187.14804	34.6
189.16376	21.5
191.14299	6.1
191.17928	8.9
195.11650	5.5
197.13269	11.4
199.14819	26.6
201.12720	6.9
201.16402	27.1
203.14346	10.6
203.18007	4.8
207.17422	5.8
209.13268	7.9
211.14793	11.4
213.16405	16.2
215.14294	5.5
215.17967	9.8
217.15945	8.5
221.15407	4.7
225.16484	7.6
227.17938	9.9
229.12331	9.8
229.15710	6.8
229.19633	4.3
231.17534	9.0
233.13222	4.7
235.16902	33.9
241.19421	6.3
247.16893	8.7
249.18518	7.2
253.19427	4.6
267.21173	7.1
347.27179	4.7
387.30518	25.4
405.31534	70.1
411.36676	4.2
415.30252	4.6
423.32715	56.3
433.31320	25.7
451.32401	49.3
469.33621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
51.47352	1.0
51.63613	1.2
53.03952	2.0
55.05508	5.1
57.07071	2.8
67.05505	6.8
69.03416	2.0
69.07074	12.9
69.64145	7.2
75.57434	1.2
79.05501	8.0
80.02621	1.0
81.06575	1.2
81.07060	22.0
83.04945	1.4
83.08629	6.7
83.09035	1.3
85.02901	2.0
91.05486	7.0
93.07049	20.9
95.04990	2.1
95.08614	26.4
97.02901	1.6
97.06500	2.1
97.10168	2.2
99.08080	3.1
105.07031	24.5
107.08597	32.8
109.06531	2.1
109.10166	17.7
111.08076	3.8
117.07043	3.7
119.08582	40.0
121.10150	17.6
123.08089	2.8
123.11714	8.0
127.03921	1.6
129.07021	3.4
130.07793	1.3
131.08568	15.6
133.09119	1.3
133.10127	24.4
133.11063	1.8
135.08102	1.8
135.11688	28.7
137.09596	2.3
137.13293	3.7
141.07021	1.4
142.07814	2.6
143.08543	8.7
144.09390	1.8
145.06512	1.2
145.10123	30.7
147.08124	1.4
147.11687	21.2
149.05933	1.1
149.09671	1.8
149.13283	9.9
151.11203	3.1
155.08591	3.9
156.09366	3.9
157.10162	13.9
158.10924	2.3
159.08095	3.9
159.11696	51.9
161.09671	1.9
161.13255	13.8
163.07640	1.2
163.11163	2.8
163.14853	5.9
163.60420	1.0
165.12770	3.3
167.08496	1.4
168.09338	8.5
169.10150	5.4
171.11697	12.1
173.09634	1.6
173.13272	23.1
175.11295	1.7
175.14842	10.3
177.05492	2.6
177.12802	1.5
177.16441	4.4
179.14394	1.6
182.10890	2.2
183.11691	31.7
185.13228	14.0
187.11198	2.5
187.14804	8.1
189.12712	1.1
189.16383	26.6
191.14299	3.0
191.17943	4.3
195.11736	3.8
197.13206	8.0
199.11247	1.6
199.14812	8.4
201.12746	90.1
201.16338	8.2
202.13251	1.5
203.14302	11.3
203.17949	6.6
207.17432	34.1
209.13284	3.2
211.14894	4.5
213.16339	5.8
215.14413	9.0
215.17924	6.7
217.12286	2.2
217.15952	3.7
217.19521	3.5
219.13812	9.9
219.17368	1.6
221.13284	1.8
223.14879	1.7
225.16451	3.4
227.17966	3.8
229.15990	2.8
229.19518	1.8
233.15384	1.5
233.19107	1.4
235.20593	4.8
237.16423	2.1
239.18013	2.3
241.19537	3.4
243.13852	2.0
243.17511	2.2
243.21115	2.0
245.15410	1.3
247.10753	2.4
247.13300	45.3
249.14935	4.3
251.18054	5.0
253.19485	3.1
255.21098	1.6
257.19070	1.5
261.14853	29.7
265.19626	2.6
269.18970	3.8
271.20670	2.3
283.20596	3.1
287.20245	1.5
299.20337	2.2
315.19592	2.3
329.21170	2.0
365.28625	1.3
381.31516	15.1
387.30603	2.2
395.33267	1.4
405.31604	16.5
407.33191	2.8
423.32593	84.0
424.33051	2.4
425.34225	6.9
433.31329	5.4
451.32135	19.0
469.33218	100.0
470.33218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05509	16.8
57.07060	5.1
61.48502	3.3
63.28614	3.6
67.05503	21.3
69.03399	3.9
69.07050	15.9
70.15764	12.6
73.42101	4.1
79.05501	22.5
81.07063	44.4
83.04967	6.1
83.08604	8.0
85.02887	10.9
85.06535	4.0
91.05466	23.5
93.07056	49.1
95.04984	5.7
95.08610	66.4
97.06539	4.4
97.10169	3.7
99.04441	3.9
99.08089	5.4
105.07026	48.4
107.08599	58.7
109.06534	7.6
109.10165	36.8
111.08091	27.8
117.07001	8.3
119.07777	7.0
119.08585	100.0
121.10153	38.6
123.08057	3.5
123.11697	15.3
125.09624	4.0
129.06996	7.3
131.08571	37.1
133.10136	47.4
135.08076	7.3
135.11700	32.6
137.09587	4.7
139.11165	5.1
143.08542	14.5
144.09366	5.5
145.10124	61.4
145.11203	3.3
147.11674	32.4
149.13268	30.5
156.09320	3.7
157.10114	27.2
159.11703	40.6
161.09631	5.0
161.13206	36.3
163.11147	6.2
163.14793	11.7
169.10069	4.5
171.11693	24.7
173.13281	39.2
175.11205	5.2
175.14844	25.2
177.12784	5.9
177.16348	14.2
179.14297	4.0
183.11684	7.6
185.13237	19.5
187.14825	32.8
189.12729	10.5
189.16380	22.1
191.14259	9.4
191.17949	5.5
195.11682	4.2
197.13263	12.9
199.14835	39.8
201.16364	31.5
203.14215	6.2
203.17979	8.6
205.15913	18.7
207.17493	9.7
209.13361	3.5
209.15422	7.1
211.14792	5.6
213.16348	14.6
215.14291	10.4
215.17882	11.5
217.15955	7.5
219.17401	7.7
223.14861	4.3
223.16798	5.0
227.14275	3.6
227.18053	8.0
229.15811	6.7
231.17407	5.6
239.17856	7.0
245.15329	6.3
247.17044	4.4
253.19470	5.6
277.10724	5.7
281.22623	5.1
405.31625	18.3
407.33154	4.3
421.31192	6.9
423.32578	28.1
425.34195	4.4
433.30911	14.7
451.32306	34.6
469.33481	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	469.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91069	0.6
57.07084	0.9
58.99099	0.6
59.93847	0.6
64.98973	0.6
67.05495	1.3
69.07056	1.3
71.61948	1.1
79.05503	0.7
81.07057	1.9
89.06020	2.0
90.06366	0.8
91.05450	1.0
93.07005	2.0
95.04940	0.6
95.08577	2.1
96.13940	0.6
96.31326	0.6
96.35065	0.7
105.07048	1.2
107.08589	2.4
109.06509	0.7
109.10156	2.1
111.92368	0.6
119.08575	1.7
119.21952	0.7
121.10132	2.0
123.11700	1.1
133.08627	1.1
133.10103	2.0
134.89847	0.7
149.13300	0.9
168.25385	0.7
173.13246	0.8
175.14775	0.7
187.03668	100.0
188.03986	0.8
228.06332	3.1
284.17844	0.8
305.28183	1.6
392.40933	0.7
423.32397	1.0
451.31982	2.2
469.32883	65.0
470.33340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93232	1.7
51.96936	2.1
53.03950	2.6
55.05520	13.8
56.96574	3.1
57.03442	2.9
57.07071	4.1
57.70873	1.9
67.05513	20.4
68.03410	2.0
69.00569	2.2
69.03429	5.2
69.07072	14.7
71.04993	4.8
71.61845	2.5
73.02918	4.6
79.05488	17.6
81.07060	45.4
83.04984	4.6
83.08606	9.0
85.02904	7.9
85.06541	2.9
91.05490	17.6
93.07050	42.1
95.04978	5.5
95.08608	61.2
95.89311	2.2
97.02906	3.8
97.06537	7.4
97.10191	4.4
98.09698	4.8
98.97597	11.5
99.08092	6.3
100.07571	3.2
100.11221	5.1
105.07029	36.5
107.08593	47.2
109.06528	5.0
109.10168	28.1
110.97591	2.8
111.04445	3.8
111.08080	12.0
115.03938	1.9
116.10790	2.1
116.98680	3.4
117.07010	5.9
119.08589	45.7
121.10144	27.7
123.08084	4.0
123.11727	11.6
127.03922	3.1
128.06239	2.7
128.98560	2.3
129.07005	4.3
130.07794	2.0
131.08563	24.3
133.10129	22.1
135.08070	3.2
135.11703	25.8
137.13272	2.5
141.12790	3.3
142.07788	4.1
143.00212	2.9
143.08562	14.1
144.09396	3.3
145.10126	29.5
147.08078	3.5
147.11679	20.8
149.09682	3.1
149.13255	28.1
149.14340	2.9
151.14832	3.1
155.08540	4.5
156.09302	3.0
157.10138	18.3
157.12242	2.5
158.10890	3.9
158.99634	3.8
159.11687	29.1
161.06129	2.4
161.09607	3.2
161.13284	15.2
163.03934	5.1
163.14816	6.2
164.07057	2.5
165.09105	2.0
169.10155	5.0
170.10928	4.3
171.11751	12.5
173.13303	27.4
175.11215	2.2
175.14847	12.5
177.05499	2.6
177.16455	10.1
179.03819	2.4
182.15480	6.3
183.11696	7.5
185.13266	18.0
187.14848	13.4
189.00671	2.2
189.12650	3.1
189.16397	14.7
191.14278	4.6
191.17992	8.1
195.11798	2.5
197.13269	5.0
198.14977	4.7
199.14821	16.2
201.12770	9.9
201.16435	15.5
203.14299	9.1
203.17955	5.6
205.15875	14.2
207.17436	2.1
210.14951	5.5
211.14906	2.9
213.16408	3.6
215.07013	10.5
215.14325	6.9
215.17961	7.4
217.15872	4.9
219.01779	5.0
219.13857	2.4
219.17409	4.4
225.16353	3.2
226.14362	4.5
227.17982	4.6
229.15857	2.9
233.15385	2.7
237.02858	4.4
239.18057	2.5
240.14821	2.2
241.19482	2.5
245.15353	6.7
247.13281	45.7
252.09422	2.4
254.09111	2.3
259.09738	5.8
261.14835	14.3
263.16568	2.7
271.22849	2.3
277.10703	6.0
323.07806	10.5
337.21347	3.2
341.09302	7.4
354.23819	4.4
405.31735	4.3
423.32684	6.6
433.30887	6.8
434.23383	1.9
439.32092	2.3
451.31985	16.5
452.31165	4.9
469.14597	8.2
469.19974	4.5
469.33188	100.0
470.33557	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	469.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01868	2.6
55.05507	9.3
55.84577	2.0
57.03421	2.8
57.07082	2.2
59.05005	2.7
65.03931	2.2
67.05499	9.9
69.03412	3.2
69.07072	16.1
79.05492	19.1
81.03415	3.1
81.07061	34.6
83.04972	3.2
83.08599	3.7
85.06538	3.9
91.05490	32.1
93.07049	41.5
95.04968	7.5
95.08596	31.5
97.06518	9.5
105.06376	4.8
105.07037	63.2
107.08598	47.2
109.06486	8.4
109.10162	14.3
111.08078	5.7
115.05427	3.7
117.07037	12.0
119.08588	100.0
120.13187	2.5
121.06508	12.6
121.10141	33.2
123.11654	3.8
125.09615	3.2
128.02896	2.1
129.07008	13.5
130.07759	3.9
131.08578	40.3
133.06471	3.8
133.10147	36.6
134.04301	2.2
135.08109	10.8
135.11707	15.3
139.07512	2.3
141.06944	4.8
142.07782	5.2
143.08562	23.4
144.09300	7.2
145.06438	3.7
145.10143	50.4
147.08069	9.3
147.10641	2.8
147.11707	28.7
149.05971	3.1
149.09579	7.2
149.13251	5.1
151.07509	4.5
153.09152	2.8
155.08539	5.2
156.09348	13.4
157.10129	23.8
158.10907	3.1
159.08043	4.7
159.11710	48.0
161.09602	11.0
161.13268	40.3
163.03873	5.6
163.11166	8.3
163.14819	7.9
165.09145	4.2
167.08554	3.8
169.10139	9.4
170.10922	2.3
171.11711	31.7
172.12405	3.1
173.02312	6.0
173.09659	7.3
173.11938	3.1
173.13280	40.0
175.11180	6.1
175.14830	21.7
181.10107	2.9
183.11658	7.4
185.09682	2.6
185.13290	24.8
187.11206	4.9
187.14810	25.5
189.12764	19.9
189.16403	9.8
191.14275	6.8
195.11678	4.4
197.13223	11.5
199.11147	4.2
199.14737	10.7
201.12814	10.7
201.16409	7.3
203.14287	19.8
205.15814	4.2
207.11887	2.9
207.13751	8.0
208.12645	2.9
211.14836	5.8
211.86113	2.4
213.12761	3.5
213.16391	3.5
215.07045	7.4
215.14357	15.7
217.12270	16.4
217.15906	4.6
219.13824	8.1
223.14789	4.5
225.16412	3.3
229.09636	2.9
233.15398	4.8
235.13284	71.2
237.16420	2.9
239.17914	3.3
243.13921	2.7
245.15390	2.6
247.13293	3.7
253.15755	4.1
255.17424	3.7
259.09579	9.9
261.14844	6.3
275.00256	2.2
277.10721	6.6
278.18253	2.0
289.25070	3.4
369.25397	2.7
387.26807	13.7
405.27805	20.6
407.29581	2.9
407.69608	2.1
415.26120	5.4
423.28845	36.5
433.27396	8.4
451.28036	19.3
469.29236	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	469.2949
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.20214	2.9
55.01873	3.5
55.05519	22.0
63.87474	3.1
65.03918	3.0
67.05502	16.6
69.03441	6.3
69.07079	19.1
69.45444	19.9
78.60699	3.0
79.05498	22.0
81.07059	37.7
83.04998	4.6
83.08624	12.0
84.47281	2.9
85.02924	5.1
85.06512	6.4
91.05474	35.9
93.07049	43.4
95.04961	5.0
95.08614	40.2
97.06554	19.0
98.21461	5.2
103.05493	5.7
105.07033	57.6
107.04955	4.2
107.08587	73.8
107.09272	5.2
109.06538	8.7
109.10146	23.3
111.08070	8.0
117.07004	13.0
119.08577	100.0
121.06518	14.1
121.10138	39.6
123.08080	8.1
123.11713	6.6
125.09631	3.9
128.06197	5.0
129.07013	10.7
130.07802	4.0
131.08568	34.6
133.06538	6.0
133.10130	43.8
135.08086	16.2
135.11690	20.0
137.09663	3.9
142.07768	10.0
143.08560	25.0
144.09344	8.1
145.10106	52.5
147.08029	15.7
147.11685	32.6
149.09654	5.7
149.13292	14.9
155.08595	8.6
156.09337	8.0
157.10147	29.6
158.10867	5.9
159.08034	8.0
159.11705	51.9
161.09660	14.7
161.13264	34.2
163.03908	9.8
163.07516	5.5
163.11133	6.9
163.14836	5.6
163.85342	3.4
165.07076	3.4
165.09142	6.1
168.09279	3.2
169.10170	14.3
170.10957	4.7
171.11707	32.3
173.02351	8.2
173.09633	6.2
173.13249	40.1
175.11194	12.0
175.14819	23.9
177.12753	5.0
177.16403	4.1
179.10667	28.9
181.10117	7.5
181.12280	3.4
182.10887	4.3
183.11717	12.5
185.09579	4.5
185.13271	23.7
187.11203	15.3
187.14812	21.6
189.12752	14.2
189.16425	9.6
191.14349	8.9
191.17964	9.7
195.11650	8.5
197.13242	13.6
199.11185	8.0
199.14795	16.9
201.12685	18.2
201.16371	15.1
203.10619	4.0
203.14355	10.2
203.17966	4.9
205.12222	17.1
205.15851	8.2
207.11798	4.8
209.13232	7.8
211.14914	8.0
213.12781	4.9
213.16356	9.8
215.07008	9.7
215.14351	14.3
215.17931	5.9
217.10344	3.3
217.12260	12.8
217.15747	6.7
219.13741	13.6
221.13373	4.0
223.14929	7.7
225.12575	3.5
225.16393	10.6
227.17905	4.4
229.15909	4.2
231.13828	5.6
233.13287	5.1
233.15366	6.1
235.13133	14.7
237.16528	6.0
239.17955	7.5
241.15857	5.2
243.17575	3.2
245.15448	3.6
251.18018	7.4
253.19261	3.4
255.17467	3.9
259.09714	19.0
259.17065	3.8
265.19504	4.9
269.19110	5.7
271.17172	4.8
277.10764	12.1
297.18555	3.5
339.09360	3.4
369.25891	3.0
377.28409	4.3
387.26727	13.4
395.29330	3.4
405.27774	44.6
405.32233	3.0
423.28403	35.3
430.73367	3.2
433.27258	18.0
449.42084	3.3
451.27945	49.7
469.29135	86.6
470.30020	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1685
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
50.78017	0.5
53.03952	0.7
55.01870	0.7
55.05521	0.7
56.00243	0.5
60.22234	0.5
61.37254	0.5
67.05501	1.4
69.03429	1.1
69.07063	1.6
69.68632	1.5
69.69036	2.1
70.07389	0.5
70.97694	0.5
71.04990	1.1
72.79344	0.6
73.02917	1.5
81.03377	0.5
83.01112	0.9
85.02911	2.0
91.05479	1.0
93.07030	0.6
95.01095	1.5
95.04975	4.2
97.02952	1.0
98.97576	1.7
112.01372	0.7
113.02115	2.4
115.55720	0.5
121.10126	0.6
123.03827	0.4
123.04454	4.8
123.08104	0.5
124.07558	0.8
127.03907	0.9
137.05952	0.8
139.11169	1.0
140.04700	1.1
141.06944	0.6
155.07007	2.8
157.04733	0.7
157.12279	1.6
158.12520	1.3
161.06009	0.8
163.04002	0.6
167.07072	1.2
169.06334	0.5
181.04961	2.1
183.06519	5.9
185.04257	3.4
201.03716	1.0
207.06499	0.6
208.07245	0.7
213.08986	0.5
217.04726	1.8
219.01939	0.7
225.07851	0.8
232.07083	10.7
234.08795	1.0
243.08432	0.6
259.07800	2.6
275.08963	1.2
277.10736	2.2
304.86725	0.5
307.12872	1.0
307.21112	0.6
438.15100	1.5
439.15881	1.1
469.16815	100.0
470.17279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.1
53.68852	0.9
55.01861	4.0
56.58307	0.9
56.96555	1.0
59.38741	0.9
61.02931	1.3
65.03933	3.9
66.04695	1.4
67.05504	5.7
68.23675	1.2
69.07052	1.2
69.42225	7.0
71.01347	1.4
73.02910	2.2
77.03893	1.9
79.05480	2.7
81.03413	2.7
81.07056	1.8
81.46678	1.2
82.03764	1.1
85.02892	3.3
91.05466	4.4
93.07047	2.4
95.04971	69.7
95.08596	1.7
98.97591	1.7
99.35484	0.9
105.03404	1.0
105.04494	4.2
105.07038	1.4
107.04940	2.7
108.02065	2.8
109.06502	1.8
110.03645	1.5
111.04452	2.3
113.02340	1.1
119.08628	1.1
121.10117	2.3
122.10425	1.2
123.04431	77.5
125.02338	1.8
125.06007	1.2
133.02853	3.6
133.06505	2.4
135.04420	2.0
137.05983	5.8
139.11162	1.8
140.04684	23.1
140.11491	1.2
147.04381	2.3
148.05278	1.0
149.06018	1.9
151.07547	2.7
153.05489	2.7
154.06198	1.1
155.07036	47.1
161.05948	1.7
163.03862	1.0
165.05472	9.2
166.06239	1.3
167.07054	19.0
177.05502	4.8
179.07018	3.3
180.07803	3.0
181.04962	25.3
182.05736	1.5
183.06538	100.0
189.09155	1.7
193.04997	5.0
195.06584	4.9
197.08049	1.5
207.06400	4.7
208.07326	8.2
209.08138	5.1
215.07109	1.3
225.05450	1.7
225.07581	21.9
226.08304	6.4
227.09143	2.6
231.10466	1.0
259.09753	1.5
268.96170	1.2
269.10327	1.5
277.10629	4.1
327.97568	1.0
469.16745	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	468.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07465	8.2
55.05505	18.4
57.07061	34.7
67.05497	69.1
68.05838	12.9
69.07069	17.1
69.53116	32.8
69.53545	39.0
71.08621	15.2
74.31995	8.2
79.05496	17.5
81.07058	100.0
83.08590	17.7
85.10181	12.1
86.46571	9.0
89.05631	8.9
89.06041	99.4
93.07048	23.1
95.08594	55.8
98.21506	10.0
104.66570	9.2
105.06991	15.8
107.08608	10.6
109.10164	46.7
117.72042	8.5
119.08553	15.3
121.10122	15.5
132.42616	9.0
133.08614	46.6
133.10106	15.5
135.11729	11.1
137.13222	17.7
145.80147	10.3
173.11679	10.9
174.33725	8.7
177.11252	17.9
183.40025	8.4
185.22075	9.2
187.03659	35.6
212.23776	17.4
231.08171	9.7
239.23651	11.2
279.23227	14.1
283.17560	53.9
394.00644	10.1
437.34155	25.2
468.29593	21.3
468.37070	28.5
468.46915	12.2
469.32861	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.8
55.01871	4.3
55.05511	2.4
55.39533	1.1
56.96566	1.7
57.03462	1.2
61.02922	2.3
65.03939	3.4
67.05494	6.1
69.03424	3.4
70.06578	1.4
71.01331	1.6
71.04980	2.3
71.61547	1.9
73.02908	2.4
79.05498	3.8
81.03408	2.6
81.07054	3.7
83.04980	3.4
83.08636	1.9
85.02911	5.6
85.06532	1.9
91.05495	7.0
93.03388	1.6
93.07054	1.7
95.04970	67.5
95.08610	2.5
97.02883	2.9
97.06532	3.0
98.09683	2.3
98.97606	2.5
100.11266	1.8
105.03400	1.7
105.04552	5.4
105.07021	1.8
106.29472	1.1
107.04951	4.0
107.08578	2.3
108.02101	1.5
109.06498	2.6
109.10172	1.5
111.04449	4.6
116.98638	1.7
119.04990	2.0
119.08596	1.7
121.06474	2.5
121.10091	1.4
122.49558	1.3
123.04434	76.4
125.02388	1.8
125.05987	1.7
133.02841	4.2
133.06416	1.1
133.10141	1.5
135.04401	2.4
135.11676	1.8
137.05994	6.9
140.04678	20.2
142.02585	1.3
143.00104	1.1
143.08624	1.3
145.06618	1.3
147.04396	1.4
149.05992	3.2
151.03856	1.8
151.07552	1.3
153.05489	4.0
155.07033	43.8
158.99692	2.4
161.05952	2.3
163.04015	2.4
165.05530	9.0
166.06302	1.5
167.07045	21.2
167.08430	2.4
168.82959	1.3
170.83650	1.5
173.00078	1.3
175.07608	1.4
177.05507	4.8
177.06894	1.1
179.07022	3.4
180.07796	4.0
181.04951	27.0
183.06537	100.0
187.07513	1.5
189.09148	2.1
193.04970	4.1
193.93080	1.6
195.04994	1.3
195.06480	5.6
197.11734	1.7
201.09134	1.2
207.06578	4.3
208.07346	8.2
209.08118	6.8
211.05981	1.7
217.08780	2.0
219.06537	1.8
221.05876	1.7
225.07576	23.1
226.08423	7.1
227.09198	2.6
231.10181	1.3
239.07016	1.6
243.08742	1.3
252.09396	1.7
260.09164	4.9
260.59329	3.7
261.09708	3.4
263.09598	1.3
277.10739	9.4
282.57260	1.2
295.05954	5.2
443.75565	1.2
451.32770	4.7
469.16513	18.3
469.33862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
54.30249	1.8
55.01864	7.2
55.05511	12.4
57.03434	17.2
57.07072	15.9
61.02923	15.4
67.05498	6.3
69.03068	2.8
69.03428	41.5
69.07069	20.2
71.01352	3.7
71.04980	6.1
71.08627	3.4
73.02917	80.3
79.05473	7.1
81.03410	8.7
81.07058	19.0
83.04984	2.5
83.08614	45.3
85.02903	100.0
87.04442	5.0
91.03932	2.3
91.05463	7.1
93.07035	11.9
95.04970	3.8
95.08598	17.8
96.08931	3.3
97.02891	63.3
97.06496	6.2
97.10158	7.4
98.97584	4.7
99.04461	2.9
99.08070	2.9
99.40821	1.6
103.03922	3.4
105.07028	12.0
107.08595	13.8
108.08929	2.9
109.02863	7.9
109.06471	3.4
109.10137	10.1
111.04398	3.0
111.08041	2.4
115.03928	31.2
116.98600	2.8
117.07011	4.0
119.08590	15.7
120.08897	4.1
121.10116	8.7
123.08099	2.3
123.11701	4.8
127.03919	31.3
129.05452	2.1
131.08553	8.2
133.04962	35.4
133.10107	9.3
134.10440	3.3
135.04373	3.7
135.11674	5.1
136.12000	2.2
137.13268	2.6
143.08531	4.3
145.04961	37.2
145.10114	9.3
146.10469	4.3
147.11661	6.1
148.12013	3.1
149.13287	4.3
150.07585	4.3
157.10107	8.1
157.15894	37.0
158.10489	2.9
159.11667	8.9
160.12024	3.5
161.13258	5.8
163.03920	9.7
163.06007	13.1
163.11169	2.4
163.14836	4.2
167.08560	2.0
169.10129	2.9
171.11681	4.9
172.12080	2.2
173.13260	5.6
174.13545	2.5
175.11201	2.0
175.14787	3.2
177.05531	2.0
183.11649	3.8
187.14827	3.2
188.15163	2.0
191.17865	2.1
197.13132	3.1
198.13792	2.0
199.05937	2.2
199.14813	5.5
200.15083	2.7
201.16418	1.9
203.14360	2.1
203.17995	3.0
205.19553	1.9
211.14835	2.8
212.15132	2.5
213.16393	2.0
217.07069	2.3
217.15894	2.9
217.19087	2.3
223.06006	7.0
226.16978	2.1
235.16852	3.3
241.08571	7.6
245.05058	10.7
246.05380	2.2
259.07944	6.0
259.09955	2.3
283.19006	2.3
299.32043	1.9
358.09930	1.7
404.30447	3.9
422.31232	4.9
432.29822	2.2
450.30731	5.0
468.31876	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13579	1.7
53.03955	1.4
55.01870	1.5
55.05514	16.2
57.03436	3.4
57.06816	2.7
57.07076	34.6
58.61583	1.4
59.05005	4.2
65.03944	2.9
67.05508	100.0
69.07067	11.6
71.00816	3.4
71.04993	2.5
71.08631	24.2
79.05493	6.2
81.03394	2.6
81.07056	38.4
83.08628	16.1
85.06531	4.6
85.10166	9.3
91.05474	12.1
93.07048	16.0
95.04978	3.0
95.08038	2.5
95.08605	33.7
97.06564	2.5
97.10156	8.3
105.07046	9.0
107.08598	15.6
109.06502	2.9
109.10159	74.0
109.10915	3.6
111.08077	4.7
117.06998	1.8
119.08578	13.6
121.06492	1.5
121.10155	6.6
123.08051	1.9
123.11724	7.3
125.05938	2.4
131.08566	6.9
133.10120	7.4
135.08055	2.7
135.11688	5.9
137.09593	4.5
137.13243	3.5
140.91626	1.5
143.08560	3.1
145.10158	7.3
147.11728	5.3
149.13243	2.3
151.11195	2.6
155.08618	2.2
155.10638	4.4
157.10144	5.1
159.11687	6.0
161.09654	2.2
161.13248	3.0
163.11179	2.0
163.14830	3.7
169.10083	2.0
171.11676	2.8
173.11780	24.1
173.13252	3.8
175.11168	1.8
175.14919	2.5
177.12657	2.0
183.11629	1.9
185.13245	3.2
187.14740	3.7
189.16444	3.1
191.17876	2.4
195.11772	1.8
197.13281	2.2
199.14822	2.1
211.41551	1.5
213.16490	2.3
215.17856	1.7
233.15381	2.8
239.23660	8.2
252.12839	1.7
259.16946	1.9
267.12738	1.6
328.99841	1.6
421.30826	5.5
449.30310	5.2
467.31567	20.8
467.37131	66.5
468.37558	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	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
60.30655	3.5
64.27412	2.7
67.05492	5.0
68.98486	2.5
69.03439	3.7
69.07074	4.4
69.37811	26.3
70.06579	3.6
71.04980	5.0
73.68087	3.0
74.85575	2.6
79.05483	13.0
81.07067	23.5
83.04978	6.6
83.08610	3.1
85.02876	5.4
85.06534	3.9
86.09697	9.7
91.05464	4.7
93.07040	28.9
95.04984	6.7
95.08604	21.1
97.06535	20.7
98.21494	5.7
99.04449	9.4
104.10738	24.7
105.07037	15.8
107.08591	14.2
109.06518	15.5
109.10204	3.5
111.04443	3.7
111.08070	7.2
113.06010	4.6
116.04533	3.0
119.08589	12.7
121.06507	47.8
123.08037	3.5
123.11714	5.1
125.00002	8.5
125.05986	8.6
127.07536	9.4
133.10126	8.6
135.08055	9.0
138.64058	3.1
139.07541	12.2
139.70619	3.2
143.07056	7.0
145.02670	2.9
145.10075	4.3
147.11664	23.8
151.11156	3.1
157.08595	9.6
157.10117	8.8
161.13266	7.3
164.64709	3.1
165.12701	8.4
167.03433	8.2
169.12245	7.4
171.11687	10.1
175.11192	17.9
184.07399	22.2
189.12730	14.5
193.12292	16.8
199.11197	19.5
207.13791	7.6
211.13301	19.2
217.12221	51.5
229.14215	4.0
235.13287	80.7
243.92693	3.5
253.14372	100.0
271.15363	17.4
281.09763	3.8
289.16583	17.1
304.05276	4.0
305.05328	4.5
432.33075	3.7
442.06085	3.3
468.23538	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13579	1.7
53.03955	1.4
55.01870	1.5
55.05514	16.2
57.03436	3.4
57.06816	2.7
57.07076	34.6
58.61583	1.4
59.05005	4.2
65.03944	2.9
67.05508	100.0
69.07067	11.6
71.00816	3.4
71.04993	2.5
71.08631	24.2
79.05493	6.2
81.03394	2.6
81.07056	38.4
83.08628	16.1
85.06531	4.6
85.10166	9.3
91.05474	12.1
93.07048	16.0
95.04978	3.0
95.08038	2.5
95.08605	33.7
97.06564	2.5
97.10156	8.3
105.07046	9.0
107.08598	15.6
109.06502	2.9
109.10159	74.0
109.10915	3.6
111.08077	4.7
117.06998	1.8
119.08578	13.6
121.06492	1.5
121.10155	6.6
123.08051	1.9
123.11724	7.3
125.05938	2.4
131.08566	6.9
133.10120	7.4
135.08055	2.7
135.11688	5.9
137.09593	4.5
137.13243	3.5
140.91626	1.5
143.08560	3.1
145.10158	7.3
147.11728	5.3
149.13243	2.3
151.11195	2.6
155.08618	2.2
155.10638	4.4
157.10144	5.1
159.11687	6.0
161.09654	2.2
161.13248	3.0
163.11179	2.0
163.14830	3.7
169.10083	2.0
171.11676	2.8
173.11780	24.1
173.13252	3.8
175.11168	1.8
175.14919	2.5
177.12657	2.0
183.11629	1.9
185.13245	3.2
187.14740	3.7
189.16444	3.1
191.17876	2.4
195.11772	1.8
197.13281	2.2
199.14822	2.1
211.41551	1.5
213.16490	2.3
215.17856	1.7
233.15381	2.8
239.23660	8.2
252.12839	1.7
259.16946	1.9
267.12738	1.6
328.99841	1.6
421.30826	5.5
449.30310	5.2
467.31567	20.8
467.37131	66.5
468.37558	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.3
57.03436	2.9
57.07076	41.9
59.04990	4.1
65.03939	2.8
66.68226	1.0
67.05505	99.8
69.03414	1.2
69.07064	11.0
69.88804	3.9
69.89205	1.6
71.04987	3.5
71.08633	26.8
79.05492	4.8
81.07059	28.5
81.72416	0.9
83.08626	17.7
83.99329	0.8
85.06543	3.6
85.10188	14.7
85.10661	1.8
89.06034	2.2
91.05476	10.5
93.07048	7.0
95.05004	1.3
95.08607	30.9
96.83675	0.9
97.02871	1.3
97.06512	1.2
97.10162	5.6
98.98447	2.8
99.04472	1.1
99.08086	1.5
99.11709	1.6
105.07027	2.8
107.08578	4.2
109.06548	1.6
109.10156	77.8
111.08083	4.0
111.11701	1.8
116.22457	1.0
119.08584	8.6
121.10165	3.2
123.08097	1.2
123.11717	5.5
125.13296	1.6
131.08572	1.7
133.08572	1.0
133.10146	6.5
135.11679	1.7
137.09634	2.1
137.13268	3.2
142.69063	0.9
145.10106	2.1
147.11765	1.3
155.01054	1.5
155.10635	5.9
157.10103	1.2
158.13750	1.0
159.11667	1.8
161.13293	1.2
173.11752	24.1
187.11211	1.1
187.14857	1.2
197.13292	1.1
203.14357	1.1
221.22719	1.3
239.23671	7.7
255.09224	1.1
267.09006	1.3
305.51376	1.1
313.27435	3.7
315.10968	1.3
376.78732	0.9
430.50107	0.9
431.35791	1.2
443.23434	0.9
467.31427	10.3
467.37320	100.0
468.37622	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05508	15.7
57.03452	1.1
57.07077	38.0
59.04991	4.7
59.06115	3.6
62.17469	1.1
62.79741	1.2
65.03938	2.9
67.05506	100.0
69.07075	15.0
70.04208	5.3
71.04987	3.3
71.08276	1.5
71.08636	23.0
77.55875	1.1
79.05505	5.5
79.21210	1.3
81.07058	36.8
82.36546	1.2
83.08620	15.1
85.06563	2.1
85.10187	14.4
91.05470	8.7
93.07061	7.7
95.04957	1.5
95.08614	29.6
97.10163	6.7
105.07030	4.2
105.92443	1.1
107.08604	8.8
109.06501	1.5
109.10157	81.5
110.10457	1.5
111.04406	1.3
111.08068	2.9
111.11732	2.2
114.41989	1.4
117.07037	1.3
119.08614	9.9
121.10140	3.4
123.08057	3.2
123.11700	7.6
125.13230	1.2
131.08563	3.2
133.08644	1.2
133.10147	3.9
135.11682	2.8
137.06009	2.8
137.09644	3.6
137.13272	3.1
143.08574	1.7
145.10165	5.0
147.11635	2.8
149.13309	2.5
151.14807	1.5
155.10684	5.1
157.10123	3.1
159.11703	4.2
160.90211	1.1
161.13196	2.1
165.09053	1.4
169.10229	1.7
171.11745	2.8
173.11772	24.7
173.13264	4.0
175.14886	1.7
185.13202	1.6
187.14799	1.8
189.16347	2.0
191.10640	1.8
199.14833	1.8
201.16336	1.8
216.92752	1.3
217.12234	2.2
217.15851	1.7
231.13824	1.4
239.23705	8.1
241.19356	1.3
271.59647	1.3
403.35959	1.7
413.34283	1.3
449.29968	2.6
467.31421	15.1
467.37363	77.2
480.08322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3499
Annotation	Vitamin K1 oxide
Peak:m/z	Relative Intensity
52.31373	0.4
52.54292	0.4
53.03960	0.6
55.05511	1.4
57.07081	1.9
62.26300	0.4
63.84119	0.4
65.03943	0.5
67.05510	4.9
68.24012	0.4
69.07077	1.9
71.08632	1.9
71.62119	0.5
79.05483	1.2
81.07069	3.8
83.08623	1.3
85.10181	0.8
89.06044	2.0
91.05499	1.3
92.27709	0.4
92.53277	0.5
93.07053	1.5
95.08607	3.6
97.06559	0.5
97.10191	0.6
98.98500	1.1
105.07030	3.1
107.08605	2.2
109.06558	0.6
109.10158	4.6
117.06966	0.5
118.77499	0.4
119.08598	3.1
121.06513	0.5
121.10176	2.0
123.08081	0.5
123.11763	1.3
129.07042	0.5
131.08601	0.9
133.08653	1.2
133.10158	1.3
135.11734	1.3
143.08560	0.8
145.10077	2.2
147.11755	1.6
149.13287	0.5
151.07565	0.6
155.01074	0.8
155.08548	0.5
157.10120	0.9
159.11737	0.7
161.13339	1.0
163.14854	0.6
169.10176	0.5
171.11774	1.1
173.11781	0.9
173.13332	1.4
175.14914	0.9
177.11320	0.5
181.10017	0.5
183.11746	0.5
185.13474	0.5
187.14809	3.7
189.16306	0.9
197.13344	0.6
199.14775	0.5
201.16451	1.4
203.17920	0.5
215.14285	0.5
247.16985	1.2
262.80566	0.6
283.17804	0.5
309.20459	1.5
313.27365	1.6
356.76151	0.5
365.25241	0.5
421.31152	1.5
439.32397	0.9
449.30161	0.7
467.35147	100.0
468.35434	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07082	2.3
67.05511	5.1
68.03419	0.4
69.07069	1.0
70.31821	0.4
71.08635	1.3
71.62034	0.7
75.95902	0.3
79.05486	1.1
81.07065	3.2
83.08627	1.4
85.10175	0.5
91.03971	0.4
91.05480	1.2
93.07061	1.6
95.04990	0.4
95.08604	3.0
97.02868	0.3
97.06618	0.4
98.98450	0.5
105.07032	1.2
106.74703	0.4
107.08621	1.4
109.10152	3.6
119.08597	1.9
121.10152	1.2
123.11715	0.8
131.08656	1.0
132.40904	0.4
133.10162	1.5
135.11778	0.9
137.05908	0.4
143.08585	0.6
145.10130	1.1
147.11768	1.0
149.09665	0.7
149.13261	0.5
151.07503	0.5
161.13235	0.5
165.09073	0.5
169.27670	0.4
171.11668	0.6
173.11821	0.8
173.13249	0.7
175.14812	0.6
185.13330	0.8
189.16389	0.7
196.55028	0.4
199.14888	0.6
266.84845	0.5
431.29675	0.6
449.30582	1.3
467.35141	100.0
468.35406	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	467.3499
Annotation	Vitamin K1 oxide
Peak:m/z	Relative Intensity
52.78390	0.2
55.05502	1.0
57.07063	0.9
59.30333	0.3
61.17666	0.3
67.05506	3.3
69.07074	0.8
69.64345	1.8
71.08627	0.8
79.05502	0.7
81.07068	1.6
83.08605	0.6
85.06552	0.3
85.10181	0.4
91.05471	0.6
93.07036	0.9
95.08610	1.7
96.67461	0.2
105.07038	1.1
107.08595	0.9
109.10149	2.4
119.08559	0.9
121.10147	1.2
123.11711	0.7
131.08574	0.4
133.10133	0.9
137.13280	0.3
145.10136	0.4
147.11667	0.5
157.10130	0.6
159.08075	0.3
159.11731	0.8
161.13295	0.4
163.14780	0.3
171.11737	0.5
173.11765	0.6
173.13219	0.7
183.11781	0.4
185.13304	0.5
189.16339	0.4
195.35440	0.3
203.14299	0.3
211.14946	0.3
217.12366	0.4
239.23732	0.3
260.54404	0.3
376.63120	0.3
379.22855	0.3
421.31024	0.7
437.30182	0.4
449.30762	1.0
467.35083	100.0
468.35483	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.3
57.03437	3.2
57.07072	4.4
65.03944	2.5
67.05502	23.1
69.03425	3.6
69.07071	26.0
70.79787	4.8
75.65895	2.8
79.05479	16.8
81.07056	37.3
83.04978	8.6
83.08619	6.3
85.02888	5.4
86.63010	2.6
91.05461	20.0
93.07049	35.5
95.04962	4.0
95.08608	56.0
97.06525	10.4
97.10172	3.0
98.97641	2.5
104.05684	2.3
105.07031	37.1
107.08591	42.6
109.06539	6.4
109.10163	32.7
111.08058	14.6
111.11762	3.9
111.31099	2.4
117.07035	7.2
119.08585	41.3
121.06539	3.6
121.10156	28.5
123.08076	8.3
123.11707	11.6
124.50741	2.8
125.06017	2.8
125.09651	4.3
128.06250	3.9
129.06998	4.7
130.18451	2.4
131.08568	19.3
133.10103	28.3
135.08081	16.4
135.11714	21.1
137.05984	3.3
137.09613	3.5
137.13214	5.8
141.06976	2.7
143.08578	12.3
144.09346	3.9
145.10123	28.0
147.08047	5.6
147.11685	21.4
149.09613	6.9
149.13258	27.6
150.46672	2.5
155.08606	4.9
156.09364	4.5
157.10106	22.1
159.08107	6.6
159.11699	34.3
161.09608	19.0
161.13248	16.5
163.03923	4.4
163.11198	3.7
163.14844	9.8
167.07019	3.2
169.10164	7.8
170.10939	3.2
171.11743	19.2
173.02357	3.5
173.09610	9.6
173.13263	25.4
175.07567	2.8
175.11185	13.0
175.14842	11.1
177.09077	4.2
177.16426	9.4
181.10176	2.6
183.11650	13.3
185.09630	7.5
185.13280	9.6
187.11189	15.6
187.14842	8.1
189.09120	3.2
189.12784	11.2
189.16374	17.4
197.13313	5.7
199.11198	5.9
199.14833	10.3
201.12839	9.3
201.16402	18.4
203.14346	7.4
203.17938	7.3
205.15932	6.8
207.17380	2.8
209.13260	4.9
211.14861	7.9
213.12735	4.2
213.16432	6.9
215.07018	4.9
215.10677	4.8
215.14230	13.1
215.18044	7.5
217.15884	4.9
219.17554	3.7
223.14894	3.9
225.12865	3.7
225.16409	4.5
227.10440	3.1
227.14351	5.7
227.18040	3.7
229.12199	3.3
231.13814	2.9
235.14706	2.7
237.16615	2.5
241.12103	4.2
241.15953	3.8
247.13182	3.5
247.52789	2.5
255.17458	2.7
259.09616	14.0
259.13351	4.7
267.17401	6.6
269.18979	4.2
273.15039	4.1
281.18719	3.3
299.16354	3.5
301.18008	3.5
313.18097	3.0
315.19730	3.2
327.19748	4.4
379.30194	2.8
393.31549	4.5
403.30069	10.5
409.27292	5.9
421.30978	33.0
423.32675	5.3
431.29376	2.9
437.30579	8.2
439.31775	3.1
448.07150	3.1
449.30475	27.9
467.31650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.71756	2.1
55.05514	8.6
67.05508	17.2
67.82530	2.6
68.69937	2.7
69.03406	3.2
69.07074	12.7
69.87952	8.3
79.05497	13.4
81.07040	20.9
83.04969	4.7
83.08606	6.4
91.05477	16.6
93.07034	21.1
95.08596	22.4
95.52031	2.4
97.06542	5.3
98.20598	2.9
99.30663	2.3
105.07029	25.5
107.08584	34.6
109.06554	4.2
109.10152	22.9
111.08079	5.4
117.07039	7.9
119.08585	34.9
121.06472	3.5
121.10142	24.5
123.08083	2.9
123.11705	7.7
125.09684	2.9
129.06999	5.8
131.08562	17.6
133.06509	3.3
133.10132	25.4
135.08073	7.3
135.11673	12.7
137.09604	6.2
142.07758	4.6
143.08528	13.1
145.10110	27.9
147.11708	17.1
149.09621	9.6
149.13255	8.2
149.33905	2.5
151.07764	2.5
155.08508	6.0
155.10713	5.2
156.09341	3.8
157.10127	27.9
159.08066	3.9
159.11690	17.0
161.09601	7.0
161.13266	10.3
163.11182	8.4
163.14839	5.4
169.10181	8.3
171.11707	14.4
173.09641	4.4
173.13246	21.1
175.11188	3.5
175.14832	5.8
177.12782	4.0
177.16411	2.7
181.10109	3.2
181.12215	6.8
183.11687	11.0
185.13280	9.2
187.11078	3.4
187.14842	12.6
189.12788	5.1
189.16403	6.4
195.11726	4.5
197.13298	11.9
199.14845	6.9
201.16376	10.7
209.13333	4.0
211.14876	7.4
213.16428	5.0
215.14342	3.2
215.17986	8.1
215.45638	3.0
223.14792	7.1
225.12827	3.2
225.16432	6.4
227.17953	21.9
229.15971	2.9
229.19510	12.1
231.13852	2.8
233.15340	4.2
237.16373	5.4
239.17967	7.6
241.19539	8.1
251.17918	5.7
253.19566	8.5
255.21100	3.7
261.77417	2.4
267.21060	4.5
273.18509	3.7
277.19485	3.4
279.21057	2.5
295.20639	3.4
299.20081	5.5
307.20496	3.8
325.21597	6.2
351.23346	3.4
385.28790	6.8
403.29999	21.7
421.31033	88.2
431.30029	4.8
449.30673	16.0
467.31729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.11408	2.3
55.05511	14.9
57.03426	4.0
57.07064	9.5
67.05504	20.2
69.03422	4.6
69.07060	23.1
71.04973	4.6
71.15718	3.7
73.02926	4.9
76.24796	2.3
79.05494	19.8
81.03423	3.3
81.07053	55.2
82.07368	3.3
83.08604	8.0
85.02880	6.9
85.06535	4.6
91.05489	18.6
93.07047	43.0
95.08606	74.9
95.91885	2.8
96.08916	3.5
97.02877	3.7
97.06516	10.6
99.04482	4.4
99.08084	3.1
100.11238	3.6
105.07024	39.9
107.04984	3.2
107.08589	50.6
109.06498	11.0
109.10155	37.8
111.08070	7.9
115.03917	3.4
117.06990	11.6
119.07775	4.2
119.08573	58.3
121.06470	5.7
121.09405	3.9
121.10146	37.0
123.08038	5.4
123.11699	19.0
128.06187	6.1
129.06973	8.9
131.08583	27.2
133.04996	3.4
133.10129	46.9
135.08025	11.7
135.11688	28.8
137.09602	4.5
137.13248	26.2
138.13585	14.9
140.10667	3.4
141.07008	4.7
142.07736	8.3
143.08566	26.0
144.09386	4.0
145.10115	48.3
147.04430	5.0
147.08025	4.0
147.11694	30.6
149.09615	7.6
149.13284	21.5
151.07515	3.4
151.14618	3.6
155.08551	11.0
156.09355	6.6
156.13814	6.3
157.10146	27.7
158.10909	3.0
159.08083	5.1
159.11700	48.8
161.09607	13.0
161.13246	24.8
163.11127	3.1
163.14832	10.3
167.08534	5.5
168.09300	4.5
169.10086	15.4
170.10863	5.1
171.11705	31.7
173.13255	32.8
175.11157	6.4
175.14848	19.3
177.12796	4.2
177.16348	7.7
179.08479	4.7
179.14314	3.3
180.09381	2.9
181.10193	6.2
182.15417	3.7
183.11673	14.5
184.13463	3.5
185.09644	3.4
185.13260	20.1
187.11172	9.3
187.14798	19.0
189.09174	5.1
189.12753	8.8
189.16359	30.4
191.17950	9.0
195.11708	10.4
196.12520	3.6
197.13243	16.9
199.11208	9.2
199.14784	18.7
201.12738	10.4
201.16374	31.7
203.14363	6.5
203.17943	16.8
205.15852	6.0
207.10129	3.9
207.17505	5.6
209.13257	8.3
210.14966	4.7
211.14729	10.9
212.15575	8.4
213.12746	6.5
213.16374	21.1
215.07095	2.6
215.10635	3.2
215.14307	13.9
215.17918	10.7
217.12132	5.9
217.15843	5.8
221.13216	4.0
223.14796	8.7
223.53755	2.7
225.16338	12.2
227.14346	7.2
227.17970	3.4
229.19440	5.0
233.19016	4.5
235.14796	5.4
237.16367	5.3
239.14252	3.6
239.17929	6.7
241.15875	6.5
241.19479	4.1
245.15448	3.2
247.20740	3.1
249.16353	5.2
251.17853	3.7
255.17393	4.4
255.21104	18.2
259.09686	7.4
259.13101	7.0
259.16910	4.1
263.17950	7.3
265.15939	2.9
265.19464	5.0
267.17459	8.6
277.19287	3.4
281.18954	2.9
289.19391	3.5
295.16934	4.1
300.26459	4.5
313.17877	4.6
315.16153	3.5
361.28989	5.3
387.29855	3.4
393.31104	3.1
403.30139	26.1
405.31662	6.6
421.31067	26.4
423.32611	4.0
431.29404	7.5
437.88461	2.7
439.31750	3.4
449.30582	50.6
467.22324	22.4
467.31464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.10610	2.5
55.05513	13.7
57.03444	4.2
57.07071	4.9
58.22895	2.1
62.59100	2.2
67.05499	14.0
69.03442	2.9
69.07071	15.5
69.44655	19.2
79.05479	15.2
81.07057	39.4
83.05005	3.2
83.08621	8.6
91.05481	19.9
93.07052	31.0
95.04987	4.0
95.08605	44.0
97.06537	9.6
99.08083	4.3
104.52019	2.5
105.07035	39.3
107.08602	41.8
109.06490	4.5
109.10155	33.8
111.08086	5.4
113.09699	2.4
117.07046	8.7
119.08579	54.1
121.10143	32.9
123.08080	5.9
123.11715	13.8
128.06204	4.2
129.07059	4.5
131.08556	18.7
133.10138	39.9
135.08081	7.7
135.11697	27.6
137.09644	3.1
137.13258	7.8
139.11189	3.0
142.07822	6.2
143.08549	18.1
144.09413	4.8
145.10118	44.5
147.04437	6.1
147.08003	2.6
147.11690	25.1
149.09628	4.4
149.13258	16.7
151.11140	2.8
155.08543	7.7
156.09383	7.2
157.10127	21.6
158.10898	4.8
159.11708	46.6
161.09631	14.0
161.13268	20.4
163.07571	4.3
163.11269	3.3
163.14856	7.5
165.09125	2.9
165.12863	2.8
167.08592	3.2
169.10179	13.5
170.10953	3.2
171.08084	5.4
171.11685	20.9
172.92224	2.6
173.09627	2.8
173.13297	22.4
175.11258	9.7
175.14821	12.3
177.09285	3.0
177.16380	6.6
177.59959	2.2
179.07014	3.1
179.08540	2.2
179.10722	4.9
179.14368	5.0
180.09320	3.0
181.10147	5.1
182.10992	5.6
183.11635	18.4
185.09709	5.1
185.13268	17.7
186.10519	2.7
186.63156	2.4
187.11214	7.9
187.14850	18.0
189.12776	9.2
189.16388	28.6
191.17889	3.5
193.10126	3.2
194.10924	2.5
195.11740	8.3
197.13264	19.3
197.50528	2.2
199.11327	2.4
199.14780	19.0
201.12807	8.6
201.16362	34.0
203.14343	5.4
203.17963	12.5
206.10953	3.0
207.10164	4.5
209.13321	6.8
210.13983	4.0
211.11217	2.8
211.14760	12.0
212.15660	11.3
213.12833	7.6
213.16348	23.4
215.14432	11.7
215.17943	11.7
217.12289	2.6
217.16113	3.7
219.11861	3.2
221.13263	3.8
223.14861	6.0
225.16415	9.4
227.10695	3.2
227.14427	8.0
227.18001	7.1
229.12279	2.5
237.16481	3.5
239.14307	5.3
239.18005	5.2
241.15919	4.0
241.19479	3.1
243.14111	3.4
243.17384	4.9
243.21103	4.7
249.16400	4.5
251.18010	3.9
253.19504	3.3
255.17386	4.4
255.21118	18.5
257.15408	2.8
263.18088	4.0
267.17523	9.5
269.15457	3.1
269.19119	6.0
277.19611	2.6
313.18073	7.8
333.22131	2.9
361.28970	5.9
375.30530	3.5
387.30554	3.7
403.29846	25.3
405.31610	6.5
421.30994	29.4
431.29480	5.6
439.32211	3.7
449.30524	55.3
467.31656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.38052	1.4
55.05510	12.3
57.03428	2.4
57.07067	5.1
59.04999	1.9
61.28370	1.5
65.03945	1.8
67.05502	16.2
69.07068	19.2
69.41092	11.4
69.41502	2.8
71.04981	2.2
71.31229	1.5
77.03922	2.2
79.05486	17.1
81.07057	29.6
83.04975	2.8
83.08634	7.8
85.02880	2.0
91.05478	21.1
93.07044	32.3
95.04954	2.6
95.08604	52.2
97.06548	8.2
97.10151	3.1
99.08083	1.8
105.07027	36.3
107.08593	50.4
109.06498	4.4
109.10150	24.4
111.08067	5.6
117.07034	9.1
119.08582	53.0
121.06548	3.2
121.10142	33.3
123.08070	5.3
123.11714	14.4
125.09632	1.7
128.06215	2.6
129.06979	8.9
131.08589	20.9
133.10123	33.5
135.08037	7.5
135.11697	24.8
137.05946	2.0
137.09624	3.7
137.13254	6.6
141.06976	2.8
142.07753	5.3
143.08548	18.1
144.09286	4.5
145.10126	37.7
147.08049	3.9
147.10616	2.3
147.11687	25.2
149.05969	2.5
149.09633	3.1
149.13269	16.5
149.14369	2.2
151.07545	2.8
151.14835	3.0
152.37480	1.6
155.08525	8.0
156.09396	7.5
157.10117	24.2
158.10881	4.0
159.08089	3.0
159.11691	40.5
159.13008	2.1
160.08817	1.8
160.12373	1.7
161.09613	11.7
161.13257	17.5
163.07552	4.0
163.11214	3.3
163.14810	13.0
165.12741	1.9
167.08542	3.4
169.10109	15.7
170.10887	4.4
171.08061	2.6
171.11694	23.5
172.70027	1.6
173.09653	5.2
173.13255	18.0
174.14046	1.8
175.07553	3.3
175.11218	6.8
175.14806	12.9
177.09183	2.2
177.12778	3.0
177.16408	7.8
179.07077	3.1
179.10678	4.5
179.14259	3.6
181.10074	7.8
182.10928	4.4
183.11693	19.7
184.12480	3.5
185.09633	3.5
185.13264	18.3
186.14032	1.9
187.11253	11.5
187.14795	13.4
189.09166	2.7
189.12776	6.0
189.16370	24.9
191.10699	1.9
191.14339	1.6
191.17984	7.1
193.10175	2.8
194.10907	3.0
195.11656	9.8
196.12466	3.0
197.09563	2.0
197.13263	18.2
198.14017	2.3
199.11206	6.6
199.14815	17.8
199.17813	1.6
201.09169	2.6
201.12756	5.0
201.16380	25.2
203.10616	3.6
203.17934	12.5
205.12271	1.7
207.10063	3.1
207.11777	4.6
207.17482	2.7
208.12357	3.2
209.13223	7.1
210.14085	2.4
211.11049	1.9
211.14801	12.5
212.15562	12.4
213.12854	4.7
213.16383	20.5
215.10715	3.9
215.14273	11.3
215.17958	9.4
216.14813	1.5
217.12320	2.5
217.15840	3.4
217.19591	2.0
219.17432	1.8
221.13242	4.5
222.14015	1.6
223.14812	6.6
224.15619	1.8
225.12898	2.4
225.16457	11.1
227.10539	2.0
227.14299	4.9
227.17958	5.8
229.12334	2.8
229.15848	2.2
229.19548	5.2
231.13890	2.1
233.19162	2.4
235.14946	2.6
237.16443	5.5
239.14290	2.7
239.17996	6.9
241.12234	5.1
241.15852	4.6
241.19484	2.6
243.13858	2.5
243.17468	3.2
243.21144	2.8
245.11505	1.9
249.16434	4.6
251.17981	5.3
253.15987	4.9
253.19574	4.2
255.17418	3.1
255.21062	20.2
257.15347	1.7
259.13260	2.6
259.17093	1.8
263.18057	2.2
265.15863	2.6
265.19559	2.7
267.17432	6.1
269.15640	2.1
269.19064	3.9
271.16953	2.4
273.14832	1.7
277.19296	2.1
281.19022	4.4
281.22473	1.5
285.18646	2.1
287.16318	2.9
295.17026	2.2
295.20660	2.0
299.16461	3.8
301.17923	3.3
305.22589	2.1
311.16443	3.3
313.18021	4.6
315.15988	2.6
327.19489	3.6
331.19180	1.9
361.25055	2.1
361.28986	4.5
375.30591	4.8
379.30228	2.8
385.28476	2.1
387.30560	3.6
393.31583	2.5
403.29877	22.2
405.31836	5.0
421.31149	25.3
423.32712	4.3
431.29556	6.3
449.24283	2.3
449.30545	51.9
467.31622	100.0
468.31931	2.0
474.85062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.93982	1.3
55.05503	3.1
57.07071	1.7
67.05503	5.1
69.07082	5.7
70.11608	4.9
71.04972	1.1
71.38074	1.0
77.56670	1.0
79.05498	4.0
81.07059	11.5
83.04980	1.4
83.08617	2.8
85.06544	1.7
91.05463	7.7
91.68290	1.0
93.07055	10.9
95.08609	21.5
98.97620	1.4
105.07026	17.3
107.08599	21.5
109.06513	1.5
109.10175	7.6
111.08066	1.3
115.94762	1.2
117.06985	2.0
119.08582	34.8
120.08898	1.5
121.10149	8.8
123.08080	2.6
123.11735	4.6
124.56425	1.3
125.05993	1.5
128.98640	1.2
129.07033	2.2
131.08571	23.0
133.10135	29.6
135.08122	1.1
135.11690	33.5
137.09633	1.9
137.13322	1.8
142.07764	1.4
143.08543	6.8
144.09369	1.5
145.10121	13.4
147.11682	17.4
149.13301	4.6
151.11220	3.8
152.02812	1.3
155.08594	1.7
156.09366	4.1
157.10155	4.7
158.10909	3.5
159.08057	2.6
159.11743	4.2
161.09599	1.6
161.13304	5.7
163.14815	7.2
168.09331	1.2
169.10161	1.6
171.11693	14.5
173.11745	2.6
173.13251	45.2
175.07594	1.8
175.11224	2.1
175.14861	3.5
183.11737	2.8
185.13278	2.6
187.14830	7.6
189.16377	62.9
191.17903	1.5
197.13300	2.9
199.11215	9.8
199.14948	2.6
201.12692	6.5
203.14369	2.8
203.17993	2.3
207.17445	100.0
213.12852	1.4
215.14252	6.2
217.12291	8.6
217.15834	2.6
219.13905	1.8
231.13945	1.5
242.63324	1.2
245.11725	29.5
247.13252	2.8
261.14841	8.1
263.12930	1.1
263.16510	4.9
277.14349	1.7
327.19476	1.6
403.29944	2.0
405.31622	1.8
421.31229	2.1
423.32614	3.8
449.30591	9.4
467.31650	69.2
468.31882	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	467.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
57.07081	7.9
59.04977	1.3
67.05506	18.6
69.07053	3.7
71.08620	4.8
71.62392	1.4
79.05460	1.6
81.07053	9.9
83.08607	3.7
85.10172	2.4
87.79745	1.0
88.27248	1.0
91.05464	3.1
93.07024	4.6
95.08612	8.4
97.10152	2.2
104.71848	1.1
105.06975	1.9
106.92900	1.0
107.08582	3.0
109.06511	1.3
109.10152	15.6
111.11756	1.0
119.08571	3.5
121.10130	3.4
123.08037	1.3
123.11701	1.2
131.08519	1.2
133.10146	2.2
135.11696	2.5
137.09612	1.4
137.13263	1.3
145.10109	1.3
147.11676	2.2
149.13240	1.1
155.10655	1.5
165.09152	1.3
173.11700	4.2
173.13104	1.1
175.14743	2.4
187.03668	100.0
187.14716	1.0
191.17921	1.1
228.06331	3.4
230.36024	1.3
239.23782	1.5
303.26767	1.2
449.30048	1.6
467.31244	55.6
467.37088	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	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.31340	4.5
53.03936	8.3
55.05508	21.9
57.03421	3.7
57.07067	4.9
67.05508	34.4
69.03416	12.3
69.07070	30.6
69.44786	3.2
69.63395	12.7
69.63810	10.3
71.04990	5.9
73.02905	5.2
79.05486	30.0
79.48395	3.2
81.07051	70.1
83.04982	11.2
83.08609	10.3
83.29500	3.4
85.02885	14.1
85.06522	6.7
91.05473	36.3
93.07054	58.9
95.04941	12.3
95.08612	70.8
95.29608	3.5
97.02898	8.0
97.10158	3.7
98.20758	6.9
99.04448	4.8
99.08118	5.3
103.05476	8.4
105.07034	75.9
107.01263	3.6
107.08590	67.1
109.06497	14.8
109.10155	34.7
111.08084	19.0
117.03334	4.7
117.06987	15.0
119.08577	95.9
121.06538	4.4
121.10134	40.1
123.08060	10.2
123.11721	16.7
127.03893	4.0
127.11200	3.8
128.06212	6.7
129.06998	8.4
130.07782	6.5
131.04921	12.3
131.08586	48.6
133.10143	64.3
133.72066	3.6
135.04427	6.4
135.08025	12.2
135.11700	28.8
137.05945	6.6
137.09552	7.5
137.13301	6.6
139.07529	6.9
141.06993	5.0
142.07744	12.3
143.08569	34.6
144.09323	5.5
145.04904	4.3
145.10135	95.1
147.08051	6.9
147.11694	44.7
149.09608	6.8
149.13261	23.1
151.11160	6.4
153.05444	4.2
153.09071	3.9
155.08543	16.1
156.09328	10.0
157.10120	55.7
158.10878	4.8
159.07999	5.8
159.11696	69.6
161.09641	16.8
161.13281	27.8
163.03949	22.8
163.07507	7.4
163.11197	12.0
163.14835	4.6
165.09058	3.7
167.08600	3.7
169.10201	23.4
170.10828	11.9
171.11734	23.0
173.13274	41.6
175.11179	15.0
175.14815	25.5
177.09175	3.7
177.12749	12.5
177.16365	5.3
179.10590	3.4
181.10120	9.5
181.12285	3.5
182.10869	5.6
183.11691	22.9
185.09567	3.8
185.13257	43.1
186.13991	3.9
187.11198	5.2
187.14787	30.7
189.12755	9.9
189.16331	9.1
191.14268	8.9
193.12268	4.7
195.11668	11.4
197.13231	27.3
199.14819	48.0
201.12755	11.2
201.16393	29.4
203.10675	3.6
203.14310	36.2
203.17969	5.1
205.15857	6.1
209.13290	8.8
210.14026	4.0
211.14854	20.3
213.12732	4.5
213.16473	24.0
215.14320	7.1
215.17938	8.6
217.15881	11.3
219.13710	4.9
219.17392	6.6
223.14871	6.2
225.16354	13.3
227.17885	9.8
229.15872	5.6
229.19524	5.0
231.13779	5.5
237.16350	10.9
239.14279	4.9
239.17749	8.6
243.13641	4.9
245.15370	13.6
247.16974	4.2
249.16246	4.2
251.17953	10.7
253.19579	6.5
257.15305	11.3
265.15955	4.0
267.21198	6.0
269.19162	5.8
271.16812	6.2
273.18561	8.4
297.18481	6.9
299.16376	4.4
309.18585	4.4
311.20016	6.4
385.28958	4.2
387.30353	5.5
391.26056	10.4
400.46439	3.7
403.30060	21.1
405.31461	7.2
413.30325	3.6
419.29343	7.5
421.31082	24.7
423.32758	6.3
431.29715	13.7
437.30515	4.7
449.30554	45.5
467.31644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90206	0.9
52.49444	0.9
53.19036	0.8
55.01859	1.9
55.05501	1.1
57.03445	4.9
61.02917	3.2
67.05502	2.7
69.03433	10.5
70.61624	2.0
70.61974	1.7
71.05012	1.1
73.02917	13.3
79.05502	6.7
81.03419	2.0
81.07056	100.0
82.07390	1.3
85.02412	1.7
85.02901	23.1
87.04454	1.1
91.03963	1.5
93.07032	1.5
95.08603	9.6
97.02897	14.1
99.04446	2.4
103.03915	1.3
105.07004	1.2
107.08589	1.1
109.02874	2.4
109.10152	1.2
115.03937	5.9
117.95407	1.1
124.07618	1.9
127.03905	6.5
132.61993	0.9
133.04987	12.4
133.10089	1.3
137.13255	29.3
145.04951	10.4
146.06000	1.7
163.06046	6.6
217.07144	1.1
218.35242	0.8
223.06026	2.3
241.07060	2.4
259.05762	1.1
259.08173	6.6
269.20996	0.8
295.10248	4.3
323.10303	0.9
341.11365	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	467.3136
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
55.05492	2.3
57.07081	7.9
59.04977	1.3
67.05506	18.6
69.07053	3.7
71.08620	4.8
71.62392	1.4
79.05460	1.6
81.07053	9.9
83.08607	3.7
85.10172	2.4
87.79745	1.0
88.27248	1.0
91.05464	3.1
93.07024	4.6
95.08612	8.4
97.10152	2.2
104.71848	1.1
105.06975	1.9
106.92900	1.0
107.08582	3.0
109.06511	1.3
109.10152	15.6
111.11756	1.0
119.08571	3.5
121.10130	3.4
123.08037	1.3
123.11701	1.2
131.08519	1.2
133.10146	2.2
135.11696	2.5
137.09612	1.4
137.13263	1.3
145.10109	1.3
147.11676	2.2
149.13240	1.1
155.10655	1.5
165.09152	1.3
173.11700	4.2
173.13104	1.1
175.14743	2.4
187.03668	100.0
187.14716	1.0
191.17921	1.1
228.06331	3.4
230.36024	1.3
239.23782	1.5
303.26767	1.2
449.30048	1.6
467.31244	55.6
467.37088	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	465.3577
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
55.01856	7.1
55.05505	45.1
55.73266	3.5
57.06825	4.5
57.07079	63.7
62.50528	3.9
67.05503	35.0
69.06712	6.3
69.07071	100.0
71.08630	46.1
71.61230	3.9
71.61710	3.9
79.05486	10.9
81.07063	44.5
83.04991	6.3
83.08617	63.1
85.10170	26.7
89.06018	5.5
91.05492	9.8
93.07043	14.3
95.04945	6.7
95.08619	23.8
97.10175	50.9
99.04465	10.6
99.11729	6.1
105.07025	9.5
107.04929	5.2
107.08595	11.8
109.06496	6.8
109.10149	21.2
111.04437	7.8
111.08041	5.2
111.11727	33.0
113.06001	6.2
113.13297	5.1
113.20647	4.6
119.08593	9.6
121.10150	9.3
123.11691	9.6
125.02364	7.6
125.13268	13.7
127.03045	4.3
127.03890	19.9
131.08611	5.0
133.10103	5.5
135.04391	10.6
135.08084	4.7
135.11702	5.4
137.05978	24.3
139.03883	8.7
139.14798	5.6
141.05492	10.7
145.10130	10.0
147.11768	5.4
149.05939	8.0
151.03922	57.7
153.05455	15.5
159.07944	3.7
159.11757	5.7
159.28448	3.9
161.09546	7.2
163.03920	18.5
163.11166	4.7
165.09152	5.7
169.04968	86.8
173.09639	5.1
173.11836	4.4
175.11180	6.8
177.05510	9.0
177.09093	7.9
181.04909	19.4
187.11102	5.4
187.20677	4.5
191.07086	8.9
191.10696	10.8
193.08586	4.4
205.08560	7.1
205.12206	10.2
219.10077	5.4
250.24380	4.8
287.53146	4.1
341.77405	3.8
360.38602	4.2
383.32941	23.7
401.34082	9.0
411.32645	9.8
429.33493	27.1
447.34326	32.1
465.35739	74.4
488.69220	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49025	2.2
54.62983	2.2
55.01856	2.6
55.62661	2.2
56.96566	2.8
57.03440	20.5
57.52735	2.1
58.56416	2.0
59.05009	2.5
61.02928	3.2
67.18558	2.0
69.03429	67.8
70.72495	3.0
70.72827	3.6
72.26270	1.9
73.02923	2.7
75.99556	2.4
76.58259	2.1
79.61531	2.2
81.03398	3.1
85.02905	42.0
87.03986	3.2
87.04477	47.9
95.04982	10.6
97.02268	3.8
97.02887	54.5
98.97580	4.8
109.02914	2.8
112.24914	1.9
115.03927	64.9
115.04736	3.4
123.04427	29.9
124.05192	6.7
125.06030	2.6
127.03902	4.7
133.04964	60.1
137.05814	2.8
140.04633	5.4
145.04968	5.2
146.07260	2.2
150.07655	12.6
151.07538	16.5
153.05475	7.3
153.51395	2.0
155.07033	100.0
162.06703	3.2
163.06062	2.4
164.04726	18.9
167.07036	8.2
179.07030	60.8
182.05780	5.7
191.06996	10.2
197.08104	13.7
204.07765	2.5
221.08110	6.8
233.08113	14.8
251.09097	25.1
267.69614	2.1
281.10184	5.7
416.00024	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53085	2.0
56.96561	2.4
57.03431	17.0
59.04985	4.3
60.40984	2.1
61.02932	4.1
69.03070	4.4
69.03429	66.1
69.79011	2.1
71.36255	2.6
81.03408	6.6
85.02902	46.5
87.04469	45.0
91.05483	15.8
97.02888	57.7
98.97578	3.1
99.04458	2.3
105.07029	6.7
109.02895	3.2
115.03925	70.4
119.04946	7.7
121.02834	2.5
123.04408	5.0
127.03876	5.1
131.04956	2.5
133.04962	68.0
133.06482	3.9
137.05974	100.0
141.06918	2.7
145.04938	5.5
145.06531	2.3
147.04366	4.3
149.05980	5.9
150.07614	7.3
151.07533	19.8
155.07022	11.7
161.05991	9.7
165.05460	50.8
173.05930	3.5
175.07542	6.1
177.05588	3.5
179.07047	36.8
179.08540	4.0
185.05826	3.6
187.07510	5.0
191.06982	6.8
197.08127	7.9
203.07031	10.0
205.08640	8.2
215.07098	3.9
221.08136	14.4
223.07503	10.4
233.08101	31.7
245.08067	2.7
251.09157	24.6
259.08179	3.0
263.09155	5.8
268.09677	6.7
269.09830	3.2
286.10565	2.7
304.11694	5.2
322.12860	2.5
351.67252	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	465.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00723	0.7
50.76239	0.6
53.03934	2.1
53.06266	0.7
55.01869	6.4
55.05513	31.9
57.03419	1.8
57.06824	1.0
57.07077	12.4
67.05499	4.9
67.97835	0.6
69.06778	0.7
69.07078	6.3
69.40117	5.1
71.08276	1.0
71.08634	10.7
73.06574	0.9
79.05498	4.3
81.07070	4.4
82.67623	0.6
83.04982	79.0
83.08105	0.6
83.08612	3.3
85.06544	0.9
85.10193	6.7
86.86682	0.8
93.07060	1.1
94.33117	0.6
95.04962	1.4
95.08594	3.6
97.06525	0.9
97.10156	2.5
99.00816	15.7
99.04462	5.2
101.06020	9.4
105.07055	1.6
107.04951	5.4
107.08582	1.5
109.06483	1.2
109.10161	1.5
111.04450	1.7
111.11699	1.1
113.02328	0.7
117.01888	1.1
117.05500	1.7
119.08615	1.4
121.06499	0.9
121.10139	1.4
123.04440	0.9
123.08080	1.0
123.11710	1.1
125.05976	2.1
125.13236	0.7
127.03921	17.6
133.10159	0.9
135.04420	13.0
137.05959	3.0
141.05482	1.1
147.11694	1.0
151.07532	1.0
153.05469	15.7
155.07022	0.8
163.03935	4.3
167.10834	0.8
181.04962	42.1
187.05978	2.3
193.12286	1.0
199.06024	34.9
227.09090	0.9
240.90210	0.7
241.10776	1.7
255.12292	2.3
269.13889	2.3
283.15308	1.2
297.16913	1.5
311.18594	2.2
325.20139	2.9
339.21780	3.0
347.29483	3.2
353.23352	2.5
367.24664	1.8
381.26343	1.9
395.27936	1.7
409.29492	2.1
419.35294	1.5
447.35278	0.8
465.35779	100.0
466.35968	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	465.3576
Annotation	7-Oxatyphasterol
Peak:m/z	Relative Intensity
51.13839	1.0
51.85606	0.9
53.03943	2.3
55.01878	8.9
55.05513	32.8
57.03425	1.5
57.07075	12.6
67.05511	5.4
67.41164	0.9
69.07074	6.0
70.66000	3.1
71.08337	1.0
71.08631	11.7
77.09254	1.0
78.87730	0.9
79.05489	4.3
81.07047	5.2
82.65403	0.9
83.04984	82.3
83.08616	4.1
84.46858	1.2
85.06577	0.9
85.10201	6.0
87.40487	0.9
91.05499	1.7
93.07014	1.9
95.04967	1.4
95.08600	4.1
97.10170	3.4
99.00820	16.3
99.04456	4.7
101.06021	12.0
107.04958	7.2
107.08602	2.8
109.02924	1.0
109.06512	2.6
109.10133	1.8
111.04460	2.1
113.02374	1.1
117.01880	1.3
117.05499	1.7
119.08530	2.0
121.10103	1.3
123.08018	1.5
123.11708	1.1
125.06001	2.4
127.03907	21.8
129.15706	1.0
133.10091	1.2
135.04433	14.5
137.06036	2.6
145.04990	1.2
149.05981	1.2
151.07506	1.5
153.05475	17.5
163.03854	4.9
181.03354	2.3
181.04965	47.5
187.06006	2.2
199.06023	34.4
255.12192	1.5
269.13803	2.3
283.15482	1.4
297.17117	1.6
325.19971	2.9
339.21768	1.5
347.29483	3.0
353.23199	2.9
367.24884	1.8
381.26202	2.1
409.29514	2.6
419.35138	1.2
465.35770	100.0
466.36118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.8
55.05265	2.3
55.05514	44.1
57.07078	23.4
57.47571	1.9
58.27949	1.7
65.03947	2.1
67.05499	8.2
69.07068	18.0
70.72877	4.0
70.73227	2.5
71.08640	21.0
73.06575	2.3
79.05477	9.3
81.07053	19.6
83.04985	85.5
83.08620	8.5
85.10182	11.1
88.30196	2.0
91.05464	2.5
92.99655	2.1
93.03378	1.7
93.07036	6.5
95.08612	10.1
97.10194	9.6
99.00822	21.6
99.04415	6.1
101.06048	10.5
105.07046	2.5
107.04947	5.9
107.08596	4.8
109.06502	4.3
109.10146	5.8
111.04427	4.8
111.11710	4.9
118.82151	1.8
119.08582	3.4
121.10075	2.4
125.05981	5.0
127.03918	16.4
133.10170	2.4
135.04391	15.9
135.11688	2.9
137.05989	29.0
139.07553	4.4
144.85318	1.8
145.10162	2.3
147.11670	2.7
151.03902	7.8
153.05487	22.1
161.09567	2.5
161.13242	2.8
163.03908	5.1
169.04971	4.0
181.04974	30.4
187.05980	2.7
187.11093	1.8
193.12276	3.0
197.84262	1.9
199.06030	53.2
207.13837	3.2
240.37334	1.8
269.13800	2.5
311.18347	1.9
325.20380	2.5
346.28610	2.0
367.24478	3.0
377.42731	2.0
465.35773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05507	11.5
57.03432	2.4
57.07079	22.3
62.54652	1.2
67.05520	6.4
69.07073	17.3
69.39820	11.8
71.08627	21.0
79.05485	6.2
81.07051	9.3
83.04974	9.4
83.08620	11.9
85.06556	2.2
85.10188	11.3
87.34786	1.4
91.05482	1.8
93.03410	2.6
93.07053	4.5
95.04981	2.9
95.08614	7.3
97.06535	3.1
97.10165	5.7
99.04465	4.2
105.07051	2.4
107.04953	5.0
107.08586	4.5
109.06495	3.4
109.10187	4.2
111.04444	16.4
111.11697	3.1
117.19357	1.4
119.08580	2.7
120.18101	1.4
121.06525	1.8
121.10139	3.2
123.04394	1.5
123.08069	2.6
125.02349	11.9
125.05997	16.4
125.09634	1.5
127.03941	9.8
131.08496	1.8
133.10178	2.1
135.04410	5.1
135.08080	3.1
135.11736	2.6
137.05974	2.7
137.13225	1.3
139.03908	2.6
139.07520	2.1
141.05458	1.3
147.11670	2.9
149.09634	4.1
151.03841	2.6
151.07542	2.6
151.11185	1.8
153.05469	100.0
155.07155	1.6
161.13293	1.6
163.03891	2.1
163.07500	2.2
163.11227	2.4
165.09135	2.3
165.12701	1.6
167.07014	9.0
167.10780	2.5
169.05013	2.4
176.84810	1.3
177.09129	3.3
177.12744	2.1
179.10707	2.2
181.04979	13.4
181.08507	6.7
187.06032	3.3
191.10585	1.5
193.12245	2.8
195.06461	2.0
195.10202	8.6
199.06026	91.0
207.13907	1.6
209.11795	6.9
213.07620	5.1
221.15384	1.9
223.09772	2.3
223.13297	3.7
227.09207	3.1
237.11237	1.8
237.14949	4.1
241.10764	6.9
251.12761	1.9
251.16454	2.7
255.12257	6.5
265.17960	2.8
269.13828	5.3
279.16580	1.3
279.19611	4.6
283.15411	5.7
293.17529	1.5
293.20728	2.3
297.17078	4.4
307.19196	2.6
307.22397	2.4
311.18573	7.1
325.20181	7.0
339.21576	9.3
347.29559	6.8
353.23300	4.9
367.24716	7.0
381.26273	6.6
391.32147	4.2
395.27899	3.8
409.29434	4.2
419.35117	9.4
423.31329	1.7
429.33829	1.5
447.34384	3.0
465.35791	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	465.3575
Annotation	7-Oxatyphasterol
Peak:m/z	Relative Intensity
53.03939	1.0
55.01861	3.6
55.05509	12.6
57.03435	2.3
57.06817	1.4
57.07077	22.9
65.03933	2.7
67.05503	5.6
69.07070	15.6
71.00058	2.2
71.04974	1.4
71.08264	1.6
71.08628	19.8
79.05486	4.7
80.68558	0.9
81.07054	9.0
83.04980	9.0
83.08615	10.1
84.22820	1.0
85.06534	2.5
85.10178	11.2
85.69558	0.9
91.05476	1.9
93.07051	4.4
95.04963	1.9
95.08620	7.5
97.06525	4.2
97.10181	5.9
99.04447	5.2
99.11729	1.6
105.07029	1.8
107.04977	4.7
107.08570	4.7
109.02858	2.8
109.06519	3.1
109.10152	4.7
111.04430	14.5
111.08066	1.4
111.11706	3.9
119.08556	3.0
121.06530	2.8
121.10162	3.9
123.04462	2.3
123.08044	2.5
123.11715	2.6
125.02351	13.3
125.05978	13.5
125.09636	1.0
127.03902	8.6
127.14875	0.9
131.08621	2.4
133.10155	2.0
135.04414	5.4
135.08054	1.9
135.11688	2.6
137.06024	4.8
137.09628	2.3
137.13171	1.4
139.03894	4.5
139.07561	3.3
141.05472	1.6
145.10104	1.7
149.06010	1.9
149.09613	3.1
149.13243	1.6
151.03928	2.8
151.07542	2.9
151.11110	1.9
153.05461	100.0
155.06978	1.9
159.11691	1.8
163.03918	2.3
163.07553	2.1
163.11156	2.0
165.09152	3.0
165.12737	1.1
167.07048	9.8
167.10709	1.9
169.05005	2.0
169.08592	1.5
173.13205	1.3
177.09048	5.2
177.12709	1.0
179.10699	2.5
179.14291	1.2
181.04977	13.3
181.06517	1.2
181.08594	9.2
187.05933	4.7
189.12785	1.1
191.10709	2.2
191.14328	1.8
193.12248	2.0
195.06650	2.0
195.10162	8.5
199.06018	91.2
209.11720	5.5
209.15327	1.1
210.34714	1.0
213.07632	5.9
219.13727	1.1
221.15324	1.5
223.09549	1.6
223.13301	4.0
227.09093	2.3
237.14874	3.3
240.08685	1.6
241.10693	4.5
251.16473	3.0
255.12267	7.4
263.20096	1.5
265.17950	3.8
269.13840	8.1
279.16257	1.3
279.19666	3.1
283.15314	5.5
293.17664	1.3
293.21234	2.5
297.16983	6.1
307.19272	2.1
307.22797	2.5
311.18533	5.3
321.20941	1.9
321.24219	1.9
325.20068	10.1
329.28281	1.1
335.25797	1.8
339.21631	9.4
347.29578	8.0
347.33490	1.4
353.23102	7.0
367.24686	6.9
369.63739	1.1
373.30789	1.5
377.26895	1.4
377.34372	1.6
381.26443	4.9
391.27798	1.1
391.32339	5.8
391.36459	1.0
395.27768	5.6
409.29422	7.1
419.35129	7.8
429.33560	2.0
447.34787	3.7
465.35767	64.4
466.36026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01867	3.6
55.05509	11.3
56.96556	1.5
57.07078	16.5
59.17773	1.5
65.03938	3.9
67.05509	13.7
69.07070	16.0
69.88084	3.7
69.88499	4.4
71.04984	1.7
71.08643	13.7
79.05482	4.2
81.07051	13.2
83.01331	1.8
83.04996	2.8
83.08619	9.3
85.10177	6.6
89.05994	1.9
91.05479	2.2
92.45863	1.3
93.03411	2.7
93.07050	5.1
95.04973	2.8
95.08609	13.1
97.06542	2.5
97.10170	9.4
98.20824	2.6
99.00825	5.7
99.04440	6.8
105.07045	4.4
107.08580	3.7
109.06493	3.8
109.10160	11.0
111.04462	6.7
111.08093	2.4
111.11745	4.6
117.06998	1.8
119.08571	4.7
121.10146	3.9
123.08081	1.7
123.11710	4.4
125.06005	4.9
127.03936	4.2
133.10107	2.6
135.04436	1.6
137.05991	10.6
137.09595	2.2
137.13274	1.8
139.03908	70.1
141.05376	2.2
145.10178	3.3
147.11591	2.2
149.13322	2.0
151.03914	5.2
151.07574	2.0
151.09590	1.5
151.11067	2.0
153.05466	16.6
159.11685	3.9
163.03937	3.0
163.07584	1.7
163.11232	2.5
163.14758	1.8
165.09142	1.9
167.07039	3.2
169.04974	6.7
173.11787	1.6
173.13264	2.5
177.09175	2.7
179.06956	1.8
179.10599	2.5
181.04962	100.0
191.10690	2.8
205.12212	4.1
207.13861	1.6
219.36890	1.4
223.09605	2.8
233.11812	1.4
237.11244	2.8
251.12892	1.8
257.34457	1.3
279.16187	2.1
313.82410	1.4
385.29083	1.9
401.34213	5.7
411.32407	1.9
419.35223	5.2
429.33719	5.3
447.34747	8.3
465.32938	34.5
466.33417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3345
Annotation	Corticatic acid A
Peak:m/z	Relative Intensity
55.01878	1.4
55.05514	3.5
57.03424	1.4
57.07072	2.2
67.05508	3.5
69.07074	6.0
70.63193	0.9
70.63532	1.3
71.04977	0.6
73.02877	0.7
74.43419	0.6
79.05479	2.0
81.07082	3.7
83.08615	4.3
85.02894	0.8
91.05499	1.7
93.07059	3.2
95.08618	3.3
97.06530	1.1
97.10172	1.8
98.98471	6.0
105.07037	2.4
107.08569	3.0
109.10157	2.3
111.04444	0.6
111.08105	0.8
119.08588	2.2
121.06540	0.7
121.10150	3.8
123.11715	0.9
129.06949	0.7
131.08565	1.4
133.10127	1.7
135.11696	1.8
145.10123	1.4
147.11707	0.8
149.13246	0.9
152.82387	0.6
155.01060	3.8
159.11725	1.7
161.59784	0.7
163.66251	0.6
169.10170	1.0
183.13620	0.6
187.14952	0.6
199.15005	0.7
302.68011	0.6
303.05151	1.0
311.25797	9.6
353.56390	0.7
355.85275	0.8
376.39108	0.6
405.28320	0.7
431.60284	0.6
447.24783	1.1
465.33566	100.0
466.33829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38093	2.4
53.03947	10.2
55.01867	6.9
55.05514	40.7
56.96527	2.3
57.03444	21.5
57.07070	3.6
57.25828	2.1
67.05162	5.0
67.05508	88.7
69.03429	10.6
69.07070	28.6
71.01358	4.6
71.04997	13.4
71.61918	3.5
79.05497	90.1
79.05958	4.8
81.03419	63.0
81.07064	77.9
83.04992	23.8
83.08616	28.4
85.02905	32.1
85.06550	8.1
91.05485	74.6
93.07051	100.0
95.04971	43.6
95.08601	35.1
97.02912	2.5
97.06524	20.8
97.09633	2.9
97.10165	15.7
98.97566	3.1
99.04468	4.0
99.08086	4.1
105.07036	37.0
107.04974	9.9
107.08596	55.9
107.09277	3.8
109.06538	11.3
109.10139	18.0
111.04482	3.1
111.08071	19.9
113.06025	7.2
115.05422	4.8
117.07018	11.4
119.08591	39.2
121.06523	9.3
121.10151	30.4
123.08108	8.0
123.11710	7.3
125.09653	9.2
129.07028	11.2
130.07805	2.5
131.08556	19.1
133.06520	5.6
133.10135	22.4
135.08058	5.1
135.11700	62.6
137.05977	3.8
137.09660	8.5
137.13278	2.9
142.07811	4.8
143.08560	6.1
145.10144	20.1
147.08089	4.6
147.11713	20.6
149.09576	5.3
149.13292	3.2
151.07553	5.8
151.11244	2.6
153.05513	3.8
153.09218	3.0
153.12793	2.8
155.08611	4.0
157.10126	19.3
159.11720	5.5
161.09621	3.3
161.13286	3.2
163.11224	9.1
163.14803	2.9
165.09189	3.0
165.12785	5.1
167.07095	6.4
169.10146	2.4
171.11736	5.5
173.09763	4.4
173.13319	3.6
175.09979	2.5
175.11179	15.8
175.14841	3.4
181.12321	8.7
185.13399	2.9
187.11218	3.7
189.16415	2.8
193.12245	66.3
199.14870	4.2
201.16441	2.5
211.13306	76.9
211.15170	5.9
213.69908	2.4
229.50807	2.5
255.15967	8.3
267.15845	4.7
297.15005	2.6
303.05151	8.2
329.21213	4.6
373.24048	3.5
407.25446	2.5
419.29135	3.1
429.29956	6.6
447.27591	8.4
465.28729	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3344
Annotation	Corticatic acid A
Peak:m/z	Relative Intensity
53.03934	0.7
55.05510	1.8
56.96564	0.8
57.03434	0.8
57.07072	0.8
58.89565	0.5
67.05513	2.4
67.45377	0.7
69.07069	2.2
70.65860	1.3
70.66222	1.5
74.11259	0.6
79.05487	1.6
81.07054	4.3
83.08635	1.6
85.59637	0.5
91.05487	1.7
93.07046	2.7
95.08619	3.5
98.98500	0.8
101.92889	0.5
103.00853	0.7
105.07056	2.0
107.08620	2.3
109.10161	1.8
119.08598	2.5
121.10192	2.2
123.11742	1.4
131.08594	1.3
133.06522	0.8
133.10136	1.9
135.11708	1.8
137.09651	1.0
143.08521	0.8
145.10132	1.2
147.11723	1.0
155.01065	1.5
157.10057	1.0
161.13191	0.8
173.13129	0.9
177.16472	0.6
185.13219	0.8
187.14954	0.7
206.49538	0.6
208.29816	0.7
217.87634	0.6
311.25912	2.7
363.28845	1.6
465.33591	100.0
466.34085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2333
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03933	0.7
55.01863	1.9
55.05502	1.8
57.03431	2.9
59.05002	1.3
61.02934	1.4
69.03434	8.4
69.07054	1.8
71.01329	0.8
71.04638	1.0
71.04994	14.2
71.45446	1.2
73.02920	6.1
73.06573	4.0
79.05486	3.9
81.03407	1.6
81.07060	19.0
85.02414	1.3
85.02910	16.5
87.04501	1.0
89.26131	0.6
91.05468	1.8
93.07055	12.7
95.08624	3.4
97.02894	11.0
97.06524	1.3
98.97583	0.8
103.03906	1.0
103.30194	0.7
105.07034	1.0
107.04977	0.9
107.08603	10.8
109.02872	1.8
109.10152	2.2
115.03937	3.2
121.10149	0.6
127.03920	5.3
133.04959	4.1
133.10152	0.7
134.50085	0.6
135.11702	21.1
145.04939	5.2
145.92087	0.7
153.12752	100.0
154.13062	1.3
163.06035	2.2
181.05098	0.7
191.14282	0.9
206.54996	0.7
241.07063	1.5
249.02966	0.7
252.09410	1.3
257.43060	0.6
271.10129	1.3
271.60687	0.8
303.04959	2.2
317.06168	0.7
319.07257	1.1
465.15436	0.6
476.21991	0.7
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	Unknow
Peak:m/z	Relative Intensity
55.01880	8.3
55.05503	5.9
57.03439	18.7
57.07072	12.9
59.04996	8.5
61.02925	15.2
67.05508	10.4
69.03424	23.0
69.07059	8.2
69.78091	9.2
71.01340	4.5
71.04980	3.9
73.02917	100.0
77.80095	1.9
79.05477	2.1
81.03407	5.8
81.07023	6.5
83.04972	1.9
83.08605	4.4
85.02904	44.7
85.06569	8.3
87.04457	4.1
91.05480	4.1
93.07031	6.9
95.05003	7.1
95.08608	50.6
97.02895	28.5
97.06525	8.0
98.97571	3.1
99.04444	3.6
99.08096	15.8
103.03937	3.8
103.05435	2.4
105.07046	3.4
107.04958	2.3
107.08569	10.5
109.02866	4.3
109.06523	21.5
109.10162	17.2
111.04446	1.6
111.08070	7.1
111.11733	2.3
113.09642	56.1
115.03930	24.0
117.06981	1.9
119.08559	3.8
120.08091	1.7
121.06522	3.2
121.10134	2.9
123.11676	1.7
125.47160	1.3
127.03944	11.5
127.11179	18.9
131.08553	2.6
133.04959	23.1
133.10164	1.8
135.08115	2.4
135.11713	14.5
137.09598	2.8
137.13222	3.4
145.04942	10.6
151.07494	2.4
151.56201	1.6
152.33246	1.6
153.01862	2.2
153.12746	88.4
155.14314	12.8
161.05977	18.7
161.09575	5.1
163.06090	2.2
163.07497	2.3
167.07022	5.0
169.12234	3.2
171.13800	50.8
177.05455	2.5
177.12743	6.1
179.05577	3.7
181.08569	2.5
187.18118	1.7
189.09087	11.5
195.13844	6.6
207.10190	15.8
213.14862	20.7
234.10704	1.6
241.07042	2.2
249.14842	4.9
267.15802	3.5
279.15900	3.5
303.04996	12.9
303.08426	2.3
333.19235	2.5
361.16559	3.3
408.79950	1.5
465.16895	2.9
465.22510	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	465.1392
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
57.03423	0.9
67.01857	2.8
67.05483	0.7
68.99793	1.6
69.03434	1.6
69.07068	0.7
69.57787	3.5
69.58201	1.5
81.07052	1.7
85.02907	3.2
89.03894	2.2
91.05465	0.9
93.03384	1.2
95.04965	1.1
95.08611	1.3
97.02878	1.8
99.97446	0.7
105.07034	1.0
107.08563	1.0
109.06508	0.6
109.10172	0.8
117.03381	9.1
119.08600	0.9
121.02797	0.8
121.10172	0.7
123.04413	1.4
125.05995	1.6
131.08578	1.0
135.04411	1.3
137.06015	2.9
145.02849	24.9
145.10095	0.8
149.05959	3.5
151.03938	1.0
151.07523	2.9
153.01836	81.0
163.03906	1.7
165.01843	0.8
171.02898	8.6
177.05475	40.5
179.03403	7.1
191.03519	1.0
195.02896	2.6
219.02904	0.8
247.77791	0.6
273.02948	0.7
303.08630	100.0
304.09253	0.8
438.08878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03938	1.1
55.01862	1.7
55.05495	0.9
57.03424	2.3
57.03677	0.5
61.02932	3.5
67.05496	0.9
68.99792	0.6
69.03429	5.9
69.07059	1.2
70.85151	1.4
71.04995	2.7
73.02923	3.9
75.64748	0.5
79.05493	1.1
81.03410	3.4
81.07061	2.7
82.10947	0.4
83.04987	0.7
85.02907	15.2
85.03417	0.8
86.09700	0.7
91.03938	1.2
91.05479	1.3
92.70093	0.5
93.03374	0.5
93.07021	2.9
94.07302	0.5
95.04958	0.9
95.08595	2.1
95.89052	0.5
97.02903	7.3
97.06525	0.9
99.04466	1.1
105.07029	1.2
107.08604	2.7
109.02862	1.7
109.10188	0.9
111.00832	1.1
115.03948	1.4
119.08571	1.7
121.02879	0.8
121.10132	0.8
125.13289	0.6
127.03928	3.3
128.81441	0.5
133.04959	2.4
135.11728	3.0
137.02333	3.4
137.05997	0.6
137.09605	0.7
137.13150	0.6
145.04955	3.4
145.10149	0.6
147.08018	1.0
147.11673	0.8
149.02328	0.6
153.01833	5.5
153.12743	8.3
159.11714	0.5
161.09601	0.5
163.03922	1.1
163.06053	0.8
165.01799	2.5
165.12781	1.7
173.05942	0.7
173.09644	0.9
177.12756	0.8
183.02811	1.2
201.05458	2.3
207.13828	0.8
229.04880	4.2
247.06088	0.6
257.04541	2.2
274.04770	1.0
285.03888	1.4
297.17133	0.8
303.04996	100.0
304.05316	3.4
315.18048	1.4
418.01279	0.5
465.17297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83728	3.5
53.03942	3.7
55.05503	12.6
56.96549	8.4
57.03436	6.8
58.95576	3.7
61.02950	5.2
67.05528	6.2
69.03417	33.6
69.07058	16.7
71.04971	15.5
73.02908	9.5
73.83978	3.8
79.05485	15.7
79.34238	4.1
81.03430	14.4
81.07056	28.7
83.04974	8.8
83.08601	6.1
85.02908	38.7
87.04442	19.5
91.05462	9.2
92.48668	4.7
93.07043	38.2
95.04954	9.2
95.08598	10.4
97.02889	34.2
98.97591	18.0
105.07041	16.5
107.08597	28.9
109.02867	5.1
109.06493	11.9
109.10167	16.2
110.97564	4.0
115.03923	26.2
116.98603	5.4
117.07028	8.3
117.57626	4.0
119.08595	12.9
121.10130	16.3
123.08083	5.9
125.09597	4.3
127.03941	5.4
128.98610	7.8
133.04961	25.9
135.04416	4.4
135.08073	5.5
135.11696	30.6
137.09544	5.1
144.09338	4.8
145.02818	5.7
145.04970	5.0
147.08090	5.2
147.11664	7.4
151.11169	6.3
153.01842	6.7
153.12735	100.0
158.99591	4.9
163.03912	15.4
165.12738	21.3
170.99712	6.6
171.11636	4.8
191.14340	10.5
193.12218	5.2
209.15338	40.8
210.15689	8.4
211.13303	4.3
229.04834	6.0
239.09587	7.8
255.26953	4.8
259.42154	4.2
271.10257	5.2
271.60370	5.0
285.17056	13.1
303.04987	78.8
325.13547	5.4
399.18396	23.2
404.34396	5.4
427.16583	6.1
434.39581	4.9
445.17389	17.7
465.16785	15.8
465.20541	30.6
465.70712	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01851	0.6
57.03418	1.0
61.02917	1.7
62.40355	0.6
66.24249	0.6
68.99799	1.2
69.03432	3.7
70.06274	2.2
73.02927	0.8
81.03406	2.7
85.02909	11.2
86.11475	0.6
91.03973	0.7
91.94431	0.7
92.95332	0.6
97.02863	3.7
109.02876	1.0
111.00820	0.9
121.02885	1.1
122.12338	0.7
123.14646	0.6
127.03929	2.0
137.02361	4.9
145.04956	1.7
149.32919	0.6
150.42122	0.6
153.01808	5.1
165.01846	2.6
179.03427	0.7
183.02867	0.7
201.05486	1.9
210.69971	0.6
229.04956	5.0
247.06041	1.0
257.04462	3.4
264.60004	0.6
274.04797	0.9
285.03870	1.3
303.05002	100.0
304.05389	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	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
53.56537	1.4
53.96231	1.5
55.01867	8.3
55.05506	4.0
56.42084	1.5
57.03443	11.9
58.98669	1.3
61.02932	17.9
62.10476	1.9
67.05514	4.3
68.99827	1.8
69.03432	31.6
69.07057	4.3
70.06581	3.1
71.01343	4.3
71.04691	1.7
71.04997	19.0
71.60970	3.1
73.02917	52.5
79.05499	10.0
81.03428	7.7
81.07053	27.4
82.10309	1.7
83.04966	1.8
83.08606	4.9
85.02906	100.0
85.06544	30.2
86.09731	1.8
87.04459	5.7
91.03947	7.6
91.05469	11.4
93.07043	48.2
95.04971	4.1
95.08601	9.5
95.91916	1.5
97.02890	47.8
98.97590	3.5
99.04429	3.2
103.03945	3.2
105.07014	9.1
107.08595	33.5
109.02846	8.3
109.06556	2.8
109.10130	3.1
111.04426	2.2
111.08116	2.2
114.30453	1.5
115.03927	26.7
119.08569	2.8
120.07054	1.5
121.10170	3.0
123.08054	1.7
123.11768	1.9
127.03914	29.5
131.08572	1.9
133.04965	26.9
133.10075	1.6
135.11707	29.6
137.02354	2.7
137.13242	7.2
145.04955	49.9
145.50294	1.9
153.01837	3.9
153.05531	1.8
153.12729	2.5
161.05988	1.9
163.03894	2.3
163.06029	19.0
165.01839	1.7
175.06056	2.0
177.05470	4.7
179.05495	4.6
179.06923	1.6
181.04829	1.8
217.07098	1.7
223.05974	4.5
227.97043	1.7
229.04900	3.4
233.10156	2.0
235.08299	2.3
241.07092	4.1
251.27286	1.6
257.04523	2.1
259.08121	9.1
267.66345	1.5
295.10059	3.5
303.04984	81.1
464.17252	13.4
464.24246	9.0
465.13602	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	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	0.9
57.03417	1.0
58.48255	0.2
59.41172	0.2
61.02927	1.5
65.03928	0.4
67.05498	0.3
68.99783	0.6
69.03430	3.4
70.85470	0.3
70.85783	0.3
71.04974	0.9
73.02915	1.2
78.14452	0.2
79.05492	0.3
79.66032	0.2
81.03417	2.2
81.07024	0.5
82.33426	0.2
83.01315	0.3
85.02906	10.5
87.04451	0.4
91.03942	0.5
91.05495	0.5
93.03407	0.3
93.07025	0.6
95.04960	0.5
95.08594	0.6
97.02895	4.0
99.04432	0.8
105.07030	0.2
107.08570	0.4
109.02866	1.5
109.10120	0.3
111.00808	0.9
115.03929	0.5
116.98623	0.2
119.15424	0.2
121.02866	1.2
123.04452	0.3
127.03902	2.1
133.04955	0.5
135.11687	0.6
137.02348	3.9
145.04948	2.0
147.07892	0.2
147.11688	0.3
149.02347	0.6
153.01826	4.7
153.12752	1.6
155.04875	0.3
160.20592	0.2
161.05933	0.4
163.03915	0.6
165.01843	2.9
165.12781	0.3
166.02637	0.5
166.45273	0.2
171.69292	0.2
173.06012	0.5
183.02905	0.9
183.04408	0.5
187.03870	0.4
191.03305	0.2
201.05455	2.6
201.12585	0.2
229.04959	5.3
247.05977	0.7
257.04440	2.5
274.04733	0.9
285.03952	1.4
303.04993	100.0
304.05273	1.4
315.04871	0.5
315.17957	0.5
345.06042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22325	0.8
53.03949	1.8
55.01879	2.0
57.03420	3.4
58.85067	0.8
61.02930	8.3
67.05501	1.4
68.02949	0.8
69.03437	15.8
70.99412	1.5
70.99731	1.2
71.04971	2.6
73.02907	3.5
81.03436	5.8
81.07062	0.9
83.01344	1.0
85.02909	100.0
86.09691	1.1
87.04459	2.3
89.06013	1.4
91.03961	5.6
91.05458	1.0
95.08634	1.7
97.02901	23.2
98.97562	1.4
99.04450	3.6
102.57598	0.7
103.03949	1.0
105.07013	7.0
109.02899	7.9
115.03941	1.6
119.08558	1.6
123.08073	1.0
127.03925	25.8
129.45561	0.8
145.04968	53.1
149.09587	1.4
151.07552	1.7
159.08125	0.8
163.06030	19.4
177.05455	1.1
189.12645	1.2
205.08876	0.9
207.13736	2.1
231.10176	0.9
276.10406	0.9
278.01132	0.8
285.13306	4.5
303.04947	10.0
325.11383	1.0
355.63647	0.9
384.08160	0.8
394.90558	1.0
407.27277	1.0
450.99646	0.8
464.15717	3.6
464.22192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67182	5.0
55.05512	51.4
55.36428	6.5
57.07074	87.1
59.52637	5.4
65.03946	6.2
67.05506	28.4
69.06725	5.6
69.07069	76.9
70.22900	5.2
71.08631	58.1
71.27913	10.8
71.58814	5.4
79.05476	15.6
80.94929	5.6
81.07043	69.6
83.04964	6.9
83.08627	54.7
85.10179	32.7
91.05492	12.5
93.07022	30.0
95.04960	7.3
95.08601	64.6
97.06526	9.8
97.10141	35.4
99.04438	8.7
105.03364	14.8
105.07018	25.6
107.04919	7.8
107.08572	15.0
109.06499	30.2
109.10146	34.0
111.04473	7.4
111.11703	16.3
119.08588	18.3
121.06489	9.9
121.10136	15.8
123.08071	22.8
123.11700	20.4
125.05998	23.1
125.13328	6.7
127.03915	24.7
127.07558	35.2
131.08542	8.5
133.06401	7.5
133.10133	15.5
135.04391	7.5
135.08115	10.5
135.11697	6.7
137.05975	48.2
137.13216	9.7
139.07538	100.0
145.10156	6.6
147.07925	7.5
149.06023	12.3
151.03935	11.9
151.07561	24.1
153.05429	9.7
157.10120	9.1
159.11763	8.6
161.02361	23.5
161.09534	7.2
163.03856	10.2
165.09111	9.2
167.07050	6.8
169.05028	9.5
175.07486	10.9
175.11220	13.5
175.14793	6.8
177.05418	14.2
177.09096	21.5
179.07011	24.8
181.04967	10.1
185.04448	7.0
189.09126	9.9
195.06496	10.6
197.04457	17.6
202.18225	5.4
203.10745	15.3
203.14316	6.5
217.08554	11.0
220.43597	6.2
221.15408	6.7
231.10201	11.7
275.27243	7.1
319.29883	16.7
326.37500	6.7
340.78067	6.3
347.32968	14.2
399.32431	15.4
404.36728	7.3
417.37170	18.1
427.31958	14.2
445.36884	70.7
463.38080	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03933	3.6
55.01874	2.0
55.05511	22.6
57.06816	2.9
57.07078	47.5
64.18616	1.8
67.05502	13.9
68.61858	1.7
69.07069	39.2
71.08631	36.7
71.08958	1.2
79.05499	11.2
81.07058	38.5
83.04977	2.6
83.08614	27.8
85.10188	16.7
91.05479	5.5
93.07044	11.0
95.04974	4.6
95.08605	30.4
95.09158	3.2
97.02908	2.1
97.06544	4.3
97.10167	16.6
99.04470	7.6
105.07034	11.8
107.04973	2.9
107.08608	10.7
109.06511	17.3
109.10162	16.2
111.04449	2.0
111.11709	8.5
119.08585	7.4
121.06525	4.1
121.10168	6.7
123.08067	12.7
123.11710	8.4
125.02397	2.1
125.05997	20.0
125.09667	2.3
125.13259	2.5
125.86552	1.6
127.03937	7.0
127.07554	37.1
131.08601	3.2
133.02881	2.9
133.10138	3.3
135.04431	4.2
135.08058	4.6
135.11699	4.6
137.05986	17.8
137.09654	5.6
137.13274	5.0
139.07539	100.0
143.08649	2.2
145.10109	3.1
147.08096	1.9
147.11658	4.0
149.05991	7.8
149.09659	5.9
149.13293	2.9
151.03860	2.1
151.07561	11.3
151.11140	2.4
153.05487	3.1
157.10178	3.3
159.11739	2.8
161.02354	4.6
161.09586	2.4
161.13274	2.5
163.03882	2.6
163.07561	3.7
165.09119	3.7
167.07079	7.0
169.04984	1.9
169.08632	4.6
171.11705	1.8
173.09644	3.4
175.07553	2.2
175.11192	3.2
175.14867	2.9
177.05481	4.2
177.09074	15.8
179.07050	7.9
179.10707	3.9
179.14227	1.6
181.04987	2.6
187.11163	2.5
189.09172	2.7
189.12674	1.9
191.10625	2.5
193.12263	3.1
197.04330	3.9
203.10655	5.0
203.14343	2.3
205.12221	2.0
207.13895	3.5
217.08557	4.0
229.16104	2.1
231.10139	4.6
231.20818	1.9
235.16988	1.7
245.11867	1.7
277.26044	2.0
301.28839	4.2
309.12164	1.7
319.29874	10.8
341.12128	1.9
347.33084	13.1
373.30783	6.0
399.32129	4.0
403.35678	4.0
414.18106	1.7
417.37280	19.7
427.35751	3.4
445.36847	62.6
446.36844	2.2
463.38040	50.8
464.37930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03946	6.7
55.01868	5.5
55.05517	39.8
57.07086	36.3
67.05513	35.7
69.03408	4.6
69.07070	70.6
71.08622	18.1
79.05479	10.0
81.07062	34.0
81.87507	4.0
83.04978	9.6
83.08626	42.8
85.10165	11.6
91.05470	19.3
93.07044	56.0
95.04971	8.7
95.08612	58.8
97.06503	7.2
97.10165	21.7
98.20695	8.8
105.07036	8.3
107.08594	19.5
109.06522	8.8
109.10154	21.9
111.04441	12.2
111.08085	35.5
111.11724	17.4
119.08574	15.6
121.06489	9.2
121.10139	13.2
123.04441	6.5
123.08060	13.6
123.11664	6.3
125.05955	9.5
125.09634	4.9
125.13267	7.8
127.07533	12.3
131.08618	9.3
133.06464	5.7
133.10120	8.8
135.04431	4.8
135.08081	8.4
135.11719	4.9
137.05959	20.8
137.09605	5.3
137.13248	5.9
138.82983	4.2
139.07558	49.9
147.11745	7.8
149.05969	5.6
151.07565	13.6
151.11342	4.9
153.05473	16.0
153.09132	24.4
159.11729	5.2
161.09660	7.1
163.14879	5.3
165.05466	6.2
165.09148	7.2
167.07114	7.5
167.10683	6.3
169.08618	13.1
177.09128	62.0
179.06987	9.1
181.08580	5.6
181.12218	11.7
189.12837	6.0
193.08511	12.3
195.13792	8.7
197.04501	6.0
199.05978	9.3
205.12053	5.2
207.13837	10.0
221.15289	6.8
232.89439	5.0
305.21213	4.5
315.75735	4.5
324.33957	4.1
385.34323	5.2
399.35873	8.4
403.35696	54.0
417.37283	8.6
421.36743	26.7
427.35828	11.0
443.28812	5.3
445.37103	42.6
463.31934	19.0
463.38052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05513	33.9
57.07087	18.3
66.13132	1.6
67.05503	16.4
69.07069	60.4
71.08634	9.9
79.05493	8.1
81.07060	43.1
83.08629	37.5
84.76818	1.6
85.06520	3.4
85.10189	5.1
91.05458	5.1
93.07058	8.4
95.08609	37.6
97.10178	26.4
99.23562	1.8
103.81081	1.6
104.02372	1.6
105.07035	3.1
107.08586	10.1
109.10150	24.2
111.08084	3.4
111.11727	15.2
119.08612	5.4
121.06483	3.1
121.10159	3.6
123.11700	11.9
125.06024	2.0
125.13284	3.0
133.10156	2.6
135.08060	8.4
135.11748	2.4
137.09631	6.3
137.13252	4.7
139.07550	17.8
145.10123	2.1
149.09647	8.9
149.13246	2.8
151.07552	12.1
151.14888	2.4
153.09125	11.2
155.83170	2.0
163.07597	3.6
163.11191	5.3
165.09122	100.0
165.16354	1.8
167.07089	3.3
169.08560	9.2
175.11116	2.5
177.09154	10.1
181.08600	28.0
187.11328	1.9
189.09167	3.9
191.10684	10.1
199.11076	2.6
203.10658	4.7
205.12224	11.4
229.28072	2.0
263.80820	2.5
285.22491	2.0
354.36694	2.0
369.41785	2.3
377.48828	1.8
377.63419	1.7
427.35452	9.1
445.36859	24.4
463.32083	20.0
463.37799	69.5
464.38168	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	463.378
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.25373	2.8
54.98738	2.7
55.05515	8.6
57.07068	5.9
67.05497	9.1
67.92902	2.6
69.07066	13.6
71.08591	2.8
71.61552	3.4
74.18362	2.8
79.05495	3.3
79.83815	2.5
81.07059	16.4
83.04970	3.1
83.08604	9.9
85.10171	3.6
93.07024	7.6
95.08606	14.3
97.10162	5.3
105.07048	5.0
106.32984	3.0
106.88395	2.9
107.08593	6.0
109.06497	3.2
109.10151	8.0
119.08570	7.7
121.10109	3.7
133.10141	5.4
135.11768	6.0
137.05922	3.2
145.10170	4.8
147.11708	4.4
159.11699	3.3
160.36028	3.4
161.13081	2.7
165.09090	6.6
181.04860	3.2
182.79677	2.8
187.14873	3.6
197.70300	2.6
303.36429	2.9
419.35089	13.3
463.32199	100.0
463.37683	15.9
464.33331	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03950	2.9
55.05285	2.3
55.05513	22.9
57.07088	11.1
67.05507	11.7
69.07072	28.6
71.08616	5.4
71.61897	3.0
76.65739	2.0
78.83894	2.1
79.05482	5.3
81.07070	16.8
83.04981	46.3
83.08636	13.9
88.96378	1.9
91.05487	7.3
93.07055	14.8
95.04982	2.6
95.08597	17.2
97.06532	3.6
97.10161	9.5
99.08083	2.4
105.07021	7.6
107.08591	8.4
109.06503	5.3
109.10153	9.1
110.10487	2.1
111.08076	4.4
111.11741	2.2
119.08569	5.8
121.06499	29.9
121.10148	5.6
123.08077	5.4
123.11714	3.1
125.05984	4.4
127.07529	11.9
133.10150	3.0
135.08035	13.3
135.11636	2.4
137.05966	5.3
137.09592	5.8
139.07542	74.4
145.10112	2.3
147.11697	3.3
149.09622	5.7
151.07584	3.4
153.09131	6.9
159.11684	4.7
161.13240	2.5
163.07565	12.4
165.09166	5.7
167.10661	3.5
169.08731	3.2
171.13811	10.6
173.13255	2.4
177.12685	3.5
181.08545	15.8
223.13333	2.6
236.67773	2.2
293.21033	2.7
307.22772	2.5
403.35477	2.8
427.35303	2.9
445.36859	80.1
463.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01873	5.8
55.05511	10.9
57.07079	17.4
63.17056	0.9
67.05510	2.5
69.06712	1.3
69.07072	20.3
70.73400	2.3
71.08630	12.4
79.05498	7.1
81.03416	2.1
81.07053	4.9
83.08630	9.9
85.10182	6.9
91.05483	1.8
93.07009	2.0
95.04961	1.7
95.08600	4.3
97.02896	5.5
97.10173	9.5
99.04449	1.3
105.03394	4.1
105.07029	3.1
107.04959	9.9
107.08592	1.7
109.02889	9.9
109.06513	2.0
109.10161	1.7
111.11726	3.7
115.03936	0.9
119.08585	2.5
121.02877	1.4
121.06503	1.8
121.10133	1.3
123.04452	4.4
125.02360	19.5
125.13249	1.1
133.02818	5.7
133.10097	1.2
135.04422	15.6
135.81757	1.1
137.05966	2.8
141.05476	1.1
145.10207	1.5
147.08086	1.4
149.02405	1.4
149.06018	1.5
149.09593	1.4
151.03914	16.0
153.05447	5.8
161.02354	12.8
161.06030	1.4
165.05444	2.2
167.03444	2.4
169.04971	1.5
175.07538	1.4
177.09059	1.6
179.03392	27.0
179.07033	2.7
181.04967	1.5
185.04457	6.9
189.09076	2.1
191.10718	1.3
193.04971	1.5
193.08650	1.4
197.04454	100.0
211.06047	7.3
221.08174	1.5
225.07571	4.7
235.09669	1.2
239.09195	4.5
253.10805	5.7
267.12314	4.9
281.13803	3.3
295.15424	3.8
303.75076	1.0
305.17288	1.2
309.17007	4.8
323.18591	5.7
334.89651	1.1
337.20264	4.7
351.21667	3.3
365.23337	1.7
379.24844	2.7
393.26407	2.5
407.27911	2.6
417.33530	1.6
463.34161	22.7
476.78427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.6
55.01870	4.4
55.05514	10.4
57.07078	17.3
65.03945	0.8
67.05503	4.1
69.03456	0.8
69.07069	16.8
70.63243	0.4
71.08632	10.9
71.34225	0.7
71.34566	0.7
71.53101	0.4
77.03938	0.7
79.05499	6.5
81.03445	1.6
81.07056	6.7
83.05015	1.6
83.08620	11.7
85.10187	7.2
85.10648	0.6
86.02498	0.5
89.06054	0.8
91.05485	2.4
93.07039	2.2
95.04985	2.6
95.08619	4.8
97.02894	5.2
97.06564	0.5
97.10165	8.0
99.04457	0.9
99.11764	1.2
105.03391	4.4
105.07063	1.9
107.04960	10.0
107.07967	0.4
107.08590	2.9
109.02883	7.2
109.06519	2.1
109.10169	2.5
111.04468	1.7
111.11726	5.1
113.13328	0.6
115.03957	1.8
117.07020	0.8
119.04982	0.8
119.08590	2.4
121.02886	1.8
121.06522	1.8
121.10180	1.3
123.04448	3.7
123.08061	1.1
123.11743	1.3
125.02356	15.6
125.06001	2.0
125.13316	1.5
127.14780	0.6
129.07031	0.8
131.08589	1.4
133.02853	5.2
133.06520	0.9
133.10136	1.4
135.04419	13.5
135.08107	1.5
135.11711	1.0
137.05984	4.8
137.09590	0.6
137.81387	0.4
139.03937	1.5
139.07567	1.0
141.05457	0.6
141.09085	0.7
143.08566	0.8
145.10141	1.4
147.08061	1.9
147.11745	1.2
149.02383	0.5
149.05992	1.0
149.09607	1.3
151.03905	17.3
151.07500	2.5
153.05476	7.0
157.10149	0.9
159.11734	1.0
161.02344	10.9
161.05934	1.0
161.09627	1.6
161.13255	0.6
163.07541	1.4
163.11214	0.7
165.05489	2.9
165.09154	0.7
167.03395	2.4
167.07147	0.6
169.04985	1.6
171.11642	0.5
173.09641	0.7
175.07562	1.6
175.11180	0.9
177.05354	0.5
177.09145	1.1
179.03400	18.1
179.06976	4.0
181.04962	1.7
182.23329	0.4
185.04468	6.7
187.11249	0.6
188.29422	0.5
189.09161	1.6
191.10657	0.9
193.04926	1.2
193.08620	1.3
197.04456	100.0
198.04813	0.6
199.06197	0.5
203.10747	1.3
205.12157	0.7
207.06505	1.0
207.10164	1.3
211.06018	6.7
217.12268	1.0
219.13846	0.8
221.08075	1.2
221.11638	1.0
225.07584	3.8
231.10260	0.9
235.09711	0.6
235.13176	0.7
238.07104	0.9
239.09164	4.8
249.11235	1.0
253.10690	5.8
263.12759	0.5
263.16342	0.7
267.12299	6.0
273.15048	0.5
277.14407	0.6
281.13773	3.5
295.15344	3.1
305.28448	0.6
309.16971	4.1
319.18771	0.6
323.18515	4.7
337.20139	4.3
351.21671	3.5
365.23419	2.7
379.24744	2.8
393.26132	2.0
403.36093	2.2
407.28009	2.0
417.33331	2.4
445.36362	2.7
463.33829	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	463.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.3
57.07067	11.8
62.02568	4.5
67.05505	45.6
69.03414	6.9
69.07070	43.2
70.06647	22.9
71.04981	10.7
71.08625	8.5
79.05492	16.7
81.07060	81.7
83.04995	9.1
83.08623	20.8
85.02904	17.2
85.06536	19.7
85.56170	4.4
91.05482	9.1
93.07056	27.4
95.04971	6.5
95.08608	100.0
97.02917	6.5
97.10197	15.7
99.08069	5.9
105.07018	6.7
107.04951	8.3
107.08598	32.7
109.06534	8.4
109.10153	67.7
111.11703	7.0
113.09691	7.4
117.10979	4.4
119.08602	14.0
121.06515	6.5
121.10139	18.5
123.05545	11.0
123.07974	5.5
123.11720	28.4
127.03880	4.7
133.10118	11.5
135.11674	24.8
137.06006	4.9
137.13239	21.8
147.11710	5.6
149.13251	13.7
151.07524	10.3
151.14830	11.4
163.14827	10.1
165.08955	4.7
165.16344	7.8
177.16389	8.3
180.60106	5.1
187.28154	4.6
191.17992	8.4
247.24051	23.8
265.25278	38.1
283.26343	36.6
301.06964	7.5
301.27280	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	463.3398
Annotation	Dolichosterone
Peak:m/z	Relative Intensity
55.05500	2.2
57.07055	1.3
67.05511	2.6
69.07063	2.3
69.30743	3.7
69.31152	1.4
71.08632	0.7
79.05485	1.8
81.07060	4.4
83.04958	1.2
83.08601	1.7
91.05483	1.1
93.07033	2.6
95.08613	2.5
97.10133	1.2
98.20766	1.1
105.07011	1.4
107.08603	1.3
109.10150	1.6
121.10129	1.4
123.08041	0.5
123.11707	1.0
125.05991	0.7
133.10172	0.8
135.11696	1.2
137.06001	1.0
139.07460	0.8
149.13280	1.3
161.13298	0.7
175.74016	0.5
181.04991	1.2
307.18832	2.2
310.46274	0.6
321.24036	1.5
445.37372	0.6
463.33908	100.0
464.34372	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3417
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
51.08985	3.6
52.28825	4.4
53.36804	3.7
55.01865	15.4
55.05509	46.6
55.76617	4.2
57.07068	18.9
63.51354	3.8
64.46849	4.2
67.05508	36.2
69.06718	4.5
69.07073	59.2
71.08624	12.2
71.62169	5.6
77.75074	4.1
79.05480	20.6
81.07063	67.2
83.04611	4.4
83.04987	46.2
83.08614	33.9
85.10165	7.9
91.05479	6.9
93.07041	25.4
95.04951	3.9
95.08607	61.9
97.06521	6.2
97.10168	25.4
99.00839	6.5
101.06015	4.0
105.07023	12.9
107.08597	15.8
109.06504	12.4
109.10152	32.1
111.04468	5.5
111.11729	10.6
113.06015	8.1
119.08607	19.2
121.06444	7.3
121.10131	9.6
123.08063	11.8
123.11722	16.2
125.06071	9.1
125.13296	10.0
127.03915	13.2
131.08653	5.7
133.10172	6.7
135.04393	9.9
135.11690	6.2
137.05992	86.7
137.13310	9.3
139.07536	4.0
145.10176	4.3
147.11732	5.3
149.13141	4.9
151.03894	16.2
151.07527	11.3
153.05487	9.4
157.10199	4.4
159.11702	9.5
161.13254	5.6
163.03922	6.3
169.04955	11.3
169.08603	18.5
173.09543	5.6
173.13391	5.9
175.11200	8.4
181.04982	27.6
181.08585	4.1
181.25507	3.6
185.13396	4.4
193.12292	5.7
199.06026	23.5
205.12209	7.4
209.36627	4.2
233.15274	4.8
373.78448	4.9
401.34039	7.1
420.52441	5.4
427.32425	4.4
445.33096	11.4
463.34061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96746	3.2
55.01867	5.0
55.05511	23.5
57.03437	9.8
57.07067	11.8
61.02920	5.7
67.05504	35.2
69.03424	15.0
69.07072	56.8
70.61633	13.2
71.04980	9.7
71.08609	4.5
73.02924	24.6
74.96702	4.3
75.04504	4.7
79.05497	18.8
81.03410	8.2
81.07063	93.3
83.04946	5.5
83.08624	21.1
85.02912	45.1
85.06551	34.6
91.05488	15.8
93.07031	31.6
95.08614	100.0
97.02894	12.9
97.06533	5.0
97.10165	15.4
98.97538	4.8
99.04473	5.2
99.08099	12.2
105.07036	34.1
106.07356	9.0
107.04959	10.7
107.08609	29.9
109.02859	5.2
109.06522	6.0
109.10168	62.5
111.08060	4.9
111.11723	13.6
113.09650	10.5
114.37888	3.5
115.03952	8.0
119.08566	12.3
121.06438	5.4
121.10165	29.0
123.08123	5.5
123.11710	35.1
125.09647	6.3
125.13265	4.9
127.03940	11.8
127.11288	4.4
127.39877	3.7
129.07034	5.2
131.08577	8.7
133.04953	7.4
133.10136	85.8
134.10468	56.4
135.08072	3.9
135.11697	26.6
135.70064	3.8
137.06000	7.7
137.13223	23.7
139.07515	4.2
139.11122	6.0
145.04965	4.6
145.10135	5.0
147.11731	8.2
149.09581	4.0
149.13264	18.5
151.07605	8.5
151.14793	12.1
155.14331	4.6
157.12805	3.2
161.09622	4.4
163.03813	5.1
163.14839	11.5
165.16437	11.2
167.07127	6.0
175.14708	3.4
176.11523	4.6
177.05487	3.9
177.09114	4.5
177.16356	13.5
179.10669	4.5
183.17332	4.2
185.13283	4.1
187.11153	4.4
188.11478	4.3
191.17966	7.1
195.10149	4.9
212.23045	4.0
247.24226	50.3
265.25296	19.9
283.26355	39.5
289.05402	4.4
300.09317	4.7
301.09882	7.1
301.24225	4.6
301.27411	14.1
317.06525	39.1
327.11093	3.6
463.18607	10.3
463.30151	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	463.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.4
61.89341	0.4
69.03418	1.4
69.68034	2.1
69.68447	0.8
76.06570	0.3
79.77773	0.4
85.02899	1.5
97.02898	1.3
97.16136	0.3
101.00879	1.8
102.03725	0.4
109.02892	0.5
119.01920	1.4
120.95418	0.9
122.01305	0.5
127.02385	0.6
127.03901	0.9
129.01247	0.3
131.01907	0.7
138.96414	2.5
143.01904	2.1
143.92876	0.4
145.03487	0.6
149.99657	0.6
155.01892	1.1
155.99615	0.5
156.97490	10.9
157.03531	0.5
161.02948	1.3
162.96596	0.4
167.01965	0.7
168.97485	0.7
173.03003	2.1
174.97452	0.4
174.98572	4.3
177.98001	0.4
180.97473	21.1
182.99028	0.7
185.02962	3.5
192.97478	0.6
194.99023	1.1
197.02954	0.9
198.98546	100.0
199.98633	2.9
203.04001	0.9
210.98502	4.4
213.00073	1.7
213.76366	0.4
215.04083	0.5
216.97594	1.0
216.99593	15.5
222.00117	1.2
222.98505	1.6
225.00163	0.9
227.04076	0.9
228.99586	8.4
229.01727	0.6
234.98541	4.6
240.99597	24.8
241.99706	0.6
245.05072	5.1
247.00766	1.3
250.80261	0.4
252.99588	2.4
259.00662	8.3
259.03214	0.7
263.06192	0.6
264.99503	0.5
271.00638	1.5
275.06015	0.8
277.01718	1.1
283.00650	10.7
292.01031	1.0
294.93100	0.9
301.01715	28.3
302.01627	1.0
305.07184	0.8
318.93234	0.5
319.02710	4.3
343.02753	1.7
373.03683	0.8
442.94864	0.4
463.06781	5.4
463.12329	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01866	12.3
55.05510	39.1
57.03440	17.0
57.07057	1.9
59.05006	4.3
65.03938	3.4
67.05504	81.0
69.03403	2.3
69.07062	28.1
69.47829	10.8
69.48246	3.8
71.01344	7.5
71.04991	12.1
79.05492	83.5
81.03418	27.9
81.07059	54.0
83.01333	9.3
83.04983	27.4
83.08614	16.0
85.02892	7.4
85.06534	4.4
91.05479	49.4
92.31796	1.8
93.07044	100.0
95.04980	20.1
95.08604	23.7
97.02899	4.2
97.06540	17.2
97.10175	15.7
99.04470	3.8
99.08079	3.2
105.07026	23.5
107.04958	16.2
107.08596	58.4
109.06512	9.4
109.10167	10.2
111.04463	3.3
111.08072	2.3
111.11710	3.3
115.05441	3.3
117.07010	22.7
119.08578	23.3
119.96753	2.1
121.06508	8.6
121.10139	18.3
123.08064	8.6
123.11724	3.2
125.05984	4.8
125.09674	3.9
129.06995	5.4
130.07806	4.5
131.08556	5.7
133.10121	9.0
135.08070	4.7
135.11688	87.5
137.09557	4.6
139.07578	2.5
143.08551	4.4
145.10120	31.4
147.08052	3.7
147.11707	3.3
149.09648	2.3
151.11206	2.4
151.35312	2.2
153.12738	8.5
155.08417	2.5
159.11633	2.4
163.11188	58.3
173.09608	7.8
181.12238	23.3
191.10652	6.5
199.82109	2.2
209.11662	12.9
227.12721	11.0
268.36581	2.0
287.05359	3.2
463.26880	83.8
464.27548	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	462.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.3
55.89841	2.0
57.07063	5.6
61.37501	2.1
67.05504	17.6
69.07065	17.9
70.85388	3.9
71.05000	14.9
71.08640	2.3
78.02387	2.2
79.05476	8.8
81.07063	49.8
83.04968	2.4
83.08612	14.8
85.06539	16.6
91.05483	11.9
93.07047	28.1
95.08606	80.7
97.06501	3.8
97.10160	11.9
99.04427	2.8
105.07037	20.5
107.08591	46.7
109.09451	3.2
109.10161	49.9
111.08080	6.4
111.11727	4.1
113.09628	12.7
115.07579	3.0
119.08585	32.2
121.10143	31.2
123.08094	3.7
123.11713	23.1
125.09608	4.1
131.07538	1.9
131.08514	4.9
132.04774	3.6
133.10135	41.6
135.08040	3.0
135.11696	25.1
137.09605	3.9
137.13254	9.9
139.11243	3.5
145.10060	11.3
145.77200	2.2
147.11691	32.7
149.09598	4.3
149.13280	29.4
151.11194	4.5
151.14821	3.5
153.05440	2.4
157.10078	3.1
159.11708	13.9
161.13283	21.9
163.11157	2.0
163.14810	15.2
165.16359	2.6
167.10645	3.7
169.12206	3.3
169.92128	2.0
173.13269	6.8
175.14819	17.8
177.12709	3.2
177.16350	10.4
181.12297	5.0
185.13310	2.4
187.14864	13.0
189.16391	21.6
191.17932	7.0
193.15866	4.8
195.13826	5.0
201.16393	8.2
203.17957	17.2
207.17427	13.5
215.17949	5.2
217.19525	5.2
219.17487	7.3
219.20917	2.4
221.18979	6.4
223.16924	4.5
225.33887	2.1
231.21117	2.6
233.19019	3.4
237.18533	5.7
251.20218	3.7
257.22696	3.1
263.19907	2.5
271.24133	3.4
276.51477	2.2
339.26834	2.5
368.04559	2.5
391.33496	3.7
409.34683	44.1
410.35583	2.5
423.20847	2.3
427.35736	83.6
428.35623	2.8
445.36823	100.0
446.36890	3.0
452.48532	2.5
455.42389	2.3
462.26251	6.5
462.39859	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	462.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.05503	2.7
57.07067	1.8
59.67918	0.6
60.97844	0.7
67.05511	3.6
69.07063	5.3
70.07401	0.8
70.84821	1.1
71.08629	1.0
72.29854	0.7
79.05481	1.1
81.07060	4.3
83.04968	1.3
83.08614	2.4
85.06548	0.7
88.45216	0.7
88.50155	0.6
91.05473	1.0
93.07041	1.5
95.08607	3.4
96.08907	1.1
97.10186	1.1
97.85855	0.7
103.46417	0.7
105.07027	1.3
107.08549	1.2
109.10147	3.2
111.04413	0.8
111.11699	0.8
117.07056	0.7
119.08591	2.1
121.06503	3.8
121.10133	1.2
122.07290	0.6
123.11726	1.0
124.12079	0.9
125.06005	0.7
128.06299	0.6
129.06998	1.2
131.08582	1.7
133.06480	1.1
135.08057	2.3
136.08846	4.5
137.09604	3.3
142.07854	1.1
143.08557	2.2
145.10184	0.8
147.08058	1.5
147.11775	0.7
149.09599	2.1
151.07562	6.5
152.07948	2.3
157.10095	4.8
159.08081	2.3
159.11731	1.2
161.05974	8.5
161.09679	1.0
163.07506	1.4
164.08342	13.9
165.09114	32.7
166.09497	1.9
171.08107	1.7
171.11696	1.1
174.06821	2.0
175.07535	9.2
175.11119	0.7
176.08342	14.3
177.09108	10.6
178.09473	1.4
179.06985	1.3
180.07385	0.9
185.09669	1.7
187.07391	0.8
187.11183	0.9
188.08342	10.5
189.09111	19.8
190.09886	3.8
191.10583	3.6
192.10977	1.1
199.11166	1.6
201.09113	1.5
202.09808	3.4
202.19386	0.6
203.10667	44.0
204.11400	13.3
205.12245	9.0
206.12573	1.3
215.10750	1.2
217.12260	21.7
218.13000	0.9
231.13837	1.9
232.14392	0.9
245.15350	1.0
259.76566	0.6
336.69592	0.6
426.34848	6.7
444.35989	100.0
445.36288	2.8
451.98917	0.7
462.36972	3.8
463.31815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	12.6
57.26355	6.2
59.28929	6.3
59.36121	6.1
69.03431	46.3
81.03441	40.0
84.83939	6.6
85.02907	22.3
86.09705	14.0
89.06036	8.4
97.02904	13.0
98.97592	7.4
99.04464	22.3
111.04479	7.9
116.98609	7.3
117.03352	11.4
129.05501	54.3
133.04895	7.9
133.06467	12.3
133.08559	8.9
135.04402	12.2
145.02856	19.3
145.06534	7.1
151.03882	6.3
159.08057	7.5
163.03922	96.7
164.04247	13.4
167.07028	50.0
169.06436	10.3
173.05930	9.2
177.05435	7.9
187.07593	10.3
205.08617	13.7
214.05794	7.3
219.01724	14.5
219.10208	9.7
229.42671	6.7
235.09624	26.6
237.03091	6.8
247.09711	13.2
248.53458	6.2
265.10706	31.5
265.14328	15.4
278.10062	7.9
283.17435	16.8
285.16620	6.6
301.12811	6.6
330.12347	10.0
439.40067	7.8
462.16498	100.0
463.17441	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	461.3627
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
50.56332	0.8
52.95245	0.8
54.11330	0.7
55.01873	1.9
55.05510	4.9
57.07079	1.6
57.29393	0.7
67.05506	6.5
69.03404	0.9
69.07069	4.7
70.84375	2.7
79.05492	5.7
81.03419	1.4
81.07066	13.5
83.04984	6.3
83.08604	2.9
85.06532	1.6
91.05482	6.5
93.07050	12.8
94.89870	0.8
95.04993	2.0
95.08612	18.1
97.06544	2.2
97.10243	0.8
101.06024	1.1
105.07037	12.1
107.08597	17.5
109.06496	1.9
109.10152	11.6
111.04427	1.1
111.08071	1.9
111.23641	0.7
112.56116	0.8
117.07008	2.7
119.08575	18.1
119.09811	1.0
121.10146	12.9
123.08085	1.7
123.11700	5.9
125.09600	1.7
127.07584	2.0
129.07045	1.7
131.08575	5.7
133.10138	21.9
135.11697	13.9
137.09631	1.4
137.13271	1.5
139.11179	2.0
143.08553	2.8
145.10127	9.0
147.08128	1.0
147.11699	21.4
149.13266	5.0
151.11205	2.3
155.08504	1.0
156.09401	1.0
157.10138	4.2
159.11697	8.4
161.09657	0.9
161.13226	6.8
163.14877	4.0
165.09106	0.8
169.10132	1.5
171.11697	3.5
173.13260	4.7
175.14845	3.7
177.16357	1.4
179.14333	1.0
185.13290	4.0
187.14848	5.0
189.16367	11.5
191.17978	3.2
197.13263	1.2
199.14778	3.8
201.16360	3.7
203.14320	1.8
203.17970	8.4
205.15910	2.2
207.17441	10.1
213.16335	1.9
215.18076	4.2
217.15820	3.9
217.19542	0.9
221.18979	1.6
227.17958	1.6
241.19360	1.1
245.82022	1.0
319.24374	1.3
360.57266	0.9
361.18857	0.9
389.32031	1.6
407.33124	8.8
425.34421	5.3
432.85599	0.9
443.35245	100.0
444.35364	2.5
461.29529	7.4
461.36209	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03953	5.5
55.01870	4.1
55.05258	3.7
55.05513	51.3
57.07078	30.0
61.30210	3.5
67.05511	42.0
69.03428	5.6
69.07072	90.3
70.79629	9.8
71.08625	14.5
73.73766	3.0
79.05495	21.7
81.07056	96.3
83.04984	10.9
83.08617	50.6
85.06534	6.9
85.10179	5.7
91.05482	15.1
93.07047	32.2
95.04957	7.0
95.08042	6.9
95.08611	87.4
97.06502	3.3
97.10176	25.9
105.07012	22.5
107.04975	3.4
107.08604	31.7
109.06519	20.1
109.10170	44.7
111.08071	9.8
111.11714	15.4
119.08578	20.8
121.06488	9.4
121.10186	26.8
123.08090	17.6
123.11688	32.1
125.06010	18.4
125.09637	6.1
125.13299	6.0
131.08531	8.8
133.06447	11.7
133.10136	14.2
135.08057	18.2
135.11678	15.3
137.05974	65.5
137.09627	11.5
137.13229	13.8
139.07538	46.0
143.08572	5.6
145.10124	10.5
147.11690	14.5
149.05988	6.1
149.09616	16.3
149.13268	14.9
151.07536	33.4
151.11136	3.4
153.09073	8.9
155.07037	6.0
156.09303	3.6
157.10136	5.5
159.11676	15.6
161.06010	17.2
161.09654	5.0
161.13248	11.3
163.07523	14.5
163.11264	6.6
163.14839	3.6
165.05513	5.5
165.09125	100.0
167.07047	21.7
169.10103	7.0
171.11630	8.3
173.09680	4.7
173.13321	4.8
174.10323	5.8
175.07536	5.1
175.11142	10.4
175.14897	3.9
177.09100	25.9
177.16417	5.6
179.07042	73.6
179.10693	6.2
181.08607	4.1
183.11699	6.1
185.13248	6.7
187.11224	7.9
189.09108	9.5
189.12752	11.5
189.16371	6.4
191.10625	12.5
193.08772	6.1
202.09927	4.8
203.10664	29.6
203.14232	4.0
205.12259	11.6
217.12260	7.9
219.13849	6.1
223.13293	4.3
229.12338	5.8
231.13835	13.5
243.13982	3.7
245.15366	6.4
287.27307	3.8
293.20578	5.3
305.28363	5.2
361.26965	3.8
369.62271	3.3
391.58401	4.0
397.34674	4.9
401.34238	7.6
415.35638	11.2
425.34109	16.5
433.36560	3.8
443.35260	92.2
461.31110	20.0
461.37222	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	461.3626
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
55.05508	5.3
55.92688	0.8
57.07078	1.8
67.05505	8.2
69.03395	0.8
69.07068	8.0
71.12598	1.5
79.05494	3.7
79.57769	0.8
81.03412	1.0
81.07059	16.8
83.08614	3.3
85.06538	3.6
91.03967	0.9
91.05491	2.8
93.07047	6.2
95.08611	15.4
96.08949	0.8
97.06586	0.8
97.10162	3.1
99.08042	1.1
105.07044	3.1
107.04932	1.0
107.08576	4.0
109.10173	10.8
119.08556	5.3
121.10154	3.3
122.07303	1.8
123.08001	1.0
123.11729	3.6
129.06946	1.1
131.08551	1.9
133.10146	2.6
135.08023	1.5
135.11688	1.6
137.09631	8.2
137.13263	2.2
139.07530	1.5
139.11142	0.9
145.10146	1.7
147.11769	1.7
149.09615	5.1
149.13260	2.3
151.07539	1.8
159.11674	1.4
161.13234	1.2
163.07562	1.1
163.11191	3.4
165.09119	100.0
166.09334	0.9
173.13268	1.5
175.07582	1.0
175.11218	2.0
177.09132	3.7
179.10652	1.2
187.11211	1.0
189.09129	2.0
189.12660	1.1
190.09932	1.3
191.10692	3.7
201.41913	0.9
203.10666	5.0
203.14294	1.4
205.12271	8.6
217.12341	1.1
219.13904	1.5
231.13805	2.9
231.17567	0.8
388.55429	0.8
425.34259	1.7
443.35297	6.5
461.32129	2.7
461.37677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
52.65243	1.8
53.54368	1.6
53.72795	1.9
55.05505	7.5
57.03426	3.0
57.07065	1.9
67.05183	2.3
67.05503	16.6
68.57374	1.7
69.03412	1.8
69.07057	11.6
70.23829	4.0
70.24218	3.2
71.04988	2.2
79.05520	9.3
81.03428	4.0
81.07056	30.7
83.04970	5.7
83.08601	7.0
85.06541	2.2
91.05484	11.9
93.07049	28.1
95.04958	2.8
95.08604	35.2
97.06532	4.0
97.10142	2.3
99.08100	3.0
102.03819	1.6
105.07033	20.8
107.08595	33.5
109.06491	5.4
109.10169	20.8
111.08097	5.7
114.14936	1.7
117.06995	2.0
119.08582	29.2
119.49500	1.6
121.06522	2.4
121.10142	23.6
123.08088	2.8
123.11700	11.2
127.07549	8.6
129.07028	2.7
131.08562	7.4
133.10141	28.0
135.08052	2.0
135.11699	23.2
137.09621	3.4
137.13301	2.9
139.07520	2.2
143.08553	5.2
145.10136	15.2
147.11697	20.4
149.13280	12.9
151.11177	2.7
151.14893	2.0
153.09106	4.4
157.10110	3.9
159.11699	11.6
161.09647	2.1
161.13268	13.1
163.11095	2.4
163.14816	9.7
165.12706	2.2
169.10040	1.9
171.11729	5.7
173.13243	6.7
175.11282	2.2
175.14825	10.5
177.12596	2.5
177.16428	3.2
179.14342	4.6
185.13298	4.3
187.14812	8.1
189.16382	16.7
191.14278	4.8
191.18004	10.5
195.13757	2.4
199.14845	3.4
201.16331	6.7
203.14249	3.1
203.17984	8.9
204.03595	1.7
207.17468	13.3
213.16287	3.4
215.17940	7.2
217.15779	4.3
217.19441	3.5
221.15388	5.1
221.19023	4.2
227.17960	2.7
229.19601	3.6
235.16998	3.2
241.19595	1.8
319.62927	1.9
407.33163	3.3
419.34827	2.0
425.34259	22.1
443.35297	100.0
444.35791	2.6
461.28699	7.0
461.37280	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	461.3627
Annotation	Topsentisterol C2
Peak:m/z	Relative Intensity
55.05503	18.8
57.03431	4.2
57.07069	10.0
59.94419	3.5
65.52311	4.1
67.05518	32.5
69.07078	36.8
71.04995	6.1
71.13628	4.2
73.92397	3.8
79.05495	17.2
81.03419	5.5
81.06631	6.4
81.07063	68.5
83.04992	7.7
83.08617	16.9
85.06542	12.9
89.29806	3.2
91.05479	19.1
93.07048	37.1
95.04955	8.6
95.08606	62.8
97.06495	3.6
97.10159	9.1
98.20676	8.1
99.91466	3.6
105.07025	20.9
107.08595	46.4
109.06495	6.6
109.10160	39.4
111.08121	3.9
113.09679	6.6
117.07030	6.8
119.08580	31.1
121.06473	5.7
121.10144	35.7
123.08111	5.6
123.11711	24.6
129.07013	7.9
131.08568	15.3
133.10120	28.9
135.11679	25.8
137.09627	12.2
137.13255	11.7
143.08592	6.5
145.10117	15.8
146.82718	3.9
147.08107	5.0
147.11687	22.1
149.09602	9.2
149.13248	22.2
157.10120	10.8
159.07893	3.9
159.11700	16.4
161.13243	13.0
161.30203	3.4
163.11224	4.7
163.14830	14.5
165.09100	75.8
165.12796	4.3
169.10081	3.9
171.11670	11.9
173.13312	7.0
175.11197	5.1
175.14880	10.9
177.09166	5.0
177.16444	13.5
179.14281	3.6
185.13327	4.8
185.17061	3.7
187.14790	10.0
189.16370	12.8
191.10585	5.2
191.18069	4.6
199.14752	7.6
201.16351	5.6
203.10612	4.9
203.14281	5.7
203.17993	6.4
205.12196	9.7
207.17407	9.2
213.16386	6.8
215.18031	8.4
217.12236	4.4
231.13950	5.8
231.17447	5.7
233.18930	4.6
255.21062	4.6
255.74379	4.3
269.27866	3.9
353.28326	5.3
377.31967	7.6
395.33109	100.0
407.33124	12.0
413.33871	6.6
425.34216	19.7
436.17062	4.4
443.27457	6.2
443.35605	7.5
461.28680	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05514	6.3
57.07061	2.2
58.34412	0.7
67.05501	9.4
68.99990	0.8
69.03456	0.9
69.07069	8.4
71.04981	1.0
71.31982	1.7
72.26207	0.8
79.05486	3.4
81.07056	17.1
83.04990	1.3
83.08600	2.8
85.06535	1.8
91.05482	3.7
91.49162	0.7
93.07035	7.9
95.08611	16.6
97.06480	1.0
97.10180	2.9
99.08087	1.4
105.07011	3.9
106.00761	0.8
107.08593	10.3
107.94073	0.7
109.10162	12.4
111.08102	1.5
111.11726	1.6
111.33025	0.7
113.09594	1.0
115.60690	0.7
117.06992	1.3
118.59489	0.9
119.08605	6.0
121.06590	0.8
121.10169	8.0
122.07321	2.1
123.08141	1.1
123.11745	5.3
131.08580	1.0
133.10135	3.2
134.01591	0.8
135.08032	1.4
135.11726	4.6
137.09599	7.9
137.13243	2.3
139.07494	0.9
139.11287	0.9
143.20685	0.9
145.10182	1.1
147.04381	0.9
147.11679	2.5
149.09644	5.3
149.13264	7.3
157.10117	0.9
159.11734	1.5
159.50391	0.8
161.09610	0.9
161.13217	1.5
163.11142	1.9
163.14795	2.9
165.09109	100.0
172.77777	0.8
173.09554	0.9
173.13289	1.1
174.10271	0.9
175.11130	1.5
175.14842	1.4
177.09106	2.5
177.16438	1.7
179.10643	1.1
187.11191	1.7
189.09128	2.0
189.12706	1.5
191.10652	3.1
191.17955	2.6
203.10622	3.5
203.14211	1.4
203.17944	1.7
205.12224	6.0
217.15819	1.0
217.19548	1.4
223.36412	0.8
231.13770	3.2
245.15219	0.9
309.27939	1.3
371.33078	2.9
389.33853	0.9
425.34381	2.0
443.35181	5.1
461.36368	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01883	14.9
55.05510	18.9
57.03447	6.1
57.07070	5.1
59.05005	3.9
59.47730	2.1
61.02924	7.8
67.05509	15.9
68.99784	5.9
69.03070	3.7
69.03434	61.3
69.07073	45.3
71.01339	3.4
71.04990	15.1
71.61263	2.9
73.02908	10.1
79.05497	10.3
81.03423	40.6
81.07052	31.1
83.04996	13.6
83.08609	9.9
85.02909	100.0
85.06541	21.2
86.09711	5.4
87.00830	31.7
91.05479	9.0
93.07054	17.8
95.04948	5.7
95.08610	45.4
97.02901	35.5
97.06516	6.9
97.10167	11.6
98.78742	2.6
99.04475	20.4
99.08086	26.1
103.07582	3.6
105.01896	18.8
105.02518	3.6
105.07045	11.8
105.61803	2.6
107.08605	31.4
109.02882	43.1
109.06515	5.1
109.10160	18.2
111.08112	5.3
111.11730	9.8
111.50506	2.2
113.09635	11.1
117.01842	4.2
119.08586	8.1
121.10134	32.1
123.08104	5.6
123.11739	12.4
125.09611	9.2
127.03918	74.1
127.11149	3.3
129.01830	7.8
131.08562	3.0
133.10118	9.0
135.08041	5.4
135.11668	14.9
137.05984	6.3
137.09645	3.7
137.13239	16.7
139.11191	7.6
145.04970	22.1
145.10126	3.9
147.02876	7.1
147.11674	5.1
149.09738	3.4
149.13217	4.3
151.07558	14.0
151.14861	5.3
153.12779	17.0
159.02896	23.2
159.11711	3.0
163.11220	3.0
165.09082	5.3
167.07034	3.0
177.09068	2.6
177.12962	2.7
177.16394	69.4
189.04036	4.0
191.10670	4.5
195.17448	68.3
206.44429	2.5
213.03987	2.7
213.18504	48.8
231.05043	13.2
275.07129	2.5
443.27640	3.4
461.24216	4.0
461.30823	9.6
467.23611	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	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01863	5.2
55.05508	27.2
57.03426	2.0
57.07080	14.8
59.51265	1.8
61.02916	2.4
65.03941	1.9
67.05505	22.0
69.03415	2.8
69.06715	2.9
69.07069	46.6
71.08615	7.6
71.62056	1.6
76.60466	1.6
79.05498	12.6
81.03407	4.8
81.07059	48.9
83.04962	4.3
83.08622	25.0
85.06553	3.7
85.10149	3.9
90.41161	1.6
91.05473	8.6
93.07062	12.0
95.04963	7.2
95.08608	36.1
97.02874	5.9
97.06548	2.0
97.10172	14.0
99.04433	2.0
105.03391	2.7
105.07015	7.7
107.04946	7.4
107.08590	11.7
109.02863	6.9
109.06509	4.2
109.10148	25.0
111.04440	3.9
111.11727	8.8
115.03952	1.8
117.07048	1.7
119.08575	11.8
121.06490	3.6
121.10167	10.1
122.28725	1.8
123.04451	4.7
123.08079	3.5
123.11711	9.8
125.02343	15.8
125.13253	3.0
131.08521	5.9
133.02837	4.5
133.10110	7.8
135.04428	12.7
135.08044	4.3
135.11717	9.1
137.05971	2.0
137.09644	8.3
137.13229	5.7
139.03937	2.2
139.07539	3.2
143.08565	3.7
143.63612	1.8
145.06384	2.1
145.10124	6.1
147.04463	1.9
147.08017	3.3
147.11697	2.3
149.09622	13.7
149.13222	4.3
149.38721	1.8
151.03889	19.4
151.07523	4.8
151.14864	3.5
153.05441	5.4
153.09081	1.7
157.10109	3.8
159.08072	1.9
159.11647	3.9
161.02339	9.3
161.09650	4.2
161.13313	4.1
163.07565	2.0
163.11214	10.0
163.14839	3.1
165.05423	2.6
165.09126	94.4
167.03450	2.6
167.06950	2.7
171.11629	2.1
173.09612	2.1
173.13301	3.8
175.07506	2.6
175.11176	4.4
175.14833	2.0
177.09149	8.6
177.12747	2.6
179.03427	17.9
185.04416	5.0
185.13232	3.1
187.11139	1.9
189.09099	4.6
189.12715	2.4
191.10649	9.6
197.04459	100.0
201.12711	2.6
201.16438	1.9
203.10666	5.9
203.14302	3.7
205.12277	9.5
211.05920	8.8
225.07486	2.6
239.09058	6.0
251.09268	1.9
253.10709	10.3
265.10678	2.7
267.12347	4.1
279.12262	2.9
281.13800	2.7
309.16971	3.5
323.18378	3.3
337.20001	3.1
351.22217	2.1
369.23920	1.8
405.26260	2.4
415.31918	3.2
421.81409	1.8
443.35544	6.6
461.32239	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	461.2359
Annotation	Ala Lys Asn Glu
Peak:m/z	Relative Intensity
55.05506	0.9
67.05498	1.1
69.03416	0.4
69.07075	0.6
69.46785	1.9
69.47205	0.5
79.05497	0.5
81.07065	1.9
84.57011	0.3
85.06583	0.3
91.05485	0.7
93.07063	0.8
95.04966	0.5
95.08614	1.2
99.04430	0.4
105.07032	0.8
107.08578	1.2
109.06540	0.6
109.10153	0.8
117.06994	0.3
119.08571	1.0
121.10150	1.1
123.11754	0.4
131.08606	0.4
133.10175	0.5
135.08035	0.4
137.06017	0.3
143.01877	0.3
145.10103	0.5
147.11774	0.3
149.09627	0.4
151.07571	1.1
157.03416	0.4
159.01399	0.3
159.11696	0.6
165.09164	0.7
167.07066	0.7
175.07713	0.3
175.11206	0.4
177.09068	0.5
189.09109	0.3
191.10692	0.6
195.06569	0.3
205.12318	0.3
223.09872	0.4
329.19324	1.3
415.12704	0.3
461.23575	100.0
462.24026	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	459.3835
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05505	22.6
57.07066	7.7
65.24500	7.4
67.05493	30.1
69.03397	6.8
69.07071	43.7
71.13887	6.0
71.14234	12.2
79.05480	19.2
79.13988	6.6
79.28971	7.2
81.03430	8.2
81.07062	73.3
81.41332	6.2
83.08600	23.5
85.06489	6.9
91.05478	24.8
93.07044	44.1
95.04982	8.0
95.07574	5.7
95.08607	94.2
97.10164	13.4
99.04427	10.0
100.31392	6.4
105.07044	32.3
107.08598	57.3
108.70616	6.2
108.86462	6.4
109.06516	7.8
109.10139	56.6
111.08150	8.9
111.11765	6.8
119.08582	46.5
121.10149	100.0
123.08044	7.2
123.11720	55.9
131.08554	9.6
133.10150	35.3
135.08038	12.2
135.11656	36.6
137.05965	18.1
137.09523	6.7
137.13235	20.9
145.10107	12.1
147.11684	48.8
149.06099	6.7
149.13284	18.3
151.07501	10.3
159.11649	16.5
161.05922	7.6
161.13260	25.7
163.14861	7.8
171.11621	9.5
173.13203	12.8
175.14830	26.6
179.07037	16.5
179.14203	8.5
183.00375	6.8
189.16408	14.2
191.10779	9.0
201.16376	7.4
203.14275	9.8
203.18001	9.0
207.17365	7.2
215.17990	11.9
217.25027	7.3
225.94295	7.5
399.32477	8.3
413.38297	7.3
423.36432	42.6
441.37766	45.3
459.34485	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	460.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
53.92356	0.9
56.96556	0.9
61.02937	1.3
67.05523	1.5
69.03413	2.2
70.06599	2.9
71.61160	1.3
74.09709	3.4
77.88773	0.9
79.05471	1.2
81.03366	1.0
81.07051	1.0
83.04977	1.2
84.08144	1.5
85.02905	5.0
86.06103	1.0
86.09703	1.3
86.68272	0.8
91.05502	2.2
95.04980	1.0
95.08630	4.6
97.02885	1.5
97.06534	2.7
98.97612	2.7
99.04399	1.1
105.07016	1.8
109.06528	1.1
109.10101	1.7
110.97541	1.0
112.11264	1.1
123.08071	54.2
124.87650	0.9
127.03922	1.1
133.10193	1.4
145.05029	1.1
145.10074	1.1
147.08060	1.8
160.49629	1.1
161.09673	1.6
165.09114	100.0
175.11188	1.2
199.11200	2.5
202.92842	0.9
203.10655	1.4
205.08589	1.3
215.10622	1.0
217.12233	1.1
224.11932	2.3
233.11717	4.2
245.11768	1.7
249.02982	1.0
252.11266	1.0
259.21957	1.0
263.12799	19.9
265.08286	2.7
280.10840	1.4
281.14041	1.4
305.73972	1.0
460.18237	2.0
460.31149	3.3
461.19913	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	459.3832
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05508	7.7
67.05495	8.8
69.07069	17.4
69.96851	8.0
79.05486	5.5
81.07059	18.2
81.54659	1.3
83.04971	1.9
83.08610	5.3
85.06515	1.6
91.05490	9.0
93.07048	20.7
95.08038	3.1
95.08604	37.1
97.06508	2.5
97.10117	2.6
97.74601	1.5
99.08070	3.6
101.06003	2.3
105.07038	12.1
107.08589	31.1
107.98457	1.3
109.06475	2.3
109.10162	20.3
111.08041	2.6
111.11704	8.5
116.38626	1.4
119.08579	16.1
121.10135	27.5
123.11720	14.1
125.09672	1.5
131.08572	4.3
133.10133	13.1
135.11684	20.9
137.13243	3.3
143.08574	2.8
145.10133	10.5
147.11699	11.3
149.13240	15.7
157.10178	2.4
159.11690	15.3
161.13257	8.1
163.14775	4.7
167.14290	9.4
171.11630	3.4
173.13240	5.8
175.14896	3.9
177.16386	15.2
185.13284	4.0
187.14801	9.1
189.16396	5.6
191.17903	3.9
192.10924	1.5
195.17442	15.1
199.14827	2.8
201.16359	22.0
203.17952	19.7
213.16386	6.3
215.17921	8.6
217.19505	2.1
223.17101	2.0
225.16457	2.3
227.17928	6.3
229.19595	1.7
233.19012	4.1
235.20609	2.0
239.17981	1.8
251.20052	27.9
279.23251	2.9
281.22647	2.6
283.24203	10.0
332.74838	1.5
405.35135	6.1
423.36203	100.0
424.36530	3.1
441.37430	23.6
459.38409	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3849
Annotation	Salvistamineol
Peak:m/z	Relative Intensity
53.03934	2.7
55.05516	15.8
56.96572	3.3
57.03424	3.2
57.07071	7.8
57.19389	2.3
67.05508	23.1
68.03091	2.1
69.03409	2.3
69.07075	27.3
70.73307	6.4
71.04996	2.5
71.08620	2.7
79.05488	15.4
81.07060	46.9
82.27256	2.6
83.08619	11.7
85.02895	4.1
85.06530	3.1
91.05476	13.9
93.07048	45.4
93.07613	3.5
95.04965	5.3
95.08607	73.5
97.06528	6.8
97.10183	5.2
99.08103	4.5
105.07034	37.7
107.07860	3.8
107.08591	62.2
108.08932	2.4
109.06519	5.5
109.10159	43.4
110.10493	2.1
111.08088	4.3
111.11726	8.6
117.07018	5.7
119.08589	45.7
121.10143	50.1
123.08051	5.7
123.11701	24.2
125.09618	3.8
125.88129	2.3
129.06987	3.0
131.08624	10.9
131.09514	2.2
133.06500	5.1
133.10127	41.4
134.01607	2.4
134.10504	2.1
135.08061	8.6
135.11700	47.0
137.09604	5.2
137.13271	5.7
139.11168	2.3
143.08578	5.8
145.10114	25.2
147.11703	27.2
149.09604	5.1
149.13268	22.1
151.07545	3.8
151.11121	3.0
157.10133	6.8
159.11697	27.0
161.13234	26.5
163.11263	4.1
163.14832	17.0
165.09094	2.7
167.14342	4.8
170.62695	2.6
171.11671	4.9
173.13258	20.7
175.14841	13.7
177.16426	14.7
179.14265	3.4
185.13281	4.1
187.11273	3.0
187.14839	18.5
189.16403	27.2
190.74326	2.3
191.17944	20.2
195.17467	6.4
199.14806	4.0
201.16409	34.2
203.17943	22.2
207.17465	34.5
213.16425	6.2
215.17914	13.9
217.19585	6.1
219.17438	88.4
227.17929	4.7
229.19586	3.9
233.19032	5.7
233.44333	2.7
241.19455	3.1
250.07979	3.7
251.20155	20.2
256.06964	2.4
267.21036	4.1
269.22632	3.6
277.16165	2.5
281.06827	2.8
281.22586	5.6
283.24268	9.4
295.17334	3.8
297.16989	4.5
331.10355	6.1
405.35141	8.8
411.36185	3.2
423.36380	72.9
441.37607	100.0
459.38910	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03941	2.0
55.05512	12.0
57.03440	3.6
57.07061	4.7
67.05496	20.2
69.03423	2.2
69.07062	15.1
69.94333	9.8
79.05502	12.8
81.07057	44.9
83.04975	2.4
83.08606	8.2
85.06533	4.3
91.05480	17.1
93.07039	35.9
95.04979	4.1
95.08607	61.1
95.72054	2.3
97.06506	5.8
97.10159	2.4
105.07030	32.1
107.07870	2.4
107.08592	49.1
109.06500	4.6
109.10159	55.3
111.08049	5.5
111.11784	2.8
113.09659	2.6
117.06974	2.9
119.08584	42.2
121.06486	4.6
121.10135	30.9
123.08067	5.9
123.11681	18.2
125.09597	2.5
127.11196	15.6
129.06927	2.6
131.08566	15.1
133.06389	2.3
133.10139	41.1
135.11699	37.2
137.09625	3.6
137.13277	6.5
139.11142	2.0
143.08551	8.1
145.10135	20.4
147.08043	7.4
147.11688	33.0
149.13261	17.4
151.11183	3.8
153.09058	2.5
153.12747	3.7
155.08539	3.2
157.10103	9.8
159.08040	4.4
159.11713	19.6
161.09622	4.1
161.13268	18.5
163.14839	8.6
165.09029	3.6
169.10123	5.4
171.11690	9.1
173.09657	6.4
173.13309	15.6
175.11116	3.6
175.14838	11.7
177.12732	2.8
177.16353	6.4
183.11726	6.3
185.13208	15.6
187.11247	4.9
187.14825	10.4
189.12675	2.9
189.16386	20.4
191.14299	9.4
191.17946	2.9
197.13268	7.5
199.14761	10.4
201.12732	17.3
201.16408	12.7
203.14252	17.3
203.17924	22.6
205.19487	2.6
207.17433	16.5
209.13252	3.7
211.14952	3.6
215.14342	23.4
215.17943	4.5
217.15787	3.0
219.13832	10.9
219.17354	3.8
221.18994	2.5
223.14746	2.9
225.16289	4.1
227.17900	4.1
237.16290	2.6
241.19395	3.7
243.17354	3.8
249.16568	2.9
251.17961	4.5
265.19531	2.7
269.18985	12.2
271.20560	2.5
279.21082	5.0
283.20609	2.9
287.19992	6.7
287.96225	2.1
295.20456	4.0
297.22137	7.3
299.19931	2.3
301.21448	2.7
309.22171	4.4
313.21564	3.9
315.23318	14.3
327.23114	6.2
344.22458	2.0
367.26328	5.1
381.27734	4.3
387.30432	21.1
405.31488	32.8
413.34207	6.1
423.32574	100.0
424.32785	4.0
434.94272	2.5
441.33533	29.7
459.34888	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	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27826	0.3
53.03941	1.0
55.01872	0.6
55.05514	3.4
56.96552	0.4
57.03436	0.5
57.07067	0.8
65.03941	0.6
65.54214	0.2
67.05508	8.2
69.03421	1.1
69.07068	3.0
69.68470	1.6
71.04989	0.7
71.08662	0.3
79.05498	5.2
81.03423	9.3
81.07059	7.9
81.07488	0.2
82.03680	0.3
83.04990	2.6
83.08611	2.9
85.02885	0.6
85.06534	1.2
91.05488	6.6
93.07046	4.7
94.07368	0.3
95.04977	3.5
95.08614	6.3
96.08949	0.4
97.02899	0.3
97.06512	0.7
97.10172	1.2
98.97572	0.9
99.08089	0.6
105.07038	4.5
107.04997	1.8
107.08595	4.2
109.06496	1.2
109.10158	7.0
110.97590	0.7
111.04408	0.4
111.08071	0.9
112.99134	0.4
113.09608	0.3
115.40905	0.3
117.07030	1.2
119.08580	6.3
121.06500	1.2
121.10129	2.7
122.07300	1.9
123.08070	1.1
123.11730	2.1
124.99097	0.4
125.09637	1.1
127.07616	0.3
129.07030	2.2
131.04874	0.3
131.08560	2.3
133.06459	0.6
133.10147	3.2
135.11710	2.0
137.05940	0.5
137.09625	11.8
137.13228	0.7
139.11214	2.4
141.06989	0.3
142.07864	0.5
143.00177	0.7
143.08577	1.2
143.45801	0.3
145.06496	1.8
145.10130	1.3
147.08046	1.0
147.11713	2.2
149.09642	1.2
149.13246	1.4
151.07530	0.8
153.09097	0.3
155.08565	0.5
157.10188	1.6
159.08047	0.4
159.11674	0.9
161.05882	0.3
161.09624	0.5
161.13249	0.8
163.11226	0.5
163.14815	1.0
165.09122	100.0
166.09483	1.1
167.07184	0.4
169.10100	0.4
171.08006	0.5
171.11668	0.5
173.09749	0.3
173.13248	0.8
175.11180	1.3
175.14821	0.8
177.09186	0.5
177.16454	0.5
181.10054	0.3
185.01266	0.7
185.13295	0.6
187.14825	0.7
189.09233	0.4
189.11171	0.5
189.12790	0.5
189.16388	0.9
191.17976	0.5
193.12271	4.5
197.13220	0.4
199.14767	0.3
203.02266	0.8
203.14282	0.6
203.17976	0.7
205.12248	2.8
217.12373	0.5
233.15405	0.5
237.22104	0.4
239.14259	0.3
245.05193	0.4
249.15002	0.6
273.14929	0.8
277.25311	2.3
289.25299	0.6
295.26370	2.6
307.26279	1.2
319.03369	1.3
320.03625	0.7
323.20068	0.3
337.04477	0.8
338.04745	0.5
349.21561	1.0
367.22650	2.0
385.23880	1.8
400.95200	0.3
403.24478	0.5
423.33075	0.7
441.34430	1.6
459.27237	6.7
459.34412	0.9
460.27243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Platanic acid
Peak:m/z	Relative Intensity
52.03461	2.3
55.05508	10.1
57.07063	3.5
61.40495	2.1
61.45753	2.0
65.03928	2.0
67.05514	14.2
69.07078	20.4
69.72830	15.3
79.05489	10.0
81.03402	3.2
81.07056	35.5
82.86256	2.7
83.08606	6.3
85.06554	13.1
90.59491	2.3
91.05494	12.0
93.07041	20.2
95.08609	39.8
97.06535	5.1
97.10174	3.9
105.07036	17.4
106.27512	2.4
107.08600	34.2
109.06536	3.1
109.10158	25.9
111.08077	3.0
113.97076	2.2
117.07001	4.6
119.08590	24.0
121.10139	25.8
123.08097	3.4
123.11707	11.9
125.09700	2.7
131.08617	10.9
133.10152	14.8
135.08118	2.7
135.11674	17.5
136.82062	2.8
137.09616	13.2
137.13237	4.9
143.08534	4.0
145.10117	17.4
147.11697	14.0
149.09622	6.0
149.13260	12.5
155.08548	3.4
157.10118	5.3
159.11716	12.9
161.13234	11.2
163.11220	6.0
163.14806	8.5
165.09123	100.0
169.10152	4.5
171.11690	9.3
173.13283	9.3
175.14835	11.9
177.09186	3.7
177.12555	2.4
177.16429	5.7
183.11749	5.2
183.29684	2.3
185.13297	6.1
187.14854	11.1
189.12755	4.4
189.16319	13.7
191.10669	5.3
191.14337	8.3
191.17972	8.9
193.15923	5.1
195.11888	2.4
197.13277	4.5
199.14839	7.1
201.12653	3.3
201.16405	5.9
203.10701	4.9
203.14163	2.4
203.18004	3.8
205.12262	9.0
207.17435	6.8
213.16432	3.1
215.14394	3.4
225.16437	4.2
227.18028	4.4
239.17952	3.0
243.17526	7.2
245.18988	4.9
255.17491	6.0
257.19101	2.8
269.19034	4.9
301.14154	8.1
375.30771	3.6
387.30521	4.4
393.31439	34.0
395.33130	5.3
405.31277	15.2
411.32483	8.6
413.34006	4.0
423.32455	13.6
441.33514	28.3
459.34702	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03935	1.6
55.05508	7.6
57.07068	2.9
59.05003	1.1
67.05505	8.7
69.03422	1.4
69.07072	12.3
69.48705	6.9
71.04990	2.6
71.08638	1.4
73.60818	0.8
75.13461	0.8
79.05506	6.0
81.03416	1.8
81.07056	18.6
83.04980	3.3
83.08627	7.1
85.06564	5.6
91.05493	6.8
93.07042	17.2
95.05022	2.1
95.08607	26.0
97.02903	1.1
97.06525	3.5
97.10165	4.7
99.04464	1.3
99.08108	1.5
105.07034	17.6
107.00917	0.8
107.08595	22.2
109.06536	2.9
109.10155	21.7
111.08091	3.0
111.11752	1.2
117.07017	2.0
119.08578	19.9
120.08949	1.1
121.06521	1.7
121.10149	17.4
123.08078	2.7
123.11707	9.0
125.09645	2.5
129.07021	1.5
131.08578	7.3
133.10129	17.9
135.08080	2.6
135.11685	9.8
137.09677	2.1
137.13269	4.0
139.07562	1.4
142.07828	1.1
143.08568	3.5
143.10677	1.3
145.10133	11.3
147.08086	3.0
147.11687	14.8
149.09641	1.9
149.13254	10.1
151.07574	3.1
151.11194	3.5
153.12688	0.8
153.79565	0.9
157.10129	6.4
159.08115	0.9
159.11707	9.3
161.09647	2.3
161.13268	11.5
163.11226	2.4
163.14851	2.8
165.09128	1.9
165.12791	1.0
167.14273	1.2
169.08662	1.2
169.10065	1.6
171.11711	4.2
173.13292	5.8
175.11209	4.0
175.14859	7.8
177.09163	1.2
177.12764	5.5
177.16411	2.4
181.12276	1.2
183.11676	2.8
185.13258	5.9
187.14824	7.8
189.12813	1.6
189.16389	6.5
191.14278	2.3
191.17981	2.4
193.15871	1.8
197.13281	2.2
199.14789	4.4
201.12733	1.6
201.16391	8.0
203.14325	5.7
203.17905	4.2
205.15878	1.4
207.17500	3.0
211.14780	1.4
213.16380	2.9
215.14316	1.7
215.18042	2.7
217.15887	2.0
219.13890	2.4
219.17476	3.8
221.19060	1.2
225.16425	1.9
227.18042	3.0
229.19626	2.0
231.17464	1.7
233.18959	1.8
237.18422	1.9
239.17973	2.2
241.19537	1.0
249.18471	1.4
253.19624	2.9
255.20998	1.1
267.21115	2.2
269.22574	1.6
271.20645	3.8
273.22009	1.2
273.90274	0.9
281.22815	1.1
299.23633	1.4
329.01480	1.0
353.24991	2.1
356.95685	0.9
381.27988	1.9
387.30551	0.9
397.30902	1.2
405.31589	4.2
407.72668	0.9
413.34067	1.2
423.32001	13.3
441.33466	33.2
442.33981	1.2
459.34756	100.0
460.35181	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	459.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05502	2.5
56.96560	1.6
57.03426	1.5
57.07061	0.9
58.02952	1.6
58.06596	3.7
61.02921	1.7
62.14074	0.5
63.34437	0.6
65.03921	0.6
67.05499	3.1
67.60934	0.6
69.03421	6.6
69.07062	5.9
70.06592	6.6
70.07381	1.6
70.88924	0.9
70.89252	1.2
71.04986	1.1
72.04502	1.7
72.08145	2.1
73.02910	2.8
79.05495	1.5
79.48078	0.6
81.03416	1.7
81.07056	14.4
84.08140	27.2
85.02901	10.8
86.06068	24.8
86.09692	2.4
87.04464	2.1
89.06040	0.9
91.03947	0.8
91.05501	1.2
93.07044	1.8
95.08615	2.4
97.02898	5.6
97.10179	1.4
98.97588	4.1
99.04424	0.9
99.76746	0.6
100.07625	1.5
105.07023	1.4
107.08578	1.7
109.02847	1.5
109.10170	1.1
110.97586	1.0
111.11744	1.1
112.11242	69.3
112.99094	0.9
113.11586	1.0
116.98604	1.4
119.08565	1.2
120.08073	0.6
121.10143	1.5
123.11718	10.2
127.03914	3.3
128.98596	1.0
129.12755	0.9
133.10138	1.2
145.04970	0.8
147.13812	2.9
148.14125	1.8
152.14377	1.2
158.99615	0.8
170.15440	1.0
170.99663	0.8
174.07323	0.6
180.17506	4.8
182.15372	2.6
191.14330	0.9
195.11835	0.8
197.11601	0.7
198.14874	0.6
198.18517	11.8
208.16982	2.6
219.01949	0.7
226.18010	23.7
237.03052	1.0
239.08519	0.9
240.09500	1.7
241.37306	0.7
249.02908	1.3
251.24826	1.8
269.25864	26.9
279.24319	1.3
280.10693	2.1
287.08505	0.6
297.25363	27.6
360.23859	1.4
388.23276	15.1
415.19333	1.7
431.31128	17.7
459.17685	12.1
459.30652	100.0
460.30838	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.01870	8.3
55.05514	15.4
55.63641	2.8
57.03421	4.1
57.07079	6.0
58.96279	2.7
61.02908	3.9
67.05501	28.1
69.03429	38.6
69.07076	21.1
71.04987	7.3
71.61452	5.2
73.02900	4.1
79.05495	8.6
81.03424	23.0
81.07051	27.2
83.04975	12.0
83.08620	8.5
85.02903	71.8
85.06548	12.1
87.00816	25.5
91.05483	8.2
93.07051	15.8
95.08608	56.9
97.02883	19.8
97.06540	4.9
97.10173	3.9
99.04462	8.8
99.08120	3.7
105.01865	27.6
105.07041	11.1
107.08594	25.7
109.02866	22.9
109.06526	10.3
109.10157	100.0
111.08078	5.0
111.11736	3.0
113.09702	3.2
115.73005	3.1
119.08595	37.5
121.10167	17.2
123.08085	13.0
123.11711	10.7
127.03915	48.1
127.11098	3.1
129.07021	4.4
131.08546	4.8
133.10130	22.6
135.11700	73.8
136.07564	8.2
137.05910	3.8
137.09593	25.7
137.13222	4.4
139.11150	5.4
145.04967	23.1
145.10075	5.5
147.08075	2.7
147.11729	6.8
149.09621	5.3
149.13269	11.0
151.07547	22.2
151.11185	7.8
151.14848	9.7
159.02896	6.8
161.09645	3.0
163.14883	3.5
165.09123	50.9
165.16335	4.1
167.07039	8.1
175.14809	41.7
177.09102	6.0
177.16386	3.7
179.14426	3.0
189.03928	3.1
191.10666	10.2
193.05048	3.3
193.08754	3.4
193.15883	61.4
205.12213	5.9
211.16934	84.9
213.04123	3.2
231.05023	12.7
245.08102	10.4
292.15454	3.4
356.59528	2.6
360.76208	3.0
365.03592	2.6
403.43820	3.2
410.15198	3.2
423.20139	3.1
459.21570	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	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01863	4.3
55.05505	9.7
57.03431	6.4
57.07060	2.8
57.19875	2.1
57.68217	2.0
59.05005	2.4
61.02923	2.9
67.05509	26.1
68.99770	2.5
69.03433	31.4
69.07066	18.9
71.04993	7.3
71.61299	2.2
73.02910	4.5
79.05490	7.6
81.03420	22.2
81.07050	30.3
83.04980	9.1
83.08600	7.8
85.02911	62.1
85.06532	9.9
85.92871	2.3
87.00835	25.3
91.05480	8.4
93.07048	15.1
95.04975	3.7
95.08610	50.7
97.02901	15.5
97.06525	3.8
97.10156	3.2
99.04464	9.0
99.08082	4.0
103.69627	2.2
105.01880	23.3
105.07024	14.9
107.08588	28.3
109.02883	22.0
109.06547	10.5
109.10160	100.0
111.08096	5.3
115.03965	3.0
119.08591	42.3
121.10123	16.6
122.06031	3.4
123.08078	15.7
123.11704	12.4
125.09680	3.8
127.03056	3.9
127.03928	45.6
128.06328	2.5
129.01828	2.9
131.08554	3.4
133.10123	21.8
135.10667	4.6
135.11693	88.9
136.07579	9.0
137.09615	25.9
139.11186	4.9
145.04971	12.3
145.10135	2.5
147.02786	2.4
147.07951	2.5
147.11667	4.6
149.13254	7.5
150.05617	2.3
151.07564	9.0
151.11171	9.1
151.14842	12.1
153.12662	3.5
159.02887	9.6
165.09122	16.5
165.16394	4.2
167.07054	3.4
175.14832	48.7
177.58855	2.3
179.14325	3.4
181.15852	2.8
189.09096	2.9
193.15892	73.3
195.17482	4.7
211.16939	68.0
213.03940	3.0
231.05023	9.2
240.78207	2.2
245.08221	10.9
304.53162	2.7
459.14844	10.1
459.21527	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	459.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.5
55.05499	2.1
57.03397	0.9
59.47953	0.7
67.05493	4.0
69.03407	1.7
69.07050	2.3
69.32410	1.3
69.32809	6.3
79.05472	2.9
79.67809	0.7
81.07053	5.4
83.04974	1.0
83.08626	1.2
85.02879	1.4
85.06532	1.4
86.09595	0.7
91.05458	2.4
93.07048	3.4
95.04954	1.5
95.08603	5.7
97.02874	1.1
97.06497	0.8
97.10149	1.0
99.04459	1.0
99.08101	1.0
101.59503	0.7
105.07003	3.0
106.53922	0.6
107.04946	1.2
107.08588	3.8
107.24135	0.6
109.06513	1.3
109.10150	4.2
111.04404	1.4
119.08570	3.3
121.06514	1.0
121.10133	2.9
123.08061	2.8
123.11706	2.0
125.09605	0.9
127.03926	1.0
131.08571	1.7
133.10112	2.3
135.08015	1.3
135.11661	1.8
137.06010	0.9
137.09592	3.1
139.11104	0.9
143.08609	0.9
145.10130	1.6
147.11684	1.6
149.09615	1.1
149.13240	0.9
151.07538	16.3
157.06544	0.9
157.10136	0.9
159.08022	1.0
159.11713	0.9
161.09573	2.4
163.11140	0.9
165.09117	15.1
167.07056	4.2
171.08060	0.7
173.09535	0.8
173.13127	0.9
175.11154	3.2
175.14745	1.7
177.09093	2.3
184.05383	0.7
187.11131	1.0
187.14832	1.0
189.05220	4.1
189.08974	0.8
189.12738	1.0
191.10666	3.2
193.15944	1.4
199.11200	1.6
203.10641	1.0
205.12236	1.0
211.16942	1.1
217.04710	1.1
219.06270	11.3
231.06296	0.9
234.08627	94.8
235.09386	9.6
241.05049	0.7
245.08142	4.5
247.05859	1.7
248.06595	1.0
249.11255	2.2
275.11258	1.5
339.12170	1.0
399.14258	2.0
428.14337	2.2
429.15237	5.0
441.30316	1.3
459.16232	100.0
459.30533	2.1
460.16531	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
56.96556	0.5
61.96029	0.6
62.77875	0.5
65.03924	0.5
67.05495	1.6
69.07070	0.8
70.06589	0.6
71.27260	0.8
72.08157	1.5
79.05471	0.9
81.07067	2.6
83.04984	0.6
84.04510	1.0
84.08130	2.7
85.02908	0.6
85.08522	0.8
86.06074	0.9
86.09703	4.8
87.10001	0.6
91.05476	4.7
93.05801	0.6
93.07051	3.0
94.06551	1.2
95.04932	1.0
95.08595	1.5
96.08121	1.1
97.02908	0.5
97.06521	0.7
105.04521	0.6
106.06557	0.6
107.08622	1.0
108.08115	1.5
114.05518	0.6
121.06522	0.7
122.06036	6.8
124.03977	0.9
124.07594	20.4
126.05558	1.5
129.10242	1.2
136.07579	100.0
137.07904	1.0
138.09135	1.7
150.05524	3.4
152.07066	50.0
154.08632	35.7
156.10165	1.1
163.03885	0.8
164.07069	3.7
168.06570	1.1
170.08128	43.5
182.08214	0.9
184.09689	0.6
191.14389	0.5
226.78052	0.6
242.02556	0.5
273.15979	0.6
287.13885	2.9
291.17001	2.2
305.14886	4.4
329.91626	0.6
401.26538	0.7
440.21881	1.2
457.79401	0.6
458.23428	5.7
459.21756	0.9
459.56516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.05511	0.7
65.03946	1.0
67.05482	2.4
69.07059	1.3
70.06577	0.6
72.08141	1.9
78.53216	0.7
79.05469	1.0
80.05018	0.7
81.07048	2.1
83.04965	0.7
84.04488	1.0
84.08141	5.5
85.02902	1.3
85.08440	1.0
86.06045	1.1
86.09705	10.6
86.78996	0.6
91.05481	4.0
93.05753	1.0
93.07035	4.2
94.06579	1.4
95.04973	1.7
95.08624	0.7
96.08118	1.7
97.06535	0.7
98.97562	1.1
103.02997	0.7
105.03439	0.7
105.06979	0.9
107.08597	1.2
108.08117	2.1
114.05511	1.0
122.06035	8.2
124.03971	0.8
124.07592	20.6
126.05492	1.6
129.10243	3.4
136.07579	100.0
137.07928	1.5
138.09152	1.5
143.11800	0.9
150.05508	3.7
152.07072	48.3
153.05525	0.7
154.08629	34.3
156.10188	0.9
162.07686	0.9
163.03880	0.7
164.07065	4.1
167.07043	0.7
168.06610	0.8
170.08127	43.2
175.14766	0.6
214.12193	0.6
287.13907	3.8
291.17065	1.9
295.08658	0.8
305.14957	4.9
349.89676	0.9
351.86716	0.7
401.26715	1.0
440.21744	2.0
457.79242	1.4
458.24060	9.1
459.22040	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	458.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10603	0.6
56.96543	0.7
62.16821	0.5
68.59380	0.5
69.51595	0.5
70.61755	1.0
70.62086	1.2
78.83310	0.5
79.05501	0.9
85.02896	2.2
85.06531	1.1
86.29218	0.6
91.05453	1.0
93.07056	1.1
96.87514	0.6
98.97585	1.6
103.05480	6.6
107.04946	3.0
120.08105	100.0
121.02860	0.7
127.03912	1.4
128.98590	0.9
131.04909	2.9
131.07016	1.2
149.05962	1.5
163.03891	0.7
166.08636	47.7
181.58356	0.6
194.50214	0.5
200.52168	0.6
237.02711	1.0
347.55075	0.6
365.77396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.5
55.42336	4.0
57.03439	5.3
57.07063	5.5
61.13839	5.4
67.05506	27.8
69.07071	29.0
69.63783	28.5
71.04982	6.9
79.05479	23.6
81.07065	58.5
83.04996	5.0
83.08609	15.2
85.02898	11.5
90.94579	3.9
91.05479	23.5
93.07059	50.9
95.04971	9.7
95.08609	100.0
97.06499	5.0
97.10115	5.4
105.07034	35.2
107.08598	74.8
109.06489	8.4
109.10160	52.0
111.08089	5.2
117.07008	4.8
119.08592	70.7
121.06532	9.6
121.10141	59.9
122.10428	6.2
123.11709	23.9
125.09621	4.5
129.05504	4.9
131.08595	20.1
133.10156	47.5
135.08095	8.4
135.11693	49.1
137.09637	4.8
137.13249	7.4
143.08527	9.4
145.10132	26.4
147.08014	6.5
147.11690	38.1
149.13263	30.3
151.11220	6.2
157.10139	9.4
159.11708	25.2
161.09550	4.3
161.13300	24.8
162.06013	4.2
163.14830	43.4
165.09067	6.5
167.08427	4.1
168.93677	4.3
169.10091	8.2
171.11708	10.1
173.13281	24.9
175.11330	5.2
175.14810	26.3
177.16344	18.7
179.14313	5.8
185.13289	12.2
187.11208	6.8
187.14879	19.2
189.12822	6.2
189.16360	45.4
191.14317	9.6
191.17992	26.0
195.11687	4.8
199.11162	5.1
199.14871	9.2
201.16389	13.0
203.14284	6.6
203.18021	34.4
207.17433	14.9
207.38963	4.5
213.16360	7.9
215.18036	6.5
217.19466	8.5
219.13785	5.2
221.18983	8.7
225.16353	5.2
231.21066	11.1
233.19173	5.7
235.17038	7.8
239.17856	5.6
255.73541	4.5
411.36295	90.6
421.30734	11.9
439.31406	22.0
457.27213	7.7
457.33005	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.03940	1.3
55.01853	1.1
55.05506	7.0
57.07074	1.4
58.36283	1.0
59.41248	0.8
66.25932	0.9
67.05509	11.0
69.03415	2.3
69.07072	7.9
69.83546	2.0
69.83957	4.0
73.06560	0.9
79.05496	12.3
79.63844	1.1
80.35470	0.9
81.07058	27.0
83.04967	4.2
83.08620	4.2
85.06536	1.3
91.05476	12.2
93.07045	26.4
95.04958	3.0
95.08607	36.6
97.06534	6.7
97.10173	1.6
98.21539	1.1
104.91853	0.9
105.07024	22.1
107.04939	1.2
107.08596	33.1
109.06502	2.1
109.10152	22.5
111.08080	3.8
111.11733	1.3
115.05370	1.0
115.07553	1.3
117.07030	3.6
119.08582	31.5
121.06478	1.4
121.09296	1.9
121.10143	35.4
123.08067	6.1
123.08819	1.0
123.11724	10.2
125.09624	1.6
128.06232	1.5
129.06976	2.6
131.08557	9.8
133.10132	20.3
135.08052	2.1
135.11703	24.6
137.09633	1.7
137.13255	2.7
143.08519	4.8
144.09351	1.5
145.10124	15.0
147.08032	1.5
147.11685	17.2
149.09592	4.1
149.13225	7.6
151.11151	1.7
155.08549	1.1
156.09331	1.2
157.10135	8.3
159.11676	10.9
161.09613	1.8
161.13254	10.3
163.11198	1.3
163.14847	7.2
165.09058	2.3
165.12766	2.3
169.10089	2.0
170.10922	1.7
171.11691	7.9
173.13237	9.2
175.11139	1.9
175.14833	7.7
177.12801	1.8
177.16380	3.1
179.14290	3.7
183.08284	0.8
183.11734	1.9
185.13240	4.3
187.14842	7.9
189.16380	14.6
191.14250	1.8
191.17978	9.0
193.10118	1.0
195.11688	1.4
197.13286	1.9
199.14732	4.6
201.16412	7.0
203.14328	2.2
203.17935	5.8
205.15996	1.7
207.17432	9.2
213.16370	4.1
215.17981	3.1
217.15930	2.0
217.19615	1.5
223.14850	1.0
227.17944	3.4
229.19513	3.2
231.17375	1.8
233.15373	1.6
235.16890	1.5
237.16409	1.4
239.17885	1.4
241.19487	3.0
243.21002	1.3
249.18373	1.8
255.21179	1.2
269.22742	2.0
315.27136	1.6
323.27243	1.3
325.28833	1.5
333.70505	1.1
362.81479	1.2
400.38095	1.0
403.33731	1.5
409.30920	3.0
411.36658	1.3
421.35300	5.6
425.75491	1.1
439.36417	18.3
457.37067	100.0
458.36877	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05504	3.5
57.07066	3.9
62.65438	1.1
67.05501	6.5
69.07068	10.5
70.84821	1.6
70.85174	3.4
74.36663	1.2
79.05483	3.8
81.06717	1.1
81.07069	12.4
83.08617	3.0
91.05465	5.3
93.07046	10.4
95.04960	3.6
95.08614	26.3
97.06547	1.7
97.10163	2.1
105.07040	10.6
107.08604	17.2
109.06528	3.9
109.10159	18.8
117.07036	1.3
119.08584	20.8
121.06516	2.0
121.10146	21.3
123.08076	3.8
123.11727	6.8
131.08591	4.6
133.10144	26.3
135.08051	4.5
135.11681	10.7
137.09615	3.1
137.13225	4.4
143.08568	2.7
145.10156	9.8
147.08060	2.5
147.11716	9.8
149.09615	4.4
149.13264	9.0
156.99617	1.3
157.10100	3.7
158.10980	1.8
159.11702	8.2
161.09630	2.8
161.13260	15.0
163.11270	1.4
163.14745	1.8
169.10165	1.4
171.11731	3.8
173.09665	2.1
173.13228	7.2
175.14824	15.6
177.12759	3.1
177.16389	1.5
183.11765	1.8
185.13228	3.4
187.11043	2.1
187.14813	11.7
189.12712	2.9
189.16386	11.0
191.14330	2.1
191.17986	3.4
193.15874	7.4
199.14835	1.9
200.19980	1.4
201.16451	3.0
203.14267	4.0
203.17937	2.1
207.17458	3.2
211.14847	1.6
213.16396	2.9
215.14351	8.9
215.17865	3.4
217.15874	4.2
219.07791	1.2
219.17410	1.7
225.16408	1.7
231.17519	2.6
233.18988	4.1
235.16702	1.3
237.18359	1.3
239.17914	2.6
241.19336	1.7
247.20457	1.7
251.18111	1.4
253.19522	2.2
255.21199	1.7
257.22552	1.6
259.20627	2.0
265.19553	3.0
283.20581	2.5
288.89407	1.4
299.23801	1.8
313.25235	1.8
358.92264	1.3
377.31952	2.0
403.33658	8.6
421.34674	100.0
422.35034	3.2
439.35776	54.1
440.36163	1.6
457.36179	37.3
457.44345	3.3
477.62296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.59515	1.7
55.05513	4.7
57.07078	3.5
67.05511	10.7
69.07071	15.2
69.92332	9.6
74.27863	1.6
79.05502	6.8
81.07060	23.5
83.04957	1.8
83.08623	4.1
91.05495	5.4
93.07050	17.5
95.04995	4.4
95.08608	44.8
98.20854	2.1
105.07030	17.3
105.07569	1.7
107.08592	29.5
109.06557	3.4
109.10166	31.1
109.68528	1.8
111.08084	2.8
111.11748	3.3
117.07053	2.2
119.08579	33.1
121.06524	2.8
121.10154	55.8
121.11019	3.2
123.08101	4.6
123.11694	11.9
131.08598	5.7
133.10133	26.8
133.11046	2.0
135.08089	4.1
135.11702	16.8
137.09650	5.3
137.13298	5.8
143.08617	5.3
145.09190	1.9
145.10126	10.1
147.11696	11.3
149.09586	2.4
149.13264	20.1
151.11292	1.6
151.14885	2.0
157.10144	3.0
158.99945	2.0
159.11751	8.5
161.09656	3.4
161.13268	12.5
163.14874	4.9
165.09105	2.4
165.16376	1.6
171.11765	5.1
173.13269	8.1
175.11232	2.9
175.14830	34.3
177.16441	4.6
178.78903	1.8
185.13303	3.5
187.14787	9.0
189.16418	13.2
191.17955	9.0
193.15874	37.7
197.13396	2.8
199.14827	2.4
200.20129	1.8
201.16443	6.2
203.14368	3.0
203.18007	5.4
205.15892	2.5
205.19533	2.9
207.17543	6.1
213.16374	2.1
215.14421	8.0
215.17993	5.0
217.15996	4.7
217.19696	3.1
219.17445	11.8
229.15944	2.1
231.17679	3.1
233.19038	4.0
235.16943	1.8
239.18025	3.9
241.19600	2.4
243.17549	2.1
243.21144	2.5
259.20660	2.8
265.19595	2.4
277.21771	2.3
283.20819	4.0
284.26752	2.3
393.35287	3.2
403.33539	8.9
409.34512	3.5
419.32190	1.9
421.34637	59.8
422.35037	4.0
427.35983	2.6
439.35742	89.0
440.36124	4.6
457.35956	100.0
458.36401	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	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.03940	3.9
55.05506	13.7
55.63026	1.8
57.07079	5.6
65.03945	3.4
67.05499	20.0
69.07071	18.0
69.49111	7.7
69.49534	8.6
72.46101	1.8
79.05477	14.7
81.07063	47.6
81.57381	1.8
83.08633	7.8
91.05473	19.5
93.07042	43.5
93.07613	3.0
95.04987	4.5
95.08604	70.4
97.06558	5.8
97.10173	5.8
105.07026	47.1
106.73044	2.0
107.08596	70.8
109.06545	6.7
109.10155	44.2
111.08079	2.7
115.55028	1.9
117.07033	6.6
119.08576	52.9
121.10146	41.6
123.08090	4.3
123.11713	24.7
125.09645	2.1
128.06261	6.9
129.07050	7.6
131.08542	21.6
133.10136	40.0
133.11053	2.8
135.08116	2.4
135.11696	43.2
137.13306	7.5
142.07831	7.3
143.08539	19.4
145.10123	31.0
145.11115	2.6
147.11690	32.9
148.49443	2.4
149.09683	4.8
149.13271	19.9
151.11253	4.6
153.12779	3.2
155.08586	4.8
156.09349	3.0
157.10124	32.5
157.11290	3.1
159.11679	21.2
161.09705	5.5
161.13261	18.3
163.14812	15.3
169.10159	6.2
170.10944	2.2
171.11694	19.8
173.13264	14.2
175.11288	4.5
175.14839	14.2
177.12854	3.5
177.16444	8.7
179.14307	3.0
183.11728	3.3
184.12506	2.5
185.13257	12.2
187.14758	18.2
189.12729	2.5
189.16373	29.3
191.14360	2.7
191.17949	22.7
191.19363	2.3
196.12518	2.2
197.13303	7.3
198.14024	3.9
199.14818	51.0
199.16513	3.3
200.15298	2.2
201.16397	18.6
203.14366	3.3
203.17973	25.9
205.15948	3.6
205.19577	2.8
207.17426	23.5
211.14882	4.2
213.16373	32.6
213.18240	2.1
215.18056	8.4
217.15898	23.1
217.19617	8.3
219.17554	3.7
221.15395	2.3
221.19162	2.7
225.16414	4.0
227.17935	3.4
229.15990	4.7
229.19571	3.2
231.17447	18.8
239.18130	4.0
241.19685	6.0
243.21120	3.4
255.21210	2.6
259.20743	4.4
267.21155	7.2
281.22763	3.8
285.22083	4.3
403.33783	8.3
421.34763	37.0
439.36279	12.0
457.36920	100.0
458.37338	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	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03953	1.0
54.08254	0.6
55.05512	4.0
57.07072	3.4
67.05499	5.7
69.03419	0.6
69.07070	13.0
71.08617	0.8
71.38773	1.2
79.05490	3.4
81.07058	16.0
83.08624	4.0
91.05474	3.8
93.07040	7.5
95.04953	0.7
95.08607	30.2
97.06528	1.1
97.10158	2.9
97.10713	0.8
101.91518	0.5
105.07039	6.8
105.25864	0.6
107.08589	13.5
107.95860	0.7
109.06516	1.0
109.10163	16.6
111.08057	0.9
111.11710	2.8
117.07026	1.1
119.08580	11.2
121.04854	0.6
121.06501	1.5
121.10139	13.1
123.08023	1.3
123.11710	7.1
131.08548	2.8
133.06467	0.8
133.10132	11.0
135.08043	2.1
135.11671	7.0
137.13245	13.1
139.07539	2.2
143.08582	1.2
145.10132	5.0
147.08043	0.9
147.11688	6.9
149.09592	1.3
149.13272	4.5
151.07532	1.7
151.11223	1.2
151.14816	2.7
153.09137	2.5
157.10106	1.8
159.11714	5.0
161.09637	1.2
161.13257	5.1
163.07552	0.9
163.11172	0.7
163.14809	2.6
165.09094	3.4
171.11690	2.0
173.09636	0.8
173.13272	4.3
175.11140	0.8
175.14828	12.8
177.09192	1.5
177.12819	0.7
177.16302	4.0
179.10661	2.9
185.13339	1.9
187.14854	2.6
189.12889	0.9
189.16396	3.9
191.10646	1.2
191.18060	3.5
193.12285	2.7
199.14862	1.5
200.20161	0.8
201.16417	2.0
203.10689	1.6
203.14323	1.8
203.17953	5.3
205.12431	0.9
205.15950	0.8
205.19539	1.9
207.13747	1.5
207.17450	1.5
213.16345	1.1
215.17998	2.6
217.15977	1.5
217.19498	1.8
219.13773	1.6
219.21066	0.9
221.15408	4.0
229.19426	3.1
231.17430	2.2
231.20998	1.0
233.15398	0.9
233.18819	0.8
235.16847	1.4
241.19431	1.4
243.17506	0.9
243.21088	14.0
245.15332	1.0
245.22635	1.3
247.16895	1.0
247.20686	1.2
249.18561	3.1
255.21268	1.7
257.22592	0.8
269.22610	1.8
275.20059	1.9
283.20529	1.2
283.23856	0.9
283.26721	0.9
284.26578	1.6
287.20007	1.1
289.21683	1.9
301.21719	3.9
303.23141	1.8
315.23288	1.0
329.24796	1.1
393.35059	3.8
403.33395	1.2
404.56137	0.7
411.36218	25.5
421.34692	5.1
439.35730	100.0
440.35983	3.8
457.36554	18.4
457.44370	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05498	15.5
57.07069	4.1
64.81004	3.8
67.05511	19.9
69.07072	22.4
70.93951	7.7
70.94315	5.6
79.05486	14.7
81.07061	50.2
83.08600	12.9
91.05498	12.4
93.07043	40.3
95.08041	6.6
95.08611	99.4
96.08972	3.8
97.06517	4.4
99.08084	4.8
105.07018	24.1
107.08601	71.9
109.06504	4.3
109.10172	42.8
111.08055	4.3
119.08597	38.2
121.10153	57.4
123.08000	4.9
123.11678	22.1
131.08522	4.5
133.10133	31.7
135.11702	38.2
137.13228	7.0
139.11147	4.6
145.10110	10.7
147.11661	23.4
149.13261	17.1
159.11670	9.8
161.13255	21.3
163.14842	41.6
166.26042	4.1
173.13264	10.0
175.14786	17.6
177.16403	12.9
179.14320	7.0
187.14807	12.4
189.16374	31.2
191.17970	29.9
201.16402	12.8
203.17967	32.2
205.15921	3.5
205.19508	11.3
207.17439	13.7
217.19446	6.5
219.17580	4.2
221.18976	4.6
229.19511	4.8
231.17349	4.3
231.21025	10.5
249.18527	7.5
251.20087	4.8
297.25665	6.4
301.65857	4.0
315.26706	5.8
327.83051	4.1
393.35233	7.1
411.31287	6.5
411.36270	100.0
421.34766	6.5
427.35391	5.4
439.36420	20.2
457.37308	45.1
457.43472	6.5
459.92056	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.1
67.05487	14.3
69.07063	14.5
71.05001	5.6
79.05490	19.6
81.03379	3.3
81.07061	34.3
83.04964	3.4
83.08601	5.6
85.02912	7.8
88.55270	3.2
91.05482	13.0
93.07018	28.7
95.04942	3.0
95.08602	68.0
96.08897	3.1
97.10187	5.2
99.08108	2.9
103.27402	2.5
103.80707	3.2
105.07037	19.3
107.08588	53.1
109.06540	5.8
109.10158	33.4
111.08109	4.0
119.08586	30.5
121.06480	5.1
121.10155	35.5
123.11695	11.5
125.09653	3.2
131.08536	7.6
133.10121	19.5
135.08060	4.2
135.11668	22.7
137.09683	3.3
145.10117	7.3
147.11673	18.6
149.13277	18.7
155.88980	3.1
157.10121	4.0
159.11682	7.0
161.09669	3.4
161.13269	14.9
163.14819	35.1
164.07104	3.8
165.09105	14.8
171.11769	3.1
173.13216	6.9
175.14822	12.8
177.09171	4.4
177.16333	12.0
179.14328	5.9
182.19609	2.8
187.14803	7.0
189.16377	25.6
191.14331	3.2
191.17921	21.0
201.16301	5.0
203.17928	30.6
205.12315	3.4
205.19550	6.1
207.17422	10.4
215.17874	2.9
221.18887	3.4
231.21071	7.5
233.19052	3.7
278.13852	6.2
297.25693	9.3
315.26901	6.2
393.35391	4.9
411.36285	100.0
439.35822	7.4
457.33368	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	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05510	4.0
55.05978	0.8
55.76192	0.8
57.07072	1.9
57.44064	0.7
64.10449	0.8
65.03948	0.9
67.05507	5.7
69.07058	5.2
69.50477	3.6
69.50904	2.7
76.02863	0.7
77.15837	0.8
79.05492	3.9
81.07063	13.4
83.05004	3.9
83.08633	2.4
85.49583	0.7
91.05477	4.4
93.07047	9.1
94.17449	0.8
95.04996	1.8
95.08607	17.8
97.06538	2.0
97.10191	1.4
105.07033	12.4
107.08603	18.0
107.09286	1.5
109.06564	1.7
109.10155	11.7
110.64562	0.9
111.08071	2.0
115.73605	0.8
117.07057	1.1
119.08595	12.1
121.06546	1.7
121.10143	13.1
123.08116	2.3
123.11691	5.5
123.52332	0.8
125.09689	1.7
131.08614	3.8
133.10144	11.2
135.08060	2.2
135.11705	10.2
137.09590	1.4
137.13361	1.9
139.11263	1.3
143.08557	1.8
145.10109	6.0
147.08072	1.9
147.11700	7.5
149.09659	3.3
149.13292	4.3
157.10219	2.6
159.11678	4.5
161.09660	2.4
161.13254	4.8
163.11111	1.5
163.14879	3.5
171.11728	2.5
173.13213	4.2
175.11194	1.1
175.14848	9.2
175.75571	0.8
177.16356	6.8
179.10817	0.8
179.14275	1.1
181.57039	0.9
185.13313	3.2
187.14857	4.1
189.12675	1.2
189.16417	7.2
191.10600	0.9
191.14444	1.6
191.17912	4.4
192.06616	0.8
199.14966	2.0
201.16521	2.4
203.14384	2.2
203.17960	4.8
205.15964	1.7
206.19356	0.9
207.17490	1.8
213.16559	2.7
215.14493	1.0
215.18042	2.2
217.12131	0.9
217.15939	1.9
217.19603	1.2
219.17424	0.9
221.15437	0.9
221.19113	2.7
225.16402	1.1
227.18074	1.4
229.19673	1.9
231.17505	2.7
235.16969	2.0
249.18459	3.9
271.20792	0.8
273.22473	1.2
285.22058	1.7
303.23199	1.5
411.32611	1.1
421.35297	1.4
427.35825	1.1
439.27063	1.0
439.36737	5.7
457.37006	100.0
458.37585	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.60519	0.5
53.78709	0.5
55.05508	3.1
57.07067	1.5
59.04991	0.6
67.05505	6.6
69.03405	1.1
69.07068	4.2
70.85493	1.6
71.05004	0.7
79.05501	4.0
81.07056	12.4
83.04987	2.9
83.08620	2.6
85.06522	0.7
91.01965	0.5
91.05489	4.7
93.07047	11.5
95.04964	1.4
95.08608	21.6
97.06491	0.8
97.10169	1.7
105.07031	11.3
107.08595	17.2
109.06536	1.1
109.09439	0.9
109.10153	11.8
109.51867	0.5
111.08067	1.4
117.06985	1.2
119.08580	15.5
121.06504	1.3
121.10139	15.5
121.11014	0.8
123.08077	1.4
123.11717	4.9
125.09594	2.9
129.07008	1.0
131.08557	3.5
133.10120	12.4
135.08066	3.0
135.11681	12.8
137.09540	1.3
137.13252	1.7
139.07562	1.3
139.11183	0.8
143.08572	2.2
144.09286	0.7
145.10110	4.8
147.08086	1.0
147.11674	8.3
149.09601	3.5
149.13243	4.9
151.11147	1.3
153.09065	0.6
157.10141	3.3
159.08002	0.8
159.11703	4.7
159.51483	0.6
161.09671	2.8
161.13263	5.3
163.11165	1.4
163.14844	3.6
167.10699	0.7
169.10081	1.2
171.11655	2.6
173.09644	1.0
173.13226	4.1
175.11292	2.5
175.14841	8.1
177.12743	0.9
177.16379	4.7
179.14351	0.8
183.11720	1.4
185.13228	3.2
186.76302	0.6
187.11110	0.9
187.14818	4.6
189.12720	1.7
189.16380	9.8
190.59065	0.6
191.14325	0.8
191.17923	2.4
193.15881	0.7
194.72993	0.6
197.13330	1.2
199.14809	3.1
201.12682	0.9
201.16406	2.5
203.14322	4.1
203.17969	5.2
205.15852	1.0
205.69574	0.5
207.17458	2.1
211.14790	0.8
213.16359	2.0
215.17918	1.5
217.15857	2.3
219.17384	0.6
221.15305	0.8
221.19022	1.3
223.14790	0.8
225.16365	1.2
227.17905	1.5
229.15761	0.8
229.19511	1.2
231.17468	1.5
235.16927	4.4
241.19533	0.9
243.17375	0.8
249.18472	1.4
259.20709	0.6
267.21005	1.4
269.22809	0.6
271.12369	0.6
273.22104	0.6
285.22067	1.7
289.17789	1.0
303.23199	1.3
393.31458	2.0
397.30966	0.8
403.33231	0.6
411.32648	1.3
421.30655	1.3
429.02808	0.7
439.31308	10.6
457.37173	100.0
458.37631	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89780	1.3
53.03947	1.6
55.01870	3.1
55.89476	1.4
67.05518	2.5
69.03432	17.8
69.07072	13.7
69.53268	11.2
71.04982	1.5
79.05489	4.8
81.03421	3.5
81.07051	7.2
83.04971	4.2
85.02906	10.1
85.06547	1.6
87.00828	3.5
91.05487	6.4
93.07050	12.5
95.08611	8.5
97.02876	4.7
97.03510	1.2
97.06516	3.4
99.04424	2.5
105.01881	3.2
105.07029	6.5
107.08601	15.4
109.02878	6.0
109.06532	4.5
109.10168	4.4
111.08087	1.5
117.07037	1.4
119.08574	8.6
121.06495	6.6
121.10151	12.9
123.08124	3.4
123.11726	3.1
125.09593	6.9
127.03913	6.4
131.08569	6.9
133.10121	8.7
135.08025	10.6
135.11674	4.6
137.09607	2.2
145.05008	1.7
145.10121	4.6
147.11688	22.7
149.09608	7.2
149.13295	7.0
151.07556	2.9
153.08990	2.0
158.10910	3.0
159.02875	2.0
161.09637	3.0
163.11243	1.8
163.14835	2.3
165.09085	9.4
165.12801	3.3
173.13271	13.5
176.11977	1.8
191.07156	1.7
191.14308	100.0
203.10611	1.6
205.12341	1.8
209.15344	38.5
210.15680	1.7
241.95053	1.5
258.23315	1.5
309.81430	1.2
371.16785	2.0
374.57556	1.4
385.98083	1.6
413.17694	11.3
414.07773	1.3
457.16510	22.4
457.22720	2.2
457.33585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	3.8
55.05503	3.7
57.07064	2.1
67.05509	4.0
69.03419	20.3
69.07072	9.9
69.52837	13.0
79.05474	4.8
81.03411	4.2
81.07042	7.5
83.04974	4.4
85.02917	11.2
85.06502	2.2
87.00826	4.3
90.28526	1.8
91.05460	5.0
93.07043	12.2
95.04982	2.2
95.08592	11.1
97.02893	4.1
97.06523	3.8
105.01869	1.8
105.07014	6.1
107.08594	14.1
108.82347	1.8
109.02891	2.7
109.06544	3.8
109.10128	3.9
111.08036	2.0
119.08564	7.8
121.06525	9.3
121.10141	13.7
123.08060	5.4
123.11696	2.3
125.09610	4.9
127.03898	5.6
131.08556	5.1
133.10181	8.7
135.08058	13.1
135.11650	5.7
137.09682	1.9
145.04982	2.6
145.10077	4.3
147.11673	25.7
149.09590	7.9
149.13251	7.5
151.07553	3.3
151.11153	1.7
158.10938	1.7
159.11696	2.3
161.09566	4.9
161.13243	2.0
163.11221	3.4
163.14806	2.3
165.09071	9.4
165.12761	2.6
171.60556	1.9
173.13290	16.5
177.09103	2.2
191.14305	100.0
209.15369	36.4
410.69269	1.9
413.17551	10.0
457.16614	20.4
457.23056	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01860	2.4
55.05500	1.6
58.67562	0.7
59.93090	0.6
61.02909	0.8
67.05499	2.0
69.03072	1.0
69.03428	13.6
69.07050	2.4
69.43143	2.6
69.43575	3.0
71.04965	1.4
73.02915	1.2
79.05479	1.9
79.52992	0.7
81.03418	12.3
81.07051	4.6
83.04974	2.7
85.02423	0.9
85.02909	16.1
87.00834	7.0
91.05446	1.5
93.07034	2.1
95.04993	3.5
95.08614	4.4
97.02894	4.7
99.04499	3.5
99.08088	1.2
105.01863	5.0
105.07021	3.4
107.08609	7.0
109.02882	7.1
109.06505	5.8
109.10143	2.8
117.01806	1.2
117.07035	0.7
119.08575	2.4
121.01845	0.7
121.06540	1.4
121.10152	13.0
122.07288	2.2
122.15491	0.7
123.08072	3.5
123.11721	3.0
127.03915	10.2
129.01828	0.7
131.08548	1.4
133.10135	3.4
135.08066	2.4
135.11691	1.1
137.09618	19.0
137.13301	1.1
145.04942	3.2
147.11676	1.6
149.09645	6.8
149.13240	6.8
151.11185	21.8
153.09062	0.8
159.02914	4.0
163.14859	0.9
165.12756	42.0
173.13371	1.6
178.69287	0.7
191.14314	7.1
193.15880	3.0
209.15366	100.0
210.15703	1.0
231.05026	0.9
352.70029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19646	1.6
61.55909	1.5
65.45665	1.4
67.05505	2.1
69.03416	4.7
69.07080	3.9
69.52579	5.9
69.53003	7.0
79.05494	5.8
81.07036	5.6
83.04977	2.1
85.02879	3.4
91.05482	6.3
93.07037	3.1
94.54521	1.7
105.01871	1.7
105.07028	6.0
107.04965	2.6
107.08596	19.4
109.10143	6.7
117.07064	2.3
121.10148	9.1
122.07281	5.2
126.67347	2.0
127.03864	2.8
131.08572	2.7
133.10130	100.0
135.08063	7.3
137.07971	2.0
137.09618	48.2
145.10124	1.8
149.13261	7.8
165.09073	2.0
165.12741	1.8
173.13280	7.1
187.46648	1.7
191.14305	49.1
209.15337	5.5
217.19214	1.7
225.60251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43131	2.6
55.05500	3.1
57.07048	2.5
67.05508	7.4
69.03419	8.3
69.07066	4.1
69.95250	6.6
69.95655	7.0
79.05485	7.3
81.07050	9.7
83.04979	5.2
85.02908	7.9
91.05489	6.9
93.07040	7.5
95.08613	11.6
98.20795	4.3
105.07027	9.7
107.04952	4.7
107.08586	29.4
109.06518	5.8
109.10152	10.3
119.08583	5.9
120.08967	3.2
121.10188	23.4
122.07316	5.4
123.11662	3.1
125.09654	3.9
127.03892	3.5
131.08559	7.4
131.30240	2.9
133.10127	100.0
134.10587	3.4
135.08046	8.4
135.11665	3.7
137.09610	59.0
145.10124	3.5
147.11668	4.9
149.09567	5.4
149.13275	13.5
151.07587	3.4
151.11188	23.6
163.14807	6.5
173.13251	10.7
191.14299	71.2
192.18341	3.3
209.15392	22.3
242.28310	2.4
268.12631	2.9
292.33585	2.7
371.13916	4.8
389.14941	3.6
457.14575	11.9
457.20056	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68295	0.5
56.32359	0.6
57.03425	0.6
70.65794	1.1
72.08147	0.9
73.02898	0.6
77.45422	0.6
79.05508	0.8
85.02896	1.8
86.09715	0.6
88.15099	0.6
91.05482	1.0
93.07066	0.9
95.04955	2.1
97.02910	0.7
98.97572	0.9
99.04440	1.0
107.04726	0.8
109.06535	0.5
113.49895	0.7
126.09135	1.2
127.11186	0.7
142.08675	0.8
145.12204	1.8
146.12613	0.9
149.09669	0.9
179.85413	0.6
207.10065	0.7
209.11496	4.3
209.15294	1.4
228.27286	0.6
237.11050	2.7
279.67078	0.7
281.11520	0.9
345.77914	0.6
353.15692	1.6
371.16785	16.1
413.17816	40.7
414.18274	1.0
457.16779	100.0
458.17154	2.3
472.29492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01867	3.8
55.05503	3.7
57.07064	2.1
67.05509	4.0
69.03419	20.3
69.07072	9.9
69.52837	13.0
79.05474	4.8
81.03411	4.2
81.07042	7.5
83.04974	4.4
85.02917	11.2
85.06502	2.2
87.00826	4.3
90.28526	1.8
91.05460	5.0
93.07043	12.2
95.04982	2.2
95.08592	11.1
97.02893	4.1
97.06523	3.8
105.01869	1.8
105.07014	6.1
107.08594	14.1
108.82347	1.8
109.02891	2.7
109.06544	3.8
109.10128	3.9
111.08036	2.0
119.08564	7.8
121.06525	9.3
121.10141	13.7
123.08060	5.4
123.11696	2.3
125.09610	4.9
127.03898	5.6
131.08556	5.1
133.10181	8.7
135.08058	13.1
135.11650	5.7
137.09682	1.9
145.04982	2.6
145.10077	4.3
147.11673	25.7
149.09590	7.9
149.13251	7.5
151.07553	3.3
151.11153	1.7
158.10938	1.7
159.11696	2.3
161.09566	4.9
161.13243	2.0
163.11221	3.4
163.14806	2.3
165.09071	9.4
165.12761	2.6
171.60556	1.9
173.13290	16.5
177.09103	2.2
191.14305	100.0
209.15369	36.4
410.69269	1.9
413.17551	10.0
457.16614	20.4
457.23056	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	456.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01875	7.4
57.03434	17.9
57.04599	1.2
58.52533	1.3
59.04983	1.2
61.02928	14.0
69.03430	32.5
69.49994	10.5
71.01353	3.0
71.04983	2.7
73.02918	65.0
78.78856	1.3
81.03428	6.5
81.07032	3.3
83.08595	2.1
85.02904	100.0
87.04461	4.1
91.03941	4.9
91.05422	1.7
93.07027	2.5
94.70604	1.3
95.08596	4.3
97.02893	55.2
99.04462	4.9
99.27954	1.4
103.03951	2.9
107.08574	4.0
109.02876	9.0
109.10188	2.0
115.03928	24.4
119.08562	3.1
121.10104	3.5
122.10481	1.9
127.03912	30.3
133.03986	2.4
133.04961	37.3
133.10106	2.3
135.11702	3.3
145.04961	47.3
145.10176	2.2
146.10426	1.5
147.11612	1.9
149.13278	1.6
150.07649	2.2
159.11673	1.5
163.06041	19.7
189.16354	1.9
190.16637	1.7
191.17967	3.0
193.78499	1.5
199.06055	1.8
202.16682	1.8
203.17885	2.0
222.35085	1.5
223.05984	4.6
241.07045	6.0
259.08145	5.8
410.35004	2.0
456.35495	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66141	4.8
55.94553	4.6
56.96313	5.1
56.96563	26.0
69.03441	4.6
69.60761	4.3
69.61078	37.4
84.96018	11.7
85.02905	13.8
92.91128	4.3
98.97581	44.8
105.07011	5.4
107.04968	16.1
110.97572	14.3
114.90522	4.8
116.98624	17.6
121.02876	19.4
124.43080	5.7
124.99142	7.0
128.98627	15.1
131.64497	5.0
143.00163	11.7
146.99652	5.4
158.99644	14.4
161.01251	17.0
163.03906	25.6
170.99628	11.4
177.00732	14.5
189.00717	11.3
192.98073	4.8
201.00803	9.1
219.01849	21.7
237.02815	31.2
259.62390	5.4
302.11591	4.8
325.05966	22.1
333.04852	7.2
351.06061	11.4
457.12173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05515	14.8
57.03455	3.2
57.07079	3.8
57.68752	2.7
61.38187	3.3
67.05499	19.1
69.07065	22.8
70.85545	7.1
79.05486	11.6
81.07049	52.5
83.08623	14.3
91.05478	12.9
93.07043	42.4
95.08035	5.7
95.08604	71.8
97.10128	5.3
99.08096	10.4
105.07026	48.5
107.08588	67.0
109.06524	10.4
109.10149	42.7
111.11748	3.3
117.07007	6.8
119.08578	75.8
121.10150	50.0
123.08087	3.9
123.11713	14.5
129.06987	6.1
131.08582	30.9
133.09215	5.5
133.10130	58.5
133.11073	5.8
135.11687	44.5
137.12062	2.6
137.13231	11.3
143.08572	4.9
145.10118	54.6
147.11687	51.8
149.13211	23.7
157.10124	11.7
159.11682	36.6
161.13275	28.5
163.14815	31.6
171.11662	7.9
172.12311	3.8
173.13281	25.1
175.14792	23.1
177.16409	11.4
179.14299	7.8
183.11620	4.5
185.13266	12.5
187.14819	60.1
187.16382	4.0
189.16374	36.2
191.17944	90.7
199.14789	9.5
201.16379	100.0
203.14479	3.4
203.17964	40.5
207.17445	6.2
213.16405	7.1
215.17917	6.9
217.19539	9.4
219.17418	14.8
221.19023	4.4
227.17987	5.5
229.15794	5.2
229.19579	14.9
231.21078	10.5
243.21107	4.8
247.16869	16.5
255.20995	3.8
261.18311	4.6
267.21054	4.0
267.64145	3.3
355.00269	3.2
391.33722	7.1
393.34570	4.4
409.34689	54.8
411.36288	6.0
437.34293	33.8
455.35443	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05499	16.6
57.07072	6.5
60.26187	3.8
67.05502	24.7
69.07063	29.3
70.82482	9.4
79.05500	22.1
81.07056	62.8
83.08607	13.1
88.16215	3.9
91.05470	29.4
93.07050	60.3
95.08037	6.6
95.08608	96.2
97.10184	5.4
105.07033	42.5
107.07854	5.0
107.08595	100.0
108.89689	3.4
109.10162	57.2
111.08098	6.1
117.07004	12.0
119.08578	96.7
121.10149	64.2
123.08089	5.7
123.11700	20.7
125.09610	4.6
129.56700	3.6
131.08582	28.4
133.10136	76.5
135.11693	49.4
137.13281	8.9
143.08562	9.0
145.10120	46.3
147.11679	55.3
149.13271	23.0
153.09038	7.7
157.10152	15.0
159.11673	43.6
161.13263	37.1
163.07573	6.5
163.14825	38.9
165.12782	7.7
169.10204	5.1
171.11650	16.7
173.09485	3.6
173.13266	37.5
175.14850	31.2
177.09088	8.5
177.16417	13.1
179.14310	15.2
183.11618	5.8
185.13237	14.4
187.11145	4.2
187.14825	32.9
189.16368	83.9
191.17966	30.9
197.13239	4.0
199.14795	9.0
201.16386	55.5
203.17963	63.5
205.19514	5.0
207.17482	13.6
213.16388	12.4
215.17981	24.1
217.19525	9.3
219.17337	7.3
221.18999	11.2
225.16396	6.2
227.17976	4.5
229.15961	6.0
229.19501	33.5
231.21194	3.8
233.15408	6.8
235.16907	10.5
241.19525	11.5
243.21043	19.7
247.16873	37.0
253.19659	5.2
255.21080	12.9
259.17096	3.7
259.20813	4.1
261.18579	10.7
269.22568	7.3
275.19998	9.9
287.20117	9.6
289.21567	7.8
301.21619	7.5
315.23206	8.5
341.24637	6.5
391.33728	18.2
400.31720	5.0
409.34894	43.0
437.34387	66.2
438.74396	3.8
455.35956	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.59869	3.7
55.05517	10.5
55.48104	3.6
67.05516	23.6
69.07073	33.6
69.64526	8.5
69.64935	19.7
76.60026	3.7
79.05487	19.7
81.06631	5.6
81.07057	55.4
83.08608	6.3
91.05455	16.6
93.07059	46.2
95.08604	100.0
97.10174	7.4
105.07033	49.3
107.08596	81.5
108.61092	5.8
109.06505	7.0
109.10167	49.6
111.08082	52.4
119.08582	70.2
120.07563	4.2
121.10153	55.3
123.08081	4.3
123.11713	21.3
125.09627	5.6
129.07018	5.4
131.08562	22.0
133.10144	58.2
135.11703	41.4
137.13263	5.4
139.07578	3.9
139.11188	6.8
143.08495	10.8
145.10127	34.7
147.11710	48.8
149.13242	40.5
157.10126	5.8
159.11696	27.2
161.13232	29.5
163.07590	11.7
163.14833	17.9
171.11697	11.2
173.13324	22.7
175.14828	23.9
177.09190	10.3
177.16357	29.1
185.13348	5.0
187.14836	26.3
189.16397	75.9
191.17940	27.1
199.14830	7.9
201.16388	37.0
203.14357	4.5
203.17967	50.3
205.15895	9.4
205.19528	5.4
207.17480	12.4
213.16341	14.9
215.17952	28.4
217.19408	5.7
219.17389	10.1
221.19035	6.1
227.17905	4.8
229.19597	10.6
233.15350	9.2
235.16855	6.9
241.19626	5.1
243.21111	7.7
247.16975	21.3
253.19435	4.5
255.21025	6.4
261.18640	6.0
269.22620	4.8
301.21500	7.6
315.23004	6.0
367.26611	5.1
391.33450	13.5
397.31100	7.5
409.34665	46.9
413.29718	3.9
425.34097	9.4
430.06845	4.8
437.34369	32.0
455.29977	5.6
455.35410	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61526	2.2
53.03943	2.6
55.05505	10.3
57.07071	5.4
64.80164	2.4
67.05494	12.7
69.07063	15.9
70.79841	7.4
71.05009	2.5
74.38500	2.3
79.05489	13.7
81.07047	24.8
83.08614	6.0
91.05455	16.8
92.12479	2.4
93.07047	39.0
95.08606	52.7
97.10157	3.5
99.07554	2.6
99.08084	16.3
105.07027	39.8
107.08598	54.2
109.10151	27.5
117.07056	4.9
119.08576	62.8
121.10136	38.0
123.11707	12.3
131.08571	35.2
133.10123	52.2
135.11694	26.6
137.13274	4.1
143.08534	4.7
145.10115	42.2
147.11667	47.9
149.13263	11.1
150.10168	3.0
157.10095	13.1
159.11707	35.9
161.13240	24.0
163.14838	16.4
171.11632	2.6
172.12448	2.8
173.13257	19.7
175.14827	13.6
177.16377	7.6
187.14824	34.3
189.16368	20.3
191.17941	100.0
199.14804	4.4
201.16386	98.1
203.17924	22.5
205.15909	3.5
205.19504	2.9
209.31766	2.3
211.14804	3.4
215.17987	3.8
217.19521	10.9
219.17418	14.9
229.19467	6.7
231.21217	4.5
247.16940	3.7
269.22659	3.1
337.28854	3.9
391.33487	6.3
409.34683	33.4
437.34109	11.1
455.35321	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05507	7.1
57.07067	4.1
59.78791	2.3
64.06350	1.9
67.05519	11.3
69.07067	13.4
69.97120	3.3
69.97530	7.0
79.05505	9.7
79.91458	1.9
81.07059	25.3
83.08607	5.9
91.05470	16.3
93.07040	24.7
95.08606	44.7
97.10168	2.3
99.08093	15.0
103.05428	2.1
105.07027	37.9
107.08597	44.7
109.10157	24.9
115.29789	2.1
117.07041	4.7
118.58852	1.8
119.08584	53.5
121.10141	34.5
123.11699	8.4
129.07034	2.3
131.08562	35.9
133.10138	56.6
135.11690	27.0
137.13242	6.3
143.08615	4.6
145.10114	40.5
147.11687	53.5
149.13257	15.5
157.10141	9.0
159.11684	31.6
161.13255	16.2
163.14815	7.8
171.11652	5.0
172.12485	3.1
173.13255	15.9
175.14822	11.3
177.16386	5.7
179.14272	3.0
183.11551	2.3
185.13228	4.3
187.14822	27.9
189.16422	24.4
191.17946	100.0
199.14861	3.3
201.16388	89.4
203.17964	25.4
205.19579	2.8
211.14804	3.5
213.16461	4.1
215.17993	7.3
217.19609	12.0
219.17416	13.2
227.17879	3.6
229.15836	2.5
229.19490	3.5
231.21066	4.4
247.17003	2.2
375.73550	2.0
391.33768	4.8
409.34683	35.5
437.34106	13.2
455.35434	25.6
468.94821	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05496	9.9
58.70059	4.0
62.37784	3.0
67.05515	19.8
69.07072	21.4
69.64043	22.9
72.59695	3.4
79.05483	13.3
81.07059	39.2
83.08605	13.1
86.81358	3.4
91.05459	12.7
93.07039	39.5
95.08044	4.7
95.08610	70.4
97.10193	3.4
99.08102	19.1
105.07034	43.1
107.08593	73.5
109.06493	10.1
109.10155	36.2
117.06987	6.2
119.08583	76.5
121.10150	52.7
123.11729	16.6
131.08557	34.2
133.10123	52.6
135.11694	43.8
137.13255	7.5
145.10118	43.6
147.11690	51.7
149.13264	19.7
150.56686	2.8
152.84502	3.1
157.10110	7.8
159.11674	40.0
161.13260	24.8
163.14822	19.4
171.11722	3.8
173.13286	21.0
175.14790	18.3
177.16469	7.9
179.14258	7.8
185.13255	8.5
187.14832	40.4
189.16354	33.6
191.17944	98.6
193.33252	3.1
199.14854	7.3
201.14540	6.0
201.16389	100.0
203.17967	35.9
213.16373	7.5
215.17932	9.8
217.19466	11.5
219.17415	13.7
229.19510	7.0
231.20949	6.7
243.21118	3.6
247.16960	9.2
253.19444	3.6
298.28735	3.9
315.26932	3.6
391.33499	11.5
409.29694	3.1
409.34686	50.9
410.35358	3.8
411.36154	5.4
437.34131	18.9
455.29947	3.6
455.35333	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	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05494	17.4
57.07078	6.4
60.60179	4.2
67.05502	24.8
69.07060	28.1
76.93072	3.9
79.03827	4.3
79.05484	20.0
81.07054	49.1
83.04947	4.3
83.08604	14.6
83.78352	4.0
87.26124	4.3
91.05499	24.7
93.07056	58.5
95.08611	89.3
97.10179	7.7
105.07027	47.6
107.08597	100.0
109.10147	53.2
111.08045	6.1
111.37801	3.9
114.24426	4.3
117.07073	8.2
119.07781	6.8
119.08579	87.3
121.10154	59.8
123.08051	5.5
123.11700	24.2
125.09681	5.5
131.08577	25.8
133.10138	69.6
135.11703	45.2
137.13260	9.1
143.08565	7.9
145.10127	40.2
147.11693	60.3
149.13278	26.5
151.11095	5.3
153.09134	7.3
157.10110	14.0
159.11685	40.5
161.13255	40.1
163.14786	33.4
164.15167	4.2
165.12772	8.0
167.10730	4.4
171.11699	14.3
173.13255	25.5
175.14851	25.5
177.09135	8.6
177.16376	15.0
179.14310	17.9
185.13379	6.5
187.14780	27.0
189.16385	83.7
191.17940	15.1
193.15831	4.9
199.14876	11.7
201.16385	48.9
203.17976	55.0
205.19510	4.2
207.17413	9.9
213.16422	7.3
215.17996	19.6
216.82486	6.3
217.19534	9.2
219.17433	8.2
221.18959	9.2
227.17928	9.6
229.19481	25.4
231.21080	6.2
233.15425	5.2
235.16850	12.0
241.19540	9.1
243.21109	24.5
247.16922	35.4
255.21016	13.6
261.18591	6.5
269.22702	5.5
275.20148	10.2
275.73499	4.8
287.20047	4.9
289.21890	5.4
338.33032	4.4
371.91711	4.4
391.33533	11.2
409.34714	33.1
437.34241	48.0
455.35468	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05509	1.8
62.39889	1.2
67.05502	3.9
69.07065	4.9
69.55563	8.9
79.05476	5.7
79.65363	1.2
81.07062	12.3
83.08642	2.8
85.06528	2.2
87.12746	1.1
91.05478	3.9
93.07059	8.1
95.04976	2.5
95.08600	14.3
95.78761	1.2
97.06514	2.3
97.57035	1.2
99.08084	1.7
105.07032	13.5
107.08601	19.0
109.06544	1.9
109.10172	10.9
110.00580	1.5
111.08091	1.7
119.08585	26.5
119.25986	1.2
121.06521	3.1
121.10149	10.2
123.08083	2.0
123.11706	4.7
125.05984	8.2
125.08572	1.1
128.07523	1.2
131.08562	4.4
133.10150	20.1
134.15509	1.3
135.08044	3.1
135.11703	22.8
139.07535	4.1
143.08559	3.1
145.10107	13.9
147.11684	14.7
149.13258	3.9
151.11203	3.6
155.08669	1.8
157.10101	3.5
159.11699	5.3
161.09636	3.0
161.13274	3.5
163.14841	8.3
167.80730	1.2
169.10181	2.7
171.11679	2.9
171.15398	1.6
173.09598	7.3
173.13235	2.6
175.11194	8.2
177.09120	5.2
183.11739	1.5
185.13310	2.0
187.11157	11.8
187.14796	8.5
189.16388	51.7
191.10716	4.4
197.13304	5.8
201.12694	1.7
205.15912	5.5
205.19601	2.1
207.17447	99.1
211.14795	3.1
213.16479	3.1
215.14322	18.3
217.15878	1.9
229.15874	100.0
230.16269	2.7
231.17409	9.2
233.15373	32.4
243.17487	5.4
247.16946	26.8
257.19043	3.7
283.20511	6.3
419.33350	1.7
437.34192	32.1
455.35220	87.8
456.35364	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
55.05508	12.5
57.07079	4.7
67.05509	20.0
69.07064	28.0
69.55870	20.3
71.04988	15.0
79.05492	10.0
81.07054	47.2
83.08617	9.7
91.05482	12.6
93.07040	22.2
95.08610	96.7
97.10165	7.8
105.07034	25.9
107.08595	40.5
109.06528	4.9
109.10162	50.3
111.11727	10.3
113.06026	6.6
117.07011	3.2
119.08582	45.2
121.10143	59.9
123.08083	9.5
123.11700	25.2
131.07065	6.6
131.08598	11.1
133.10124	28.3
134.34276	2.5
135.08063	8.5
135.11699	19.4
137.09641	10.6
137.13258	17.7
143.08629	3.1
145.10152	15.6
147.11678	17.7
149.09618	3.4
149.13258	18.5
151.11247	4.4
153.08981	3.1
157.10094	5.8
159.11737	17.4
160.12517	2.4
161.09651	3.2
161.13252	15.8
163.14845	12.1
165.09091	4.2
165.12663	2.9
171.11731	10.5
173.13245	16.3
175.11180	3.2
175.14828	10.8
177.12846	3.4
177.16403	6.1
183.10184	17.9
183.11658	3.8
185.13261	5.4
187.14806	15.2
189.16386	8.7
191.14304	9.0
191.17941	13.8
197.13371	4.1
199.14896	6.8
201.16458	8.8
203.17966	8.3
205.19601	9.5
211.13275	4.8
213.16362	3.4
215.18008	11.4
217.19495	14.3
219.13803	3.5
219.21124	5.9
229.19664	12.8
231.21072	26.9
233.15340	3.7
237.14793	20.4
243.21062	3.7
245.22711	8.6
251.16563	3.3
255.21103	5.7
323.27484	5.3
325.28943	39.3
395.33237	5.5
419.33093	5.9
437.34167	57.6
455.35278	100.0
455.41452	5.6
456.35608	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	455.3519
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.11700	2.2
55.05513	16.5
57.07070	5.2
65.03947	3.0
67.05497	23.4
69.07069	18.7
69.45044	13.4
69.45454	3.8
75.60611	2.1
79.05496	22.9
81.07061	44.1
83.08617	10.2
89.23871	2.3
91.05481	21.3
91.05991	2.1
93.07041	46.1
95.01945	2.0
95.04975	5.6
95.08602	67.3
97.06551	2.4
97.10174	5.0
105.07030	29.2
107.08596	71.1
109.06521	3.3
109.10156	45.8
117.07015	7.0
119.08578	55.8
121.10137	54.3
123.08073	3.7
123.11709	17.1
125.09681	2.7
127.03944	2.1
129.07036	2.6
131.08569	17.2
133.10135	48.3
133.11053	3.9
135.08083	2.8
135.11691	48.4
135.12671	3.1
137.13287	9.7
139.07521	2.9
143.08598	7.2
145.10112	29.6
147.11697	34.5
147.12733	3.1
149.13239	21.7
149.14185	2.1
149.24402	2.0
153.09181	5.5
157.10146	14.2
159.11703	29.0
161.09579	2.3
161.13248	30.5
163.14816	42.9
163.16049	3.2
169.10135	2.6
171.11690	11.9
173.13269	21.8
175.14836	19.9
177.16470	6.5
179.10661	2.2
179.14386	4.7
181.12166	2.3
183.11725	7.0
185.13268	15.7
187.14799	23.0
187.16159	2.0
189.16377	16.6
191.18019	6.8
197.13252	4.3
199.14789	11.2
201.16309	14.5
203.17958	17.6
205.15939	4.3
207.13948	3.2
207.17520	4.3
211.14922	6.4
213.16457	8.6
215.17967	23.7
217.12421	2.4
217.19638	4.5
219.13901	2.5
221.15514	2.5
225.16479	3.9
227.18050	6.1
229.19518	17.9
231.21187	3.1
233.15544	3.6
239.17955	14.7
241.19518	10.8
243.21127	8.0
247.16975	3.8
253.19714	4.2
255.21127	14.0
257.22894	5.6
259.20749	3.0
261.18521	14.0
267.21255	7.9
269.12408	13.4
269.22668	11.3
270.12732	3.8
275.20242	3.8
281.22604	2.2
287.20151	6.0
289.21780	3.4
295.24304	3.8
299.20044	3.0
301.21692	9.7
313.21628	3.3
315.23328	8.4
335.26022	4.0
341.24716	2.5
367.26190	2.8
391.33563	19.2
409.29541	3.3
409.34738	44.8
419.33145	11.3
437.34280	91.6
438.34787	3.7
455.35437	100.0
456.35962	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05515	10.2
57.07072	5.7
63.21172	2.4
67.05514	18.2
68.43550	2.5
69.07067	13.1
69.56316	18.3
69.56718	5.1
79.05495	16.9
80.55396	2.6
81.07059	38.6
82.06388	2.7
83.08635	7.2
91.05471	14.8
92.56940	2.6
93.07049	35.8
95.04998	3.6
95.08608	60.5
97.10197	6.0
105.07030	26.8
107.08592	69.0
107.09269	4.2
109.10154	34.4
115.45463	2.5
117.07030	2.8
119.08582	46.1
121.10143	48.9
123.11697	22.4
129.06996	3.2
131.08606	14.8
133.10150	34.8
135.11705	51.6
137.13268	7.5
143.08534	4.2
145.10143	24.7
147.11708	29.8
148.13864	2.4
149.13266	19.5
149.24559	2.6
153.09143	5.5
157.10165	8.6
159.11707	26.4
161.13246	28.4
163.14818	48.1
169.10165	2.9
171.11739	10.3
173.13275	18.7
175.14821	21.6
177.16429	5.5
183.11752	3.5
185.13306	7.5
187.14766	14.7
189.16412	16.2
191.14326	3.7
191.18073	3.3
193.12209	3.2
199.14894	9.0
201.16354	13.1
203.17914	14.4
205.12357	4.0
207.13799	4.3
213.16402	6.3
215.17975	22.0
225.16515	3.8
226.17200	3.5
227.17999	9.0
229.19539	21.8
239.18002	9.3
241.19543	11.8
243.21086	7.1
247.16875	5.7
253.19598	5.5
255.20956	15.1
257.22775	4.5
259.20551	3.2
261.18677	8.9
267.21075	4.7
269.22696	7.0
275.20172	2.9
287.20166	7.8
289.21960	2.9
299.20303	2.9
301.21643	6.3
301.29050	2.7
313.21704	3.7
313.25378	2.7
315.23276	9.9
367.26318	3.1
391.33844	14.3
401.32394	2.8
409.34656	36.3
419.33337	3.6
437.29919	1.7
437.34201	88.0
455.35330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05510	16.7
67.05499	25.7
68.93665	3.9
69.07064	26.5
69.63412	28.8
74.77548	4.5
79.05482	19.6
81.07068	45.5
83.08615	15.4
84.90080	4.2
91.05467	22.8
93.07047	47.5
95.08613	98.6
97.10157	8.4
99.08080	11.9
105.07027	53.8
107.08592	72.3
109.06536	5.7
109.10160	47.1
111.11636	4.4
119.07774	7.5
119.08587	96.6
121.10157	50.6
123.08086	4.0
123.11740	21.1
130.07690	4.6
131.08571	29.2
133.10129	59.0
135.11713	37.2
137.13255	9.5
143.08545	6.8
144.09413	5.2
145.10124	61.6
147.11690	60.7
149.13258	21.1
157.10143	14.1
159.11702	34.2
161.13248	29.4
163.14807	31.0
171.11694	7.0
173.13252	27.0
175.14822	28.4
177.16371	15.2
179.14340	6.9
187.14799	66.3
189.16409	36.5
191.17949	100.0
191.19577	8.8
199.14871	11.0
201.16385	92.3
203.17969	43.1
205.19563	4.8
215.17976	17.8
217.15750	4.6
217.19527	16.0
219.17369	11.9
221.18974	5.4
227.18031	6.4
229.19528	17.1
231.21043	12.2
243.20894	5.0
247.16922	22.9
255.20998	4.6
259.16788	4.5
269.22638	4.5
387.24786	4.6
391.33792	21.3
409.30298	6.4
409.34735	67.6
411.36517	9.7
437.34366	30.9
455.35458	54.0
484.66113	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52391	1.9
55.05502	9.6
55.45409	1.8
57.07079	4.9
59.92445	2.0
67.05511	16.0
69.07072	14.6
69.44911	15.3
79.05492	13.7
81.07053	26.9
83.08620	6.7
85.06548	3.2
87.32703	2.1
91.05476	17.4
93.07041	29.8
95.08041	3.9
95.08611	52.5
97.10162	3.7
98.21500	4.2
99.08084	15.4
105.07034	38.2
107.08596	57.2
109.10170	26.6
109.16499	2.1
117.07007	4.1
119.07771	4.0
119.08595	57.7
121.10151	40.5
123.11710	10.9
131.08559	36.1
133.10130	54.3
135.11700	34.7
137.13295	5.3
143.08539	3.5
145.10120	38.1
147.11691	58.1
149.13271	16.5
157.10133	12.8
157.11285	2.2
159.11703	35.3
161.13274	21.1
163.14804	12.8
171.11662	4.6
173.13255	16.9
175.13342	2.9
175.14769	14.8
177.16408	6.1
179.14352	5.9
185.13257	3.7
187.14806	33.1
189.16377	24.8
191.17949	100.0
199.14772	3.5
201.14542	4.5
201.16391	86.9
203.17963	27.2
205.19469	4.2
213.16312	4.3
215.17960	7.6
217.15985	3.7
217.19553	13.0
219.17413	12.8
225.16356	2.1
227.17978	4.2
229.16006	2.5
229.19432	3.8
231.21013	5.2
241.19452	3.5
243.20961	4.5
247.16924	4.6
253.19621	2.9
269.22491	3.7
325.82465	2.5
337.29141	2.5
359.31079	2.1
391.33533	8.8
409.34702	31.7
419.32632	2.2
437.34213	13.1
455.35315	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05514	20.6
57.07070	4.9
67.05505	13.6
69.07070	16.7
71.14989	3.6
71.15324	2.1
78.80377	2.0
79.05485	11.2
81.07057	33.7
83.08618	30.8
85.06569	2.3
91.05479	15.3
93.07043	35.2
95.08032	4.0
95.08604	55.1
97.10183	3.5
105.07029	35.1
107.08596	55.2
109.06485	4.3
109.10159	26.3
111.08053	3.4
111.11669	2.3
117.07036	3.9
119.08582	66.7
121.06494	2.6
121.10147	46.4
123.08086	4.9
123.11684	14.5
125.09663	2.3
131.08582	15.9
133.09233	3.3
133.10141	47.9
135.08031	7.7
135.11696	29.3
137.09595	2.9
137.13232	5.1
143.08578	4.0
145.10121	34.5
147.11690	26.5
149.09592	3.3
149.13286	11.3
151.07501	6.2
157.10130	6.5
159.11688	27.1
161.13258	23.7
163.07545	6.0
163.11137	3.7
163.14853	15.9
165.09122	16.7
171.11665	6.8
173.13266	20.9
175.14803	18.4
177.09123	7.2
177.16336	8.4
183.11574	2.2
183.32242	2.3
185.13260	3.8
187.14806	17.2
189.16382	26.5
191.10561	2.2
191.17946	100.0
192.18141	2.7
199.14748	3.9
201.16386	61.2
203.18004	32.2
205.15871	2.7
205.19475	9.5
213.16301	3.7
215.14374	4.2
215.17915	8.1
217.19530	11.5
219.17432	13.4
221.19028	3.0
229.15854	8.4
229.19353	3.2
231.21054	2.9
233.15469	3.5
233.18834	3.3
239.18161	2.3
245.15227	2.4
245.22636	2.8
247.16937	21.7
263.20032	4.9
265.17975	12.6
275.19983	9.1
277.18225	3.0
277.21674	2.5
293.21088	5.5
391.33591	5.5
409.34601	11.8
430.62335	2.5
437.34521	11.4
455.22391	4.2
455.35342	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95728	3.8
55.05503	11.0
60.99323	3.7
61.50593	4.0
62.21143	3.8
67.05508	10.2
69.07056	12.4
69.72983	3.7
70.31871	16.2
71.02184	3.9
79.05483	12.9
80.88179	3.8
81.07054	43.5
83.08601	9.9
90.80711	4.6
91.05488	11.5
93.07036	41.1
95.08614	71.2
97.10146	4.6
99.08083	9.0
105.07041	48.6
107.08596	68.8
109.06550	6.8
109.10147	41.7
117.07047	4.8
119.08597	66.4
121.10157	50.9
123.11700	8.0
125.43958	3.8
131.08583	27.5
133.10121	52.1
135.11688	35.5
145.10126	45.2
147.11670	40.1
149.13271	17.1
153.60066	3.8
157.10078	8.9
158.10866	4.8
159.11707	34.0
161.13269	24.3
163.14838	28.3
164.30373	4.1
171.11685	6.0
173.13286	15.2
175.14801	28.4
177.16391	12.8
177.98434	4.0
179.14355	5.3
185.13400	5.2
187.14851	58.5
189.16341	36.3
191.17938	100.0
191.19571	8.5
197.13191	4.7
199.14799	5.3
201.16386	98.5
203.17967	36.9
207.17619	4.9
208.23688	4.1
215.17973	14.1
217.19531	15.7
219.17407	11.0
227.17975	5.4
229.19530	9.7
231.21065	7.2
247.16908	15.4
255.21281	4.3
260.41437	3.9
298.95346	4.0
327.41150	4.9
350.09424	3.8
364.79688	4.4
391.33704	11.3
409.34613	60.4
437.34116	15.2
455.35385	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.4
58.20074	6.2
64.47361	6.0
67.05509	14.8
68.18813	7.6
69.07064	23.5
69.40874	54.0
79.05490	21.9
81.07056	54.2
83.08636	10.4
91.05486	20.0
93.07043	42.3
95.08608	99.1
99.08083	7.2
102.86723	6.1
105.07030	37.2
106.32629	6.7
107.08594	77.8
109.10136	49.9
119.08576	91.5
121.10152	60.6
122.93223	7.4
123.08045	6.8
123.11709	13.1
131.08569	24.7
133.10132	57.8
135.11682	45.0
137.13193	7.4
145.10121	72.9
145.59978	6.0
147.11691	40.9
149.13293	24.3
157.10086	10.1
159.11694	47.0
161.13275	44.4
163.14795	43.4
165.09132	13.6
173.13284	27.5
175.14792	32.9
177.16425	24.3
179.14215	9.3
187.14822	91.9
189.16386	52.1
191.17935	75.6
199.14848	11.8
201.16393	100.0
203.17960	54.5
207.17523	13.3
213.16255	11.2
215.17912	19.1
217.19560	14.5
219.17459	9.4
221.18880	6.6
227.17982	14.4
229.19479	18.0
231.21143	18.7
247.17026	33.4
311.64682	6.4
391.33560	17.9
409.34674	77.8
411.36151	13.4
437.34241	24.4
455.35086	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47193	1.8
53.67072	2.0
55.05516	10.7
57.07074	5.3
59.54200	2.0
66.17913	1.8
67.05504	13.3
68.16950	2.0
69.07076	13.2
70.41217	3.9
72.12423	1.9
73.32268	1.8
77.86106	2.0
79.05486	11.4
81.07055	26.6
83.08607	7.2
91.05484	13.9
93.07043	25.8
95.08602	48.5
97.10175	3.9
99.08089	17.3
99.54848	2.2
105.07028	33.7
107.08590	52.4
109.10166	27.3
111.08081	2.4
117.07043	3.3
119.08575	53.6
121.10137	36.2
123.11732	9.9
129.07008	3.2
130.07771	2.6
131.08562	42.1
133.10126	51.1
133.11073	3.7
135.08049	2.1
135.11696	30.5
137.13243	5.5
143.08612	3.1
145.10127	43.0
147.11684	54.0
149.13269	19.3
154.33629	2.3
157.10106	7.0
159.11682	32.8
161.13263	18.9
163.14857	9.9
171.11632	4.9
173.13234	13.5
175.14838	10.4
177.16402	5.8
187.14830	29.3
189.16386	20.1
191.17949	100.0
199.14780	4.4
201.16383	91.9
203.18007	27.0
205.15977	3.5
205.19600	2.3
213.16351	5.7
215.17976	6.4
217.19518	11.6
219.17390	12.7
227.17940	2.8
229.19472	4.6
231.21124	4.2
247.16873	3.8
265.70090	2.0
273.22055	2.1
391.33475	5.4
409.34637	26.5
437.34055	14.5
455.35428	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.4
61.12764	3.5
62.69182	4.5
67.05499	15.4
69.07062	16.1
70.04275	18.7
70.04575	4.1
79.05493	17.5
81.07065	43.3
83.08593	7.6
85.67074	3.7
91.05473	19.0
93.07039	45.3
95.08617	74.6
97.10171	7.7
99.08082	12.2
99.50664	4.2
105.07037	47.9
107.08598	71.6
109.10175	36.9
117.07035	6.7
119.08585	77.0
121.10146	40.9
123.11700	17.9
131.08578	38.9
133.10127	60.8
135.11699	39.1
143.08588	4.8
145.10124	45.4
147.11693	55.5
149.13272	14.4
157.10101	12.6
159.11694	40.2
161.13258	34.8
163.14804	27.7
171.11722	6.3
173.13283	23.2
175.14807	15.0
177.16377	15.2
185.13193	9.2
187.14830	65.1
189.16376	34.1
191.16202	4.8
191.17957	100.0
195.17516	4.1
199.14798	6.6
201.16432	86.5
203.17969	39.5
213.16301	8.4
215.17915	12.6
216.59805	3.8
217.19527	10.0
219.17516	9.5
221.19157	4.2
227.17836	4.1
229.19542	12.9
231.21054	9.4
247.16985	8.0
289.22372	4.4
391.33551	10.3
409.34573	41.2
411.36316	6.8
437.34067	15.9
455.35364	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.3
55.49747	1.7
57.07068	5.9
62.70704	1.9
67.05507	12.3
69.06763	1.8
69.07077	16.9
79.05505	11.9
81.07055	40.2
83.08632	10.8
91.05475	16.0
93.07049	33.1
95.08608	60.2
97.10173	3.9
98.21523	3.6
100.11263	19.9
101.11596	5.3
105.07041	37.8
107.08601	42.2
109.10155	34.5
111.04435	3.8
117.07037	5.1
119.08582	100.0
121.10146	32.9
123.11690	14.2
129.07031	2.4
131.08595	14.9
133.10138	28.4
135.11699	28.9
137.13258	9.1
145.08995	2.8
145.10115	26.4
147.11696	24.7
149.13271	20.5
157.10164	3.5
159.11722	22.0
161.13280	24.3
163.07541	4.0
163.14822	12.5
165.09183	2.8
171.11681	4.3
173.13258	10.6
175.14836	17.3
177.16447	6.3
182.15460	7.0
183.15761	3.1
187.14832	10.9
189.16402	27.1
191.10527	2.1
191.17958	90.7
199.14809	3.9
200.67546	1.9
201.16388	39.2
203.05301	4.6
203.17953	43.8
203.19695	3.0
205.15865	3.7
205.19536	7.4
210.14862	4.9
211.15144	5.8
212.15381	2.2
213.16235	2.8
215.18024	3.8
217.16008	3.4
217.19511	13.3
219.13953	2.3
219.17455	22.0
219.21048	2.2
229.15759	3.5
229.19608	3.0
231.21078	2.8
237.14891	1.9
242.14720	1.8
245.22672	3.7
247.16963	10.4
251.16493	3.4
265.17987	14.6
277.17908	3.1
277.73163	2.5
293.13614	8.4
391.31757	4.5
409.34567	7.0
454.35550	2.1
454.84686	3.6
455.18707	36.1
455.35135	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44304	1.4
53.03939	2.4
55.05510	20.0
55.59090	1.4
57.07069	2.2
59.02800	1.3
67.05493	9.9
69.07066	16.6
70.17120	2.6
70.17509	3.2
72.79873	1.4
79.05464	6.4
81.07056	23.3
83.08146	1.4
83.08615	21.7
91.05473	10.2
93.07047	31.6
95.08606	42.0
97.06529	1.6
97.10192	3.6
98.21310	2.4
99.08113	1.9
105.07030	25.5
107.08591	34.9
109.06519	2.5
109.10157	27.5
117.07011	3.5
117.82841	1.5
119.08581	54.0
121.10139	28.7
123.11684	9.8
131.08546	14.3
133.10133	32.5
135.08134	1.9
135.11691	20.1
137.13243	7.1
143.08549	2.4
145.10115	21.8
147.11678	19.0
149.13251	15.4
151.07532	4.4
153.37682	1.5
157.10088	4.9
159.11699	21.7
161.13252	13.9
163.07559	6.1
163.14838	8.9
165.09061	7.7
171.11687	3.2
173.13258	15.7
175.14854	11.6
177.09116	4.0
177.16444	6.9
183.11659	1.6
185.13222	3.7
187.14827	13.3
189.16365	23.1
191.10631	3.0
191.17943	100.0
193.12012	1.6
201.16379	48.3
203.17972	21.8
205.12196	2.2
205.19504	8.3
213.16292	3.3
215.17923	3.3
217.19536	7.4
219.17468	11.2
221.19106	1.6
227.17982	2.3
229.15836	8.1
229.19440	3.6
231.21075	3.7
245.22783	2.1
247.16931	21.5
259.16708	2.2
263.16406	2.0
265.17923	10.0
267.20892	1.9
277.17868	2.5
391.33456	3.0
409.34592	6.2
437.34451	8.9
455.35321	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05501	11.4
56.32644	1.4
57.07067	3.4
59.51834	2.2
65.03941	2.9
66.80426	1.5
66.91587	1.4
67.05507	16.7
69.07068	8.7
69.72795	10.6
78.33249	1.6
79.05499	18.4
81.07062	49.5
83.05010	2.4
83.08620	8.5
91.05489	34.6
93.07054	39.3
95.04954	4.1
95.08611	55.9
95.52731	1.8
97.06517	3.9
97.10170	3.3
98.21412	3.0
99.08070	2.4
103.05536	1.9
105.07033	92.0
107.08599	46.3
108.73093	1.5
109.06518	6.8
109.10162	19.5
111.08093	5.9
115.05454	2.3
117.07018	22.4
119.08588	100.0
120.08923	1.7
121.10146	26.3
123.08061	5.8
123.11726	5.0
129.07021	5.7
130.07799	3.3
131.08578	49.2
133.10124	36.1
135.08078	5.7
135.11668	16.3
137.09663	2.6
137.13208	1.8
138.70317	1.6
141.06973	1.9
142.07829	3.2
143.08583	10.3
144.09312	3.9
145.10127	50.6
147.08032	3.4
147.11702	44.6
149.09644	5.7
149.13269	12.1
155.08559	3.1
157.10165	13.6
158.10890	2.6
159.11693	31.5
161.09660	4.0
161.13251	16.4
163.07600	2.2
163.11147	3.9
163.14822	7.4
169.10115	5.3
170.11029	1.8
171.11723	9.9
173.13271	40.3
175.11269	5.7
175.14836	53.9
177.12740	5.8
177.16409	20.2
182.10791	1.9
183.11662	5.1
185.13303	9.3
187.14822	57.2
187.65091	1.6
189.12732	2.7
189.16399	28.6
191.14311	10.9
191.17934	5.2
193.15887	4.5
195.11592	2.3
197.13240	5.7
199.14842	9.0
201.12782	5.4
201.16328	8.4
203.14357	8.8
203.17972	2.8
205.15898	41.9
207.17415	3.4
209.13371	1.7
211.14809	3.1
213.12831	3.1
213.16345	5.4
215.14313	5.5
215.17992	6.8
217.15897	16.5
217.19487	3.1
219.13808	17.4
219.17201	2.2
221.15416	6.1
225.16418	4.4
227.18004	3.2
229.15912	3.5
229.19514	2.9
231.17351	2.9
233.15440	3.1
235.17020	4.9
239.18001	3.3
241.19478	3.2
243.21274	2.4
247.16913	2.5
255.21158	3.0
261.18558	2.7
263.16370	6.7
267.21066	1.8
269.12503	2.3
271.20270	1.7
281.22702	2.2
301.21671	3.2
350.67334	1.8
373.28940	3.8
389.03000	1.9
391.29843	18.1
409.30795	19.0
412.20551	1.8
419.29456	7.0
437.29910	23.7
437.35422	2.8
455.30591	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06585	5.0
55.05505	24.1
56.96571	5.6
57.03424	7.1
57.07074	14.0
67.05503	15.5
69.03429	57.1
69.07069	100.0
69.24628	56.3
70.43917	5.0
73.02921	9.2
77.19489	4.9
79.05491	7.9
81.03450	7.7
81.07043	23.9
83.08629	34.7
85.02908	41.9
85.56952	5.3
91.05484	9.9
93.07056	21.2
95.08600	19.7
97.02879	21.5
98.97597	9.3
99.04488	8.0
105.07030	22.6
107.08591	17.9
109.02855	12.3
109.10175	15.2
111.04428	6.0
115.03936	6.0
119.08590	20.0
121.10172	32.8
123.08093	5.6
123.11709	7.6
127.03912	18.0
131.08562	11.3
133.10139	12.1
135.11694	7.8
137.05972	21.2
137.13264	6.8
143.14314	62.8
145.04970	11.8
145.10130	16.1
147.11728	8.5
151.07529	8.7
159.11703	11.7
161.13226	11.2
161.15369	8.4
163.07611	5.7
163.11205	17.9
163.14857	6.7
165.09125	23.1
171.11734	5.3
177.09079	9.6
191.10619	5.1
191.17905	7.1
192.18341	6.4
201.16501	11.2
207.13878	11.2
313.14481	8.5
321.12167	6.2
338.89041	5.5
373.29755	5.4
387.81177	6.5
393.13583	5.1
398.28928	6.1
455.22977	48.5
455.34537	8.5
456.21497	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	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.05513	9.7
55.69992	3.5
57.07053	12.9
62.06078	9.7
67.05508	19.0
69.07056	22.1
70.49809	10.0
70.50169	7.1
71.08629	5.0
79.05502	24.0
81.03391	9.4
81.07057	47.4
83.08592	10.7
85.06567	4.8
91.05492	26.7
93.07052	38.3
95.04971	32.7
95.08603	59.7
96.08943	3.9
97.06464	4.7
97.10130	7.5
98.21487	4.0
105.06364	7.1
105.07030	82.1
107.08593	50.9
109.06520	12.5
109.10165	26.3
117.07017	14.7
119.08584	100.0
121.06500	4.5
121.10142	40.6
123.08087	4.7
123.11691	12.6
129.66367	3.7
131.08583	38.8
133.10126	54.6
135.08023	13.9
135.11687	27.8
137.09596	5.6
137.13239	6.8
139.11165	5.1
143.08543	10.6
145.10129	36.0
147.11668	36.8
149.13231	16.0
157.10118	12.8
159.08047	6.0
159.11705	21.2
161.09654	5.1
161.13237	21.4
163.11104	6.5
163.14821	16.5
167.51479	4.0
169.10063	5.9
171.11661	8.9
173.13275	56.9
175.14819	59.0
177.12799	5.8
177.16394	9.8
183.11656	4.2
185.13271	12.5
187.14804	21.6
189.12608	4.6
189.16402	45.8
190.85312	4.0
191.14314	10.0
191.17970	7.7
193.15858	6.6
197.13289	8.6
199.14825	10.9
201.16396	9.9
203.14359	7.9
203.17929	10.4
205.15877	10.9
207.17416	19.5
213.16362	8.5
215.14386	7.9
215.17934	12.0
217.15828	10.6
219.13805	25.1
221.15288	5.5
227.17947	4.7
229.19556	6.4
233.15414	29.9
235.16945	10.1
241.19470	7.1
243.20950	6.0
261.18488	4.6
269.22797	4.4
283.28452	4.0
313.27530	5.6
314.27704	35.3
364.93042	4.1
391.29709	12.3
409.30746	35.3
437.34885	32.8
438.34082	4.8
455.30664	29.3
455.35159	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1524
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
59.48935	0.4
69.93700	1.7
84.25085	0.4
93.66496	0.4
94.14014	0.4
98.20706	0.4
98.97612	0.4
100.04288	0.4
101.59112	0.4
102.48634	0.4
142.19296	0.5
150.29703	0.5
174.35413	0.4
174.90160	0.4
250.26843	0.4
281.12427	0.5
317.08453	1.3
323.10059	0.7
437.03775	0.5
455.15271	100.0
456.15543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
51.08845	0.4
55.47520	0.3
56.96557	0.6
61.02932	0.4
62.17242	0.4
62.52012	0.3
65.52558	0.3
69.03413	0.9
69.95367	1.4
85.02889	1.3
89.03918	0.4
97.02892	1.1
98.97580	1.0
109.73984	0.3
116.98486	0.3
117.03255	0.5
127.03920	0.5
131.07091	0.5
135.04436	0.8
145.02817	0.5
145.04976	0.4
158.99617	0.4
161.01256	0.3
163.03951	2.3
177.05525	1.0
219.01819	0.6
221.06519	0.4
231.08856	0.5
233.06627	0.6
237.02885	0.6
275.13828	0.6
323.10330	1.2
335.10248	0.4
455.15265	100.0
456.15546	1.9
467.87656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.132
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
52.21983	0.8
55.05500	1.6
56.96565	10.7
67.05490	1.5
69.03427	2.5
69.45821	6.0
71.05017	1.0
73.02927	1.0
73.23335	0.8
73.80014	0.9
81.03403	1.0
81.07066	1.7
84.96026	3.6
85.02884	1.5
87.13461	0.8
91.05479	1.1
93.07039	1.5
95.08615	1.3
97.02899	1.3
98.97584	28.6
107.08561	1.9
110.97568	11.4
112.99140	1.9
116.98631	8.7
119.08514	1.0
121.10123	1.4
124.99128	1.5
126.97093	1.6
128.98611	10.1
131.00189	1.3
133.10091	1.2
137.05948	1.3
137.09656	0.9
140.98590	2.1
143.00166	5.0
144.98096	2.2
145.10178	1.0
145.95549	0.8
146.99637	2.5
149.01250	1.2
155.00247	1.0
158.56282	0.9
158.99664	7.0
161.01230	3.4
162.99171	1.1
165.09106	2.2
170.99660	2.3
177.00755	5.4
177.02089	1.2
179.03784	11.4
181.75882	1.0
189.00729	3.0
193.05356	1.1
197.04839	5.6
201.00703	2.0
203.03754	1.7
206.31250	0.9
207.03275	1.3
219.01750	20.1
221.04855	10.3
237.02831	22.3
239.03149	0.9
239.05928	2.9
245.04732	1.4
253.00066	0.9
255.03883	1.1
263.05927	3.2
269.93979	0.9
323.08054	28.9
341.09103	21.8
373.91705	0.9
422.71832	0.9
455.12756	100.0
455.22516	23.1
456.13022	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
56.96565	17.6
57.03431	4.3
58.14231	2.2
69.03461	3.4
69.07082	2.5
71.04986	13.2
71.21633	2.4
71.61389	3.5
78.79914	2.2
83.04990	3.6
84.96034	4.7
85.02912	29.6
91.05501	5.2
93.07035	2.2
93.37070	2.3
97.96794	5.8
98.00593	2.4
98.97588	45.3
106.85971	2.7
110.97567	21.3
111.04445	4.7
112.99075	5.1
116.98631	13.6
119.08627	2.4
127.03972	2.6
128.98659	12.8
129.05481	8.4
136.99045	2.5
143.00179	8.3
146.99727	3.1
147.06485	3.6
152.98624	4.4
158.99643	11.1
161.01204	6.8
170.99699	3.6
177.00771	8.2
189.00713	3.2
189.02240	3.5
201.00758	3.1
207.03259	13.0
219.01729	21.6
225.04361	5.5
237.02792	25.7
263.03229	6.2
309.06387	21.4
327.07523	100.0
350.08990	3.2
364.73206	2.6
383.68661	3.2
395.10187	3.5
455.12976	46.8
455.22629	23.2
470.40448	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.4
62.00090	0.4
69.03423	0.7
69.83713	0.4
71.10516	0.6
75.18475	0.4
79.05491	0.7
81.07041	0.5
84.96027	0.6
85.02906	0.9
86.11910	0.5
89.03913	3.0
97.02885	1.1
98.97578	2.7
107.04942	0.8
110.97566	0.9
116.98613	1.3
117.03365	2.2
119.01915	1.5
119.08554	0.6
128.98599	1.3
131.01900	1.1
135.04419	4.1
143.01938	1.0
145.02864	1.9
147.04433	1.5
150.73891	0.5
161.01169	0.5
161.02953	1.4
163.03900	18.2
164.04295	1.3
169.03487	1.5
170.99706	0.5
173.02974	0.8
177.05418	0.5
185.02908	0.6
191.17911	0.5
193.04893	0.5
193.08562	0.5
201.00751	0.6
203.03989	0.7
215.42874	0.5
219.01811	2.4
221.05055	0.6
237.02771	3.5
273.02667	0.7
287.05981	1.7
290.27966	0.5
309.51248	0.5
317.08591	2.4
366.69330	0.5
411.12366	0.7
413.07111	0.7
428.59802	0.6
453.54852	0.5
455.11505	100.0
456.11386	2.1
471.08719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23936	0.8
70.51711	1.7
147.69806	0.8
212.85323	0.8
368.81030	0.9
455.11630	100.0
456.12012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05496	2.9
57.03429	4.2
57.06821	1.8
57.07079	22.1
59.94394	1.3
62.06094	25.5
66.43310	1.1
66.44286	1.1
66.92512	1.1
67.05506	4.6
69.07088	6.2
71.08633	16.1
71.13194	1.7
79.05492	1.6
81.06644	1.6
81.07061	7.7
83.08602	5.5
84.39201	1.3
85.10190	7.8
87.33151	1.1
90.80426	1.1
91.05482	1.3
93.07017	1.3
93.38117	1.1
94.04787	1.1
95.08603	13.2
97.10191	1.6
97.90768	1.0
98.98471	4.6
105.07034	3.3
107.08603	5.0
109.10170	6.1
117.07060	1.6
119.08560	2.9
121.10152	1.8
123.11708	3.0
124.01629	2.5
131.08540	1.4
133.10136	2.1
135.11661	1.6
145.10144	3.3
147.11737	1.5
148.76334	1.2
155.01018	7.3
159.11751	1.3
161.13382	1.4
175.14850	2.2
185.36444	1.3
187.14845	1.7
198.05194	2.2
204.18213	1.2
216.06313	3.5
239.23663	2.2
282.27899	10.0
313.27377	100.0
314.27805	1.8
318.04663	1.2
374.77661	1.2
393.24017	5.6
404.59784	1.4
436.28009	1.5
436.33273	2.1
454.34387	6.9
468.82254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.2
57.07063	16.5
67.05488	20.6
69.07048	23.0
71.08617	20.1
71.32690	4.5
71.61638	7.5
71.62012	6.2
77.18074	4.5
79.05493	8.7
81.07053	26.7
83.08605	12.2
85.10167	10.9
89.06013	14.5
91.05466	10.0
93.07024	25.0
95.08613	46.4
97.06498	5.2
97.10153	8.5
99.04440	6.1
105.07013	19.0
107.08578	23.1
109.10142	17.3
117.06997	8.0
119.08556	30.2
121.10127	15.2
123.08076	6.7
127.03917	44.1
131.08566	13.2
133.08621	12.6
133.10153	15.5
135.08063	16.2
135.11690	10.4
137.09589	11.6
141.05432	10.1
145.10124	14.3
149.09581	7.4
149.13338	6.4
155.07138	6.3
157.10133	6.4
158.68008	5.0
159.11664	7.3
161.09627	9.6
161.13287	8.1
162.12746	7.8
169.04939	17.4
173.13237	5.3
175.11250	8.0
175.14911	9.8
183.10159	5.3
185.13287	8.5
187.14783	13.6
189.16367	17.6
201.16415	10.6
203.18048	5.3
205.15825	6.6
217.15907	6.5
239.12753	8.4
239.14925	9.9
240.15175	10.4
253.13989	6.2
267.15720	5.1
281.17349	6.5
295.19144	7.7
365.26706	5.4
407.33142	7.5
435.34375	19.9
453.33655	100.0
454.34119	5.7
468.57770	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31936	3.2
53.03919	3.5
55.05513	21.4
57.07070	6.5
67.05509	24.9
69.07066	21.6
71.14908	7.2
71.48675	3.0
79.05479	15.8
81.07059	50.3
83.08621	22.5
91.05473	26.5
93.07059	42.5
95.04980	3.9
95.08607	92.0
97.06516	6.3
97.10157	5.9
99.08109	19.3
100.11261	23.6
105.07027	60.6
107.08602	69.0
109.06478	3.7
109.10161	50.3
111.08127	4.8
117.07002	7.1
119.08583	100.0
121.10152	53.1
123.11709	30.7
123.55157	3.5
129.06981	4.0
131.08572	37.0
133.10135	53.5
135.11702	51.5
137.13280	10.2
139.08800	3.1
142.07841	3.6
143.08537	15.0
144.09341	3.7
145.10133	50.2
147.08057	4.1
147.11700	49.6
149.13268	24.2
151.11101	3.9
151.14780	3.6
156.09364	4.7
157.10133	19.0
159.11694	58.3
161.13251	43.5
163.07549	5.4
163.11136	6.6
163.14827	17.7
169.10097	7.1
170.10818	3.5
171.11697	19.9
173.13255	32.2
175.14812	34.5
177.12759	4.9
177.16414	11.8
179.14397	4.0
183.11664	7.5
185.13237	14.8
187.14828	32.8
189.12759	5.6
189.16379	75.9
191.14352	7.3
191.17949	66.9
197.13258	7.8
199.14851	34.3
201.16386	46.5
203.14349	8.7
203.17950	39.8
205.15672	3.1
205.19569	6.2
207.17412	6.1
209.16615	4.7
210.14929	4.9
211.14810	7.1
213.16353	11.7
215.14359	6.9
215.17899	7.1
217.15958	16.6
217.19498	16.3
219.13708	4.4
221.15532	5.0
227.18005	7.0
229.19507	7.1
231.13972	3.9
233.15289	6.2
237.14839	9.2
239.18027	4.4
241.19678	4.4
243.21097	11.7
245.15393	13.8
247.16986	4.5
255.21172	9.3
263.16476	22.6
267.20981	4.5
291.13422	9.7
365.31784	4.9
389.31985	10.4
407.33224	24.2
435.32629	40.5
453.33713	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.67867	3.2
53.03957	4.8
55.05519	24.2
55.09962	4.0
56.96595	3.3
57.07072	6.6
65.03938	4.1
67.04444	3.6
67.05510	31.8
69.07066	31.2
69.39273	17.3
69.39684	14.0
74.37645	3.6
75.81911	3.5
79.05503	23.2
81.03396	4.3
81.07057	57.7
83.05009	4.7
83.08613	13.7
85.06562	3.5
91.05487	36.4
93.07047	54.4
95.04955	5.6
95.08611	74.2
99.08129	3.9
103.05525	4.1
105.07030	57.0
107.08597	81.5
109.06506	3.8
109.10165	52.3
111.08089	7.2
117.07021	15.1
119.07787	6.4
119.08585	100.0
121.06451	4.1
121.10150	57.9
121.13826	3.3
123.08072	6.1
123.11708	22.1
129.07005	6.5
130.07755	4.5
131.08571	38.2
133.10136	59.3
135.08073	5.1
135.11693	46.5
137.09674	3.8
137.13232	9.3
139.11136	3.6
142.07748	5.0
143.08585	20.9
145.10117	79.7
147.11693	50.7
149.09605	5.2
149.13263	25.4
156.09283	4.8
157.10149	39.1
159.11716	48.2
161.09680	5.5
161.13246	37.9
163.07529	5.8
163.11156	5.3
163.14853	14.9
165.12737	3.9
168.09245	4.0
169.10141	8.8
170.10954	5.5
171.11690	26.1
173.13304	30.2
175.14841	25.5
177.16367	14.1
183.11783	8.2
185.13258	19.4
187.14850	43.2
189.09125	6.5
189.12781	5.7
189.16386	77.9
191.14349	6.0
191.17950	81.4
197.13295	15.9
199.14810	64.3
201.16405	53.4
203.10504	5.2
203.17957	36.3
205.12289	4.5
205.15990	4.0
207.17482	11.0
211.14902	8.9
213.16220	19.8
215.14317	5.3
215.17941	17.3
217.12308	5.2
217.15944	20.2
217.19560	10.9
219.13872	7.4
223.14812	4.9
227.14258	4.0
227.17900	10.6
229.15808	6.8
229.19513	10.4
233.15298	7.8
233.18872	3.9
241.19650	4.0
243.21054	8.1
245.15276	18.3
253.19472	7.1
255.21074	14.4
263.16452	5.9
273.18500	7.2
291.15945	4.6
299.19983	4.6
358.08749	3.9
389.31949	12.5
407.33322	26.0
435.32669	36.8
453.21381	5.7
453.33731	82.2
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
53.03924	2.2
55.05505	13.6
57.07068	3.8
66.14137	1.5
67.05511	17.6
67.88285	1.7
69.07076	19.4
69.42051	14.6
79.05501	15.3
81.07063	44.7
83.08613	10.2
85.06545	2.4
91.05477	21.2
93.07048	37.6
95.04959	2.7
95.08614	68.6
97.06638	2.2
97.10181	4.7
100.11269	4.5
105.07037	46.4
107.08596	46.9
109.06514	2.4
109.10168	38.0
111.08038	2.6
117.07017	10.5
119.08583	64.8
121.10146	41.6
123.08102	2.1
123.11723	17.6
128.06207	2.4
129.07002	6.0
130.07814	2.9
130.54198	1.8
131.08580	36.2
133.10132	40.0
135.11710	31.8
137.09613	3.0
137.13280	7.9
142.07791	8.3
143.08571	17.5
144.09346	2.4
145.10126	51.8
147.11691	29.8
149.09636	2.7
149.13258	13.7
155.08563	4.7
156.09309	4.7
157.10132	26.5
158.10843	2.5
159.11722	47.1
160.12282	2.6
161.09691	2.5
161.13243	24.1
163.07536	4.2
163.14822	12.2
165.09119	2.2
169.10152	6.2
170.10881	4.1
171.11682	13.7
173.13255	28.7
175.11140	3.6
175.14824	12.3
175.53995	2.0
177.12717	4.5
177.16420	8.8
179.14319	3.0
183.11781	4.1
184.12537	1.9
185.13275	13.1
187.14822	43.2
189.16389	30.4
191.14330	7.0
191.17953	100.0
192.18222	2.9
197.13216	4.7
199.14825	35.1
201.12692	3.8
201.16386	38.1
203.05257	2.7
203.17960	30.9
205.12207	4.1
205.15869	3.4
205.19505	3.8
211.14873	4.4
211.57840	1.8
213.16371	7.5
215.14398	6.3
215.17972	7.2
217.15887	30.2
217.19356	8.9
219.13815	4.2
219.17528	4.9
227.17947	4.6
229.19489	3.4
231.13818	5.0
231.17453	3.6
233.15355	9.9
243.13763	2.3
243.21173	3.3
245.15402	12.0
247.17038	4.3
253.19437	3.0
255.21172	3.0
261.14795	3.8
263.16437	3.2
269.22742	2.0
291.13455	9.0
389.32025	2.9
407.33160	23.3
409.18414	11.0
423.32489	3.0
435.32742	18.5
453.16724	3.0
453.21490	3.2
453.33749	47.8
454.98254	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.80788	4.1
55.05499	20.4
67.05495	20.0
67.98585	3.8
69.07071	24.6
70.13139	12.0
70.13539	6.3
79.05482	27.5
81.03352	4.2
81.07056	55.5
83.08622	11.3
91.05476	25.5
93.07038	46.1
94.10989	4.4
95.08045	7.0
95.08607	80.2
97.10157	6.0
98.20844	4.8
104.86279	4.1
105.07029	77.2
107.08593	82.4
107.81329	4.6
109.10158	48.3
111.08090	21.8
117.06988	9.8
119.07771	8.8
119.08578	100.0
121.10150	49.7
123.11700	19.8
131.08568	37.9
133.10139	54.5
135.11717	45.0
143.08539	20.6
145.10132	65.7
147.11679	64.8
149.13275	37.8
156.09238	5.5
157.10085	23.6
159.11696	62.1
160.66724	5.3
161.09795	5.2
161.13297	43.1
163.07645	5.4
163.14812	19.2
169.10115	9.0
171.11684	17.8
173.13251	38.0
175.14832	42.2
177.16382	17.4
179.14250	5.0
183.11722	13.7
185.13295	22.8
187.14787	42.9
189.16385	51.3
191.17909	15.5
193.15971	5.2
197.13324	8.0
199.14876	29.7
201.16379	96.0
203.17964	46.3
205.15942	13.1
205.19438	6.5
207.17436	15.1
211.14798	14.4
213.16393	20.7
215.17963	18.6
219.17438	10.3
221.18915	4.5
225.16254	7.2
227.17944	9.4
229.15977	5.4
229.19475	8.5
231.13832	7.0
233.15424	8.9
233.19058	5.7
239.17993	8.6
241.19485	8.2
245.15361	13.9
247.16878	23.5
253.19443	14.8
255.21007	5.8
267.21042	9.5
271.16934	6.5
299.20047	9.4
389.31949	18.4
391.32947	4.5
395.29266	7.0
407.32990	56.3
408.33298	6.0
409.34607	6.6
423.33063	6.9
435.32700	39.8
453.33731	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05505	10.4
57.07061	5.1
61.14277	1.2
65.03924	1.4
67.05511	15.3
69.03419	3.1
69.06716	1.4
69.07070	17.5
69.80678	4.0
69.81097	2.3
71.04986	1.8
79.05489	12.6
81.03394	1.1
81.07057	35.7
83.08630	8.0
85.02901	2.2
85.06573	1.6
91.05486	15.0
93.06454	2.0
93.07048	32.2
95.04996	1.5
95.08604	56.1
97.06530	3.3
97.10167	4.5
99.04479	1.1
99.08121	1.0
99.16914	1.1
100.11251	4.0
103.05484	1.4
105.07030	44.3
107.08596	46.2
109.06489	1.5
109.10155	30.8
111.08065	2.2
111.11720	2.0
115.05442	1.5
117.07011	7.4
119.08586	54.9
121.06519	1.2
121.10146	37.5
123.04406	1.1
123.08083	1.4
123.11698	14.8
125.06040	1.1
125.09600	1.5
127.03948	1.3
128.06248	2.7
129.06981	5.1
130.07791	1.4
130.29507	1.2
131.08578	31.9
133.10135	38.5
135.08118	1.1
135.11694	30.5
137.06020	1.3
137.13284	6.4
138.09125	1.4
140.07079	1.3
142.07806	5.3
142.60825	1.1
143.08565	14.5
144.09354	3.5
145.10127	45.2
147.11682	28.9
149.05986	1.5
149.13271	13.8
151.11195	1.6
155.08565	3.6
156.09346	3.7
157.10143	22.7
158.10916	3.3
159.08076	1.3
159.11697	45.8
160.12344	1.2
161.09659	1.6
161.13251	20.2
163.07544	4.4
163.11099	1.6
163.14822	15.0
165.09129	2.6
165.12802	1.6
167.06956	1.7
169.10120	5.9
170.10944	4.0
171.11685	13.5
173.09604	1.5
173.13280	23.7
175.14830	13.9
177.09134	2.6
177.12868	2.3
177.16405	7.6
179.14236	1.4
181.10168	1.6
183.11668	5.3
185.13284	14.4
186.13936	1.1
187.14825	41.7
187.75137	1.4
189.09093	1.2
189.12778	1.5
189.16391	33.0
191.10646	3.2
191.14357	5.7
191.17946	100.0
192.18298	3.0
193.12311	1.5
193.15866	1.6
195.11729	2.3
197.13335	7.4
199.14825	34.5
201.12848	2.2
201.16397	34.2
203.05266	3.2
203.14340	4.1
203.17958	27.8
205.12285	5.0
205.15927	5.3
205.19504	4.3
207.13838	2.2
207.17419	2.1
209.13229	1.6
209.16484	1.4
210.14925	1.8
211.14862	3.8
213.16383	9.0
215.14365	5.0
215.17848	5.7
217.12343	3.4
217.15901	32.5
217.19331	8.7
219.13863	3.8
219.17442	3.8
223.14763	1.9
225.16479	3.3
227.14502	1.8
227.17903	4.0
229.16011	1.8
229.19453	3.6
231.11673	1.2
231.13824	2.6
231.17395	3.4
231.21051	2.8
233.15372	12.0
239.17863	2.9
241.19681	2.3
243.21143	1.6
245.15343	10.0
247.16924	2.6
251.17961	1.7
253.19475	2.0
255.21165	3.8
257.18915	1.7
259.16647	1.6
261.14981	1.9
263.16321	5.2
269.22647	1.8
272.82129	1.2
273.18463	2.6
275.16373	1.2
291.13412	11.7
315.19357	1.2
377.32059	1.3
389.32114	3.9
407.33127	28.1
409.18307	23.4
423.32501	4.0
425.33835	1.6
435.32602	17.4
453.17569	5.0
453.33710	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03950	5.1
53.68906	3.6
55.05505	20.5
57.07066	8.0
57.58458	4.0
67.05502	26.2
67.91248	3.5
69.07073	27.2
69.68053	21.3
69.68471	7.5
79.05511	22.7
81.07056	71.1
83.08608	14.9
84.14548	3.8
90.37452	3.4
91.05480	35.1
93.07047	63.3
95.08603	94.9
97.06546	4.3
99.08088	6.9
102.82549	3.7
105.07037	72.8
107.08595	100.0
109.06496	6.7
109.10160	55.8
111.08084	18.5
117.06985	6.6
119.08583	97.6
121.10145	48.8
122.80137	3.6
122.83464	4.1
123.08076	5.8
123.11697	19.5
125.09659	4.2
128.06180	4.1
128.73907	3.9
129.06989	6.8
131.08551	40.2
133.10129	70.1
135.07977	5.0
135.11702	35.2
137.13268	4.8
142.07855	3.5
143.08533	20.4
144.09294	8.0
145.10115	53.2
147.11682	45.6
149.13272	31.1
151.11191	4.0
153.12752	4.1
155.08545	7.4
157.10123	20.1
158.10889	7.1
159.11693	55.4
161.13260	45.7
163.07542	4.0
163.14825	19.7
165.12726	8.0
169.10109	12.9
171.11665	22.4
173.13271	44.2
175.11313	4.6
175.14828	34.2
177.16418	12.4
179.14343	5.8
181.09937	4.6
183.11673	10.4
185.13301	17.9
187.14815	43.8
189.16371	30.9
191.14368	5.6
191.17978	10.9
197.13275	11.8
199.14783	31.9
201.16371	68.9
203.17885	20.7
205.15872	14.9
207.17406	8.3
209.13254	7.8
210.18500	6.0
211.14806	9.1
213.16402	30.1
215.17961	24.8
217.12216	5.1
217.15891	7.9
217.19612	5.2
219.13808	7.8
219.17422	12.7
223.14870	6.0
225.16417	9.2
227.17912	8.5
229.19589	10.3
237.16479	6.0
239.17972	10.8
241.19505	14.8
243.21068	4.5
245.15331	10.0
245.19016	5.0
247.16896	10.9
253.19542	13.3
255.21190	4.6
259.16959	6.7
267.21085	11.7
273.18570	5.7
273.22180	5.1
285.18414	7.0
299.19986	9.9
301.21478	5.4
313.21506	6.0
326.80679	3.9
389.32138	17.4
407.33066	70.6
409.34558	5.3
435.32660	42.3
453.33850	96.6
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
53.03933	2.4
55.05520	10.7
57.07071	5.4
65.03970	1.8
67.05511	21.2
69.07066	19.9
70.88340	3.5
79.05489	12.0
79.80761	1.6
81.07060	57.9
83.08618	12.1
91.05489	11.5
93.07046	24.7
95.08606	57.9
97.10200	8.7
99.08095	8.1
105.07032	30.2
107.08598	35.5
109.06524	3.6
109.10162	32.9
111.08047	3.8
111.11678	2.2
114.95811	2.2
117.07041	5.0
119.08573	38.6
121.10155	31.2
123.08115	2.3
123.11713	27.5
129.07039	5.0
129.43442	1.6
131.08565	18.1
133.10130	25.9
135.08128	2.3
135.11728	18.4
137.13266	16.6
142.07797	2.2
143.08589	10.3
145.10126	22.9
147.11700	22.8
149.13268	21.8
155.08504	2.1
157.10083	13.0
159.11697	24.4
161.13266	20.2
163.14862	7.2
164.02066	2.1
169.10103	2.9
171.11658	12.3
173.13272	17.6
175.14819	15.3
177.12698	4.5
177.16434	6.8
181.12283	2.0
183.11658	6.3
185.13278	18.8
187.14842	17.8
189.12753	2.3
189.16367	19.0
191.14323	4.5
191.17966	18.1
193.12340	1.9
193.19527	2.6
195.11719	2.7
196.12541	2.0
197.13293	6.0
199.14803	17.8
201.12744	3.0
201.16380	14.0
203.14413	7.1
203.17940	16.0
205.19566	2.6
207.13947	2.4
207.17479	3.8
209.13432	2.3
211.14847	6.2
213.16524	10.5
215.14368	5.2
215.17915	8.8
217.15984	6.2
217.19545	5.8
219.17548	2.6
225.16504	3.4
227.18024	3.3
229.19635	4.4
237.14844	4.8
239.17889	3.9
241.19473	2.2
243.13721	2.1
243.21167	7.0
245.15453	3.6
247.13268	11.8
247.16972	2.5
249.14799	2.2
253.19516	3.5
255.21132	4.3
261.14899	15.4
263.16400	4.5
267.21167	3.3
269.18802	2.2
271.16852	1.9
279.21060	2.0
285.18521	2.5
287.20172	2.4
299.19904	2.8
355.92410	2.0
383.33261	2.8
386.60245	2.0
389.32050	3.8
407.33240	18.8
409.34955	2.8
435.32813	15.3
453.33771	100.0
454.34018	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03952	1.2
55.05519	4.6
55.18149	0.8
56.24287	0.8
57.07076	1.4
57.38475	0.9
60.20632	0.8
67.05502	5.9
69.03408	1.0
69.07075	5.3
69.07384	0.9
69.64418	5.8
71.08640	1.0
79.05497	4.5
81.07060	11.6
83.08606	2.8
85.06525	0.9
91.05472	5.3
93.07055	10.7
95.04953	2.1
95.08607	16.0
97.06514	1.0
97.10174	1.7
99.08111	1.5
105.06372	1.3
105.07031	14.9
107.04973	1.0
107.08591	15.5
109.06529	2.3
109.10143	10.8
111.08089	1.0
117.07006	1.2
119.08584	19.4
121.10147	14.8
123.08104	2.2
123.11720	4.7
125.06031	1.7
125.09677	0.8
129.06975	0.8
131.08560	4.9
133.10135	11.3
135.08054	1.3
135.11690	11.7
139.07526	1.8
139.11147	1.9
143.08560	4.5
145.10095	7.3
147.11696	8.9
149.13268	4.0
155.08379	1.0
157.10144	4.3
159.11719	7.2
161.09641	1.3
161.13297	6.5
163.11191	1.6
163.14851	3.7
165.09123	0.9
169.10091	1.9
171.11572	4.0
173.09630	2.2
173.13228	5.6
175.11285	1.9
175.14825	10.9
177.16409	3.1
183.11726	2.4
185.13260	3.1
187.14819	8.2
189.12761	2.2
189.16409	12.8
191.10629	1.0
191.17981	1.6
195.11740	1.3
197.13293	1.5
199.11320	1.0
199.14854	2.7
201.12778	1.3
201.16281	6.6
203.17961	2.5
205.15916	3.5
207.11810	0.9
207.17572	1.6
211.14824	2.7
213.16386	4.0
215.14377	2.6
215.17998	2.8
217.15968	1.7
219.17441	9.7
221.15440	1.2
225.16533	0.9
227.14433	1.0
227.17911	1.9
229.15945	1.5
229.19446	1.5
231.13837	1.0
231.17433	1.6
233.15399	5.5
233.18959	1.2
235.16963	2.9
239.17958	1.3
241.19553	2.0
245.15361	1.8
247.17039	1.2
253.19659	2.4
255.17575	1.0
255.21118	1.5
259.17130	1.3
265.19580	1.6
267.21036	1.4
271.17178	0.8
271.20584	2.9
273.18500	1.1
281.19446	0.9
285.22006	0.9
287.94443	0.9
299.20053	5.2
301.21603	1.2
313.21637	1.6
389.32193	3.1
407.33200	6.5
417.31821	1.1
425.34430	2.6
435.32675	22.4
453.33713	100.0
454.34100	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.05511	19.3
63.10168	3.8
67.05518	23.0
69.07064	27.1
70.79887	5.8
70.80236	7.4
79.05503	20.0
81.07056	57.3
83.08630	8.9
91.05478	25.4
93.07043	53.9
95.04980	5.7
95.08605	89.8
97.10160	6.5
99.08102	7.2
105.07030	64.8
107.08588	86.3
109.06504	3.9
109.10156	53.7
111.08079	30.7
117.07012	9.7
119.08578	100.0
121.10146	60.2
123.08032	6.2
123.11675	19.8
129.06970	8.8
131.08566	36.3
133.10133	51.4
135.11697	33.6
137.13298	6.8
142.07765	7.1
143.08490	19.9
144.09341	5.2
145.10133	62.3
147.11681	46.4
149.13258	39.3
151.11200	4.3
155.08513	7.8
157.10159	23.9
159.11694	53.6
161.13274	45.0
163.14801	16.8
169.10153	9.5
171.11699	20.1
173.13287	38.3
175.14850	33.3
177.16385	17.5
183.11650	10.6
185.13306	25.2
187.14824	42.8
189.16380	52.2
191.17944	8.8
197.13281	9.3
199.14818	30.0
201.16376	79.2
203.14307	4.8
203.17955	35.3
205.15829	8.7
207.17424	13.4
209.13219	5.4
211.14818	7.4
213.16409	20.9
215.17924	14.1
217.15800	8.2
217.19531	7.6
219.13763	5.6
219.17412	5.8
225.16359	11.7
227.17935	14.0
229.19470	5.9
231.13722	6.2
231.17529	5.6
233.15385	6.3
233.19008	4.5
239.17947	8.9
241.19557	10.8
245.15359	17.7
247.16911	17.9
249.18513	4.9
253.19469	9.1
255.21068	7.6
259.16815	4.9
267.20972	8.5
273.18466	6.2
279.20871	5.0
285.18723	5.7
299.20001	7.9
313.21558	6.0
342.16754	4.1
359.47284	3.8
389.32025	8.0
407.33127	64.6
435.32593	39.2
453.33716	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49630	2.5
55.05497	9.0
56.76505	2.5
57.07063	2.3
67.05506	13.6
69.07069	13.0
79.05504	11.5
81.07059	34.1
83.08613	6.0
84.60432	2.2
91.05467	14.3
93.07047	37.6
95.04942	1.9
95.08607	52.8
97.10171	4.4
104.65836	2.0
105.07035	44.8
107.08595	39.0
109.06512	2.2
109.10159	27.3
111.08080	15.0
113.84588	2.0
117.07020	4.9
119.08585	64.2
120.76530	2.3
121.10137	27.3
123.11715	12.2
129.06981	3.4
131.08566	24.2
133.10144	40.4
135.11702	26.6
135.22736	2.1
137.13240	2.8
139.11197	3.2
142.07800	2.4
143.08568	13.6
145.10130	32.8
147.11674	37.8
149.13257	23.4
151.11281	2.4
155.08548	3.4
157.10175	16.0
158.10980	2.3
159.11699	28.1
161.13268	27.1
163.07498	2.8
163.14822	8.3
169.10092	2.9
170.10847	2.2
171.11734	10.0
173.13249	18.2
175.14842	22.4
177.16391	13.7
179.14311	3.1
183.11737	6.7
184.12508	2.3
185.13261	36.2
187.14827	35.5
187.16403	3.2
189.09201	2.8
189.16371	25.6
191.17943	7.1
197.13217	6.6
199.14783	18.7
201.16409	48.4
203.17984	27.9
205.15912	7.6
207.17496	12.5
209.13246	3.0
211.14821	5.6
213.16338	10.2
215.14473	3.2
215.18030	8.9
217.15872	3.4
219.17526	4.7
223.14824	3.8
225.16498	3.9
227.18016	6.8
229.15858	3.1
229.19560	3.0
231.13849	22.4
231.17354	3.0
233.15448	4.9
233.18857	2.2
239.17920	3.2
241.19542	6.3
245.15353	11.0
247.16969	12.0
249.18539	3.1
253.19591	8.7
255.21011	3.8
259.17123	3.4
259.20453	2.3
267.21088	4.2
273.18661	2.7
287.19830	3.1
299.20065	5.7
313.21716	3.5
349.28934	3.8
389.32043	6.2
395.29581	4.2
407.33157	36.2
408.33215	2.8
409.34604	4.2
435.32462	15.5
439.73871	2.9
453.33649	100.0
454.33893	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05511	16.3
57.07057	6.1
57.57634	3.2
64.25459	3.2
65.03952	3.6
67.05494	22.3
69.07057	26.0
69.46019	23.3
79.05497	16.0
81.07062	59.4
83.08626	11.2
91.05484	16.0
93.07047	33.0
95.08608	78.7
97.10160	8.5
99.08083	19.3
103.11300	3.4
105.07023	55.7
107.08596	53.8
109.10158	40.7
111.08052	6.1
117.07013	7.2
119.08584	100.0
121.10144	49.7
123.08039	3.7
123.11697	27.3
129.06909	4.3
131.08554	32.8
133.10123	59.0
135.11685	46.9
137.13243	16.8
142.07768	4.7
143.08585	19.9
144.09351	6.4
145.10132	50.1
147.11687	43.5
149.13289	24.4
151.11111	3.9
157.10104	25.2
158.10863	4.3
159.11699	62.4
161.09598	3.6
161.13246	43.3
163.07501	8.2
163.14790	16.3
169.10159	6.8
170.10905	6.4
171.11688	17.0
173.13251	25.3
175.14807	29.9
177.16414	12.9
179.14275	6.2
183.11690	8.3
185.13271	20.9
187.14832	34.5
189.12784	4.9
189.16382	78.8
191.14301	8.1
191.17918	44.5
197.13243	9.5
199.14833	37.9
201.16380	44.5
203.14342	6.5
203.17958	35.2
207.17447	9.9
213.16380	16.0
215.14357	7.6
215.17970	9.2
217.15881	21.6
217.19492	8.5
219.17380	4.1
225.16435	6.6
227.17937	7.0
229.19630	5.5
237.14767	7.5
241.19614	4.8
243.21118	21.4
245.15341	15.0
247.13306	7.4
247.17020	5.9
253.19591	5.9
255.21042	15.4
261.14850	10.2
263.16476	13.7
285.18115	3.9
293.51492	3.8
349.29016	4.6
389.31982	9.0
391.33759	5.6
407.33026	13.8
431.59213	3.9
435.32516	36.2
453.33652	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19525	3.7
55.05502	16.7
58.33993	3.9
58.70963	3.9
59.29244	4.0
67.05507	20.0
68.46358	3.9
69.07087	21.3
69.41335	4.0
70.26633	4.0
70.82813	10.7
77.03909	4.8
79.05487	19.0
79.92947	3.9
81.07060	56.8
83.08633	7.6
87.23856	4.1
91.05496	21.8
93.07055	53.4
95.08607	74.8
97.10197	5.2
99.08097	6.5
105.07022	63.2
107.08601	69.9
107.98016	4.2
109.06480	5.8
109.10151	45.8
111.08060	34.6
117.07019	8.5
119.08580	88.0
121.10133	47.2
123.11675	17.1
129.07011	5.4
131.08551	33.4
133.10129	50.6
135.11694	31.7
139.11159	5.5
142.07657	4.8
143.08577	15.2
145.10121	61.6
147.11682	59.5
149.13258	43.2
157.10118	19.3
159.11674	39.8
161.13260	47.1
163.14857	20.7
165.12761	7.2
169.10095	8.9
170.10843	5.3
171.11664	20.3
173.13258	42.5
175.14853	45.0
177.16400	18.5
179.14265	6.8
183.11710	11.8
185.13261	23.0
187.14879	39.7
189.16353	33.9
191.17900	5.9
197.13136	7.1
199.14784	31.5
201.16376	100.0
203.17947	37.4
205.15868	14.3
207.17458	22.1
213.16302	23.6
215.14288	5.3
215.17957	24.1
217.15894	5.1
219.17445	13.8
225.16481	7.7
227.17932	8.8
239.18036	10.5
241.19368	8.7
243.21075	5.9
245.15385	24.3
247.16917	22.2
249.14455	5.5
253.19447	9.6
255.21082	5.5
259.16959	7.5
261.18521	5.1
267.21024	11.4
267.95221	5.0
285.18393	4.7
287.20123	6.0
313.21494	5.6
389.32089	9.9
395.29330	8.1
407.33118	87.8
423.32364	6.9
435.32611	30.9
453.33597	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	453.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26969	0.6
55.40698	0.6
61.47444	0.5
70.78146	1.6
89.06023	0.6
120.02223	0.6
127.28607	0.6
137.75076	0.6
143.23000	0.6
151.01476	0.6
164.75987	0.6
187.03662	100.0
188.03859	0.7
192.84798	0.7
205.04689	0.7
219.87300	0.6
228.06255	3.0
259.83804	0.6
339.28369	0.8
388.69077	0.6
453.33414	41.7
454.33514	1.4
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	Stellettin J
Peak:m/z	Relative Intensity
51.83535	3.1
53.03939	6.2
54.21087	3.3
55.05512	19.2
56.41912	2.8
57.07079	6.5
67.05510	24.2
69.07056	19.8
70.94460	6.6
79.05484	20.0
81.07056	62.4
83.08630	12.3
91.05470	28.8
93.07049	49.6
95.08614	99.6
99.08099	3.9
105.07034	70.8
107.08598	86.9
109.06533	6.9
109.10150	48.0
111.08080	32.5
117.07024	11.5
119.08583	100.0
121.10141	55.0
123.08092	4.6
123.11707	11.5
125.09627	3.7
128.06160	3.4
129.06995	5.2
131.08559	34.5
133.10146	55.3
135.11705	31.7
137.13210	7.4
139.11147	4.4
142.07831	5.5
143.08566	15.1
145.10117	68.9
147.11682	48.3
149.09587	3.5
149.13269	42.0
153.09079	3.8
156.09299	3.4
157.10117	24.6
159.11696	45.2
161.13266	29.5
163.00391	3.4
163.07555	9.3
163.14819	15.1
163.65276	3.4
165.12772	4.4
169.10144	6.6
170.10931	4.3
171.11703	20.4
172.12572	3.7
173.13252	38.6
175.14859	33.9
177.16403	20.3
183.11656	9.6
185.13234	19.5
187.14824	34.9
189.16405	35.1
191.17982	6.4
195.11673	3.8
197.13268	7.1
199.14810	30.2
201.16400	91.4
203.14360	4.7
203.17978	28.4
205.15892	11.9
207.17538	17.2
209.13387	3.8
210.38043	4.0
211.14969	7.7
213.16405	24.2
215.14380	4.0
215.17943	21.2
217.15869	5.2
219.13821	5.5
219.17415	5.4
221.18869	4.0
223.14893	5.2
225.16397	10.1
225.73460	3.5
227.17969	11.6
229.19476	5.0
231.17398	4.4
233.15329	7.3
233.19124	5.1
237.16414	6.0
239.17950	10.4
241.19611	7.7
243.20999	4.1
245.15326	15.7
245.19200	3.3
247.16927	19.5
253.19559	11.5
255.21068	4.0
259.16953	6.6
265.19540	4.0
267.21085	6.7
277.19519	3.7
285.18243	4.8
285.22073	4.3
299.20114	6.0
336.02097	4.0
347.74948	4.2
381.28513	3.6
389.31787	6.2
395.29596	6.9
407.33093	58.7
409.34705	4.2
423.32535	7.4
435.32611	31.3
453.33676	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.4
55.05516	9.1
57.07050	6.2
67.05505	21.2
69.07066	13.8
71.15682	9.3
79.05506	21.7
81.07060	49.1
83.08628	6.8
91.05479	29.3
93.07049	54.4
94.94783	3.8
95.04963	5.8
95.08605	55.6
96.41746	4.1
97.10221	4.0
105.07031	67.3
106.07336	4.1
107.08603	73.0
109.06524	6.9
109.10162	32.0
111.08067	6.1
117.07030	14.2
119.08588	100.0
119.09443	5.3
121.06509	6.4
121.10147	56.5
123.08093	6.4
123.11668	7.3
129.07028	7.2
131.08578	34.1
133.10126	44.5
135.08070	16.2
135.11681	24.7
137.09604	5.3
139.07506	6.2
142.07794	5.8
143.08568	29.7
145.10124	38.7
147.08076	8.5
147.11703	32.7
149.09628	18.2
149.13287	11.1
155.08562	8.0
156.09349	6.5
157.10117	29.5
158.10976	4.9
159.08049	4.1
159.11711	48.6
161.09695	9.6
161.13275	38.5
163.11208	6.6
163.14835	20.0
164.82007	3.7
169.10138	11.1
170.11018	5.1
171.11681	27.4
173.13298	37.8
175.11220	10.9
175.14828	63.5
177.12744	4.6
177.16405	32.8
179.10785	3.8
181.10178	5.1
183.11748	12.7
185.09593	4.6
185.13298	27.0
187.11227	4.2
187.14824	26.6
189.12819	12.3
189.16400	21.1
191.14319	6.5
191.17976	18.6
193.12314	3.5
197.13368	8.6
199.11153	4.5
199.14832	20.7
201.12717	18.0
201.16438	15.6
203.14352	21.3
203.18068	5.0
205.15866	11.8
207.11588	3.6
209.13300	7.2
211.14839	7.1
213.12752	7.8
215.14261	9.4
215.17999	5.4
217.12251	17.3
217.15936	12.4
219.13835	11.0
221.15340	8.8
223.10777	3.7
227.14380	3.9
227.17850	4.6
229.19687	4.5
233.15317	7.8
237.16354	7.0
239.18034	8.6
241.15912	5.8
241.19601	8.3
245.15503	5.0
249.15021	5.4
253.19481	9.5
255.21205	7.1
267.17560	7.6
267.21121	5.0
271.20593	12.1
299.32443	4.5
332.24673	4.0
341.92383	4.2
361.29028	5.9
365.28348	12.9
371.27130	7.5
375.17169	4.1
379.30069	13.5
389.28146	28.0
407.29422	92.9
417.27527	8.7
435.28452	32.9
453.29050	72.1
453.34607	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	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.2
67.05500	21.2
69.07067	22.9
71.04962	3.8
71.31226	6.6
79.05493	23.2
81.07058	43.6
83.04990	4.9
83.08607	10.7
91.05476	34.9
93.07040	36.9
95.08613	50.4
97.06490	5.2
97.10181	6.1
105.06366	6.9
105.07034	85.8
107.08589	51.8
109.06512	13.4
109.10143	26.8
111.08066	5.0
115.05502	3.7
117.07025	13.6
119.08585	100.0
121.06518	7.5
121.10160	31.3
123.08079	8.1
123.11694	12.2
129.07007	11.0
131.08574	32.6
133.06479	5.0
133.10130	38.9
135.08041	11.4
135.11674	19.1
142.07774	4.8
143.08630	16.9
145.10144	28.4
147.08038	14.1
147.11687	35.8
149.09615	10.1
149.13245	11.5
151.11157	4.1
155.08505	5.3
156.09273	5.0
157.10104	18.9
159.08028	6.0
159.11710	21.0
161.09589	8.4
161.13275	22.3
163.07625	3.4
163.11159	3.5
163.14766	5.3
165.09148	3.6
169.10210	4.1
171.11661	22.7
173.13220	24.0
175.11055	7.9
175.14825	32.4
177.16403	11.7
183.11728	9.4
185.13252	23.5
187.11168	5.7
187.14780	33.3
189.12781	31.4
189.16414	28.4
191.14296	36.0
191.17940	11.5
197.13399	4.5
199.11189	4.0
199.14825	14.7
201.12724	5.8
201.16420	5.5
203.14354	20.1
203.17836	4.1
205.15912	28.4
213.16331	12.5
215.14316	7.5
217.12259	49.8
217.15872	12.0
219.13802	10.9
223.14597	3.9
231.13834	4.6
233.15378	10.9
239.18121	4.4
243.17410	4.5
245.15579	6.5
251.17889	4.2
253.19614	4.6
263.16339	4.3
283.00122	4.2
389.28418	10.9
401.65399	3.8
407.28870	23.9
407.33844	6.7
435.33194	21.8
453.29633	53.7
453.34158	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	453.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44052	3.3
55.05518	18.1
57.07075	6.1
67.05510	25.2
69.07062	27.7
69.59854	25.8
79.05486	26.5
81.07051	52.3
83.08601	10.2
88.16253	3.9
91.05484	33.2
93.07034	52.1
95.04961	10.5
95.08035	6.2
95.08601	76.9
97.06536	6.2
105.07027	68.3
107.04900	4.3
107.08591	70.7
109.06508	8.5
109.10150	34.6
111.08089	7.7
117.07013	12.5
119.08571	100.0
121.06522	9.9
121.10142	45.5
123.08031	7.4
123.11686	16.0
125.09619	5.1
128.06181	3.9
129.06976	8.5
131.08556	37.4
133.10135	58.5
133.68460	4.3
135.08047	13.4
135.11691	38.4
137.09613	7.0
137.13257	6.5
141.06996	4.7
142.07776	5.5
143.08551	17.4
144.09332	5.0
145.10117	59.9
147.08076	6.4
147.11685	45.2
149.09621	6.3
149.13243	24.6
151.11194	5.0
153.09067	4.6
155.08566	9.9
156.09332	7.3
157.10130	29.2
158.10860	5.0
159.08051	8.2
159.11667	44.0
161.09583	7.9
161.13237	42.6
163.07562	4.5
163.14804	30.3
165.12724	4.4
168.09468	4.5
169.10031	8.6
171.11684	34.7
173.09627	5.5
173.13235	49.1
175.11205	6.2
175.14807	28.4
177.16351	9.9
181.10106	7.6
183.11673	17.6
185.09674	3.8
185.13197	30.6
187.11179	6.7
187.14824	29.4
189.12737	13.3
189.16357	30.1
191.14275	14.2
191.17941	10.2
193.15825	3.7
195.11705	7.7
197.13252	11.8
199.11234	4.5
199.14804	19.2
201.12706	28.2
201.16411	22.5
203.10663	3.4
203.14304	10.0
203.17911	11.3
209.13266	7.3
211.14859	7.9
213.12801	6.4
213.16383	16.5
215.14340	8.9
215.17923	13.4
217.12213	20.8
217.15762	6.5
219.13756	11.4
219.17368	5.1
221.15379	4.6
223.14798	5.7
225.16383	6.5
227.17917	10.4
229.19580	9.0
235.13319	6.6
237.16418	5.4
239.17975	8.0
241.19423	8.0
245.15337	7.7
247.16971	5.8
249.16400	4.3
253.19453	11.1
255.13930	4.1
267.20981	8.2
269.19040	5.0
271.20551	6.1
273.18439	4.8
299.20007	9.1
301.21713	5.3
311.20117	5.0
313.21497	5.8
371.26990	5.6
383.42532	4.0
389.28247	23.5
393.27802	7.4
407.28577	31.3
407.33270	14.4
417.27902	10.1
425.30328	4.2
435.28329	18.0
435.32608	24.4
453.29239	42.4
453.33749	66.9
467.92422	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	453.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05503	1.8
57.07103	0.5
61.54176	0.4
65.26201	0.5
67.05495	1.5
69.03431	0.8
69.07051	1.7
70.93848	0.4
71.34280	0.6
76.99840	0.5
78.68917	0.4
79.05489	1.6
81.03385	0.6
81.07045	3.6
83.08603	1.0
85.02877	1.0
89.88822	0.4
91.05468	1.6
93.07047	2.9
95.04964	0.6
95.08604	4.4
97.02881	0.8
97.06526	1.0
98.97569	0.6
100.11264	2.3
105.07024	3.7
107.08598	3.7
109.06551	0.6
109.10165	3.0
111.00564	1.5
117.07008	0.9
119.01939	0.7
119.08572	4.1
120.63265	0.4
121.10131	2.6
123.11697	1.2
127.03948	0.5
131.08582	2.0
133.10129	2.1
135.08038	0.5
135.11694	1.8
143.03142	0.7
143.08562	1.6
145.10153	3.1
147.11699	2.0
149.13287	0.7
157.10121	1.2
158.10945	0.4
159.11705	2.5
161.13260	1.4
163.14873	1.0
165.09108	0.8
167.07031	1.3
167.43724	0.4
171.11632	0.7
173.13274	2.0
175.14851	1.3
177.16441	0.5
182.15434	1.1
183.11806	0.4
185.04137	0.8
185.13203	1.0
187.14825	1.6
189.16475	2.2
191.17940	1.4
199.14854	1.3
201.16412	1.5
203.05284	8.1
203.10455	7.0
203.18033	1.5
205.19473	0.5
209.16504	1.3
210.14879	1.0
211.14809	0.5
217.15793	0.4
226.19237	0.6
229.06839	0.6
229.11996	1.7
245.15367	0.6
247.11633	2.4
252.09367	0.5
265.12836	1.2
273.10898	0.8
289.12851	1.5
291.12061	9.3
296.11426	0.6
307.13931	1.3
333.11676	0.6
389.32104	0.5
407.33060	0.7
409.18393	3.1
435.33115	2.2
453.17310	100.0
453.34149	7.8
454.17215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42597	1.1
56.67663	1.0
56.96568	19.1
66.82622	1.1
67.35705	1.1
69.91566	2.3
69.91965	2.2
79.05496	1.9
84.96037	1.6
89.03917	11.8
98.97588	5.8
107.04948	2.5
111.11430	1.0
116.98592	2.3
117.03377	12.4
124.99130	3.2
128.98547	1.6
135.04416	25.4
141.02203	1.2
143.00160	7.6
145.02864	17.1
149.07074	1.0
158.99577	1.3
161.01225	6.5
163.03909	100.0
164.04175	1.4
166.48160	0.9
169.01797	1.0
170.99580	2.1
185.01311	1.5
187.02745	2.3
189.00717	3.7
191.00056	1.4
193.01797	2.7
200.98663	1.6
203.02293	2.0
209.01234	2.8
211.02821	1.2
213.00648	2.2
218.99670	6.1
219.01649	2.1
227.02060	1.3
231.01826	2.2
236.98317	2.2
237.00711	36.3
237.02785	1.5
249.02704	1.9
255.01782	23.3
273.02798	13.8
279.07495	2.6
281.81769	1.0
287.02289	1.7
291.04047	1.4
297.02740	1.2
315.01666	3.5
323.04327	1.1
333.02786	2.1
347.04218	2.1
349.02319	1.3
365.05292	1.8
375.03821	3.2
393.05045	12.8
393.10300	2.2
394.05438	1.2
411.06030	17.3
411.11264	2.1
429.07059	23.7
430.07401	1.1
453.06879	5.3
453.13611	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	453.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22718	1.6
52.39550	1.6
55.05505	4.2
56.96288	3.7
56.96566	72.2
60.04525	3.1
66.09106	1.7
69.49848	14.0
74.97616	2.0
83.08611	1.7
84.96029	4.5
85.02901	4.8
89.03912	5.5
91.05456	2.3
98.97578	14.8
100.11269	15.1
110.07142	2.2
110.97542	3.0
112.99157	6.5
116.98625	6.1
117.03393	3.7
120.08108	3.2
124.99075	10.1
131.00198	9.0
134.99635	3.6
135.04366	9.5
141.02205	9.5
143.00172	23.1
144.04755	4.0
145.01787	3.1
145.02879	5.8
146.99667	2.0
147.04453	5.7
149.01184	3.4
157.01753	4.0
159.03273	17.6
161.01234	21.1
163.03894	29.4
166.08643	2.4
167.00150	3.7
169.01698	8.6
170.99648	4.0
175.00699	6.6
179.02271	2.9
185.01195	13.8
186.99202	3.5
187.02715	14.5
189.00735	5.2
191.00134	3.8
193.01732	15.1
194.99658	3.6
203.02272	24.8
205.00169	6.2
205.03883	3.7
206.99731	3.5
209.01250	11.0
209.16467	4.3
211.02826	15.7
213.00740	14.2
218.99622	12.6
219.01556	2.6
221.03278	12.4
225.00565	2.7
227.02242	3.6
227.17485	20.9
229.03802	4.4
231.01756	28.5
237.00723	29.9
237.02977	2.6
249.02823	21.3
255.01776	100.0
267.04022	2.3
273.02811	94.2
278.03387	3.3
291.03955	3.2
296.04309	2.4
307.10205	2.6
323.04257	8.8
331.04922	2.9
347.04413	3.4
349.02106	3.2
349.05951	6.4
365.05347	6.9
367.03244	9.0
375.03745	8.9
390.05396	2.0
393.04929	30.5
411.06015	53.5
429.07098	32.4
434.07446	3.1
453.06973	15.5
453.13904	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	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.01856	5.9
55.05511	2.4
56.05568	1.4
57.03424	4.9
61.02920	2.9
67.05497	4.5
68.72702	1.4
68.99783	1.6
69.03069	1.8
69.03431	27.4
69.07070	3.0
69.37007	11.6
71.04994	16.8
71.08633	12.5
73.02901	4.5
79.05487	2.8
79.39196	1.1
81.02982	1.3
81.03427	19.1
81.07060	9.0
82.07376	1.2
84.51395	1.3
85.02906	62.3
85.06497	1.2
87.00835	33.7
91.05456	2.5
93.07030	3.5
95.08588	4.4
97.02892	28.9
97.06519	2.8
99.04443	8.0
99.08097	12.0
105.01871	32.6
105.07034	4.8
107.08598	4.1
108.08878	1.3
109.02882	33.7
109.10142	7.0
119.08587	3.4
120.08848	1.7
121.10154	2.9
125.29550	1.4
127.03924	54.0
129.01817	2.3
131.08501	2.5
133.10130	10.2
141.12750	86.0
143.08612	1.7
145.04938	14.3
145.10136	3.3
147.11707	3.4
151.11157	3.8
159.02867	7.0
159.11676	1.5
163.03813	2.1
169.12245	100.0
173.13257	2.9
187.13292	12.0
187.14795	2.0
189.03973	2.5
189.16400	1.9
190.16862	1.6
213.04044	6.5
213.16591	1.3
215.14401	1.7
231.05017	18.6
249.06207	2.8
259.09662	2.5
260.10016	3.3
294.24637	1.3
295.15466	2.1
452.32199	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	452.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24323	1.0
53.03930	4.9
55.01864	5.0
55.05502	2.1
57.03426	4.6
57.07079	1.5
58.45473	1.2
59.04995	13.4
61.02935	2.9
67.05499	4.9
69.03430	23.6
69.07067	4.5
71.04999	9.2
71.61407	1.6
73.02908	4.5
79.05494	6.3
81.03424	18.8
81.07058	24.1
83.01294	1.3
83.08603	3.1
85.02905	46.8
85.06544	4.7
87.00834	15.9
87.04475	9.2
91.05479	2.7
93.07027	4.1
95.04953	3.6
95.08594	4.4
97.02885	16.5
97.06533	11.5
98.97577	2.5
99.04457	9.0
99.08097	1.6
101.05986	1.3
103.19598	1.4
105.01865	14.0
105.07003	4.1
105.44238	1.1
107.04892	1.3
107.08603	7.6
109.02895	17.3
109.06504	3.5
109.10156	13.7
110.10514	1.7
111.08071	3.2
115.07544	1.4
117.01854	2.2
121.06514	1.6
121.10154	3.2
123.11706	16.3
125.09663	2.5
127.03919	34.0
127.11205	1.7
129.01859	2.4
133.10135	4.6
139.11179	4.9
143.10718	1.1
145.04959	16.2
145.10086	1.3
148.53619	1.0
151.11176	24.4
153.12766	2.1
157.12253	4.8
159.02878	12.0
160.19650	1.0
169.12238	100.0
187.13284	21.4
187.14935	1.3
211.09666	1.3
213.03867	1.6
231.05051	6.4
452.20947	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	452.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.05029	0.9
56.96561	1.6
57.03435	1.4
61.02934	0.5
65.03926	0.8
67.05496	1.0
69.03424	3.1
69.37728	2.6
69.38145	1.0
71.04988	0.6
72.08165	0.5
73.02905	1.3
79.05466	0.5
80.05016	0.5
80.06017	0.4
81.03431	0.9
81.07030	0.7
82.06586	5.6
84.08138	3.8
84.97073	0.5
85.02908	4.4
87.04453	0.9
91.05480	3.3
91.91557	0.4
95.04978	0.5
95.08590	0.5
97.02901	2.9
98.97569	2.2
105.07009	0.7
108.08112	1.7
109.07629	0.8
110.06016	0.9
112.07579	0.5
115.03960	1.3
116.98620	0.8
117.05779	0.6
118.06537	0.7
119.04915	0.7
122.06031	1.9
123.04407	0.4
124.85670	0.4
127.03949	1.1
127.08641	1.0
128.98637	0.5
130.12274	0.6
133.05042	0.8
134.05995	1.1
136.07574	26.0
137.07095	29.7
139.08638	1.2
140.07082	1.2
143.00142	0.7
145.05011	1.0
146.06006	47.2
147.06750	0.8
148.07573	1.0
151.08694	2.6
152.06998	0.7
153.05486	0.5
154.08615	9.3
158.99658	0.6
161.05930	0.7
161.07126	4.4
163.08665	4.3
163.57071	0.4
164.07060	24.9
169.29166	0.5
177.05444	0.6
179.08133	1.0
181.09709	0.5
184.58444	0.5
189.06581	4.8
199.08772	0.6
199.12320	0.6
201.10191	1.2
203.07562	1.2
207.07730	0.7
215.11856	1.4
219.01782	0.9
227.11800	1.8
229.13399	1.2
233.20511	0.4
237.02858	1.4
239.02284	1.2
240.02635	0.6
243.09021	0.6
243.11288	0.8
244.14462	4.9
254.12814	0.8
255.11229	2.1
257.03360	1.4
258.05786	0.7
263.08511	0.5
269.09729	2.9
269.59775	0.6
272.13931	13.7
273.12344	0.5
290.10352	0.6
290.14996	3.7
316.13892	10.7
326.12277	9.1
326.15692	0.6
343.15042	0.6
383.06476	1.0
424.10818	0.4
434.19122	1.0
452.20285	100.0
453.20602	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	452.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50640	6.2
55.01867	7.9
56.96564	23.8
57.03436	31.7
57.62819	6.1
59.24533	5.4
61.02914	7.4
66.18610	6.9
69.03430	89.4
71.59978	9.8
73.02912	13.1
85.02910	69.4
87.04476	64.0
97.02908	84.9
98.97588	15.3
109.02895	54.1
109.90735	6.4
110.96594	6.1
115.03947	92.2
123.04427	16.2
124.77374	7.4
127.03938	39.4
128.04260	15.5
133.02852	18.3
133.04996	100.0
137.05986	11.0
141.05479	37.5
145.04950	13.3
147.04401	19.6
150.07626	15.2
161.01216	8.8
163.03905	17.9
164.22522	7.0
165.05464	35.7
177.05443	20.8
201.02133	7.7
207.06468	6.6
219.06427	10.0
237.02902	9.1
237.07481	23.8
255.01627	11.5
267.08731	10.4
271.09149	6.8
273.02768	12.9
376.19992	6.5
452.12213	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	451.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01876	5.8
55.05511	4.9
57.07083	17.3
65.03933	1.1
67.05517	2.7
69.03444	1.7
69.07081	9.2
70.62974	2.3
71.08278	1.4
71.08640	14.9
79.05497	2.7
81.07085	7.1
83.04990	1.4
83.08617	4.6
85.06570	1.2
85.10183	7.6
89.06047	1.3
91.05481	2.5
91.16908	1.1
93.07051	4.1
95.04988	1.7
95.08627	6.6
97.06546	2.2
97.10176	3.2
99.04451	1.5
99.11724	1.7
105.07050	1.6
107.08604	4.9
109.10182	3.5
111.08115	2.3
111.11745	1.4
113.02402	2.8
119.08591	2.9
121.02879	1.3
121.06525	1.3
121.10172	3.3
123.04359	1.5
123.08077	1.6
123.11703	1.2
125.02364	100.0
127.03912	1.6
130.14668	1.1
133.08575	1.3
133.10129	1.6
135.08051	2.1
135.11664	2.3
137.02371	2.4
137.13278	1.3
139.03923	8.4
139.07532	2.0
139.84720	1.0
145.10135	2.3
147.11635	1.3
149.02345	9.5
149.09573	1.3
153.05434	2.6
155.03395	1.6
159.11789	2.1
163.07524	2.4
167.03410	18.6
167.07127	5.5
173.04495	5.6
175.14946	1.3
175.68100	1.1
177.09145	2.2
181.08598	6.3
185.04468	71.9
191.06982	1.8
191.18018	1.4
195.10202	2.8
199.06036	5.1
205.12141	1.4
209.11745	1.8
213.07582	4.1
226.07127	1.8
227.09151	4.3
237.14639	1.4
241.10732	7.6
251.16295	1.6
255.12213	7.2
259.12735	1.1
265.14609	1.3
265.17953	1.4
269.13818	6.2
279.19595	1.3
283.15305	6.8
297.16949	7.6
311.18521	7.7
325.20084	8.0
339.21808	7.2
353.23209	6.3
367.24707	4.6
381.26407	4.5
395.27844	4.6
433.36996	2.4
451.34268	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	451.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26737	1.0
53.03936	2.0
55.01870	5.9
55.05518	5.5
57.07078	20.4
58.88320	1.1
67.05508	5.5
69.03419	1.2
69.07076	9.4
70.72737	2.1
70.73103	2.4
71.08637	16.5
79.05486	3.8
81.07060	7.3
83.04962	1.2
83.08640	5.5
85.06512	1.4
85.10184	8.1
89.06012	2.5
91.05441	2.8
93.03406	1.5
93.07022	4.1
95.04975	1.8
95.08582	5.0
97.06517	3.1
97.10159	3.6
99.08110	1.2
105.07025	4.1
107.04955	1.6
107.08607	5.5
109.06491	1.2
109.10139	5.4
111.11679	1.5
113.02370	1.5
113.05980	3.7
113.31813	1.0
117.07031	1.0
119.08575	5.2
121.06480	3.0
121.10137	3.6
123.04464	2.2
123.08073	2.3
123.11663	1.3
125.02357	100.0
125.05995	10.8
125.13194	1.2
127.03918	1.8
131.08578	2.8
133.08656	1.2
133.10112	3.3
135.08029	2.0
137.02335	2.0
139.03917	9.7
139.07526	4.2
143.08528	1.9
145.10126	3.2
146.37506	1.1
147.11621	2.0
149.02330	7.9
149.06013	2.3
149.09584	3.1
151.07492	1.8
153.05466	4.7
153.09114	2.1
155.03351	1.3
155.06955	1.5
157.10133	1.8
159.11720	2.7
161.13235	1.8
163.07574	2.3
163.14810	1.6
167.03403	20.9
167.07079	7.0
171.11632	1.9
173.04454	3.6
173.13257	1.9
175.14836	2.0
177.09085	3.1
181.08661	6.1
181.10081	1.7
185.04465	74.2
185.13223	1.0
187.14813	1.2
195.10149	3.3
197.13174	2.0
199.06013	5.2
199.14809	1.5
203.05499	1.2
209.11664	2.8
213.07622	2.3
223.09702	1.4
223.13348	1.9
226.07045	1.5
227.09122	5.1
236.64082	1.1
237.14853	1.9
241.10730	6.7
251.16464	2.2
255.12227	4.9
269.13831	4.4
279.15897	1.3
279.19547	3.0
283.15347	5.6
297.16888	6.8
311.18561	7.3
325.20129	7.5
339.21628	5.8
353.23206	5.1
367.24905	2.7
381.26379	3.3
391.32111	2.1
395.28003	3.0
405.36670	1.4
433.36795	15.6
451.33838	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	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.37149	0.9
53.03938	1.5
55.05509	8.3
57.07072	2.9
62.45514	1.2
65.03944	1.0
66.13499	0.9
67.05497	10.0
69.03422	1.4
69.07062	13.0
70.04076	1.1
70.04376	4.9
79.05475	10.7
81.07055	23.3
83.05025	0.9
83.08617	5.0
85.06554	2.0
91.05468	13.0
93.07043	23.7
95.04988	1.3
95.08604	34.5
97.06538	2.8
97.10157	1.6
98.97569	1.3
99.08094	2.4
105.07032	26.2
107.08591	31.6
109.06538	1.6
109.10152	14.9
111.08101	2.5
117.07024	3.7
119.08578	49.3
121.10138	26.2
123.11684	8.0
125.05993	1.2
129.06996	3.4
130.07799	2.3
131.08568	17.9
133.10130	24.0
135.08018	1.7
135.11693	16.8
137.13258	6.3
139.07559	1.2
139.11205	1.3
141.06984	1.5
142.07785	4.2
143.08556	14.7
144.09314	3.0
145.10120	31.5
147.08022	1.5
147.11687	15.6
149.13243	8.3
151.14789	1.2
154.85780	1.1
155.08586	4.9
156.09329	3.5
157.10124	17.9
158.10931	2.7
159.08084	1.4
159.11684	27.0
161.09642	1.9
161.13255	15.9
163.07506	3.4
163.11079	2.8
163.14807	5.3
164.19632	1.1
165.07109	1.0
165.12770	1.0
168.09381	2.4
169.10075	8.8
170.10922	3.2
171.08110	1.1
171.11694	14.6
172.12451	1.5
173.13268	17.1
175.11287	1.7
175.14844	9.8
177.12764	4.1
177.16388	4.4
179.14305	3.0
181.10123	3.7
181.12210	6.5
182.10907	2.3
183.11670	13.3
184.12569	1.0
185.09622	1.9
185.13280	11.4
187.14818	20.4
189.12726	1.8
189.16377	13.9
191.14314	1.5
191.17961	4.4
193.10136	1.1
195.11699	5.6
196.12656	1.3
197.13254	13.2
199.14835	17.7
201.09062	1.0
201.12770	3.6
201.16405	16.3
203.10654	1.9
203.14352	2.7
203.17935	6.8
205.15921	1.7
207.11673	1.8
207.17471	1.3
209.11700	2.9
209.13448	6.0
209.15004	1.1
210.14104	1.3
211.14799	9.4
212.15627	6.2
213.12839	1.1
213.16351	13.2
215.14351	3.5
215.17952	6.5
217.12219	1.2
217.15884	2.6
217.19446	1.2
219.13863	1.8
221.13173	1.7
222.14049	1.0
223.14816	3.2
224.15546	1.3
225.12788	1.3
225.16388	4.8
227.14372	1.7
227.17891	4.4
229.12276	1.8
229.19528	1.6
231.13860	1.9
231.17534	1.1
235.14803	3.1
237.16486	2.4
239.17941	3.8
241.19531	3.5
243.13840	3.6
243.21165	1.5
245.15355	5.6
247.13284	3.0
247.17056	2.2
249.16443	2.3
251.17950	5.3
253.15985	1.1
253.19501	5.1
255.13876	1.3
255.17482	2.1
255.21117	12.0
257.15436	5.5
259.09637	1.9
259.17062	1.4
263.17947	1.8
265.19424	4.9
267.21179	3.5
269.19022	1.3
271.16953	1.9
273.18604	1.7
279.21039	2.0
285.18512	1.1
291.21057	1.2
295.16901	1.4
297.18518	5.6
299.20074	2.3
303.21213	1.5
311.20117	3.7
312.20728	1.2
317.22620	1.1
345.25754	1.6
351.23349	1.5
374.38306	1.0
387.30576	6.1
389.31946	3.5
405.31479	17.1
407.33246	2.8
409.27261	1.3
433.31085	24.0
451.32080	100.0
452.32443	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	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03957	2.8
55.05499	9.3
56.06044	2.0
57.03464	2.6
57.07066	3.0
67.05505	14.4
68.62618	2.0
69.07069	16.3
69.57666	10.9
69.58064	3.6
71.44083	1.9
79.05489	12.7
81.06634	2.8
81.07060	26.4
83.08610	7.7
91.05470	17.9
93.07042	30.8
95.04917	2.5
95.08610	40.9
97.10162	3.3
99.08097	3.0
105.07035	34.7
107.08595	38.0
109.06532	3.0
109.10162	24.3
111.08060	2.9
117.07010	11.1
119.08582	75.1
121.04695	2.5
121.10150	35.9
123.08090	4.1
123.11701	11.5
129.06984	6.7
130.07735	3.3
131.08563	27.9
133.10144	37.8
135.08040	2.4
135.11711	22.8
137.13254	5.6
141.06927	2.7
142.07771	4.5
143.08575	19.1
143.90340	2.3
144.09319	5.4
145.10126	59.6
147.11710	22.5
149.13257	9.1
153.09186	2.6
155.08578	6.0
156.09355	5.4
157.10123	23.6
158.10887	4.8
159.11696	42.4
161.09625	3.0
161.13257	21.0
163.07559	5.0
163.11111	3.6
163.14867	4.0
168.09280	3.1
169.10136	14.2
170.10890	4.9
171.11697	20.0
173.13269	21.5
175.07576	2.4
175.11246	3.6
175.14832	16.5
177.12767	10.5
177.16370	7.1
179.14302	4.3
181.10101	4.8
181.12279	4.2
182.10805	2.5
183.11635	17.2
184.12395	2.8
185.13216	17.1
187.14830	45.6
189.12758	3.2
189.16370	17.6
191.14305	2.7
191.17941	4.0
193.30656	2.2
195.11728	7.7
197.13268	14.9
199.14822	26.8
201.16393	27.2
203.17972	9.6
205.15906	3.3
205.81859	2.3
207.17438	3.2
209.13251	8.4
211.14803	17.9
212.15637	7.1
213.16414	20.7
215.18010	9.2
217.15767	4.5
219.13785	3.7
221.13170	3.5
223.14848	7.1
225.16396	7.7
227.17908	12.1
229.19434	3.7
237.16443	6.5
239.18001	6.6
241.19467	4.3
243.13942	6.1
245.15392	10.8
249.16422	3.3
251.17941	6.3
253.19701	3.7
255.21140	12.9
257.15405	9.4
265.19571	7.4
267.21133	5.8
297.18500	8.6
311.20117	4.4
331.23901	2.4
387.30347	5.8
405.31454	20.7
433.30960	31.6
451.32065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03947	2.2
55.05499	6.2
57.07059	5.0
67.05501	10.9
69.07068	12.6
79.05489	13.4
81.07048	23.4
83.08615	4.8
86.07742	1.4
91.05471	12.7
93.07044	24.2
95.08605	37.2
97.06499	2.0
97.10147	1.7
99.08064	2.0
105.06369	2.3
105.07029	28.4
107.08595	37.5
109.06518	2.1
109.10151	20.7
111.08054	3.6
117.07011	6.4
119.08582	61.7
121.10137	29.2
123.11705	7.6
124.88305	1.3
128.06209	3.2
129.07018	5.4
130.07805	2.7
131.08565	17.4
133.10121	31.7
135.11710	18.5
137.13237	5.1
141.07079	1.7
142.07771	3.8
143.08551	14.8
143.76199	1.4
144.09332	4.8
144.64827	1.6
145.10127	37.9
147.11710	16.8
149.13297	9.2
151.07536	2.0
151.11252	2.8
152.36636	1.4
155.08524	5.3
156.09322	4.8
157.10120	19.3
158.10913	2.7
159.11697	29.6
161.09552	1.4
161.13252	15.6
163.03915	3.4
163.07520	5.6
163.11185	2.7
163.14864	4.6
167.08528	1.9
168.09258	2.2
169.10130	13.4
170.10919	4.4
171.11687	18.6
172.12422	2.9
173.13260	17.3
175.14825	12.1
177.12753	4.0
177.16347	5.9
179.08568	1.8
179.14319	3.4
181.10143	4.0
181.12207	6.5
182.11015	1.7
183.11670	17.7
184.12460	2.9
185.13255	13.7
187.14839	23.4
189.09190	1.7
189.12752	1.8
189.16359	11.7
191.14346	2.4
191.17926	3.5
195.11685	5.2
196.18513	1.5
197.13264	15.7
198.14088	1.7
199.14833	23.9
201.12860	1.7
201.16370	18.2
203.10612	2.5
203.18008	5.9
205.12271	2.1
205.15823	2.8
206.00049	1.5
207.11745	2.4
207.17393	2.2
209.11546	2.6
209.13277	6.6
211.14807	13.6
212.15620	7.5
213.16368	18.1
215.14348	2.5
215.17941	8.6
217.15874	2.3
219.13905	2.2
221.13214	4.0
223.14822	5.2
225.16342	8.4
227.10663	1.8
227.14349	1.9
227.17937	7.3
229.12268	3.6
229.15947	2.4
229.19522	4.9
231.13896	1.7
231.17497	1.8
235.14772	2.1
236.15698	1.9
237.16389	3.4
239.17978	3.4
241.15927	1.9
241.19592	4.0
243.13864	3.6
243.21129	4.0
245.15292	7.8
247.17094	2.4
251.17888	12.1
253.19630	5.3
255.21016	13.7
257.15359	6.8
259.09634	3.2
263.18036	2.1
265.19482	4.3
267.21115	6.1
269.18982	2.9
271.16895	2.3
279.21045	2.5
281.22644	2.1
283.16867	2.9
285.18610	2.5
297.18549	8.2
299.20129	3.6
305.22418	2.3
311.20172	4.5
347.27451	2.1
349.21420	2.1
363.23129	1.7
377.24408	1.5
387.30573	5.7
389.32101	4.7
405.31445	16.6
407.33060	3.1
433.31039	27.1
451.32086	100.0
452.32263	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	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05497	11.1
55.14749	2.4
57.07059	4.7
62.13079	2.5
66.93073	2.7
67.05504	10.4
69.07076	19.2
70.79866	5.5
70.80238	5.3
75.90677	2.7
79.05515	13.1
79.60168	2.5
81.07058	24.6
83.08630	7.4
91.05472	16.9
93.07028	23.4
93.57907	2.9
94.94330	2.6
95.08606	32.6
97.10165	4.6
99.08101	5.0
99.08762	2.2
105.07033	30.1
107.08599	34.7
109.06557	4.8
109.10159	17.9
117.07000	6.8
119.08582	67.2
121.10149	29.4
123.08081	3.3
123.11699	9.2
129.06999	4.7
130.07777	2.5
131.08546	23.1
133.10114	26.5
135.11685	19.2
137.13234	6.2
142.07701	4.0
143.08572	13.6
144.09323	3.4
145.10117	40.4
147.11697	21.1
149.13235	9.3
155.08578	6.6
156.09288	3.0
157.10143	23.6
158.10916	3.3
159.11725	29.6
161.13274	16.4
163.07576	6.5
163.14818	5.5
169.10147	9.7
170.10944	3.7
171.11662	17.7
173.13231	19.6
175.14874	12.6
177.12837	4.4
177.16411	4.0
181.10164	4.3
181.12247	7.6
182.10899	3.9
183.11610	15.2
185.13216	12.7
187.14781	34.4
189.16345	13.1
191.10707	3.6
191.14348	2.8
194.11028	3.5
195.11673	4.1
196.12523	3.6
197.13297	15.9
199.14803	26.2
201.12807	4.3
201.16321	16.4
203.10648	3.6
203.17963	6.5
209.11635	3.4
209.13358	6.5
211.14771	12.6
212.15599	8.9
213.16373	22.5
215.18015	7.4
217.15910	3.3
221.13284	4.2
223.14806	5.9
225.16409	5.9
227.17995	6.1
237.16513	3.5
239.17848	4.1
241.15747	3.1
241.19485	4.8
243.84962	2.8
245.15430	6.9
247.16843	4.4
251.18005	5.6
253.19524	4.3
255.21132	20.8
257.15381	7.7
265.19559	7.1
267.21027	7.1
269.18945	3.2
297.18704	6.6
299.16367	3.8
299.19913	4.0
387.30521	6.7
389.32162	5.8
391.60895	2.5
405.31671	17.7
409.27301	3.1
433.31055	24.5
451.32114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05505	5.6
57.07058	3.2
65.08474	1.5
67.05513	8.4
69.07063	7.6
69.57873	9.1
71.08646	1.5
74.08233	1.4
79.05495	7.2
81.07053	21.1
83.08601	5.3
88.79358	1.3
89.98389	1.5
91.05473	9.1
93.07047	22.5
95.08043	2.3
95.08611	29.3
99.08103	3.8
105.07042	22.4
107.08592	29.1
107.82389	1.5
109.10159	12.8
109.45494	1.4
111.08066	2.7
117.07036	4.9
119.08582	43.1
121.10149	26.9
123.08016	2.0
123.11707	8.4
128.06282	1.5
129.06982	3.1
131.08580	13.3
132.19258	1.9
133.10114	18.6
135.11696	14.3
137.13255	4.0
142.07790	3.9
143.08591	11.3
144.09218	2.1
145.10109	27.6
147.11743	12.8
149.13255	8.0
155.08588	5.2
156.09341	4.2
157.10120	14.7
159.11711	21.6
161.09550	1.9
161.13237	12.0
163.07529	4.6
163.11224	2.3
163.14844	4.0
169.10143	7.7
170.10930	2.6
171.11716	12.5
173.13280	10.8
175.14761	8.6
177.12752	2.2
177.16394	4.5
181.10153	3.1
181.12233	9.5
182.10938	3.2
183.11694	10.8
185.13251	11.5
187.11086	1.9
187.14816	17.3
189.09225	1.7
189.16359	11.5
191.14355	2.3
191.17937	1.9
195.11739	5.8
196.12523	1.6
197.13315	14.3
198.13998	2.8
199.14841	15.4
201.16359	11.6
203.17989	3.7
208.12555	1.9
209.11713	5.5
209.13359	4.3
211.14861	10.6
212.15594	7.8
213.16356	20.4
215.17987	6.0
217.12279	2.1
223.14857	3.4
225.16362	5.1
227.14368	2.0
227.17947	4.7
229.12239	2.6
229.19452	3.9
235.62256	1.7
237.16408	4.7
239.17886	4.2
241.15851	2.1
241.19525	3.8
243.21104	3.2
245.15332	4.4
247.13014	1.7
251.17950	5.9
253.19472	3.2
255.21086	17.0
257.15375	6.3
263.17804	1.6
265.19534	4.8
266.20303	1.8
267.21060	3.3
271.17007	2.0
277.19540	2.1
283.17068	2.6
285.18475	2.8
297.18536	5.7
299.16415	1.8
311.20212	3.2
387.30487	3.9
389.31952	2.9
405.31598	13.5
407.33246	2.0
433.31055	25.3
451.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76720	1.3
53.03923	1.6
55.05509	7.2
56.93388	1.5
57.07072	2.2
67.05502	10.0
67.48882	1.5
69.07054	9.3
69.57454	9.0
73.89758	1.3
79.05494	9.2
81.07058	20.1
83.08607	4.2
91.05465	12.1
93.07044	23.7
95.04967	2.0
95.08034	3.0
95.08604	30.1
95.09153	2.8
99.30108	1.3
103.57584	1.6
105.07028	26.5
107.08595	30.6
109.06530	1.5
109.10152	16.3
111.08099	3.0
117.07016	5.9
119.08575	51.1
120.08978	1.5
121.10140	22.3
123.11706	8.4
129.07002	4.1
129.40381	1.4
131.08577	17.8
133.10139	21.6
135.11700	16.0
137.13272	6.2
142.07782	3.5
143.08556	16.6
144.09325	3.5
145.10120	31.5
147.11679	16.3
149.13307	7.0
155.08586	6.0
156.09341	4.0
157.10130	18.1
158.10909	1.4
159.11703	27.0
161.13245	13.1
163.07477	3.4
163.11232	2.1
163.14842	4.3
167.08554	2.2
168.09367	2.3
169.10124	8.6
170.10902	1.9
171.11667	13.6
173.13269	14.5
175.07648	1.5
175.14828	12.0
177.12741	2.7
177.16373	2.3
179.14417	2.0
181.10127	3.7
181.12184	1.6
182.10898	4.7
183.11711	23.5
184.12535	2.2
185.09743	2.8
185.13286	13.5
187.11324	1.5
187.14841	21.5
189.16400	17.3
191.10664	1.5
191.17924	4.4
194.10849	2.0
195.11696	7.5
196.12514	1.8
197.09666	1.5
197.13278	14.4
199.11313	1.4
199.14804	20.0
201.12753	4.2
201.16351	11.8
203.17992	5.3
205.15747	1.9
207.17393	3.0
209.13300	5.6
210.13907	1.7
211.14767	6.9
212.15656	3.6
213.16394	15.3
215.18022	3.7
219.13792	2.6
221.13307	1.8
223.14827	3.5
225.16420	6.2
227.14424	2.2
227.18010	6.3
229.12292	6.6
229.19533	3.7
231.13870	2.4
234.14024	1.7
237.16455	4.6
239.17935	4.3
241.19536	3.7
243.13820	4.5
245.15431	6.0
247.13277	2.2
247.17009	1.8
251.17973	8.2
253.19571	4.8
255.21216	6.8
257.15378	6.0
259.17014	1.9
261.14792	9.2
265.19577	7.2
267.17535	1.5
267.21103	3.7
269.19064	2.7
271.16989	2.1
273.18729	1.5
277.19449	1.5
279.20929	1.9
297.18591	8.2
299.20197	1.9
311.20056	4.1
317.22641	1.7
319.24402	1.6
387.30396	6.7
389.32040	2.8
401.14832	1.5
405.31583	22.0
407.33145	2.5
433.31067	27.7
451.32098	100.0
452.32440	3.5
478.99753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01852	1.2
55.05505	8.3
55.59830	1.0
57.03442	1.3
57.07071	1.6
61.02929	1.3
67.05511	9.1
69.03437	3.0
69.07070	8.5
69.43252	8.8
71.04993	1.3
73.02879	1.0
79.05486	10.0
81.07063	21.3
83.08598	2.8
85.02892	5.9
85.06536	1.6
91.05485	12.6
93.07052	20.0
94.06579	1.1
95.04980	1.9
95.08612	26.2
97.02914	1.5
97.06528	2.9
97.10149	1.6
99.04427	1.1
103.05466	1.3
105.07030	24.8
106.06543	1.7
107.08601	21.7
109.02827	1.0
109.06505	4.3
109.10164	14.5
111.08094	7.6
117.07026	3.7
118.06535	3.0
119.08586	41.1
119.09444	2.1
120.08107	14.9
121.10159	17.0
122.42297	1.0
123.08101	1.4
123.11695	4.2
124.07599	7.5
127.03912	2.1
129.06996	3.4
131.08577	16.0
133.10135	18.0
134.06001	4.7
135.08092	1.5
135.11679	8.9
136.07596	2.6
137.13222	2.2
138.05513	1.2
141.06982	1.6
142.07797	1.4
143.08600	9.4
144.01166	1.2
144.09370	2.1
145.10135	26.1
146.06010	5.6
146.10785	1.2
147.06807	3.1
147.11702	18.6
148.07587	12.4
149.09703	2.1
149.13248	11.8
152.07080	1.3
155.08594	3.4
156.09340	2.3
157.10150	12.2
158.10915	1.8
159.11710	21.6
160.96898	1.3
161.13232	11.3
163.03940	2.3
163.07478	2.5
163.14836	4.3
164.07077	61.8
165.12817	1.4
166.08676	3.1
167.08566	1.3
168.09441	1.4
169.10138	3.3
170.10925	2.1
171.11739	10.1
173.02354	1.4
173.09674	2.1
173.13263	13.5
175.11266	1.5
175.14839	10.8
177.12756	2.0
177.16406	6.5
181.10162	1.6
182.10878	1.3
183.10255	1.4
183.11662	5.7
185.13240	9.8
187.14841	11.0
189.09277	1.3
189.12741	1.3
189.16385	8.9
191.14293	2.1
191.17986	2.1
195.11708	4.0
197.13304	5.6
199.14836	15.7
201.12665	1.6
201.16393	18.3
203.14346	1.5
203.17969	4.5
205.15887	9.1
207.11627	1.4
209.13315	3.1
211.14894	4.5
213.16403	5.0
215.07082	1.6
215.10678	1.1
215.15627	2.4
215.17989	6.0
216.10245	1.8
217.15869	3.0
217.19559	1.2
218.84143	1.1
219.17456	2.6
221.13432	1.6
223.14775	1.9
225.16382	2.7
227.17996	2.3
229.15802	2.3
229.19572	1.7
233.11531	1.9
235.14934	1.4
237.16423	2.2
239.17967	1.9
241.19576	1.8
243.15205	5.5
243.17194	1.5
245.16467	3.6
247.17039	2.2
249.16339	2.2
251.18001	1.6
253.19460	1.5
259.09692	3.3
271.14432	20.6
271.17032	4.5
271.19952	1.1
273.18527	1.5
277.19507	1.3
279.21271	1.3
283.16953	1.3
289.15479	100.0
290.15906	2.1
299.20117	1.2
347.27487	1.6
387.30722	2.5
393.27963	2.9
405.31543	14.1
407.33127	3.1
421.16827	1.3
433.31094	8.2
451.22916	2.2
451.32144	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.3
53.03952	3.2
55.01881	8.0
55.05510	12.5
57.03430	4.6
65.03943	7.4
67.05509	24.1
69.03419	5.0
69.07062	24.4
70.06599	12.8
71.04993	3.7
71.61034	2.7
79.05492	23.5
80.24465	2.5
81.03431	4.3
81.07060	37.6
83.04972	10.9
83.08620	7.8
83.77309	2.6
84.52718	2.7
85.02887	9.3
86.09697	6.8
91.05476	20.1
93.07042	31.9
95.04963	17.5
95.08604	35.3
97.02850	3.2
97.06535	42.9
98.97624	3.4
105.07027	40.1
107.04962	8.8
107.08596	37.4
109.06499	4.9
109.10168	25.5
110.97646	2.9
111.04465	5.8
111.08087	16.9
117.07021	11.3
119.08577	58.3
121.10136	29.7
123.04444	4.8
123.11713	6.4
125.05957	3.5
127.03857	2.7
128.06233	3.6
129.07053	4.4
131.04884	3.0
131.08582	28.2
133.02827	3.9
133.06508	3.1
133.10146	29.5
135.04472	4.4
135.11682	13.3
137.05937	5.6
139.03899	4.1
141.06923	4.2
142.07782	6.5
143.08559	15.6
144.09348	4.9
145.06569	3.5
145.10124	53.4
147.04469	4.6
147.11674	26.2
149.13261	14.4
151.07568	3.5
153.05525	2.8
155.08458	2.9
156.09338	5.2
157.10146	18.1
158.10921	3.7
159.04396	4.2
159.08075	3.2
159.11702	39.0
160.05232	4.2
161.02362	8.5
161.05994	15.9
161.13258	18.1
163.03889	30.9
163.07564	5.2
163.14798	4.8
165.05518	7.6
167.07030	10.1
167.08475	5.7
169.06479	10.2
169.10194	7.9
169.12267	3.1
170.11005	3.6
171.08008	2.9
171.11696	14.8
173.02332	14.4
173.05975	4.4
173.13280	27.1
175.03931	9.3
175.14815	11.8
177.16431	9.7
179.07091	4.3
181.04958	21.7
181.10022	3.0
182.10983	2.8
183.11722	9.1
185.06027	3.1
185.13248	15.0
187.07593	4.9
187.14876	19.8
189.09120	17.6
189.16444	18.4
191.07129	2.7
191.14349	3.1
191.17964	4.4
195.08167	5.9
197.05986	6.6
197.13283	7.0
199.14830	17.5
200.04741	9.1
201.16415	33.4
203.10770	3.0
203.14368	5.0
203.18028	4.6
205.12300	3.3
205.15945	12.9
207.06451	3.0
209.04405	4.3
209.13326	4.3
211.14781	6.7
213.09160	6.8
213.16345	10.2
215.07036	53.0
215.17979	10.7
217.15746	3.3
219.13734	3.4
219.17441	5.4
225.16373	6.2
227.14331	3.2
227.17967	4.9
229.15669	5.5
231.10149	5.4
233.08109	3.6
233.18953	3.1
235.07544	3.4
235.09708	5.8
237.16415	4.7
239.17946	4.3
245.15392	4.9
247.13438	3.9
251.06854	3.0
257.15277	3.8
259.09668	100.0
260.09943	2.9
267.17780	3.3
277.10629	6.3
279.06161	3.5
287.05652	3.4
289.11691	9.0
297.18472	4.4
305.71307	2.9
338.07950	3.5
353.10202	10.2
358.10291	5.6
373.12610	9.7
385.12787	15.4
387.30615	4.1
405.31387	13.6
415.13861	8.6
421.30875	6.2
433.15109	21.7
433.31079	20.9
451.10541	3.3
451.16025	10.9
451.32144	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	2.0
53.22569	1.6
55.05516	12.5
56.96561	3.6
57.07074	3.3
67.05511	17.1
69.07074	13.6
69.56510	3.4
69.56924	6.7
71.05004	2.1
79.05490	14.8
81.07053	38.5
83.08602	6.5
91.05466	11.8
93.07045	29.3
95.05009	2.3
95.08607	57.2
97.10168	2.4
98.97608	6.3
99.08100	4.1
105.07029	28.8
107.08595	32.3
109.06493	1.9
109.10154	28.7
110.97580	3.5
111.08112	1.9
112.99157	2.6
116.98642	2.9
117.07032	6.3
119.08582	48.6
121.10133	32.6
123.08074	2.5
123.11716	14.1
128.06195	2.4
128.98624	2.3
129.07008	5.1
130.18353	1.6
131.00175	2.4
131.08565	19.2
133.10153	24.7
135.08023	2.2
135.11700	16.9
137.13237	11.2
142.07808	3.0
143.00156	2.3
143.08592	14.8
144.09364	2.0
145.10123	33.0
147.11694	16.4
149.13266	17.6
151.14845	4.8
155.08603	4.4
156.09361	4.7
157.10146	18.9
158.10896	4.5
158.99673	2.8
159.11679	25.6
161.09656	3.1
161.13245	12.1
163.11198	2.9
163.14848	10.2
165.41525	1.6
168.09377	2.7
169.10130	13.9
170.10922	3.7
171.11723	16.5
173.01201	2.1
173.13260	16.2
175.14830	11.7
177.12759	3.8
177.16396	6.1
181.10172	6.9
181.12285	6.1
182.10881	3.3
183.11676	18.6
184.12440	2.4
185.01361	2.7
185.13232	15.2
187.14816	17.7
189.12802	2.8
189.16426	14.5
190.16788	1.8
191.14316	2.1
191.17880	4.0
193.10239	2.4
195.11662	8.1
196.12465	1.8
197.13277	15.9
199.11185	1.7
199.14835	14.1
201.12737	2.5
201.16362	15.0
203.02301	3.9
203.10768	2.3
203.14304	2.3
203.18021	6.6
205.15826	1.8
205.19479	1.9
207.11769	2.9
209.11726	3.8
209.13351	6.4
210.14127	1.6
211.14853	12.4
212.15620	6.0
213.12926	2.5
213.16393	16.3
215.14307	2.0
215.17958	7.1
217.15912	4.4
219.11763	2.1
219.13869	2.1
219.17540	1.8
221.03429	1.9
221.13356	3.3
223.14801	3.7
225.16399	7.2
227.14233	2.2
227.17998	5.9
229.12358	1.9
229.15837	2.8
231.13835	2.1
233.18750	2.1
235.14983	3.1
237.16409	9.0
239.14337	2.6
239.17993	7.1
241.15878	2.2
241.19559	3.2
243.13791	3.2
243.21245	2.4
245.03415	5.8
245.15425	4.4
247.13350	2.9
249.16527	2.3
251.18001	6.9
253.19589	5.1
255.17532	4.0
255.21085	15.0
257.15402	4.6
259.16882	2.0
263.04553	2.7
263.18057	2.1
265.19730	3.8
267.17487	2.7
267.21176	3.7
271.16769	2.1
273.14978	2.5
279.21194	1.9
281.22562	2.3
283.17184	2.4
297.18573	3.2
299.16528	8.9
301.17834	2.0
305.05563	4.4
319.24304	2.2
333.26031	2.1
347.27542	2.0
349.28946	4.3
367.22556	3.4
387.30573	6.1
389.32047	6.1
405.31592	23.4
409.27069	2.3
423.32593	2.5
433.31235	25.2
451.32144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.29456	2.1
53.03933	3.3
55.05515	16.4
57.07066	5.5
59.75410	1.8
67.05504	23.5
69.07072	17.4
69.64464	15.1
71.04998	4.0
79.05499	22.3
81.07060	45.2
83.08609	8.2
84.22170	2.2
91.05479	26.2
93.07045	41.4
95.04980	4.3
95.08613	63.0
97.02876	2.3
97.06535	24.4
97.10164	4.0
98.21404	5.1
99.08067	3.1
104.24837	2.3
105.07029	68.3
107.08603	64.4
107.09148	1.4
109.06517	4.8
109.10167	34.0
111.08073	32.5
111.31030	2.1
117.07040	11.2
119.08585	98.5
121.10139	43.1
123.08112	3.0
123.11707	9.5
129.06985	12.9
130.07779	4.8
131.08572	39.7
133.10143	40.3
135.08061	3.3
135.11667	14.6
137.09651	3.1
137.13219	2.8
142.07782	4.7
143.08565	22.4
144.09361	4.6
145.10129	82.6
145.66602	2.5
147.11691	53.3
149.13272	27.8
155.08577	6.8
156.09343	8.2
157.10136	36.4
158.10899	4.0
159.08104	3.5
159.11702	54.8
161.13258	25.8
163.03935	8.3
163.07527	7.4
163.11179	3.5
163.14873	7.1
167.08513	4.2
169.10153	8.4
170.10930	5.4
171.11719	25.0
173.02396	5.6
173.13271	41.9
175.14839	25.6
177.09154	3.3
177.12952	2.4
177.16388	30.4
179.14342	2.7
181.10129	4.3
182.10934	2.7
183.11710	13.6
185.13254	26.4
187.11320	2.8
187.14827	40.3
189.16394	20.3
191.14293	4.9
195.11728	5.5
196.12291	3.1
197.13278	12.8
198.14053	2.7
199.14845	41.0
201.16396	58.6
203.14325	3.1
203.17996	8.9
205.15883	32.6
207.11746	4.2
209.13319	8.6
211.14828	11.1
213.09106	3.1
213.12784	2.5
213.16345	15.3
215.06825	5.0
215.14447	5.7
215.17940	12.8
217.15915	8.3
219.13898	4.6
219.17491	5.7
221.13362	4.9
223.14833	5.1
225.16438	8.3
227.17970	9.9
229.16132	3.5
229.19502	3.4
230.73311	2.2
231.13818	4.1
231.17578	3.8
233.15411	6.4
237.16444	5.6
239.18001	7.6
241.19583	4.3
245.15413	10.6
247.16974	5.5
249.16348	2.9
251.17921	4.7
253.19583	6.6
255.21078	3.9
257.15421	3.1
259.09656	26.3
259.16919	3.0
267.21011	4.9
271.16965	3.3
271.20602	4.4
277.19598	3.2
283.16858	3.0
289.12967	2.9
293.22656	3.7
387.30399	11.9
393.27908	5.7
405.31531	32.8
407.33118	3.8
421.30878	4.8
423.32794	3.7
433.31107	33.3
451.18408	4.0
451.32111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05513	15.5
57.07078	3.9
65.03917	3.7
67.05504	24.3
69.03413	5.0
69.07071	25.1
69.70113	10.4
69.70533	4.5
70.06591	18.4
79.05486	25.8
81.03385	2.4
81.07056	43.6
83.04965	4.6
83.08620	7.4
85.02934	3.8
86.09710	16.9
89.03947	3.3
91.05482	24.6
93.07042	40.9
95.04961	10.4
95.08605	53.6
97.06521	31.2
97.10137	2.8
105.06367	4.6
105.07031	54.1
107.04940	2.3
107.08595	52.8
109.06541	3.8
109.10158	38.7
111.04449	3.7
111.08088	15.5
115.05411	3.1
117.07015	11.2
119.08578	77.4
121.10143	32.3
123.08025	3.6
123.11708	9.4
128.06149	3.0
129.07016	8.6
129.86429	1.9
130.07791	2.8
131.08566	31.2
133.02835	4.0
133.06529	3.5
133.10114	35.5
135.04431	3.2
135.08003	2.6
135.11691	21.3
137.09572	2.1
137.13191	3.7
141.06935	4.9
142.07751	5.2
143.08560	22.9
144.09288	3.8
145.02808	2.7
145.06551	2.5
145.10126	68.8
147.04271	3.0
147.11679	39.8
149.05995	2.7
149.09657	2.7
149.13254	20.5
151.07565	4.0
155.08524	8.4
156.09338	6.6
157.10120	28.6
158.10938	3.0
159.08078	3.3
159.11691	47.3
161.02324	3.6
161.05971	7.1
161.09546	3.3
161.13239	26.5
163.03905	19.1
163.07506	7.1
163.11130	2.2
163.14804	6.9
167.08585	3.7
168.09367	3.4
169.10063	11.6
170.10951	7.9
171.11670	21.1
172.12442	2.4
173.02388	9.6
173.13278	32.0
175.07475	3.2
175.14841	18.4
177.16406	15.5
181.10089	3.2
183.11673	10.2
185.13257	21.9
187.07518	4.0
187.11259	3.7
187.14822	25.7
189.09097	6.7
189.12785	3.1
189.16409	21.8
191.06808	2.1
191.14250	3.3
191.17928	8.0
191.80199	2.4
193.10188	3.9
195.08009	2.4
195.11734	7.5
195.13649	2.3
197.13321	11.1
199.14799	27.4
201.12711	6.8
201.16379	47.1
203.14307	5.1
203.17969	9.3
205.12227	3.4
205.15921	17.2
209.13234	5.6
211.14825	7.5
213.09158	4.6
213.16406	10.0
215.06987	23.1
215.14409	4.5
215.17940	11.7
217.08607	2.6
217.15952	6.2
217.19250	2.6
219.13771	4.8
219.17535	2.9
221.13324	2.6
223.07472	2.5
223.14772	5.3
225.16397	5.6
227.17981	5.0
229.15680	7.0
231.13832	3.8
233.13164	2.4
233.15353	3.0
237.16434	4.3
239.18051	5.3
241.08690	2.9
241.19478	3.2
243.13760	2.2
245.15462	8.8
247.16893	3.0
251.17902	2.3
253.19548	3.4
255.21088	3.3
257.15369	4.2
259.06949	3.2
259.09662	52.7
259.20578	2.3
261.14886	2.8
265.19577	3.6
271.16949	4.1
285.18680	4.1
297.18481	3.0
311.19962	4.5
377.24915	2.8
387.30554	7.4
389.32071	4.9
393.27936	5.2
405.31546	19.2
407.33014	5.0
421.31039	7.2
433.31033	25.6
451.32083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	0.9
55.01847	0.7
55.05513	4.0
57.07078	3.6
57.07320	0.7
67.05505	6.9
69.07080	4.7
71.08622	1.6
71.52780	1.1
79.05499	3.1
81.07063	9.7
83.08611	2.3
85.10164	0.7
89.06030	1.4
91.05476	6.0
93.07046	7.7
95.04951	1.2
95.08614	10.8
97.06532	1.2
97.10173	1.8
101.59033	0.6
105.07028	12.5
107.04933	0.8
107.08604	12.3
109.06514	1.6
109.10155	9.4
111.08097	1.1
111.11669	0.7
113.06017	1.8
117.07006	2.2
119.08582	14.1
121.06507	1.2
121.10155	6.1
122.74284	0.6
123.08076	2.2
123.11713	2.3
123.31940	0.6
125.06008	2.9
129.07021	2.7
131.08580	5.7
133.08611	0.7
133.10132	10.6
135.08055	1.4
135.11681	3.0
137.05995	0.7
137.09625	1.3
139.07524	1.2
141.06990	0.7
143.08560	6.4
145.10126	11.2
147.07982	1.1
147.11708	3.8
149.06021	1.5
149.09549	0.9
149.13287	2.0
150.33589	0.6
151.11197	2.6
153.09047	0.8
155.08575	1.7
156.09410	1.2
157.10149	7.6
159.11690	5.0
161.09596	0.9
161.13243	4.0
163.14812	1.5
167.07068	1.1
169.10074	3.5
171.11682	6.2
173.13274	7.7
175.14842	12.7
177.09129	1.7
177.12785	1.2
181.10057	0.9
183.11676	4.3
185.04456	1.2
185.13333	3.8
187.14877	3.7
189.12735	0.8
189.16470	0.8
191.10678	0.7
195.11649	1.3
197.13280	2.9
199.14833	4.7
201.12779	1.3
201.16373	1.9
207.11707	1.0
209.13272	1.7
211.14816	2.1
213.16364	5.5
215.14325	1.5
215.17961	1.1
217.15878	0.7
223.14920	1.4
225.16319	1.8
227.17995	2.6
233.15364	1.1
235.14804	0.8
237.16293	1.5
239.18007	2.4
241.19568	3.8
249.16397	0.9
253.19484	3.1
266.90527	0.7
269.19073	0.9
277.19547	0.9
295.20535	1.6
319.24228	0.8
347.29868	0.7
370.09494	0.6
373.29007	2.7
391.29922	9.7
415.36005	1.0
418.31155	0.7
433.37015	4.6
451.32098	100.0
451.36987	4.4
452.32462	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	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03945	1.3
55.05510	5.5
57.07072	2.5
67.05225	0.8
67.05517	9.4
69.07073	8.6
69.34332	7.3
69.49710	0.9
71.08631	1.9
79.05496	5.8
79.98220	0.7
81.07057	12.9
83.04974	1.3
83.08612	2.4
89.06020	1.6
91.05481	8.3
93.07053	9.1
95.04964	1.4
95.08607	10.3
97.06544	1.4
97.10155	0.9
105.07030	14.7
107.08594	12.4
109.06486	1.8
109.10168	9.2
111.08084	2.1
113.13512	0.7
117.07008	3.2
119.08594	17.2
121.10156	5.7
123.08071	4.0
123.11657	1.5
125.02434	1.1
129.06970	1.8
131.08559	8.0
133.10133	12.6
135.08067	1.2
135.11671	2.4
137.09613	1.7
141.06989	1.3
142.07785	2.6
143.08548	4.8
145.10139	10.0
147.11710	4.8
149.09674	1.1
149.13214	1.8
151.11195	1.2
153.09160	1.0
155.08546	3.7
156.09354	1.4
157.10139	8.0
159.11688	7.9
161.13254	5.3
163.14801	2.1
169.10143	2.3
171.11670	6.2
173.13258	6.9
175.14819	9.0
177.16444	1.2
181.10136	1.8
183.11725	3.4
185.13287	4.8
187.14844	3.5
189.16400	1.1
195.11638	1.7
197.13297	3.1
198.14029	1.4
199.14862	5.4
201.12680	1.7
201.16380	2.6
209.13208	1.1
211.14867	2.3
213.16426	4.8
215.14256	1.0
217.63870	0.8
221.13435	1.2
225.16335	1.0
227.17952	2.4
231.13858	0.9
239.17943	2.8
241.19524	3.7
253.19542	3.3
291.29504	0.8
335.23587	2.1
351.23380	0.9
373.28778	2.1
374.08685	1.0
391.29993	10.8
392.30347	0.9
408.28705	1.1
433.36890	1.5
451.32074	100.0
452.32416	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	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.79907	2.9
53.06333	2.6
55.05515	13.7
57.07066	4.9
67.05506	21.5
69.07069	16.6
71.05187	5.0
79.05488	19.1
81.07058	36.5
83.08620	10.2
91.05483	32.0
93.07056	40.2
95.04950	5.9
95.08607	43.9
97.06541	4.5
99.08096	2.7
105.07039	57.3
107.08599	50.3
109.06557	3.4
109.10170	26.9
117.07051	16.7
119.08587	55.9
121.10158	26.1
123.08088	4.7
123.11732	10.6
128.06255	3.3
129.07016	6.9
131.08577	39.0
133.10139	44.3
135.08095	6.9
135.11713	20.9
137.09641	3.6
139.07574	3.7
141.06981	3.3
142.07823	4.1
143.08586	20.7
144.09306	4.7
145.10121	53.4
147.08102	3.6
147.11687	31.5
149.09656	7.7
149.13312	10.9
153.05482	3.8
155.08623	9.8
156.09317	6.8
157.10132	24.2
158.10988	4.3
159.08139	3.1
159.11702	34.5
161.09671	6.3
161.13258	24.0
163.07549	4.5
163.11223	6.4
163.14821	4.6
169.10219	13.9
170.10919	4.0
171.11671	23.3
173.13263	31.0
175.11287	3.5
175.14861	23.9
177.09149	7.5
177.16496	3.2
181.10164	6.2
182.11055	4.4
183.11681	14.6
185.13257	21.2
187.11295	3.5
187.14796	36.0
189.16377	3.7
191.14308	4.2
193.10146	3.9
195.11714	6.5
195.13763	2.9
196.12473	3.1
197.13307	11.2
199.14833	39.6
201.12859	3.6
201.16447	18.8
203.14311	3.7
205.16031	7.0
209.13324	7.4
211.14851	9.5
213.12949	3.4
213.16447	13.4
215.14421	7.6
215.17938	4.0
217.12337	3.8
223.14977	3.9
225.16428	6.7
227.14397	4.1
227.18004	11.3
229.15958	3.6
229.19476	3.3
233.15372	5.0
237.16364	6.2
239.17969	7.7
241.19675	7.1
251.18123	6.7
253.19606	11.0
255.21115	4.8
259.17041	6.5
267.20975	4.1
269.19153	6.1
271.20749	3.0
273.18732	3.9
276.42657	3.3
283.20447	3.0
309.22327	4.3
327.37570	3.0
349.25723	4.6
373.29013	13.2
391.29990	91.6
405.31604	14.2
407.25092	3.3
419.29633	6.5
433.31116	25.3
451.32266	100.0
452.32333	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	451.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.7
55.01866	7.4
55.05512	15.8
57.03439	6.9
67.05499	21.5
69.03426	10.5
69.07067	20.5
69.80527	28.6
70.06599	9.6
71.04993	6.5
77.40614	6.0
79.05488	24.1
81.03403	6.2
81.07049	40.4
83.04971	15.6
83.08622	6.3
85.02905	12.3
85.06545	8.2
86.09703	8.5
91.05492	26.2
93.07056	33.4
95.04972	15.2
95.08611	37.8
97.06528	69.4
98.09681	7.5
99.04471	6.7
103.05483	5.5
105.07025	35.5
107.08600	32.9
109.06521	17.3
109.10169	22.3
111.04486	8.2
117.07041	6.2
119.08582	38.8
121.06499	28.6
121.10161	18.4
123.08047	6.1
123.11672	10.3
125.06007	6.4
129.07021	9.3
131.08560	17.8
133.10159	24.8
134.27452	5.7
135.04379	12.9
135.11775	10.2
139.07524	7.2
143.08566	11.9
145.10103	30.3
147.04465	8.8
147.11694	30.1
153.01880	8.0
156.09317	10.1
157.10112	27.7
159.11702	22.0
161.02347	6.2
161.13277	11.1
163.03957	51.2
164.07080	6.7
165.12735	5.5
167.07143	8.7
167.08609	5.7
169.06548	6.0
171.11603	13.8
173.02394	12.9
173.06120	7.9
173.13252	15.2
175.11208	11.1
175.14832	12.7
177.16353	12.2
181.04993	8.4
185.13281	10.0
187.14789	12.8
189.12802	13.4
189.16443	11.1
191.14413	5.6
193.12273	12.4
195.08131	12.3
197.13245	5.6
199.11169	11.8
199.14810	7.1
201.16431	17.1
205.15915	17.5
211.13228	6.5
213.16463	7.5
215.07031	47.0
215.17856	8.4
217.12192	35.3
235.13255	42.4
253.14380	40.5
259.09656	100.0
287.05554	11.2
288.05792	8.1
289.06509	17.4
327.59933	5.4
350.14459	5.0
405.31638	9.6
433.31229	9.5
451.32376	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	451.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01844	0.4
55.05503	3.2
56.00427	0.4
57.03435	0.5
57.07065	0.8
60.27794	0.4
65.03920	0.6
67.05505	5.5
69.03430	2.7
69.07069	4.9
70.48434	1.4
73.02878	0.6
79.05497	4.4
79.44376	0.4
81.03397	1.1
81.07058	11.2
83.08596	1.7
85.02903	4.4
91.05474	7.4
92.06252	0.8
93.07046	10.5
94.06538	1.2
95.04956	1.3
95.08602	14.5
96.08117	1.2
97.02867	1.5
97.06537	3.0
99.08076	0.8
103.05453	1.3
105.07030	13.3
106.06528	2.1
107.08594	13.6
108.08102	0.9
109.06493	1.9
109.10157	8.6
111.08089	5.0
115.05441	0.4
117.05753	0.6
117.06987	2.8
118.06546	2.7
119.07257	1.1
119.08582	19.7
120.08109	13.2
120.08915	0.4
121.06479	0.5
121.08665	0.4
121.10142	8.7
122.09654	0.7
123.08079	1.0
123.11700	2.9
124.07594	8.1
125.09645	0.8
126.09148	0.8
127.03922	1.1
128.06232	0.6
129.06987	1.3
130.07793	0.9
131.08563	8.1
133.10130	10.0
134.06023	6.0
134.40059	0.4
135.04410	0.6
135.06882	0.4
135.08055	1.4
135.11697	5.1
136.07571	2.9
137.09653	0.5
137.13205	0.7
138.05481	1.2
138.09091	0.7
141.07005	0.8
142.07777	1.3
143.08553	4.4
144.09335	0.9
145.04951	0.6
145.09018	0.8
145.10123	14.0
146.06001	4.4
147.06779	2.5
147.07962	0.7
147.11673	9.7
148.07568	12.6
149.13281	5.8
150.09081	0.7
151.07465	0.6
151.11180	0.6
152.07118	0.5
153.09148	0.7
155.08553	1.7
156.09320	1.6
157.10129	6.7
158.10861	0.8
159.11694	11.9
161.09630	0.9
161.13249	6.2
163.03925	2.9
163.07574	1.3
163.11238	0.6
163.14830	2.5
164.07063	61.8
165.07515	0.6
166.08675	2.2
168.09393	0.7
169.10184	2.9
170.10919	0.8
171.11693	5.0
172.12480	0.4
173.02464	0.6
173.13260	8.3
175.11200	0.6
175.14809	4.9
177.09085	0.4
177.16405	4.1
179.10629	0.6
179.14500	0.5
182.10884	0.8
183.11690	2.9
185.13260	4.5
187.11206	0.8
187.14816	6.6
189.08958	0.5
189.12770	1.2
189.16362	5.9
191.14275	0.7
191.17960	0.7
193.10352	0.4
195.11714	1.8
197.13263	2.5
199.14824	8.5
200.10674	0.6
201.12759	0.7
201.16388	10.3
203.14330	1.1
203.17986	1.6
205.15862	5.6
207.11819	0.6
209.13216	1.1
211.14838	2.1
213.12787	0.7
213.16341	2.9
214.10974	0.6
215.07005	1.6
215.15413	1.6
215.17958	3.1
216.10188	2.3
217.12102	0.6
217.15936	1.6
217.19492	0.6
219.11728	0.5
219.17439	1.0
223.14893	0.8
225.16383	1.2
226.12219	0.8
227.17963	1.6
229.13351	1.8
229.15814	1.1
229.19565	1.3
231.13841	1.1
233.15364	0.8
233.18886	0.4
235.14839	0.8
237.16377	1.4
239.18004	1.6
242.10471	0.4
243.14977	7.7
245.16418	3.2
247.17078	1.1
251.17970	0.7
253.13330	1.6
253.19559	1.3
254.11722	1.0
257.15570	0.6
259.09671	3.6
259.17075	0.4
263.18207	0.6
267.20853	0.7
271.14413	24.6
271.16666	1.1
275.17740	0.6
277.19574	0.7
287.16699	0.4
289.15460	100.0
289.25299	1.6
290.15771	2.4
291.21140	0.5
297.18640	0.6
299.23679	0.5
319.07187	1.2
341.20996	0.5
377.24753	0.5
387.30490	2.0
393.27893	0.9
405.31604	6.8
407.32971	0.5
423.32495	0.8
433.31036	5.3
451.21289	1.3
451.32141	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	451.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54015	1.8
53.03946	2.5
53.44426	1.6
55.01867	3.9
57.03435	22.0
61.02927	9.2
67.05502	3.8
67.29727	2.1
69.03433	21.1
69.07062	8.4
71.01343	2.0
71.05000	4.4
71.44853	2.6
73.02924	36.0
79.05490	4.8
81.03409	8.0
81.07053	7.8
82.15730	1.8
83.54398	1.8
85.02907	100.0
85.03423	5.0
87.04467	5.6
90.63809	1.7
91.03950	2.7
91.05486	3.0
95.04955	4.4
97.02892	47.4
97.06510	2.6
98.97601	11.3
99.04454	4.2
103.03931	5.1
107.08575	2.9
108.08112	6.3
109.02873	14.0
110.01263	3.7
110.97581	3.7
115.03925	13.2
116.98579	3.7
117.03452	2.2
119.01771	2.6
120.08096	2.9
122.06004	5.1
125.05967	4.6
126.05527	5.0
126.09133	2.9
127.03909	22.1
128.98552	3.2
132.06552	2.9
133.04985	4.6
136.07585	11.8
137.05988	3.1
140.07068	66.4
143.00156	2.1
145.04979	36.4
147.04446	2.4
150.07603	5.2
150.09145	3.8
152.07069	11.0
154.08675	5.7
158.99661	6.8
163.03940	3.0
163.06027	18.3
164.07077	17.3
167.02928	1.9
170.99673	3.2
176.03371	22.3
176.53548	2.4
177.00671	4.2
178.08626	16.8
178.32227	2.1
182.08141	99.4
185.03912	14.7
189.00775	5.9
191.07036	1.9
195.07854	4.1
206.08147	51.1
210.48813	1.9
215.07018	3.8
218.08199	5.9
219.01898	2.7
223.33832	1.9
236.09177	5.2
243.14893	3.6
248.09187	11.9
249.02821	3.4
252.09416	4.1
260.08966	4.0
261.09900	31.0
261.12396	3.1
261.60141	5.3
266.10291	4.5
271.14337	2.1
281.61090	2.4
284.11270	9.3
289.15390	2.5
302.12369	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	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77211	3.3
54.25111	3.0
55.01857	8.9
55.05503	14.0
58.77063	3.3
65.03934	8.8
67.05506	27.0
69.03417	5.2
69.07070	23.5
69.28233	34.1
70.06599	21.4
71.04991	4.3
75.19849	3.4
75.48911	3.3
79.05492	28.0
79.57078	2.9
81.07057	31.5
83.04958	5.9
83.08613	6.2
85.02888	11.4
86.09713	7.9
87.04436	3.0
87.29026	3.1
91.05476	22.2
93.03391	4.1
93.07043	26.7
95.04957	20.3
95.08611	37.1
97.02894	3.0
97.06534	61.4
98.97591	7.5
105.07035	36.6
107.04922	4.9
107.08601	35.6
109.06529	4.1
109.10166	23.9
111.04422	6.4
111.08118	16.2
115.05473	4.5
116.06273	3.2
117.07007	11.0
119.08596	50.6
121.10140	28.7
123.04419	5.7
123.11709	8.2
124.40295	3.8
129.05513	3.7
129.07024	5.4
130.07756	3.5
131.08559	24.7
133.10135	25.4
135.04416	5.2
135.11690	13.0
137.06000	6.2
139.11212	4.0
140.04691	6.4
141.06964	8.1
143.08560	14.5
144.09377	5.4
145.02757	5.9
145.06467	3.8
145.10133	45.0
147.04431	5.0
147.11674	25.0
149.13234	12.8
155.07056	5.7
155.08463	6.1
156.09331	4.3
157.10132	20.9
158.10909	3.4
159.04405	4.6
159.08055	5.2
159.11702	39.8
160.05197	4.5
161.02414	7.8
161.05983	15.8
161.13239	16.2
163.03917	28.9
163.07558	4.6
163.14757	3.9
164.07076	6.2
167.07039	14.0
167.08444	5.5
169.06511	10.4
169.10123	4.6
170.10858	3.8
171.11691	16.7
173.02296	20.7
173.05994	5.2
173.13304	21.1
175.03902	3.6
175.07463	5.3
175.14815	8.9
177.16391	12.2
181.04947	23.5
181.10107	4.9
183.11618	5.5
185.09651	3.9
185.13249	14.0
187.07526	6.9
187.14812	25.0
189.09148	27.0
189.16341	16.5
190.31067	4.2
191.07011	4.4
195.07977	6.0
197.05928	10.5
197.13315	5.0
198.06776	4.8
199.14804	18.3
200.04724	9.2
201.16359	29.3
203.14270	4.4
203.17966	6.6
205.15906	14.0
208.07263	5.3
209.04384	7.3
209.13261	4.3
211.14824	4.9
213.16418	8.2
215.07047	57.0
215.17949	9.7
219.17413	3.8
225.07417	4.0
225.16309	5.9
229.15578	7.9
231.10181	7.3
233.08340	4.4
235.09657	4.4
245.15343	6.4
259.07019	5.1
259.09695	100.0
271.17023	4.0
277.10812	5.4
289.11780	9.4
291.36212	3.0
313.10721	4.5
353.10251	9.7
358.10535	8.0
370.10165	4.0
373.12762	7.7
385.12866	11.0
393.27609	3.9
405.31326	10.9
415.13919	5.0
433.14923	25.5
433.31198	15.5
451.16208	5.6
451.32141	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
54.42302	0.4
55.01855	0.3
56.91029	0.3
57.03441	0.4
57.49517	0.3
61.02911	1.0
69.03424	2.0
70.12616	1.4
71.04980	0.4
74.95721	0.3
81.03409	0.9
85.02908	7.4
91.03960	0.5
93.35793	0.3
93.38586	0.3
97.02887	2.4
98.97558	0.4
109.02889	0.8
115.65456	0.3
118.29951	0.3
127.03917	100.0
128.04280	0.6
129.89659	0.3
131.36275	0.3
145.04933	1.8
258.10791	0.4
262.13828	0.4
289.09088	2.0
371.60388	0.3
393.60782	0.3
455.73123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05525	10.8
56.96550	2.9
57.03427	1.4
57.07059	2.2
59.04986	1.6
65.03933	1.2
67.05511	11.4
69.07066	11.2
69.63037	4.1
69.63466	4.9
71.04991	2.0
72.87059	1.2
79.05490	7.8
81.07061	23.4
83.04961	2.4
83.08620	4.6
85.02901	1.6
85.06543	3.7
91.05493	11.9
93.07042	23.2
95.04961	2.2
95.08040	2.2
95.08614	35.3
97.06547	3.1
97.10154	3.6
98.97578	1.9
99.04465	19.0
101.06001	4.1
103.05440	1.3
105.07035	23.1
105.96604	1.2
107.08601	35.5
108.08899	1.8
109.06499	2.4
109.10161	18.9
110.10470	1.3
110.24441	1.1
110.97540	1.7
111.08086	2.3
111.11655	1.2
112.99142	1.5
114.70888	1.1
116.98586	1.2
117.07014	4.4
119.08587	32.6
120.08889	1.4
121.06524	1.4
121.10146	30.5
122.47964	1.2
123.11710	11.4
128.98633	1.5
131.08600	9.2
131.26749	1.2
133.10136	46.9
134.10492	1.5
135.08112	1.4
135.11710	23.2
137.13260	3.7
143.00116	1.7
143.08556	5.4
145.10115	16.3
147.08017	1.7
147.11688	40.4
149.13266	11.7
151.11223	1.9
156.09358	1.6
157.10083	6.2
159.11684	13.8
161.01282	2.2
161.09615	3.0
161.13260	13.0
163.11232	3.2
163.14795	6.9
170.10854	1.2
171.11711	6.2
173.13295	6.4
175.11168	5.4
175.14783	7.5
177.12740	3.3
177.16373	2.8
179.14340	2.5
181.12135	2.6
185.01202	2.1
185.13235	3.6
187.11293	2.2
187.13409	1.7
187.14816	9.7
189.12778	11.7
189.16376	18.6
191.10674	1.7
191.14336	2.2
191.17949	39.1
193.12257	17.0
195.13867	2.3
199.14775	2.7
201.16374	12.8
203.02347	4.1
203.17996	9.8
205.12265	9.2
205.19582	3.4
207.11850	3.0
207.13809	51.7
207.17416	5.7
209.15334	2.8
213.16377	3.3
215.18005	5.9
217.19530	3.5
221.15366	1.5
227.17902	2.1
235.16864	3.2
241.19414	1.6
247.16916	2.5
249.18445	2.3
261.18567	3.0
270.80121	1.2
273.18555	1.7
295.30087	1.2
301.21500	1.9
319.03339	5.7
327.23077	1.5
328.49963	1.3
337.04398	5.3
345.39099	1.2
379.29980	3.1
397.31024	100.0
398.31305	3.7
405.31583	2.6
415.32123	37.8
433.31876	4.4
450.30591	3.0
450.35724	4.5
451.32751	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	450.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01859	2.3
55.05509	11.5
56.96521	2.0
57.03405	2.4
57.07077	2.7
67.05508	12.2
69.07069	11.7
69.59218	5.3
69.59645	8.6
71.05010	3.4
74.09715	2.3
79.05485	9.0
81.07057	25.5
83.04967	3.3
83.08596	3.9
85.06545	3.6
91.05488	12.3
93.07043	26.3
95.08607	37.3
97.06489	3.2
98.20794	4.5
99.04450	25.1
101.05984	4.9
105.07028	23.5
107.07962	2.3
107.08608	33.0
108.43893	2.0
109.06535	2.2
109.10153	21.4
111.08054	3.1
111.40950	2.1
113.05998	2.3
117.06992	4.1
119.07774	3.4
119.08577	37.4
121.10138	26.2
122.10472	2.0
123.08031	3.5
123.11684	9.8
131.08566	8.1
133.09114	2.7
133.10135	55.1
135.11702	25.4
137.13222	2.6
143.08591	4.6
144.09315	2.4
145.10149	18.9
147.11693	42.5
149.09564	2.5
149.13260	7.1
151.11194	2.7
156.09377	2.5
157.10161	4.8
159.11688	14.8
161.09659	2.4
161.13284	14.4
163.11185	4.9
163.14841	8.3
169.10190	1.9
171.11700	7.2
173.09634	2.3
173.13347	10.2
175.11172	4.5
175.14803	8.9
177.16377	2.6
179.10670	2.2
183.11790	3.1
185.13284	3.1
187.11185	2.3
187.14867	10.9
189.12730	15.4
189.16385	13.5
191.14366	3.2
191.17982	35.5
193.12274	15.6
201.16472	12.4
203.17921	11.7
205.12271	12.5
207.11867	3.7
207.13828	67.4
207.17404	6.3
215.17905	3.4
217.19571	3.2
221.15363	2.7
249.18492	2.3
261.18671	2.6
301.56894	1.9
325.19412	2.0
397.31042	100.0
398.31219	3.0
415.32114	45.7
433.32498	4.3
450.30917	4.8
451.32104	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
53.99806	2.5
55.01870	3.4
55.83511	2.7
57.03442	25.4
59.04981	4.6
60.04521	3.8
61.02921	7.4
69.03433	82.8
71.05121	5.6
73.02901	8.5
81.03416	7.2
85.02421	5.3
85.02908	78.1
87.04474	54.7
87.04976	1.8
91.03954	3.4
91.05442	5.7
93.07021	3.5
97.02886	61.9
99.04455	3.7
109.02890	6.0
115.03148	6.0
115.03930	90.8
117.07024	7.0
121.06512	45.6
124.07562	4.4
127.03899	12.3
128.34587	3.3
131.22632	2.9
133.04968	100.0
135.07941	3.7
145.04961	15.8
145.06487	30.1
150.07608	15.2
159.07988	5.8
163.03946	3.2
163.06020	8.1
163.07541	20.1
171.08049	3.9
175.07584	15.3
175.75804	2.5
187.07541	19.7
201.09242	3.2
205.08620	16.4
217.08548	18.5
229.08578	3.9
235.09583	11.6
247.09515	7.0
259.08066	5.9
265.10764	5.5
283.45319	2.9
321.45676	2.9
353.47040	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.7
57.03442	31.4
59.05016	4.7
69.03435	95.7
70.00588	12.7
71.05016	2.4
81.03437	3.5
85.02413	4.9
85.02911	74.0
87.04472	68.8
89.80824	2.2
91.03934	2.8
97.02902	77.4
99.04548	2.2
109.07563	2.2
111.04409	2.5
115.03939	100.0
117.07046	8.8
120.54473	2.1
121.06517	36.2
127.03913	9.9
128.22804	2.6
133.04973	98.6
135.08096	2.8
145.05089	14.8
145.06496	40.8
147.04523	2.4
150.07597	13.4
159.08098	2.6
163.06177	4.6
163.07536	21.8
175.07545	17.3
181.08601	3.8
187.07578	9.5
199.07568	2.3
205.08606	7.1
207.62015	2.7
217.08588	22.3
235.09680	7.0
235.13095	2.6
247.09709	3.3
259.08215	4.1
265.10831	4.5
276.25253	2.1
291.80692	2.4
339.20038	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	449.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.9
53.03937	4.8
53.15212	1.2
53.32738	1.3
55.01854	2.1
55.05514	12.5
57.03416	1.9
57.07072	4.5
65.03924	2.8
67.05167	2.4
67.05508	34.0
69.03430	1.5
69.07072	12.4
70.94694	1.3
71.04955	1.5
71.08651	1.4
79.05499	30.0
81.03387	1.6
81.07059	32.1
83.08607	6.2
85.06545	2.4
91.05485	31.3
93.07049	99.8
95.05006	7.2
95.08040	2.3
95.08608	28.1
97.02886	2.4
97.06519	3.7
97.10175	3.9
98.20609	3.4
99.08116	2.2
105.04517	2.9
105.07051	12.7
107.08600	100.0
109.06508	2.9
109.10148	16.9
111.04448	1.7
111.08126	2.1
111.11742	1.5
117.07035	3.4
119.08591	10.7
121.06507	1.7
121.10159	9.6
123.11717	4.3
131.08575	4.6
133.10104	6.9
135.08029	2.1
135.11702	86.2
137.09578	2.0
137.13263	2.2
145.10185	7.4
147.11699	4.4
149.09630	1.9
149.13217	4.8
151.11115	2.2
152.07945	1.6
155.08481	1.8
157.10168	2.7
159.11684	5.2
161.13274	3.8
162.99188	1.6
165.09148	2.1
171.11690	1.6
173.11835	1.8
173.13232	3.2
175.14796	2.6
177.12827	2.0
183.11612	1.8
187.14713	3.1
189.16461	1.7
216.32710	1.7
253.55035	2.0
257.10483	2.6
259.16846	1.9
261.22171	3.5
279.23172	3.6
310.11844	2.0
431.30222	2.4
442.28677	1.6
449.31915	17.5
455.59271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3626
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.03924	3.2
55.01860	3.2
55.05505	17.1
55.72327	2.1
57.07080	25.9
65.03887	2.6
67.05499	13.5
69.06777	2.7
69.07074	32.7
69.45577	11.0
69.45994	5.2
71.08646	16.0
76.33250	2.3
77.41365	2.3
79.05487	5.6
79.58225	2.0
81.07039	19.9
83.04981	5.3
83.08621	21.7
85.10162	10.4
91.05466	9.8
91.14352	2.0
93.07024	9.5
95.04960	7.7
95.08600	21.1
97.06495	2.9
97.10183	10.9
99.04440	6.9
105.07038	11.8
107.04897	2.6
107.08568	8.5
109.06512	10.4
109.10148	9.9
111.04438	100.0
111.08053	5.5
111.11693	7.9
113.05978	5.0
119.08565	8.8
121.06500	8.3
121.10150	4.0
123.04429	20.0
123.08077	5.6
123.11683	3.3
125.05966	16.6
125.13279	2.5
131.08580	3.0
133.10123	5.8
135.04379	6.4
135.08020	6.1
135.11732	3.3
137.05978	20.5
137.09535	3.4
137.13287	2.9
139.07506	7.0
145.10103	4.0
145.96063	2.3
146.94696	2.2
147.08015	3.3
147.11681	8.0
149.05965	3.9
151.07535	9.7
153.05481	22.9
155.07033	4.3
159.11707	3.5
161.09689	4.4
161.13298	2.9
163.07484	5.9
165.05475	64.2
165.09109	3.3
167.07010	2.3
171.06493	6.4
173.13190	3.3
177.12685	3.3
183.06532	71.8
187.14790	2.6
189.12750	5.6
193.12144	3.1
199.14774	3.1
207.13814	2.7
217.12227	4.4
230.24811	4.0
231.25198	4.0
385.34549	18.5
387.35919	2.2
403.30771	4.0
403.35721	59.2
413.34216	11.4
431.35193	45.8
449.36285	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3626
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
55.01866	3.2
55.05513	10.7
56.92513	1.4
57.07078	15.1
58.34261	1.6
66.91367	1.5
67.05502	8.1
68.13005	1.3
69.03426	6.1
69.07067	16.3
69.23782	1.5
71.08634	11.8
71.61846	2.0
72.08136	2.2
79.05505	4.2
81.07063	15.4
83.04975	5.7
83.08630	10.2
85.10182	5.6
89.78268	1.6
91.05477	19.8
93.07043	6.4
95.04964	4.0
95.08595	12.0
97.10176	5.5
99.03697	1.6
99.04449	2.1
105.07036	5.5
107.08602	4.5
109.06546	8.6
109.10159	6.7
111.04444	3.8
111.11710	3.0
111.35819	1.3
119.04940	32.9
119.08622	5.3
121.06506	4.7
121.10129	2.7
123.04413	21.3
123.08044	5.2
123.11731	3.5
125.05941	1.9
131.08551	1.9
133.10123	5.6
135.08066	4.5
135.11710	2.9
137.06000	13.1
137.09616	3.5
137.13261	1.9
143.08585	3.1
145.10126	1.5
147.08006	2.2
147.11723	2.3
148.38976	1.6
149.09622	2.6
149.13289	2.1
151.07574	4.6
151.11192	1.5
153.05464	3.2
155.07011	7.3
157.10159	3.6
159.11691	3.5
161.09586	7.0
161.13213	2.9
163.11183	2.4
165.05481	49.7
165.06868	3.5
165.09152	3.1
171.11725	1.6
173.09813	1.7
173.13268	1.8
175.11182	5.6
179.07066	5.9
179.10742	2.4
183.06535	13.3
189.12653	3.0
191.10718	2.6
193.12213	2.0
199.14708	1.4
203.10582	1.8
205.12231	2.2
207.10213	3.4
207.13762	2.2
221.11786	5.1
235.13335	2.1
249.14742	1.5
254.57939	1.5
385.34625	3.5
389.34546	2.6
403.35654	11.3
413.34448	2.2
431.35168	38.1
449.36261	100.0
450.36475	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	449.3262
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
51.84488	4.8
55.01860	5.6
55.05516	34.6
55.63499	4.0
56.45079	4.1
57.07076	6.8
61.79608	4.1
67.05496	33.3
69.07069	40.9
69.82115	27.4
70.06600	4.5
71.04980	7.5
79.05491	28.6
81.07053	79.6
83.04982	11.8
83.08623	20.2
85.06530	10.0
90.38921	4.7
91.05479	30.6
93.07040	77.0
95.08037	6.9
95.08609	90.9
97.06532	12.4
97.10161	15.1
98.21438	5.5
99.04447	6.2
101.06011	11.9
105.07030	55.4
107.08600	100.0
109.06488	6.5
109.10143	55.7
111.08071	8.2
115.07549	6.3
117.07006	9.8
119.08576	69.7
121.06528	7.6
121.10142	75.2
123.08057	10.8
123.11681	34.8
125.09666	7.3
129.06953	7.6
131.08598	22.8
133.10130	64.3
135.08055	21.9
135.11676	56.2
137.09578	5.4
137.13297	9.5
143.08595	11.1
145.10133	34.8
147.08029	9.6
147.11684	84.1
149.09666	5.6
149.13249	16.1
151.11180	12.9
151.14812	5.5
153.05467	5.3
153.09106	20.2
154.42746	5.1
155.08540	6.4
157.10135	20.1
159.11705	41.3
161.09566	13.8
161.13225	34.1
163.11212	9.8
163.14845	5.2
165.09047	6.4
165.12700	7.8
167.10680	15.4
171.11755	20.8
173.09647	7.3
173.13301	22.1
175.11191	8.5
175.14818	20.2
177.12743	13.5
179.10608	4.4
181.12209	21.0
183.11728	9.6
185.13269	20.1
187.14818	21.3
189.12756	13.9
189.16350	7.9
193.12325	7.7
195.13774	33.6
197.13249	10.4
199.14809	11.6
201.12668	7.1
201.16434	13.4
203.14339	14.9
205.12180	5.6
207.13754	25.9
209.15361	10.3
211.14786	6.0
213.16431	10.9
215.14330	5.6
215.17932	7.6
221.15395	40.0
223.16902	35.3
227.18095	5.9
229.15895	10.4
231.17403	8.2
233.15407	4.8
235.16870	21.7
237.18518	19.7
239.17947	10.1
243.17522	6.0
247.17107	6.1
249.18478	41.1
261.18524	15.3
263.20038	6.3
275.20132	20.0
289.21729	7.0
377.28232	11.2
389.28506	18.0
394.15717	4.4
395.29507	57.7
413.30472	35.3
431.31567	35.1
449.28366	40.2
449.81680	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	449.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.68835	0.9
55.05510	7.3
57.03417	1.0
57.07063	3.2
60.37233	1.1
65.03960	1.8
67.05510	11.8
69.03407	1.6
69.06761	1.2
69.07070	13.5
71.04986	1.5
71.08617	1.9
71.62052	1.6
79.05495	11.5
80.34158	0.9
81.07059	24.2
83.04962	1.8
83.08630	3.9
85.02885	2.2
91.05475	12.6
93.07040	20.9
95.04970	1.1
95.08610	41.2
97.06516	2.5
97.10153	1.8
99.08095	1.6
101.65794	1.0
105.07033	25.9
107.08591	34.6
109.06537	1.9
109.10158	20.0
111.08036	1.7
115.05433	1.6
117.07018	6.3
119.08582	35.4
120.08134	1.5
121.10145	19.2
123.08072	2.9
123.11718	8.0
125.06001	1.3
126.37454	1.0
128.06213	2.7
129.06985	4.2
130.07808	2.7
131.08578	17.2
133.10130	24.9
133.38701	1.1
135.08037	5.2
135.11690	15.9
137.13254	7.2
141.06993	2.5
142.07762	3.7
143.08563	11.5
144.09351	2.5
145.10124	37.7
147.08009	1.4
147.11676	15.3
149.09647	2.0
149.13235	12.5
151.14832	3.3
153.01808	1.1
154.07811	1.1
155.08562	4.1
156.09320	4.6
157.10123	17.8
158.10886	2.6
159.08069	1.4
159.11688	38.0
160.12372	1.1
161.09628	6.2
161.13240	13.6
163.07521	2.5
163.11133	2.3
163.14836	11.5
167.07132	1.5
167.08574	2.8
168.09396	1.7
169.10135	9.7
170.10880	3.9
171.08051	1.8
171.11696	13.4
172.12430	2.1
173.09607	2.8
173.13268	22.4
173.14665	1.8
175.11235	7.1
175.14807	12.6
177.09062	1.2
177.12518	1.0
177.16377	8.0
179.07042	1.4
179.08572	1.4
179.96631	1.1
181.10152	4.9
182.10986	2.9
183.11687	10.5
184.12540	1.1
185.09578	2.7
185.13242	11.9
187.11191	5.2
187.14824	14.6
189.09081	1.6
189.12779	5.8
189.16379	20.4
191.14389	2.7
191.17949	2.7
193.10175	2.3
194.10898	1.5
195.11699	6.6
196.12448	2.7
197.13225	11.4
199.11215	2.2
199.14816	13.3
201.12784	4.7
201.16371	39.5
201.18239	2.4
202.17239	1.6
203.10684	1.6
203.14365	3.2
203.17914	5.2
203.45929	1.0
205.12259	1.3
207.11736	4.8
208.12428	1.5
209.13264	6.5
211.11195	1.1
211.14809	7.2
213.12778	3.5
213.16408	7.7
215.10648	1.8
215.14366	6.4
215.17932	9.9
217.15909	2.6
220.12598	2.1
221.13458	1.7
223.14932	5.3
225.12827	2.6
225.16354	6.9
227.14253	5.5
227.17975	3.6
229.15849	1.2
229.19525	4.0
233.11601	1.8
234.14105	1.2
235.14906	3.0
237.16354	3.3
239.14351	1.9
239.18047	4.1
241.15855	3.0
241.19537	1.8
243.13889	1.6
243.17293	1.2
245.15381	1.9
249.16426	3.3
251.14221	1.6
251.17923	4.2
253.15849	2.8
253.19638	2.7
255.13916	1.8
255.17351	2.1
255.21085	2.0
259.13113	2.7
263.18033	3.8
265.19522	2.3
267.17468	2.5
267.20834	1.3
269.19128	1.5
273.15054	2.8
275.17844	1.5
277.19492	1.7
281.18985	1.2
287.05588	4.7
287.16928	3.0
291.17935	1.2
291.21057	1.9
295.20667	1.3
297.15186	1.2
303.04950	1.7
303.20972	1.4
304.21689	1.2
305.22699	1.6
307.20798	1.3
311.16541	1.8
311.20132	1.5
313.18042	1.9
317.22620	1.7
319.20584	1.5
325.17960	1.4
331.24493	1.1
339.19739	1.4
345.25800	1.5
347.23563	1.5
351.23093	1.7
353.20956	1.8
360.28305	1.7
361.25031	1.6
361.28900	4.0
363.23221	1.1
365.21152	1.6
375.30658	5.9
385.28647	1.5
387.30502	2.9
393.24072	1.3
403.24689	1.3
403.29987	22.8
405.31421	5.0
406.25388	1.6
407.25348	1.5
421.31223	8.1
431.29559	8.2
449.30530	100.0
450.30902	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	449.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
53.62886	0.6
57.03423	1.1
61.02929	1.7
67.05494	1.3
69.03421	2.8
71.04980	0.9
71.61817	1.0
76.24181	0.8
81.03406	2.1
81.07059	2.1
85.02902	6.7
91.03950	0.8
91.05474	1.2
93.07048	1.5
95.08594	0.9
97.02898	3.5
105.07028	1.1
107.04966	0.7
107.08611	1.8
109.02878	1.3
109.10144	0.9
113.44196	0.6
119.08576	1.5
121.02863	2.4
121.10135	2.1
124.07663	0.7
127.03912	1.3
133.10124	6.0
135.08018	0.8
137.02370	0.8
137.09641	2.7
145.04950	1.2
146.10440	0.8
153.01852	2.4
165.01846	1.6
181.12404	0.7
185.04214	1.5
185.05937	0.8
191.14278	3.3
193.35535	0.6
193.77487	0.7
205.12216	0.9
206.12611	0.8
213.05490	1.5
231.06384	0.7
241.46321	0.6
258.05258	0.9
287.02197	1.5
287.05521	70.7
287.12512	73.8
288.05869	1.4
288.12845	1.6
449.17853	100.0
450.18146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03443	5.3
59.59468	0.5
61.02921	1.5
64.81698	0.4
69.03431	0.9
69.59884	2.0
69.60291	1.4
73.02921	13.2
76.34349	0.4
85.02891	0.5
89.01812	0.5
92.02593	0.8
92.97760	0.5
93.03419	0.8
93.07065	0.5
98.20754	1.0
98.96432	0.4
107.08585	0.5
109.10181	0.5
115.03917	0.9
115.66532	0.5
121.02863	1.0
126.03149	0.8
128.43343	0.4
133.10078	0.6
139.03877	0.8
146.05545	0.5
151.03865	0.7
153.01823	7.4
159.11687	0.5
203.03494	0.6
217.05005	1.0
217.20122	0.5
228.04205	1.8
229.04886	3.4
231.02925	0.7
245.04477	1.3
246.05318	1.8
257.04538	2.3
273.03918	1.9
274.04718	2.8
280.24390	0.6
285.04004	3.7
287.05664	1.1
302.04233	12.8
317.06570	100.0
318.06873	2.2
398.33075	0.5
449.30457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	1.0
55.01866	0.6
55.05504	1.1
55.93002	0.4
57.03432	0.9
59.31761	0.5
61.02916	1.9
67.05495	1.1
68.99780	1.0
69.03429	4.2
71.04970	0.5
71.61336	0.6
73.02925	0.9
79.05486	2.0
81.03400	2.2
81.07050	2.2
83.04982	0.8
85.02908	9.1
85.06567	0.5
91.03973	0.5
91.05471	1.5
92.00020	0.5
93.07041	2.3
95.04924	0.5
95.08595	1.5
97.02893	4.8
99.04444	1.9
100.04743	0.6
105.07020	1.7
107.04967	1.0
107.08591	3.3
109.02879	0.8
109.06480	1.1
109.10138	0.7
111.00826	0.8
117.07034	0.5
119.08606	3.5
120.08880	0.7
121.02864	3.7
121.10144	2.5
122.07285	0.9
122.10522	0.6
123.11672	0.8
127.03923	2.6
131.08606	0.9
131.84514	0.5
131.85847	0.5
133.02843	0.6
133.10135	6.7
135.08032	1.5
135.11617	0.9
137.02367	0.8
137.09599	3.6
143.08539	0.6
145.04961	1.7
145.10103	2.1
146.10484	0.8
146.74973	0.4
147.04347	0.5
147.11652	1.4
153.01834	5.7
155.08546	0.5
157.06470	0.7
157.10080	0.9
159.11708	1.0
161.13150	0.5
163.11145	0.7
165.01837	2.1
165.12769	1.7
166.13190	0.5
171.11676	0.5
173.03036	0.5
173.09540	0.7
173.13274	1.1
181.12271	0.8
182.12614	1.0
183.02988	1.1
183.11667	0.8
185.13260	0.8
186.06822	0.8
187.14734	0.6
188.11430	0.6
189.16405	1.6
191.14255	3.6
192.11179	0.5
195.11720	0.6
197.13400	0.9
199.14867	0.9
205.12222	0.8
206.12596	0.7
209.13550	0.8
209.15384	4.0
210.15614	1.2
213.05429	2.1
215.14267	0.6
229.08630	1.6
231.06505	1.0
241.04926	1.1
252.13054	0.9
257.08035	1.0
258.05234	1.3
269.04373	0.6
287.05502	100.0
288.05823	2.5
298.04788	0.6
403.29724	1.2
422.95288	0.5
449.30603	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	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.83001	0.1
53.03933	0.6
53.24263	0.1
55.01860	0.6
55.65301	0.1
56.91067	0.2
57.03437	0.9
59.04973	0.2
60.55440	0.1
61.02919	1.2
65.03939	0.2
68.99480	0.1
68.99780	0.9
69.03065	0.2
69.03428	3.7
69.85253	0.4
69.85648	0.3
71.04977	0.4
73.02896	0.5
79.05480	0.3
81.03416	1.8
81.07039	0.2
81.44485	0.1
83.01328	0.3
84.25330	0.1
85.02901	9.1
87.04461	0.4
87.77574	0.1
91.03939	0.6
93.07010	0.2
95.04964	0.3
97.02883	3.4
97.95975	0.1
98.20822	0.3
99.04443	0.6
103.05430	0.2
105.03377	0.5
105.07031	0.3
107.04945	0.5
107.08570	0.2
109.02869	1.2
111.00774	0.7
111.04402	0.2
119.08524	0.2
121.02860	3.7
127.03925	1.6
133.02838	0.7
137.02324	1.1
145.04951	1.4
145.06445	0.3
147.04390	0.7
153.01820	5.1
157.06488	0.6
157.10101	0.2
157.33597	0.2
162.66104	0.2
165.01817	2.1
171.04466	0.4
183.02859	1.2
185.05905	0.7
189.05396	0.2
197.05968	0.2
200.91179	0.2
203.07008	0.3
207.42377	0.2
213.05458	1.7
229.04872	0.2
231.06543	0.8
241.04863	0.9
258.05228	1.6
259.05984	0.5
287.05478	100.0
288.05829	2.5
299.05615	0.3
329.06458	0.4
415.56802	0.2
430.90427	0.2
449.30676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01870	0.5
57.03435	1.0
59.04983	0.1
59.25987	0.1
61.02919	1.5
65.03937	0.1
67.01856	0.1
68.99798	0.8
69.00444	0.1
69.03426	3.5
69.07060	0.1
71.04968	0.4
71.61364	0.1
73.02906	0.5
79.05480	0.3
81.03415	1.9
81.07044	0.2
83.01330	0.2
85.02902	9.8
86.03221	0.1
87.04460	0.3
91.03946	0.6
91.05490	0.2
93.07040	0.2
95.04955	0.2
95.08606	0.2
97.02894	3.0
97.45547	0.1
98.97578	0.1
99.04465	0.6
103.05485	0.2
105.03391	0.3
105.07015	0.2
107.04940	0.4
107.08594	0.2
109.02859	1.0
109.10091	0.1
111.00790	0.9
111.04440	0.1
117.92143	0.1
119.08573	0.3
121.02866	3.0
121.03812	0.2
121.10115	0.2
127.03918	1.6
129.06976	0.2
131.08575	0.2
133.02834	0.5
133.10162	0.2
135.04424	0.2
137.02327	1.3
141.06982	0.2
143.08545	0.2
145.03883	0.2
145.04947	1.6
145.06474	0.3
145.10138	0.1
146.42737	0.1
147.04356	0.6
147.11699	0.2
151.03902	0.1
153.01820	5.1
157.06503	0.6
157.10184	0.1
159.11617	0.1
161.05971	0.2
165.01823	2.2
171.04430	0.4
171.11702	0.1
175.07538	0.1
183.02888	0.9
185.05905	0.7
189.05490	0.1
197.05984	0.2
199.03920	0.1
203.03403	0.1
203.06970	0.2
213.05443	1.9
217.04893	0.1
229.04955	0.3
229.08488	0.1
231.06487	0.8
241.04932	1.0
243.06400	0.2
258.05212	1.2
259.06036	0.6
269.04361	0.2
286.04688	0.1
287.05481	100.0
288.05801	1.9
299.05539	0.3
320.51443	0.1
329.06445	0.3
353.06558	0.1
413.08337	0.1
449.30774	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	449.1077
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.03939	0.5
53.31182	0.4
55.01857	0.5
57.03417	1.4
61.02923	2.2
62.83271	0.4
67.05515	0.4
68.32848	0.4
69.03413	0.5
69.43979	3.1
73.02918	13.5
75.60123	0.4
81.07051	1.1
85.02902	1.9
86.74820	0.5
92.02608	0.9
93.03416	0.9
93.07043	0.7
95.04953	0.6
95.08606	1.2
97.06521	0.6
105.07028	0.9
107.08593	1.4
109.10104	0.8
110.06034	0.5
115.03925	0.8
119.08567	1.4
121.02882	0.8
121.10152	0.6
126.03157	0.6
131.08580	0.9
133.10211	0.4
135.11714	0.5
139.03897	1.2
145.10146	1.2
151.03938	0.8
153.01822	6.3
154.78635	0.4
165.01820	0.6
171.11739	0.7
173.13300	0.8
175.14795	0.4
187.14815	0.5
201.05484	0.9
217.04959	0.7
228.04205	1.2
229.04933	3.4
245.04500	0.7
246.05226	1.6
257.04260	2.4
260.03226	0.5
273.03983	1.8
274.04770	4.2
284.03134	0.5
285.03955	4.4
287.05624	0.7
302.04202	13.4
303.04956	3.4
317.06564	100.0
318.07004	2.3
449.30624	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	448.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48983	3.7
53.52191	3.1
55.05508	6.0
57.07079	12.8
61.68242	3.4
64.80015	3.4
66.43871	3.6
66.60747	3.4
67.05521	3.9
68.44586	3.5
69.07063	12.7
69.44416	32.7
71.08630	7.4
72.87891	3.4
83.08632	10.9
85.10123	4.1
93.07124	3.4
97.10155	7.4
111.11718	6.5
119.08607	3.6
121.06513	10.4
135.08093	3.4
136.08839	13.5
137.09605	14.2
139.07504	4.0
151.07593	3.7
151.73366	3.6
164.08333	35.1
165.09120	100.0
166.09476	4.2
181.08559	5.4
205.12364	4.2
430.37952	54.7
448.38504	14.0
471.92563	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	448.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39721	5.0
51.49363	5.2
55.05502	13.0
57.07076	7.0
58.29480	5.1
61.20297	4.9
67.05518	28.5
67.34026	5.0
69.07052	20.5
69.12407	5.6
69.51701	31.8
72.87173	5.2
79.05496	20.3
81.03429	7.7
81.07050	44.6
83.08604	11.6
90.04343	5.6
91.05472	21.3
92.04608	5.1
93.07038	58.8
95.08601	61.0
97.06503	8.3
97.10183	10.9
99.04449	17.8
105.07016	43.9
105.41148	5.3
107.08589	72.0
109.06541	8.3
109.10156	38.8
109.10818	5.1
111.08006	7.0
119.08580	45.4
121.10140	52.4
123.08105	6.1
123.11713	12.5
129.07014	6.5
131.08543	19.2
133.10144	53.3
135.08061	6.3
135.11719	35.6
137.09630	9.0
143.08508	7.9
145.10129	45.0
147.11696	33.7
149.09642	6.8
149.13249	14.3
155.08636	7.4
157.10121	15.9
159.11697	41.3
161.13277	25.3
163.11145	6.6
163.14815	17.2
169.10185	8.3
171.11632	14.6
173.13264	9.8
175.14879	17.0
185.13307	9.3
187.14886	13.2
189.16373	23.1
191.10660	8.7
191.17894	18.0
193.12236	13.2
197.13290	10.1
199.14754	15.4
201.16380	19.8
205.12221	19.4
207.17418	14.0
217.19531	8.7
225.16620	5.9
227.17964	11.4
241.19572	21.4
243.21025	8.7
259.16946	8.9
367.29794	10.0
385.31058	25.4
395.29462	65.0
399.02490	5.5
413.30490	100.0
431.31659	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	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
56.96559	1.9
57.03428	1.2
57.07075	7.5
58.06593	2.4
63.19624	1.7
67.05492	3.5
69.07077	2.6
70.06590	17.4
71.08648	2.4
71.61333	1.4
71.61714	1.6
72.38625	1.0
77.59775	1.3
79.05486	3.1
81.07053	4.6
88.07628	19.4
91.05476	3.8
91.37846	1.4
93.07043	3.2
95.08597	3.5
97.06532	1.3
101.80616	1.2
102.09176	14.0
104.02588	2.1
105.07018	2.4
107.08614	2.2
108.05247	1.0
109.10148	1.6
111.99117	1.3
119.04916	1.9
119.08578	2.3
121.10164	2.2
132.02068	7.4
133.10243	1.1
136.01564	7.3
145.10143	1.6
147.04401	23.4
147.05490	1.9
148.05157	1.5
149.02319	1.1
175.03899	43.5
176.04671	2.3
180.04185	8.8
187.14954	1.2
191.07001	2.1
193.50558	1.1
219.06522	79.7
256.26349	45.9
395.29416	1.3
448.30600	100.0
449.30890	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74916	3.5
54.53582	3.4
55.01868	8.6
55.05508	4.3
66.62358	3.3
67.05484	4.0
69.66138	3.4
71.01362	3.4
71.04980	11.6
71.40569	6.5
71.40878	3.2
79.05480	6.0
79.51028	3.2
81.07059	11.8
85.02885	7.8
89.70926	3.3
91.05483	12.7
93.07057	45.7
95.04972	4.4
97.02879	5.8
97.06528	5.6
97.70041	3.4
99.04460	48.4
105.07044	25.0
105.84820	3.1
107.08588	15.7
109.06508	5.5
117.07001	4.1
119.08566	26.3
121.10154	61.9
131.08592	19.8
135.08052	18.8
135.11649	4.2
143.08540	7.3
144.09305	4.4
145.09015	6.3
145.10130	88.2
147.08104	3.9
147.11757	4.8
149.09555	3.7
151.07574	3.6
153.09088	3.7
155.08597	4.0
155.11360	3.2
157.10115	5.6
157.82173	3.6
159.08035	4.2
159.11755	24.8
163.07596	6.2
163.11205	34.8
169.10136	6.5
173.09625	37.9
175.11218	4.2
179.74568	3.9
181.12241	100.0
187.11200	64.9
189.12711	6.5
191.10696	26.3
205.12244	90.3
215.10669	30.3
217.12291	6.2
233.11740	34.0
235.13275	9.5
251.12816	46.6
287.05505	37.0
337.72919	3.5
387.01761	3.8
451.16635	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
55.05504	4.0
62.45735	3.8
65.28330	3.5
67.05489	6.1
69.03461	4.9
69.42860	18.1
69.43260	8.2
71.04979	14.2
73.02916	6.3
79.05484	13.2
81.07047	13.2
85.02899	10.1
85.06534	6.3
91.05486	19.4
93.07047	56.1
95.04932	9.6
95.08578	4.1
97.06503	4.8
98.21564	3.7
98.97586	4.6
99.04462	57.6
105.07037	29.7
107.04926	4.7
107.08613	19.8
109.06516	3.3
113.05934	4.5
117.07000	13.1
119.08590	43.5
121.06493	11.3
121.09308	5.1
121.10146	75.0
129.07040	4.5
131.08568	21.5
133.10141	7.3
135.08047	13.8
135.11665	8.1
143.08548	7.2
144.09393	6.4
145.10123	100.0
146.84122	3.4
147.11671	4.9
149.99844	4.0
153.09117	3.9
157.10095	7.1
158.99530	3.9
159.11708	28.3
163.07556	5.0
163.11171	36.6
169.10136	4.8
170.99620	3.4
173.09630	47.2
175.11179	5.4
177.09151	3.8
181.12236	93.5
187.09534	4.2
187.11183	71.2
189.12682	5.0
191.10617	18.5
205.12245	86.8
215.10683	36.9
217.12251	8.8
233.11713	31.7
235.13266	11.5
237.02711	4.3
251.12807	44.2
252.09418	12.2
280.94949	3.9
287.05521	10.3
427.19626	5.8
449.16891	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	447.3834
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03947	1.3
55.01861	1.0
55.05257	0.6
55.05512	10.5
57.01742	0.4
57.07074	6.7
67.05501	3.1
69.03423	1.1
69.07069	6.5
70.98152	0.5
71.08625	5.1
71.09526	0.6
71.09870	0.9
79.05489	2.2
81.07050	4.8
83.04984	28.9
83.08601	4.3
85.10174	2.5
91.05466	2.9
93.07045	7.5
95.04951	1.3
95.08608	5.0
97.06519	1.0
97.10166	3.0
99.08083	1.2
105.07036	1.6
105.94426	0.6
107.08577	4.1
109.06513	2.4
109.10170	2.1
111.04467	1.1
111.08068	3.4
111.11703	1.1
117.07055	0.9
119.08603	1.4
121.06506	16.0
121.10143	1.8
123.08051	2.9
123.11729	0.8
125.06016	1.2
125.09605	0.6
127.07552	6.9
133.10120	1.1
135.08057	9.3
135.11699	1.1
137.06030	1.0
137.09624	3.7
137.13245	0.7
139.07542	44.9
145.10098	1.1
147.11664	0.8
149.09589	2.6
149.13277	0.8
151.07562	1.6
153.09120	4.3
159.08112	0.5
159.11732	0.8
161.13316	0.6
163.07541	9.3
163.11145	1.4
165.09091	2.8
167.07068	3.9
167.10674	1.9
169.08606	0.9
173.13208	0.6
177.09140	1.0
177.12788	1.1
181.08597	11.0
181.12119	1.2
191.10680	0.7
191.14333	0.5
195.10118	0.7
195.13786	0.9
195.31335	0.5
205.12224	1.0
209.11856	0.8
209.15521	0.7
223.13281	1.2
237.14908	2.0
251.16452	2.1
255.22833	0.6
285.14819	0.5
293.21115	0.8
303.30298	0.5
307.22815	1.3
321.24301	1.1
387.36539	0.8
401.38202	0.7
405.37622	0.7
429.37476	2.0
447.38397	100.0
448.38904	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3832
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05511	48.8
56.23208	2.8
57.07076	78.4
67.05500	8.0
69.07068	100.0
69.93181	5.9
69.93574	7.4
71.08635	60.3
75.33698	2.7
81.07072	14.3
83.08622	65.7
85.10184	30.0
86.36148	3.6
93.07027	3.6
95.08596	12.7
97.10170	67.4
105.06993	2.9
107.08587	10.3
109.10183	2.9
111.08115	4.1
111.11715	55.4
119.08519	2.8
121.06551	4.3
123.11775	3.9
125.13250	17.5
135.08051	12.6
137.09650	9.3
139.07538	27.2
139.14751	6.0
149.02325	22.0
149.09642	10.0
151.06496	2.7
151.07553	18.6
153.09047	18.6
163.07547	6.5
165.09126	70.6
166.06290	5.9
167.07085	6.9
169.08589	11.4
170.12605	2.9
177.09140	11.4
177.12595	3.6
179.10727	6.9
181.08603	42.6
187.11261	4.5
191.10652	9.4
205.12291	8.1
212.72977	3.2
243.64723	3.0
398.56384	3.1
406.97910	3.2
429.37167	23.9
430.37796	5.3
447.38361	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3468
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03931	1.0
55.05511	17.2
57.03421	0.7
57.07081	8.3
60.28315	0.6
67.01849	1.4
67.05499	5.6
69.07066	29.5
70.03506	2.3
71.08633	5.2
79.05477	2.4
81.07058	14.6
83.04961	1.7
83.08612	16.1
85.10166	2.3
91.05476	3.5
93.07047	7.2
95.08603	12.3
97.10174	8.7
105.07012	2.2
107.08559	2.1
109.06519	2.6
109.10158	6.2
111.08064	1.1
111.11712	4.2
111.22869	0.6
119.04904	0.6
119.08549	2.0
121.06490	2.3
121.10105	1.4
123.08067	2.5
123.11726	3.6
125.13261	2.0
129.07111	0.6
131.08557	2.1
133.06470	1.4
133.10138	1.6
135.08069	2.3
137.04967	1.2
137.05971	13.4
137.13231	2.1
139.03941	0.9
139.07536	4.4
142.07852	0.7
143.08562	0.9
147.08046	2.5
147.11655	0.7
149.05986	4.6
149.09669	1.0
149.13251	0.9
151.07535	24.8
151.14832	1.3
153.05443	1.1
155.08380	0.9
157.10211	1.0
159.08055	1.7
159.11662	0.7
161.05962	3.8
161.09628	2.2
163.07547	1.0
165.05475	9.2
165.09108	8.2
165.16377	0.7
167.07036	100.0
168.07271	0.8
173.09613	1.4
175.07538	4.0
175.11214	1.0
177.09096	4.0
178.06323	0.7
179.07051	4.3
179.10634	3.0
181.08572	4.5
185.09644	0.6
187.07533	0.7
188.08395	1.1
189.09103	6.3
191.06990	4.0
191.10661	1.8
192.07831	1.8
193.08618	6.1
193.12286	0.7
195.10170	1.8
199.11197	1.1
201.09142	2.2
203.10649	3.5
205.08585	12.2
205.12251	2.8
206.09290	0.6
207.10156	9.8
208.26721	0.6
215.10742	1.5
217.12248	2.5
219.10167	7.2
221.11740	4.6
229.12230	0.9
231.13812	1.5
233.11693	3.3
235.13356	2.4
247.13347	1.5
249.14937	1.0
277.17990	0.8
291.19437	1.7
319.22668	0.9
341.67303	0.7
347.25616	0.9
367.76254	0.6
368.25912	0.6
401.34036	0.7
411.32547	3.5
424.23322	0.7
429.33670	14.3
430.34531	0.8
447.34680	21.2
448.35660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3465
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.01870	0.6
55.05497	1.3
57.07075	7.1
66.66673	0.3
67.05496	1.2
69.07070	1.8
70.49557	1.0
71.01382	0.3
71.01849	0.4
71.08636	3.3
79.05494	1.3
81.03408	0.4
81.07058	2.2
83.01313	0.5
83.04984	0.4
83.08585	0.4
85.10193	1.7
89.38061	0.3
91.05486	0.9
93.07049	1.4
95.01314	2.1
95.04959	0.5
95.08599	1.9
97.02870	0.4
97.10168	0.3
98.20800	0.4
99.00819	8.7
99.04451	2.4
105.07055	0.5
107.04957	0.4
107.08592	1.2
109.02880	0.7
109.06488	0.3
109.10166	0.8
111.04397	0.6
112.80334	0.3
113.02347	1.9
117.01842	1.1
117.06973	0.5
119.08594	0.8
119.45026	0.3
121.06519	0.6
121.10153	0.5
123.04396	0.5
123.08096	0.4
123.11680	0.3
125.05974	1.1
129.06931	0.4
131.08565	0.4
133.10176	0.4
135.04395	1.0
135.08046	1.3
135.11699	0.7
137.05975	0.8
139.07475	0.4
149.02429	0.4
149.05969	1.3
149.09590	0.5
151.07515	0.7
153.05460	2.5
163.07500	1.5
163.11166	0.5
165.09131	0.8
167.07117	0.4
175.14957	0.4
176.10912	0.3
177.05586	0.3
177.09087	1.9
181.04961	13.4
183.06541	0.8
191.07060	1.6
191.10680	0.9
191.59004	0.3
195.06525	25.9
196.06880	0.4
197.08017	0.3
205.08577	1.0
205.12384	0.4
209.08086	15.1
219.10246	0.7
223.09648	13.5
237.11211	10.4
237.13670	0.4
251.12775	8.2
265.14325	3.8
279.15875	2.4
293.17471	1.4
307.19153	1.2
321.20731	1.3
335.22113	1.2
349.23901	0.4
377.26917	0.6
391.28561	0.7
429.33618	0.6
447.34695	100.0
448.35074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40799	1.7
51.56969	1.8
53.03950	12.3
53.66602	1.8
55.01857	6.1
55.05259	2.2
55.05509	36.3
56.18960	1.9
57.03437	13.7
57.07060	3.2
64.21506	1.9
65.03934	4.8
67.05505	74.9
69.03418	7.8
69.06720	2.1
69.07067	25.5
71.01341	4.8
71.04974	7.3
77.94693	1.8
79.05494	76.6
81.03419	95.1
81.07061	55.3
82.47198	1.8
83.04980	20.3
83.08624	24.0
85.02908	4.5
85.06533	8.2
88.71056	2.0
91.05477	55.8
93.07047	79.0
95.04968	42.2
95.08015	3.2
95.08599	26.4
97.02863	5.4
97.06546	14.7
97.10173	20.6
98.97540	2.8
99.08053	3.1
103.05475	4.1
105.06377	3.4
105.07035	42.6
107.04971	15.0
107.08601	52.5
109.02904	2.7
109.06541	10.2
109.10137	16.7
111.04413	4.3
111.08078	10.3
115.05386	2.7
117.07017	15.9
119.04939	2.7
119.08574	28.4
121.06519	13.0
121.10145	21.8
123.04393	2.9
123.08046	4.9
123.11723	3.3
124.08360	1.9
125.05990	3.0
125.09611	9.9
127.07525	1.9
128.06221	3.4
128.93073	2.0
129.07007	19.8
131.08585	25.6
133.06467	8.0
133.10126	19.7
135.08015	7.5
135.11696	55.1
137.05940	5.3
137.09569	4.3
139.03778	2.3
139.07541	2.3
141.07010	2.6
142.07770	3.3
143.08539	8.5
145.06465	6.5
145.10135	24.0
147.08055	9.7
147.11679	15.2
149.02367	3.2
149.09595	6.9
149.13278	2.9
151.07509	7.3
153.05441	3.7
155.08553	4.7
157.06525	2.6
157.10152	21.5
159.08073	2.6
159.11674	6.7
161.09628	4.1
161.13283	4.2
163.11237	12.2
165.09132	5.9
165.12718	2.9
167.07022	6.1
167.08405	3.5
169.09973	4.1
171.11664	4.5
173.09619	3.0
173.13306	5.2
175.11157	14.6
175.14819	4.3
177.09058	2.0
177.12785	2.7
181.12276	9.7
183.11694	4.4
185.13220	7.1
187.11201	3.9
187.14844	2.7
189.09126	2.5
189.11125	3.6
189.16389	2.3
191.10686	4.3
193.04753	2.3
193.12236	38.6
197.13326	3.1
199.11227	1.9
199.14853	2.4
201.12773	2.8
203.10571	2.2
203.14386	4.6
205.12152	2.7
211.11435	2.4
211.13335	2.5
215.14333	2.5
234.37517	1.9
237.14761	2.3
238.89578	2.0
243.13721	2.7
249.14771	4.4
275.19958	3.2
309.22208	2.8
329.21014	11.0
337.21597	7.7
347.22156	2.6
349.23410	2.9
355.22610	14.7
373.23682	10.0
391.24701	2.4
403.24738	7.4
411.29004	3.5
429.26346	9.4
447.27316	100.0
448.28003	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	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18968	3.9
53.03951	3.9
55.01867	8.1
55.05502	14.2
57.03445	25.6
57.03680	5.2
57.07071	6.2
59.04991	8.8
61.02926	17.4
65.03911	4.3
67.05501	30.2
69.03431	32.0
69.07086	23.1
69.92284	19.6
71.01358	6.3
71.04985	7.4
71.84042	3.3
73.02921	100.0
79.05468	20.2
81.03422	8.8
81.07050	67.9
83.04971	21.7
85.02901	39.1
85.06557	7.8
86.09715	4.7
91.05492	18.0
93.07040	42.8
95.04964	28.2
95.08622	40.5
97.02894	24.1
97.06523	10.4
98.21479	4.8
98.97595	13.5
99.04457	5.2
103.03905	10.6
105.07030	22.2
107.08587	31.6
109.06503	12.3
109.10156	13.9
110.97590	4.7
111.04441	4.0
111.08073	5.7
115.03889	19.6
116.98580	4.2
117.06980	6.0
117.44711	3.8
119.08585	20.1
121.06512	9.0
121.10142	16.9
123.04404	5.3
123.08073	8.3
123.11741	7.6
125.05990	15.7
127.03884	5.7
131.08565	10.4
133.04991	13.0
133.06488	4.4
133.10132	11.1
135.08060	12.9
135.11691	26.2
137.05971	11.2
137.09605	7.9
137.13232	19.6
141.09035	4.2
145.10094	8.9
146.11797	4.3
147.08034	7.3
147.11653	11.2
149.09630	16.8
151.07507	6.9
151.11177	16.3
153.09140	5.0
153.12721	7.6
160.62151	3.8
161.09613	6.1
161.13263	4.1
163.07523	5.2
163.11165	8.5
165.09175	5.6
165.12726	34.9
169.10112	4.2
169.34720	3.9
173.08182	25.4
173.13205	5.7
177.00812	4.2
177.12758	19.9
179.03314	3.9
179.10695	6.6
179.14227	5.6
189.12572	4.2
195.10133	5.5
195.13820	8.2
199.09650	4.8
201.12767	5.3
207.13797	11.2
219.13847	4.8
223.09570	4.4
231.13750	5.2
236.89011	4.5
237.14864	11.7
249.02705	4.7
252.09488	11.2
252.59570	12.7
252.97748	4.1
259.24536	4.2
261.14868	9.4
267.15692	6.7
279.15875	16.6
297.17014	31.2
309.16891	7.4
315.18036	8.8
447.17212	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	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01861	12.2
55.05501	13.5
56.96549	8.0
57.03436	26.8
59.04980	6.1
61.02911	18.5
67.05505	27.2
69.03428	25.7
69.07070	15.3
71.01339	3.9
71.04991	6.2
71.61646	9.2
72.08148	13.0
73.02918	100.0
76.19624	3.7
79.05497	13.3
79.90453	4.5
81.03401	13.0
81.07054	66.9
82.44633	4.0
83.04980	25.8
85.02910	40.2
85.06540	9.7
86.09693	16.3
87.04474	8.4
90.06490	4.1
91.05463	16.7
93.07042	43.6
94.07361	4.0
95.04964	18.3
95.08603	33.2
95.80785	4.1
97.02872	32.8
97.06527	11.2
98.97597	14.2
99.08104	4.5
103.03940	13.2
105.07022	22.2
107.04955	6.3
107.08591	32.5
109.06517	15.6
109.10146	21.6
110.97593	4.8
111.04422	5.0
111.08086	8.2
115.03936	26.2
116.98610	6.1
117.07001	5.8
119.08539	22.4
121.06512	6.7
121.10142	18.3
123.08062	9.2
123.11723	5.0
124.03947	5.6
125.06025	9.4
127.03921	6.2
129.07060	5.0
131.08522	12.7
133.04980	14.2
133.10130	11.8
135.08011	13.4
135.11693	19.3
137.05952	8.3
137.09615	15.3
137.13264	17.3
145.10118	8.5
146.11751	4.2
147.08067	8.3
147.11694	13.1
149.09645	11.0
149.13350	4.0
151.07549	9.3
151.11182	17.0
153.12769	5.0
157.10124	6.6
159.08067	5.3
159.11667	5.6
161.09691	5.6
161.13266	4.0
163.11150	8.8
165.09145	8.6
165.12714	33.5
170.99553	4.2
173.08104	26.8
173.09502	7.7
173.13234	6.0
175.11238	8.7
177.09204	5.2
177.12724	15.0
179.03415	8.1
179.10651	7.7
180.03676	5.1
189.12660	5.1
193.12256	4.4
203.10634	5.6
207.13844	16.8
219.13789	7.1
223.09688	7.0
233.09155	4.4
237.02707	5.2
237.14865	5.1
249.02856	10.3
252.09340	20.0
252.59497	9.6
255.14015	4.4
261.14758	9.2
268.08060	5.3
279.15909	19.3
297.17029	42.3
303.04971	6.0
309.17197	6.3
315.18195	9.4
429.21335	8.2
447.11099	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	447.2202
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
55.05502	1.1
56.68587	0.4
67.05496	1.2
69.03429	0.6
69.07074	0.9
70.64508	1.3
71.04996	0.5
78.32487	0.4
79.05475	1.2
81.07069	2.4
83.04992	0.7
83.08604	0.7
91.05480	0.9
93.07044	1.6
95.04994	0.5
95.08627	2.1
100.11258	1.1
102.44900	0.4
105.07047	1.1
107.08601	1.4
109.06503	0.9
109.10159	1.4
111.08061	0.5
119.08578	0.9
121.10123	0.9
123.08065	0.4
123.11736	0.6
131.08580	0.4
133.10129	0.6
135.11696	0.5
137.05959	0.9
137.09616	0.6
145.10120	1.3
147.11691	0.8
149.02469	0.6
149.09563	0.4
151.07532	0.8
157.10077	0.5
159.11725	0.5
163.07442	0.5
167.07010	0.7
170.15494	0.4
182.15375	0.6
191.10634	0.6
198.14905	0.6
238.82324	0.4
263.37335	0.4
275.07327	0.4
315.17682	0.8
429.30179	0.9
447.22034	100.0
448.22308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
57.03421	0.4
61.02938	0.4
64.40376	0.4
67.05493	0.5
69.03423	1.1
69.07062	0.6
71.04991	0.6
71.60416	0.6
72.08154	1.8
73.02896	0.7
83.04961	0.5
84.04545	0.4
85.02919	2.6
86.09705	2.8
86.65363	0.3
91.05817	0.5
95.04939	0.4
97.02882	0.9
98.97560	2.3
99.38218	0.3
109.02917	0.4
112.99161	0.4
116.98634	0.8
127.03931	0.6
143.00104	0.6
149.02385	0.5
154.06270	0.5
155.21054	0.4
158.99615	0.6
163.03957	1.5
179.03404	0.5
182.08124	0.4
193.11790	0.4
201.00990	0.4
203.07430	0.6
219.01793	1.0
228.16399	0.4
228.65901	0.4
237.02776	0.9
266.72299	0.3
273.07559	0.9
273.41812	0.4
301.12601	8.2
361.02960	0.6
447.18369	100.0
448.18723	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	447.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80640	0.4
51.81948	0.3
53.75821	0.4
70.03728	0.3
71.36118	0.8
72.08151	0.5
73.04758	1.0
81.03398	0.4
85.02914	0.5
91.05780	1.4
96.50597	0.3
97.02911	0.6
98.97581	1.5
116.98692	0.5
149.02348	0.5
158.99706	0.4
163.03918	0.7
167.05577	0.4
177.00786	0.7
219.01717	0.5
273.07602	0.3
315.10547	6.6
317.08441	1.6
335.09604	0.8
361.02655	1.1
447.14734	100.0
448.15060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76480	0.4
51.55666	0.4
55.05514	2.6
55.93169	0.3
57.07058	0.9
62.64423	0.4
67.05511	3.5
69.07070	3.5
69.27792	4.2
70.07401	0.5
79.05467	0.8
81.07079	2.2
82.31618	0.4
83.04976	0.5
83.08615	2.0
85.54007	0.4
91.05473	1.1
93.07044	2.2
95.08588	1.8
96.08941	0.4
97.10165	1.0
98.21495	0.9
105.07008	0.7
107.04959	0.4
107.08590	1.1
109.10167	5.3
110.10463	0.5
119.08598	2.5
119.95425	0.5
121.05639	0.7
121.06506	9.9
121.10150	0.5
122.07267	1.7
123.11749	0.5
135.08049	1.5
136.08853	12.6
136.15218	0.4
137.05992	0.7
137.09628	12.7
138.10020	0.6
139.07526	0.4
143.08606	0.4
149.09610	1.7
150.09952	0.7
151.07561	1.2
152.08273	1.2
159.11656	0.8
163.11198	1.6
164.08337	30.2
164.11382	0.9
165.09120	100.0
166.09467	7.9
176.08330	0.4
177.09105	1.6
178.09608	0.7
181.04977	1.1
187.11183	1.0
189.09105	1.5
190.09848	1.0
191.10648	1.2
192.11078	0.6
203.10591	0.8
204.11217	0.4
205.12270	7.1
206.12662	0.4
221.08093	11.3
428.36536	3.5
446.37610	72.6
447.38022	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05519	34.4
57.07072	31.0
62.30021	4.0
65.03954	5.4
67.05507	62.9
69.07069	64.7
69.69633	11.5
69.70046	10.9
71.04985	4.5
71.08614	17.9
79.05499	25.3
81.07063	100.0
83.04973	5.3
83.08616	32.5
85.06525	6.3
85.10178	4.0
91.05499	12.6
93.07052	35.6
94.07404	4.9
95.04955	7.7
95.08617	97.8
97.06553	6.9
97.10182	29.1
105.07026	24.0
107.08609	33.8
109.10168	49.6
111.04430	8.5
111.08118	4.2
111.11726	13.4
117.06991	6.8
119.08598	23.5
121.06493	3.8
121.10157	31.8
123.04415	4.8
123.08081	10.3
123.11721	24.4
124.96643	3.7
125.09605	4.0
125.13209	3.7
131.08592	5.3
133.10153	18.3
135.08041	5.4
135.11702	24.8
137.05968	12.6
137.09631	9.3
137.13271	13.5
143.08542	5.8
145.10143	13.4
147.11719	18.1
149.09633	8.3
149.13272	12.8
151.07640	5.4
151.11200	5.5
151.14862	5.3
157.10156	9.3
159.11714	11.4
161.13248	6.1
163.03967	5.6
163.14792	11.6
165.09105	60.9
169.05060	4.1
169.08594	10.1
169.10078	4.1
171.11639	5.5
175.14809	6.0
177.09125	4.7
178.16991	4.7
179.10703	6.2
181.04878	7.2
187.14752	5.6
189.16396	9.3
191.10710	4.9
201.12766	5.5
205.12193	8.1
205.19777	4.6
207.10146	4.4
207.17361	6.1
213.16368	4.4
231.13887	4.3
235.20500	4.2
240.95868	4.2
319.19321	5.8
322.28903	4.1
338.98022	4.3
363.28958	7.2
373.34543	4.7
381.31558	5.7
391.35721	33.0
399.32474	13.8
409.30887	10.2
427.31348	21.8
445.33246	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35224	2.3
55.01865	5.5
55.05510	13.6
56.96558	1.7
57.03439	2.4
57.07067	6.6
65.03918	2.4
67.05507	21.5
69.03425	3.3
69.07066	20.0
71.04988	5.3
71.62313	2.9
73.04720	1.8
79.05494	16.8
81.07059	49.1
83.04977	3.1
83.08624	11.4
85.06521	7.8
91.05445	18.3
93.07043	47.8
94.07395	2.5
95.04968	5.1
95.08611	66.7
97.06519	8.6
97.10136	5.3
99.04421	2.6
99.08089	4.3
103.05453	2.3
105.06380	2.5
105.07037	32.2
107.04953	2.4
107.08597	68.1
109.06516	5.6
109.09444	2.9
109.10159	43.2
111.08077	7.9
112.63435	2.0
117.07011	7.1
119.08583	45.1
121.06477	4.1
121.10143	48.1
123.08056	7.9
123.11709	21.1
125.09654	4.4
128.40297	1.9
131.08566	15.7
133.10138	36.0
135.08060	2.4
135.11694	52.0
137.09586	7.7
137.13243	5.3
139.11168	4.9
143.08597	5.5
145.10124	26.7
147.11693	23.8
149.09572	4.0
149.13254	15.6
151.03867	2.3
151.11168	5.2
151.14832	3.3
157.10115	6.3
158.10895	2.6
159.07907	2.2
159.11694	20.2
161.09613	2.6
161.13292	23.4
163.11169	4.5
163.14822	19.9
165.09096	5.4
165.12756	3.3
167.07048	2.7
167.10580	2.4
169.10103	3.5
171.11668	7.0
173.13254	13.6
173.85965	1.9
175.11134	2.2
175.14793	13.5
177.12762	5.2
177.16354	9.7
179.14293	5.5
179.72406	2.0
183.11678	3.6
185.13245	5.0
187.11147	3.2
187.14836	14.1
189.16391	17.2
191.14395	4.9
191.17957	28.2
199.14815	4.0
201.12714	9.1
201.16376	9.7
203.14331	4.1
203.17953	13.6
205.12224	2.4
205.15837	10.3
205.19516	2.6
207.17473	14.7
211.14746	2.8
213.16374	5.2
215.14365	4.0
215.17990	6.0
219.13759	7.5
219.17456	8.4
227.17937	4.9
229.19482	5.6
231.17450	2.7
237.18385	2.4
241.15883	2.5
243.20999	3.0
245.18970	3.3
255.21121	2.4
359.02560	4.7
373.31290	3.0
387.19876	1.9
391.33716	2.0
409.30298	3.8
409.35400	10.3
427.31369	9.8
427.36533	47.6
445.37198	100.0
446.36920	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
53.35224	2.3
55.01865	5.5
55.05510	13.6
56.96558	1.7
57.03439	2.4
57.07067	6.6
65.03918	2.4
67.05507	21.5
69.03425	3.3
69.07066	20.0
71.04988	5.3
71.62313	2.9
73.04720	1.8
79.05494	16.8
81.07059	49.1
83.04977	3.1
83.08624	11.4
85.06521	7.8
91.05445	18.3
93.07043	47.8
94.07395	2.5
95.04968	5.1
95.08611	66.7
97.06519	8.6
97.10136	5.3
99.04421	2.6
99.08089	4.3
103.05453	2.3
105.06380	2.5
105.07037	32.2
107.04953	2.4
107.08597	68.1
109.06516	5.6
109.09444	2.9
109.10159	43.2
111.08077	7.9
112.63435	2.0
117.07011	7.1
119.08583	45.1
121.06477	4.1
121.10143	48.1
123.08056	7.9
123.11709	21.1
125.09654	4.4
128.40297	1.9
131.08566	15.7
133.10138	36.0
135.08060	2.4
135.11694	52.0
137.09586	7.7
137.13243	5.3
139.11168	4.9
143.08597	5.5
145.10124	26.7
147.11693	23.8
149.09572	4.0
149.13254	15.6
151.03867	2.3
151.11168	5.2
151.14832	3.3
157.10115	6.3
158.10895	2.6
159.07907	2.2
159.11694	20.2
161.09613	2.6
161.13292	23.4
163.11169	4.5
163.14822	19.9
165.09096	5.4
165.12756	3.3
167.07048	2.7
167.10580	2.4
169.10103	3.5
171.11668	7.0
173.13254	13.6
173.85965	1.9
175.11134	2.2
175.14793	13.5
177.12762	5.2
177.16354	9.7
179.14293	5.5
179.72406	2.0
183.11678	3.6
185.13245	5.0
187.11147	3.2
187.14836	14.1
189.16391	17.2
191.14395	4.9
191.17957	28.2
199.14815	4.0
201.12714	9.1
201.16376	9.7
203.14331	4.1
203.17953	13.6
205.12224	2.4
205.15837	10.3
205.19516	2.6
207.17473	14.7
211.14746	2.8
213.16374	5.2
215.14365	4.0
215.17990	6.0
219.13759	7.5
219.17456	8.4
227.17937	4.9
229.19482	5.6
231.17450	2.7
237.18385	2.4
241.15883	2.5
243.20999	3.0
245.18970	3.3
255.21121	2.4
359.02560	4.7
373.31290	3.0
387.19876	1.9
391.33716	2.0
409.30298	3.8
409.35400	10.3
427.31369	9.8
427.36533	47.6
445.37198	100.0
446.36920	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
55.05510	4.7
57.03436	4.2
57.07073	1.7
63.11784	1.2
67.05513	9.7
69.07073	6.8
69.50723	5.7
69.51135	2.6
78.08958	1.3
79.05470	6.4
81.07056	17.7
83.08629	4.8
85.06549	6.5
89.02019	1.3
91.05470	6.9
93.07043	20.6
95.08610	30.3
97.10171	1.7
105.07039	20.0
106.61007	1.3
107.08603	26.8
109.06546	1.7
109.10159	20.1
111.08080	5.1
113.09650	5.9
115.05383	1.6
117.07041	2.5
119.08584	33.4
121.10146	22.6
123.08105	1.7
123.11719	11.4
125.09621	2.9
129.09123	4.4
131.08583	6.5
133.10130	42.7
135.11700	27.2
135.68724	1.2
137.09602	1.7
137.13297	3.5
139.11160	2.2
145.10133	17.1
147.11682	47.0
149.13268	8.2
151.11192	3.3
157.10132	3.5
159.11705	13.4
161.13261	12.0
163.14832	10.7
165.80807	1.4
171.11678	2.5
173.13300	8.9
175.14798	7.9
177.16362	2.8
179.14348	1.9
181.00504	1.2
185.13246	3.5
187.14845	13.8
189.16391	25.5
191.17950	4.4
199.14839	1.5
201.16393	14.3
203.14294	3.4
203.17932	25.1
207.17455	22.8
213.16359	3.1
215.17918	7.2
217.19551	4.0
219.17451	7.2
221.19049	4.9
221.53644	1.4
223.17070	1.8
229.19540	4.6
237.18398	1.7
241.19562	2.1
243.21082	1.8
255.21170	2.5
269.22668	2.2
298.80121	1.4
391.33716	3.2
409.34671	22.4
427.35922	12.3
445.36859	100.0
446.37305	2.7
466.99878	1.5
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	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
53.03927	2.8
55.05508	9.2
57.07076	4.0
65.03946	1.8
67.05511	14.2
69.07066	14.3
69.61320	11.5
71.04997	3.7
79.05498	10.1
81.07057	30.2
83.08632	6.2
85.06544	23.6
87.04497	1.8
91.05473	8.8
93.07049	26.6
95.08610	47.2
97.06551	3.6
97.10186	5.2
98.71335	1.8
99.08073	2.7
105.07033	20.1
107.08591	36.9
107.09279	2.5
109.10155	28.3
111.08121	5.6
111.11761	2.2
113.09683	3.8
117.07004	2.7
119.08585	37.3
121.10139	30.9
123.11668	15.4
125.09627	2.3
129.09126	2.4
131.08592	8.8
133.10141	33.2
135.11682	28.9
137.09644	1.8
137.13275	4.5
139.11176	2.4
145.10118	15.7
147.11690	27.6
149.13271	10.4
151.11223	3.8
151.15038	1.6
157.10120	4.3
159.11676	13.8
161.13258	25.0
163.14828	18.0
165.09120	2.0
165.12843	2.4
171.11688	3.5
173.13243	9.4
175.14775	10.7
177.12895	1.7
177.16432	5.2
179.14435	2.6
185.13335	2.6
187.14836	13.1
188.86162	1.7
189.16386	31.2
191.17931	11.1
199.14897	4.4
201.16409	14.2
203.14386	1.9
203.17923	25.1
205.15927	3.8
207.17427	32.8
213.16388	3.1
215.17937	7.9
217.19469	3.0
219.17490	9.9
221.19084	4.8
227.17873	2.6
229.19594	6.7
231.84087	1.6
233.19115	2.3
243.21178	1.7
247.20721	3.2
273.22214	2.0
308.16092	1.6
409.34735	32.7
427.35901	18.5
445.36914	100.0
446.37283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01873	1.4
55.05520	11.9
57.07061	5.3
67.05508	13.0
69.03430	2.1
69.07067	17.2
69.23182	3.9
69.23591	14.5
79.05493	10.3
81.03418	2.2
81.07068	22.1
83.04987	3.3
83.08622	8.2
85.06541	2.3
90.21585	1.6
91.05474	12.6
93.07050	28.8
95.08613	35.6
97.06511	4.5
97.10162	6.4
98.21476	3.6
105.07047	20.6
107.08604	46.5
109.06477	2.2
109.10166	22.2
109.20775	1.6
111.08094	2.8
113.09659	2.3
117.06984	3.1
119.08588	24.2
121.10145	29.6
123.08114	2.3
123.11700	7.7
125.09624	3.3
129.06984	2.3
131.08568	5.2
133.10127	20.4
135.08076	2.8
135.11705	25.8
137.13257	3.5
139.11171	7.0
143.08577	2.3
145.10132	13.3
147.11702	11.9
149.09674	2.3
149.13284	6.8
153.12767	5.7
157.10124	5.4
159.11694	17.8
161.13281	13.8
163.11128	2.8
163.14824	28.9
171.11703	3.5
173.13326	7.6
175.14799	6.8
177.12857	1.6
177.16357	5.3
179.14296	2.3
179.79048	1.6
181.15863	19.3
185.13248	2.2
187.14836	13.9
189.16408	5.1
191.17917	4.4
199.14847	2.8
201.16409	32.2
203.17957	26.7
207.17459	2.5
209.15273	1.6
213.16370	6.0
215.17924	4.4
217.19456	2.7
219.17442	40.9
219.90962	1.4
225.16406	3.1
227.12564	1.7
227.17947	8.4
229.19484	3.8
237.18489	15.3
239.17989	1.9
241.19508	3.3
243.21144	1.6
247.20515	3.7
253.19629	2.8
267.20999	2.4
281.22617	2.7
283.24289	4.7
391.33609	12.5
409.34674	100.0
410.35062	2.2
427.36111	15.5
445.20657	1.9
445.29224	3.0
445.36951	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11265	1.0
55.05513	17.4
57.07082	10.6
65.97751	1.0
67.05508	8.2
69.07070	52.1
69.07450	2.5
69.34583	9.5
71.08643	6.8
79.05481	4.1
81.07051	16.9
82.13937	1.1
83.04960	2.9
83.08622	26.5
85.10178	2.7
91.05463	2.3
93.07035	5.4
95.08613	15.4
97.10177	11.6
98.20694	2.3
105.07024	2.8
107.08595	6.9
109.06537	1.4
109.10165	9.6
111.08070	1.4
111.11723	9.4
119.08579	4.9
121.06472	2.2
121.10134	3.1
121.85050	1.1
122.04615	0.9
123.11700	3.4
125.13240	2.8
131.08517	1.6
133.10136	2.7
135.08066	3.9
135.11708	1.9
137.09625	9.2
137.13188	1.7
139.07518	5.8
147.11702	1.5
149.09625	10.6
149.13232	2.3
151.07524	3.9
151.14825	1.5
153.09113	3.0
157.10089	1.5
159.11717	2.2
161.09560	1.9
162.06708	1.4
163.11211	6.0
165.09122	100.0
167.07018	1.4
168.44582	1.1
172.76210	1.2
173.09628	2.2
175.07458	1.7
175.11160	3.6
177.09105	9.2
177.12756	1.4
179.10686	2.8
181.08623	7.0
187.11168	1.7
189.09113	3.1
189.12685	1.9
190.09773	1.2
191.10660	9.6
199.11203	1.3
201.12695	1.4
203.10701	8.6
203.14253	1.3
205.12256	12.0
217.12187	1.7
219.13855	2.8
231.13824	3.1
245.15205	1.5
254.65222	1.2
345.27759	2.8
371.29764	1.7
399.01263	1.4
399.32352	2.5
409.34079	1.6
427.35873	15.7
445.31918	15.6
445.37329	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
57.07075	1.7
67.05507	4.5
69.07077	5.0
69.49034	1.2
69.49452	2.5
79.05489	1.4
81.07059	6.6
83.04974	0.8
83.08612	2.1
85.06524	0.6
91.05485	1.4
93.07027	1.4
95.04988	0.5
95.08620	4.9
97.10174	1.6
105.07040	1.4
107.04958	0.5
107.08593	1.6
108.14297	0.5
109.10160	6.0
111.11771	0.6
119.04890	0.5
119.08588	2.7
121.06518	0.6
121.10155	1.2
122.07300	1.7
123.08092	0.8
123.11730	0.9
131.08670	0.5
133.10133	0.6
135.08055	0.6
135.11710	0.8
136.08786	0.9
137.09628	11.3
137.13275	0.6
145.10155	0.6
149.09615	2.1
151.07495	0.7
163.11189	1.1
164.08389	0.7
165.09122	100.0
166.09456	3.0
167.07089	0.8
175.11172	0.6
177.09044	1.4
179.10632	0.5
188.08386	0.5
189.09050	1.8
189.12785	0.6
191.10651	1.3
199.11282	0.6
203.10690	2.8
204.11136	1.7
205.12312	2.5
206.12581	0.9
217.12167	1.1
218.12553	0.8
325.17627	0.5
427.35733	1.6
445.36804	11.4
446.37311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05508	8.4
57.07073	4.5
67.05502	3.9
69.07066	14.1
71.08625	2.0
71.34576	1.0
76.01940	0.4
79.05488	1.6
81.07054	6.7
83.04961	0.7
83.08620	8.4
85.10156	1.0
91.05470	1.5
93.07046	2.7
95.08603	5.4
97.10172	3.8
105.07024	1.6
107.08582	3.1
109.06500	0.5
109.10152	6.1
111.11704	2.0
119.08562	4.2
121.06519	0.6
121.10139	2.5
122.07265	1.5
123.08091	0.5
123.11712	1.6
129.06908	0.6
131.08562	1.6
133.10085	1.3
135.08052	2.3
135.11697	0.9
137.05923	0.6
137.09612	9.1
139.07579	0.8
142.07727	0.5
145.10095	1.1
147.11676	1.0
149.09618	9.7
149.13223	0.9
151.07590	1.2
159.08026	0.7
159.11685	1.3
160.08850	0.8
161.09581	1.2
162.06763	0.9
163.07544	0.6
163.09827	0.7
163.11183	9.2
165.09113	100.0
166.09410	0.9
173.09641	1.1
173.13292	0.6
174.10448	0.5
175.07576	0.6
175.11137	2.2
176.08386	0.5
176.11847	0.4
177.09082	5.8
177.12698	0.6
179.10660	1.0
181.11136	0.5
186.10379	0.7
187.11180	1.0
189.09123	2.2
189.12759	1.7
190.09937	1.0
191.10638	5.1
199.11147	3.3
201.12706	1.5
203.10686	3.7
203.14444	0.9
205.12234	5.8
217.12218	1.1
219.13837	2.2
231.13927	0.7
233.15443	0.8
289.21826	0.6
331.26245	0.6
351.18604	0.5
360.61292	0.5
409.34555	0.9
427.35818	4.4
445.36740	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	445.3315
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
50.14023	1.0
55.05511	3.5
57.03458	1.1
57.07067	1.4
67.05508	6.5
69.07066	6.7
71.60867	1.1
79.05489	4.4
81.07062	13.4
81.61283	1.2
83.08184	1.0
83.08621	2.2
85.06551	2.2
91.05470	5.2
93.07044	18.3
95.04976	1.9
95.08616	18.1
96.08945	1.1
97.06560	2.2
97.10143	1.2
105.07041	8.0
107.08597	16.6
109.06525	2.1
109.10139	8.5
111.08088	1.7
117.07005	2.1
119.08592	14.8
121.10130	13.0
123.08011	1.9
123.11717	4.4
131.08537	3.7
133.10139	12.5
135.08040	1.9
135.11697	14.5
137.09642	1.6
137.13255	1.5
143.08543	2.2
145.10127	4.6
147.11693	8.3
149.09744	1.1
149.13264	21.1
149.14366	2.0
151.03888	1.0
151.07558	1.6
151.11171	1.9
152.27145	1.3
157.10182	1.4
159.08044	1.4
159.11723	8.5
161.13274	4.0
163.11159	1.2
163.14879	5.6
165.09105	1.2
165.12825	1.3
171.11763	2.0
173.13315	4.1
175.14839	3.3
177.12755	43.9
177.16353	2.0
179.14450	1.1
183.11623	1.1
185.13277	2.9
187.14819	3.0
189.12714	1.4
189.16367	23.2
191.10652	1.4
191.18025	1.6
197.04396	1.8
197.13191	1.5
199.14900	2.4
201.16406	3.5
203.18018	1.6
207.17459	23.0
213.16467	1.7
215.17975	1.6
227.17958	1.5
231.17628	1.0
233.15567	1.1
259.20590	1.7
289.43726	1.2
297.87308	1.1
363.30759	1.4
381.31680	2.0
391.29947	3.3
399.32748	6.1
409.31094	4.9
427.32117	100.0
428.32416	2.4
445.33118	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.01859	2.5
55.05499	7.1
57.07062	3.2
67.05497	10.4
69.07065	10.0
71.61871	2.0
71.62292	1.9
79.05499	9.4
81.07053	19.0
83.04972	2.3
83.08601	5.7
91.05411	10.1
93.07039	17.1
95.04941	2.4
95.08606	25.9
97.02856	1.9
97.06524	3.0
97.10154	2.7
105.07030	13.4
107.08582	23.3
109.06503	2.4
109.10165	13.6
111.08057	3.2
117.06977	2.1
119.08576	20.9
121.06568	2.5
121.10127	19.5
123.08008	2.9
123.11708	5.1
125.05946	3.0
125.09596	2.2
127.13596	1.9
129.06984	2.1
131.08539	6.9
133.10124	16.8
135.08057	2.2
135.11678	19.1
137.13377	1.9
139.07550	3.9
143.08543	5.3
145.10115	12.1
147.07916	2.0
147.11702	9.1
149.09599	2.4
149.13185	4.2
151.07474	2.1
151.11163	1.9
157.10130	6.5
159.11678	13.2
161.09637	5.1
161.13287	9.9
163.07512	13.6
163.14784	2.7
165.09061	2.1
167.07042	2.5
169.10088	3.1
171.11667	7.8
173.09607	4.2
173.13261	5.8
175.11290	3.4
175.14787	7.4
177.09016	3.2
177.12654	2.3
177.16328	4.3
179.10675	2.5
179.14273	2.9
183.11745	2.1
185.09540	2.1
185.13246	5.7
187.11183	3.2
187.14767	7.8
189.12737	2.4
189.16374	25.5
191.10660	7.3
191.18030	9.5
193.15813	2.1
197.13316	2.4
199.11147	2.7
199.14798	4.4
201.12917	2.1
201.16412	6.9
205.12204	1.9
205.15933	1.8
207.17404	4.0
213.12732	5.5
215.14276	3.0
219.13739	3.4
227.14325	3.4
229.19510	1.8
231.13823	2.2
233.11635	3.3
245.15388	4.1
249.18579	2.9
349.25153	4.7
359.02832	2.4
367.26260	15.3
385.27206	3.3
391.25964	2.6
399.28909	2.1
409.27277	15.0
427.28378	100.0
445.29114	42.5
454.29184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2925
Annotation	Broussonetine J
Peak:m/z	Relative Intensity
53.84785	1.5
55.01874	1.6
55.05503	6.9
57.07068	4.5
58.95542	1.6
60.81430	1.6
62.11649	1.7
67.05495	6.5
69.07076	12.0
69.50787	15.0
71.08641	2.0
79.05488	2.8
81.07060	10.8
81.49428	1.9
83.08620	5.4
87.76240	1.8
91.05848	1.9
93.07050	5.9
95.08602	11.7
97.10165	2.5
105.07024	4.3
106.75354	1.9
107.08586	9.0
109.10149	6.5
111.11726	3.0
119.08585	5.1
121.10131	5.5
123.08067	2.5
123.11703	3.5
131.08543	3.4
133.06532	2.1
135.00516	2.5
135.08145	2.2
135.11716	3.6
137.09650	2.7
139.07489	2.2
145.10081	2.1
147.08084	1.7
147.11754	2.2
149.09613	3.1
151.07552	5.0
159.11795	2.2
163.11174	4.4
165.09132	19.4
167.05530	1.8
167.06975	3.1
169.08606	4.8
175.14824	2.1
178.99536	6.8
191.10844	1.8
197.00587	7.8
203.10654	2.4
204.08145	1.9
275.47876	1.8
425.01712	2.9
427.28174	75.4
427.35217	5.3
445.29218	100.0
445.36383	18.5
446.29428	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.3
55.01863	4.3
55.05523	17.2
57.03430	5.8
57.07060	8.6
57.96853	2.2
61.02905	3.4
64.33286	2.0
67.05505	24.8
68.99773	6.4
69.03061	3.6
69.03428	52.3
69.07057	11.4
71.04977	9.1
71.61337	2.9
72.08142	5.9
73.04739	2.9
79.05475	9.3
81.03420	45.1
81.07061	51.4
83.04964	5.7
83.08605	7.4
85.02420	3.3
85.02905	59.2
85.06512	3.4
86.09695	3.2
87.00834	23.5
91.05406	3.3
93.07022	15.4
95.04950	3.3
95.08044	4.4
95.08606	60.7
97.02879	15.8
97.06540	3.2
97.10151	7.0
99.04453	16.6
99.08080	4.6
105.01852	11.9
105.07008	9.6
107.08598	12.7
109.02881	40.1
109.09455	4.5
109.10159	56.7
111.04443	4.9
111.08086	4.2
119.08568	8.8
121.06441	2.6
121.10134	15.2
123.04415	2.6
123.08058	4.8
123.11709	66.8
125.09633	2.7
127.03918	100.0
129.01846	4.3
131.08542	3.4
133.10107	8.0
135.11694	7.0
137.05945	3.9
137.09633	4.7
137.13283	14.1
139.03848	3.3
139.11220	2.9
143.08617	3.5
145.04941	8.7
147.11707	4.8
149.13200	5.5
151.07556	18.7
157.10054	3.8
157.48180	2.2
159.11624	4.7
161.13235	3.6
165.09106	14.1
167.07011	6.6
170.10835	2.3
173.13033	5.0
175.14853	4.0
177.16383	9.8
179.17960	35.9
187.14917	3.1
191.10733	4.0
197.19025	7.8
203.17795	2.3
213.03944	5.5
231.04988	23.8
269.19016	4.3
287.20087	4.5
300.88593	2.7
391.21088	3.2
445.20349	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	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.5
55.01871	2.7
55.05496	11.9
57.03440	7.6
57.07063	8.8
67.05502	25.6
68.99770	5.0
69.03428	46.1
69.07056	17.0
70.54039	8.6
71.04977	10.4
72.08149	5.4
73.04746	5.4
79.05482	8.4
81.02966	4.9
81.03416	51.6
81.07056	61.9
83.04956	4.3
83.08607	13.2
85.02908	57.4
86.09721	5.5
87.00828	26.7
93.07031	18.6
95.04932	5.2
95.08609	66.4
96.45122	2.8
97.02906	17.9
97.10159	9.2
98.20583	4.5
99.04463	17.8
99.92350	3.0
105.01828	11.9
105.07013	9.2
107.08562	16.1
109.02878	41.7
109.06529	3.8
109.10158	63.2
111.04467	4.8
113.09687	3.4
119.08545	7.6
121.06539	5.1
121.10120	13.7
123.08058	7.8
123.10807	4.1
123.11698	60.6
127.03918	100.0
129.01820	6.2
131.08548	3.7
133.10173	6.7
135.08044	3.6
135.11723	4.9
137.05989	5.6
137.09584	3.6
137.13254	13.5
145.04944	6.7
145.10083	5.9
147.11685	8.1
149.13246	5.1
151.07559	21.5
153.01822	4.1
153.09093	3.5
157.10100	4.4
159.11627	5.5
161.13309	3.8
163.07436	3.6
165.09103	14.7
167.06926	3.8
173.12987	4.7
177.16351	8.2
179.17934	32.8
189.16280	3.7
197.19090	6.1
213.03928	7.7
231.04982	23.9
245.18623	4.0
269.19037	4.1
287.19800	5.1
321.05069	3.6
409.22171	3.7
445.20193	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	445.2046
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.03942	0.4
55.05508	0.8
55.13869	0.3
67.05507	1.3
69.03420	0.5
69.07085	1.4
70.04343	0.3
71.05007	0.4
71.61594	0.4
79.05497	0.6
81.03403	0.5
81.07037	1.7
83.04951	0.4
85.02905	0.7
85.06567	0.5
91.05440	0.6
93.07064	1.7
95.04963	0.5
95.08607	1.7
97.06534	0.5
98.97579	0.4
105.07047	1.0
107.08582	1.1
109.02874	0.4
109.06479	0.5
109.10134	1.3
113.05956	0.3
116.98702	0.3
119.08590	0.8
121.06519	0.6
121.10110	0.9
121.63129	0.3
123.08057	0.8
123.11710	0.6
124.24896	0.3
125.06007	0.4
125.09624	0.4
127.03893	0.4
131.08568	0.4
133.10162	0.7
135.08035	0.6
135.11690	0.7
136.47034	0.3
137.05994	1.2
137.09621	0.5
143.01968	0.3
143.08571	0.6
145.10156	0.8
147.11705	0.5
149.09663	0.5
150.69958	0.3
151.07552	2.2
153.05464	0.5
159.11685	0.4
163.11131	0.3
165.09108	0.8
167.05620	0.4
167.07089	0.7
171.11694	0.3
173.09651	0.3
173.13092	0.3
175.11255	0.3
177.09198	0.8
183.11621	0.4
185.02963	0.4
187.11148	0.3
189.12733	0.3
191.10693	0.7
205.12143	0.4
228.89192	0.3
273.18127	0.3
313.16202	1.0
333.07959	4.4
343.15945	0.4
359.03165	0.5
393.25980	0.3
427.28534	0.5
445.20471	100.0
446.20767	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	445.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
59.26257	0.3
59.64848	0.4
60.07229	0.3
61.45387	0.4
63.44204	0.3
67.05502	1.2
69.03423	0.8
69.07051	1.3
69.40894	3.2
71.04975	0.7
79.05482	1.2
81.07065	2.5
83.04964	0.8
83.08616	0.6
85.02905	1.0
85.06525	0.6
91.05415	0.7
93.07062	2.1
94.43122	0.4
95.04967	0.6
95.08638	2.0
97.06512	1.0
98.17644	0.3
98.97611	0.5
99.04506	0.5
99.08833	0.4
105.07037	1.5
107.08595	1.4
109.06511	0.7
109.10137	1.3
117.07034	0.5
119.08593	1.1
121.10135	1.0
123.08067	0.9
123.11685	0.7
125.09583	0.5
127.03894	0.6
131.08595	0.4
133.10155	1.1
135.08006	0.5
135.11667	0.4
137.06035	1.1
137.09592	0.7
137.13223	0.6
143.01912	0.4
143.08571	0.4
145.10152	0.8
147.11696	0.7
149.09586	0.4
149.13249	0.5
151.07552	2.0
157.10143	0.6
159.11705	0.8
161.05884	0.5
161.13295	0.4
163.07550	0.5
163.11153	0.5
165.09117	0.8
167.05597	0.5
167.06998	0.8
171.11789	0.4
173.02985	0.5
177.09157	0.9
179.10580	0.4
191.10648	0.7
192.95815	0.4
201.03716	0.4
205.12204	0.5
285.15851	0.4
306.53613	0.4
313.16165	0.8
333.07892	5.0
352.66394	0.4
359.02740	0.8
397.70447	0.3
409.27313	0.5
445.20471	100.0
446.20645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65123	0.7
54.32999	0.7
54.39370	0.8
55.05495	0.9
56.96564	0.9
64.54828	0.8
69.03426	1.8
69.64159	3.6
69.64577	1.4
72.60540	0.8
73.04758	6.3
85.02896	3.0
87.04440	0.7
91.05809	11.8
97.02892	1.2
98.97549	1.5
101.86543	0.8
136.73085	0.9
136.74113	0.7
137.05951	1.1
149.04483	1.8
150.02876	1.0
151.03639	2.1
163.03923	1.8
167.05553	6.7
185.04233	1.3
192.07112	0.7
219.01801	1.4
225.04251	2.7
227.01987	0.8
227.52414	0.8
229.33728	0.8
234.19411	0.8
276.13470	0.8
301.08823	0.8
313.08923	3.5
317.08398	4.1
342.99777	1.9
359.02850	10.1
383.12970	1.8
417.13647	2.3
445.13168	100.0
445.20120	5.2
446.13339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1106
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
50.44299	6.3
69.63664	41.3
139.64165	6.8
172.88371	6.7
184.62708	6.8
197.41052	6.1
380.73947	8.0
445.10837	100.0
445.18185	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	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	13.9
57.03438	5.3
58.62691	3.7
69.03416	13.1
69.60641	19.3
69.61073	7.7
70.06570	3.6
71.59245	3.7
73.04765	32.9
73.43527	3.5
85.02901	20.6
87.04465	7.8
91.05807	58.6
97.02907	10.2
98.97590	37.8
107.04947	11.6
110.97562	12.9
116.98605	18.6
124.40960	3.6
127.03933	4.4
128.98634	17.6
134.99614	4.4
136.06184	100.0
137.06639	31.1
146.99622	4.5
147.06552	4.9
149.04529	5.6
158.99648	5.7
163.03873	5.0
167.05621	26.5
170.99611	4.3
177.00665	4.8
193.66391	3.6
205.59500	3.9
219.01813	20.5
225.04315	15.3
237.02844	40.0
265.03790	3.8
271.04846	5.4
282.12057	4.1
283.04770	6.3
283.12421	8.3
295.53308	3.9
301.05923	5.5
335.63834	3.7
342.99631	6.0
344.24921	3.8
359.02850	53.9
367.07144	5.4
389.38550	3.8
397.07947	6.4
415.09171	10.6
445.11179	45.3
445.17291	4.4
445.19998	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90813	1.9
51.92548	1.9
55.01861	6.5
55.05507	3.9
57.03440	17.6
57.07077	11.9
59.05005	100.0
61.02922	10.8
67.05502	2.6
69.03431	34.1
70.06601	22.8
70.19349	9.5
71.01347	4.3
71.04991	5.2
72.08159	12.3
73.02921	74.9
80.32254	2.0
81.03412	8.2
81.07026	3.1
83.04978	4.0
84.08150	10.7
85.02906	79.6
87.04482	5.1
91.03947	3.3
91.05459	5.3
93.07008	3.1
97.02897	68.8
98.06041	5.8
98.21441	2.6
98.97554	5.3
99.04466	4.9
103.03928	3.4
107.04948	2.6
109.02883	7.1
115.03925	26.2
115.11214	39.4
119.04989	3.0
123.04430	4.7
126.05541	15.7
126.35304	2.0
127.03921	27.0
130.06470	3.2
133.04982	31.9
133.12242	57.6
134.06007	4.3
136.07545	6.8
145.04976	33.4
146.05980	5.0
162.05530	4.6
163.06013	8.0
165.05449	5.6
182.08168	3.3
190.12543	2.3
193.04939	3.4
223.05940	6.0
234.08203	2.7
241.07071	7.0
247.13333	4.1
259.08234	7.1
261.12283	3.3
277.09146	3.3
279.43192	2.7
295.10092	2.7
299.10260	2.9
441.16312	2.1
445.24307	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	444.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.2
57.03439	8.6
57.07069	3.0
57.11562	0.9
59.05005	1.2
59.30062	0.8
61.02935	1.1
63.04488	2.7
69.03432	3.3
69.82830	5.8
71.01358	1.1
71.04992	68.8
72.08175	2.1
73.02917	2.5
75.04475	5.1
75.10078	0.9
81.03430	1.0
83.04977	9.4
85.02903	100.0
86.09727	2.1
87.04442	1.6
97.02894	3.6
98.97562	2.0
99.04456	1.2
107.08619	1.3
107.79521	1.0
109.06500	1.1
111.04420	7.5
119.10690	15.9
119.88071	1.1
127.03905	4.3
129.05476	39.6
137.05980	1.1
145.04955	2.7
147.06520	21.1
164.09134	3.3
167.03384	1.5
173.71179	1.1
237.02782	1.0
250.07504	1.2
255.08743	2.1
265.16473	3.2
324.09848	1.5
333.11334	1.1
366.18500	1.0
444.18808	1.5
445.20303	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	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01863	1.0
57.03440	2.4
59.04998	2.2
61.02920	1.6
69.03067	0.5
69.03431	7.6
69.59050	2.2
70.87432	0.3
71.01343	0.5
71.04979	0.8
73.02906	0.5
73.06540	0.4
75.04477	0.8
81.03407	1.3
83.04995	0.3
85.02901	9.3
87.04473	4.3
87.28747	0.3
91.48438	0.3
92.10465	0.3
94.04044	0.4
97.02898	3.7
98.97583	0.9
99.04443	0.5
101.06015	3.3
107.04929	0.4
109.02888	0.7
110.97556	0.3
111.04428	0.9
115.03944	2.5
117.48930	0.3
119.03542	1.0
120.08146	0.4
127.03899	1.0
129.05472	1.0
135.29320	0.3
136.06187	100.0
137.04559	0.5
145.04965	0.7
147.06526	4.3
180.42661	0.3
209.59254	0.3
266.79095	0.3
282.11981	9.8
298.11560	1.1
349.80945	0.3
428.06985	0.3
444.17383	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	443.3888
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05504	15.0
57.07065	10.5
60.36818	5.3
64.90128	4.0
67.05502	29.5
69.07059	39.5
69.77511	4.2
69.89338	21.8
71.04973	4.4
79.05486	13.3
81.07056	55.5
83.08608	10.5
86.68800	4.2
91.05466	18.3
93.07045	42.1
95.08602	100.0
97.10155	5.8
98.21416	4.7
105.07018	27.1
107.08596	64.1
109.10155	61.6
111.08080	7.3
111.11711	10.9
119.08582	50.6
121.10159	53.0
122.87196	4.9
123.11702	32.5
131.08536	5.4
133.10149	37.8
135.11696	47.5
137.09659	7.4
137.13237	14.9
145.10149	11.2
146.94244	5.3
147.11699	35.6
149.13275	26.1
151.07422	4.9
159.11668	12.5
161.13213	25.7
163.14783	17.5
165.09094	14.8
166.79335	5.0
173.13234	8.3
175.14836	15.3
177.16370	14.0
187.14700	7.0
189.16423	42.4
191.17915	18.9
201.16377	5.0
203.17952	30.4
205.19516	12.6
207.17473	45.5
215.17834	7.2
217.19481	27.9
221.19035	25.0
231.21046	17.0
243.21027	6.9
245.22614	20.8
247.20531	7.1
271.24182	10.0
407.36700	40.3
425.38013	46.3
443.33380	39.6
443.39606	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	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.8
57.07083	4.5
67.05508	30.8
69.07067	30.8
70.96082	8.6
73.98991	2.7
79.05491	24.2
79.77702	2.7
81.06580	3.5
81.07059	68.5
83.08620	11.8
85.06540	7.1
91.05461	18.7
93.07048	54.7
95.04972	4.3
95.08605	100.0
97.06535	6.3
97.10175	9.4
105.07025	43.0
107.08593	87.7
109.06496	6.1
109.10157	68.2
111.08084	9.7
111.11707	4.5
117.07043	4.5
119.08578	63.4
121.06528	5.5
121.10140	66.1
123.08055	8.7
123.11694	34.1
125.09598	5.0
131.08611	17.3
131.23508	2.7
133.10129	41.2
135.08080	3.7
135.11700	54.1
137.09595	4.3
137.13261	19.4
143.08557	9.7
145.10127	21.3
147.11671	32.0
149.09647	6.7
149.13264	30.8
151.11227	4.9
157.10129	11.6
159.11670	24.1
161.09608	4.6
161.13255	28.9
161.24876	3.0
163.11140	4.7
163.14835	31.9
163.50339	2.7
165.09102	3.7
165.12761	4.8
169.10176	7.9
171.11745	8.7
173.13263	19.6
175.11224	8.9
175.14842	25.0
177.16391	24.7
179.14334	9.5
185.13220	7.3
187.14740	14.9
189.12796	6.2
189.16389	28.3
191.10674	5.4
191.14265	6.3
191.17941	36.6
193.16008	4.8
197.09563	3.2
199.14868	8.7
201.12756	6.2
201.16405	10.8
203.14323	8.1
203.17928	23.3
205.15939	7.6
205.19534	8.0
207.17459	14.4
209.13351	3.7
215.17955	8.1
217.15953	6.6
217.19545	21.9
221.19009	9.1
227.17851	3.3
229.19490	5.0
231.17426	3.8
231.21152	4.8
233.15370	4.2
235.17001	7.9
235.20589	9.4
239.17879	4.5
245.18872	4.5
394.75723	3.2
397.30984	8.2
407.33096	11.6
407.37622	3.4
413.29922	3.8
413.37723	8.7
425.30389	10.8
425.37943	15.1
443.35956	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.05524	15.2
57.07079	6.7
63.58178	1.9
63.92675	1.9
67.05508	21.6
69.07072	19.9
69.81133	2.5
69.81553	7.9
73.52788	1.8
78.08503	1.8
79.05482	11.9
81.07062	47.5
81.07514	3.8
83.04975	2.9
83.08620	11.1
85.06549	5.0
91.05489	10.5
93.07040	23.3
95.04951	2.0
95.08613	64.4
97.06516	3.1
97.10163	5.9
99.08109	5.2
105.07029	21.2
107.08083	1.6
107.08602	43.4
109.06532	2.2
109.10168	48.7
111.08087	3.2
111.11754	4.3
117.07059	2.3
119.08589	25.0
121.10149	29.0
123.08049	4.7
123.11745	18.2
125.09661	4.3
127.11264	2.2
131.08577	5.7
133.10133	23.2
135.08022	2.9
135.11702	26.6
137.09647	13.6
137.13278	7.6
145.10141	11.0
147.11702	15.3
149.09630	11.8
149.13252	18.2
151.14873	2.2
157.10127	2.3
159.11687	8.6
161.13281	16.6
163.11223	5.8
163.14850	11.8
165.09131	100.0
171.11711	1.9
173.13260	6.1
174.10417	2.7
175.11238	3.2
175.14848	10.4
176.08284	1.8
177.09180	4.9
177.12729	4.0
177.16417	6.7
179.14325	6.2
185.13261	3.3
187.11249	3.0
187.14815	5.9
189.09187	2.7
189.12700	3.9
189.16379	9.6
191.10703	6.9
191.17947	22.5
199.14915	2.3
201.12781	2.1
201.16437	7.3
202.09917	2.0
203.10686	5.3
203.14355	2.0
203.17909	9.9
205.12260	13.6
205.19514	4.4
207.17438	5.0
213.16577	2.4
215.17986	2.3
217.19582	10.1
219.13750	3.3
219.17346	2.5
231.13937	4.9
231.17491	3.7
233.15504	2.3
235.20555	2.8
245.15402	2.3
259.24316	2.0
271.20737	2.7
325.25916	2.0
379.29965	3.2
407.37143	2.6
425.29337	2.8
425.33487	2.9
425.38870	13.6
443.35498	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	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	2.8
55.05510	18.5
57.03421	3.2
57.07063	3.2
67.05508	39.6
69.07067	32.4
71.04976	3.3
71.08629	3.8
79.05486	20.3
81.07055	70.8
83.08601	11.9
85.02898	4.1
85.06541	6.3
91.05483	19.9
93.07050	46.8
95.08608	99.8
97.06510	7.3
97.10147	10.2
99.08141	3.5
105.07024	33.3
107.08601	75.4
108.08967	3.3
109.10159	92.4
110.10491	3.3
111.08102	5.9
113.09646	3.0
117.02561	2.9
117.07027	3.5
119.08579	50.0
121.09312	5.2
121.10146	62.3
123.08071	4.6
123.11693	26.3
125.09630	6.8
131.08559	13.7
133.10144	39.3
135.08038	4.7
135.11702	49.3
137.09612	14.0
137.13234	14.7
145.10149	22.1
147.08040	3.1
147.11688	29.5
149.09584	5.7
149.13257	26.3
151.11212	4.9
157.10132	7.6
159.11681	25.3
161.09586	3.2
161.13278	28.8
163.14771	26.1
165.07755	6.2
165.09120	100.0
165.12790	4.2
171.11610	7.6
173.09703	3.8
173.13258	14.1
175.11157	3.5
175.14798	17.9
177.16402	8.5
179.14270	14.7
187.14819	10.5
189.12691	4.0
189.16394	24.2
191.17967	36.4
197.13275	4.2
199.14766	7.0
201.16357	9.0
203.14253	9.4
203.17960	25.9
205.12340	3.8
205.15929	4.2
205.19601	7.3
207.17441	16.9
213.16489	3.7
215.17964	9.0
217.15871	4.5
217.19531	21.3
219.17426	3.7
221.18935	4.2
225.16321	3.4
227.17891	3.7
231.20982	4.0
233.18982	6.3
235.20578	4.7
271.20413	4.4
272.65634	3.2
358.91049	3.0
407.32886	14.4
425.33005	7.8
425.37756	20.5
443.35141	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3883
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05507	11.0
57.07063	5.3
67.05499	21.3
69.07066	15.7
69.64912	17.5
79.05495	10.9
81.07054	40.4
83.08606	9.8
91.05468	7.3
93.07043	33.8
95.08607	100.0
97.10176	4.3
105.07042	23.5
107.08598	50.8
109.10162	56.1
119.08585	32.4
121.10149	55.3
123.11723	20.8
125.09602	4.3
131.08495	5.1
133.10123	22.0
135.11700	40.1
137.13274	9.7
139.11215	4.2
145.10117	7.0
145.97031	3.2
147.11697	16.1
149.13246	15.0
154.32065	3.5
159.11649	8.1
161.13306	19.6
163.14825	28.3
165.09241	3.4
173.13371	3.9
175.14784	7.5
177.16365	14.5
179.14240	3.9
187.14746	4.9
189.16360	15.1
191.17943	76.7
203.18011	18.4
205.19444	7.0
207.17470	7.9
215.17955	5.8
217.19479	25.7
219.17467	3.4
221.19130	6.8
231.21104	4.6
233.18958	5.4
235.20567	37.5
255.90219	3.4
284.89337	3.6
336.87704	3.9
413.37726	7.2
425.38174	19.8
443.33499	11.5
443.39374	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.5
57.07062	7.2
58.83487	2.8
67.05510	23.9
69.07066	25.4
71.00230	7.9
71.08601	3.5
79.05489	17.7
81.06637	4.1
81.07063	57.2
83.08621	14.8
91.05473	17.1
93.07043	34.5
95.08608	100.0
96.06837	3.1
96.08932	2.8
97.10162	10.7
105.07018	24.8
106.28433	2.9
107.08591	58.8
109.10167	68.2
111.08076	4.7
111.11710	3.8
119.08585	36.7
121.06441	3.7
121.10139	56.2
123.11700	21.7
125.09639	3.5
131.08559	6.7
133.10138	26.7
135.11716	35.7
137.13220	12.5
139.07513	13.4
139.11192	4.0
143.08527	4.0
145.10086	11.7
147.11688	25.4
149.13243	30.2
151.14818	5.3
157.10129	4.6
159.11685	13.7
161.13240	22.4
163.14827	34.0
165.09157	17.1
171.11768	3.2
173.13234	5.3
175.14812	16.1
177.16408	23.6
179.14267	7.0
187.14850	7.9
189.16412	20.5
191.10616	3.0
191.17955	59.9
199.14702	3.4
201.16382	11.0
203.10529	4.5
203.17975	26.0
205.19514	6.0
207.17416	5.3
215.17978	9.2
217.15968	6.1
217.19540	31.3
221.18973	10.1
231.21022	4.2
233.18974	4.7
235.20567	19.0
241.19334	3.5
395.36624	7.3
413.37683	7.6
425.32974	5.7
425.38681	19.4
443.34586	82.2
451.74097	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01892	1.1
55.05507	9.4
57.07075	4.3
67.05509	10.6
69.07066	14.2
70.02408	3.5
71.08604	1.1
79.05515	6.1
81.07060	20.6
82.29977	1.1
83.08636	7.6
85.06539	2.3
91.05485	6.4
93.07038	11.4
95.04935	1.0
95.08609	32.3
97.06558	1.6
97.10172	4.4
99.04485	1.1
99.08077	1.9
105.07024	12.4
107.08598	23.7
109.06548	1.7
109.10158	23.1
111.08100	3.0
111.11751	2.2
117.07024	2.1
119.08585	20.8
121.10146	20.2
123.08107	4.4
123.11713	8.8
125.06029	1.7
131.08583	3.1
133.10136	14.7
134.10460	1.4
135.08060	3.7
135.11702	11.3
137.06052	1.3
137.09595	5.6
137.13274	4.1
139.07561	2.5
139.11183	1.9
145.10159	3.9
147.08096	1.5
147.11714	9.9
149.09633	3.3
149.13280	7.6
151.07523	2.8
151.14818	1.1
156.09253	1.2
157.10188	2.6
159.11732	5.9
161.09662	1.4
161.13251	7.6
163.07428	1.1
163.11206	2.1
163.14833	6.3
165.09128	20.9
171.11714	1.6
173.09760	1.9
173.13293	3.3
175.11148	1.5
175.14796	9.0
177.09084	3.8
177.16426	4.2
179.14299	1.7
183.10219	1.3
185.13361	1.3
187.14803	5.2
189.12828	1.4
189.16440	3.7
191.10776	3.3
191.17987	7.9
193.15883	7.1
195.76627	1.1
197.09723	1.2
199.11342	1.5
201.16496	2.3
203.10710	5.9
203.14351	1.9
203.18001	12.9
205.12292	2.5
205.15970	4.1
207.17490	1.8
215.14323	1.2
215.18021	1.5
217.15948	1.8
217.19547	2.8
219.17476	1.7
221.15536	2.5
221.19009	2.9
223.17027	2.8
231.13846	2.5
235.20634	1.5
382.70822	1.2
407.33167	2.2
425.33466	7.5
443.35211	100.0
444.35632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03938	0.6
55.05509	5.1
57.03412	0.6
57.07079	0.9
67.05505	10.0
69.07071	8.0
69.51337	1.7
69.51758	3.6
71.08643	0.9
79.05487	3.9
81.07058	15.1
83.04988	0.8
83.08624	2.8
85.06541	2.9
91.05475	3.8
93.07044	6.7
94.83976	0.6
95.04969	1.6
95.08604	22.8
97.06549	1.9
97.10152	2.0
99.06907	0.6
99.08088	0.7
105.07026	6.7
107.08590	12.5
109.06544	1.0
109.10158	19.2
111.08087	0.9
111.11718	1.3
117.07018	1.1
119.08582	10.3
121.06485	0.8
121.10143	10.1
122.07259	0.9
123.08031	1.0
123.11707	5.2
125.09651	1.0
129.51430	0.6
131.08528	1.5
133.10132	6.5
135.08044	2.5
135.11679	6.9
136.82492	0.6
137.09616	9.7
137.13261	2.7
139.07581	0.7
139.11214	0.7
145.10098	3.6
147.11682	7.0
149.09586	3.7
149.13254	4.4
149.19348	0.7
149.68091	0.7
151.11166	0.7
157.10086	1.3
159.11716	3.0
161.09616	1.6
161.13268	5.1
163.11185	1.5
163.14832	3.5
165.09111	100.0
166.01402	0.6
166.09489	0.8
171.11684	1.4
173.13257	2.0
175.11174	1.8
175.14774	3.0
177.09155	0.8
177.16383	1.2
178.40787	0.6
179.14427	1.4
185.13284	1.3
187.11156	0.8
187.14818	1.9
189.12695	0.7
189.16426	4.5
191.10657	0.8
191.18007	4.6
199.14766	0.8
201.12830	1.5
201.16345	1.3
203.10660	1.3
203.14326	2.5
203.17984	3.3
205.12283	2.0
205.19388	0.8
206.07159	0.7
207.17427	2.0
213.12750	0.6
217.19533	3.1
221.19078	0.9
229.19667	0.8
233.18982	1.2
243.20969	0.9
253.19595	0.8
271.20541	1.0
279.23166	2.1
279.26746	1.6
337.25293	0.8
398.17889	0.7
407.32980	3.3
425.33716	12.3
425.39145	1.2
426.34714	0.8
443.34952	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.52596	3.8
55.05512	20.2
57.03410	7.4
57.07066	5.8
67.05505	36.2
69.03423	6.9
69.07066	31.3
69.26171	3.8
70.08211	9.5
70.08592	12.6
71.04960	7.3
79.05495	27.9
79.05891	4.1
81.07056	76.5
83.04973	8.3
83.08608	11.4
85.02922	5.0
85.06537	6.9
91.05479	31.1
93.07053	58.9
95.04969	8.6
95.08611	93.2
97.06518	6.8
97.10137	6.5
98.97607	6.4
99.08119	6.5
105.07027	62.5
107.04967	6.8
107.08595	76.9
109.06532	6.6
109.10151	54.2
111.08100	13.8
116.98637	5.3
117.07018	7.8
119.08590	77.2
121.06523	7.7
121.10143	45.9
123.08089	11.5
123.11710	24.4
128.06288	4.5
129.07002	7.7
131.08565	25.9
133.10124	52.5
135.08069	12.4
135.11693	44.9
137.05945	8.7
137.09604	14.5
137.13246	10.1
143.08575	12.0
145.06320	4.8
145.10143	41.2
147.08032	29.8
147.11696	31.2
149.02347	7.3
149.09650	6.7
149.13286	21.6
151.07562	27.7
151.11192	9.3
156.09308	4.7
157.10094	23.8
159.08032	8.5
159.11711	48.8
161.09567	12.9
161.13255	40.5
163.11185	8.8
163.14836	15.5
165.09129	85.7
167.07053	10.8
171.11682	13.1
173.09485	4.8
173.13286	28.0
175.11186	12.4
175.14828	22.4
177.09102	7.9
177.12712	17.4
177.16393	9.0
183.11729	7.5
185.13229	11.3
187.14825	17.4
189.12767	9.2
189.16412	39.6
191.10698	11.4
191.17955	57.2
197.13326	5.8
199.14822	10.1
201.16379	24.3
203.14209	21.5
203.17982	8.1
205.12268	11.5
207.17448	23.7
211.14828	4.9
213.16365	5.7
215.17911	7.7
217.15938	9.6
217.19537	5.0
219.17427	13.1
221.15399	14.6
225.16351	5.3
227.18285	4.7
229.08749	8.2
235.16902	14.0
248.08269	7.7
275.06894	6.1
276.07843	4.8
293.08005	9.9
312.87750	4.2
319.09644	5.2
323.12662	9.2
351.12332	12.7
368.12671	7.3
383.14960	53.4
407.33267	22.0
425.26651	5.9
425.34079	29.2
443.21967	5.6
443.27051	9.1
443.35422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
54.48018	0.5
55.05502	1.7
58.81367	0.6
61.26839	0.5
67.05497	3.8
69.07088	2.8
69.51740	3.4
69.52146	1.1
71.04984	2.8
76.89140	0.5
79.05493	3.1
81.06578	0.7
81.07054	8.1
83.08620	1.7
85.06544	1.7
91.05466	3.6
93.07049	7.7
95.08604	12.7
97.06487	1.2
98.21435	1.2
105.07024	6.4
107.08599	11.0
109.06516	1.2
109.10168	9.4
111.08055	1.3
117.06993	0.8
119.08583	9.5
121.10149	7.6
123.08063	1.3
123.11697	4.9
127.11176	1.3
129.07053	0.7
129.14154	0.5
131.08586	3.2
133.10133	11.0
135.11693	10.6
137.13269	1.7
139.11122	0.5
143.08542	0.9
145.10130	5.3
147.08038	1.4
147.11687	7.7
149.13263	4.5
151.11200	1.7
153.12796	0.8
157.10147	2.3
159.11714	5.6
161.09666	0.6
161.13268	6.8
163.14838	2.3
165.09163	0.6
165.12766	0.8
171.11693	1.3
173.13332	2.7
175.14864	3.4
177.12750	4.2
177.16447	1.6
183.11691	0.7
185.13222	3.3
187.14847	4.5
189.12662	1.2
189.16370	6.9
190.16710	0.7
191.17952	1.2
197.13264	1.8
199.14847	2.3
201.16428	2.9
203.14330	7.9
203.17955	5.0
205.15881	1.8
207.17476	3.7
213.16452	1.2
215.14290	0.8
215.17937	1.5
217.15950	1.0
217.19670	0.8
221.18988	0.7
225.16411	0.6
227.17957	1.3
229.19420	0.7
253.19490	1.3
255.21162	1.2
267.21219	1.0
269.22968	0.7
271.20596	1.9
273.22232	1.1
285.22141	0.7
299.23804	0.8
337.25299	0.6
351.26691	0.7
389.32089	1.2
407.32941	5.7
425.34286	3.9
443.35229	100.0
444.35632	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	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85619	0.4
53.78574	0.5
55.05502	2.0
57.07053	1.0
62.18988	0.5
65.73322	0.4
67.05211	0.5
67.05513	5.7
69.07074	3.8
69.60683	3.2
79.05488	1.6
81.07059	8.4
83.04984	0.9
83.08630	2.2
85.06533	1.5
91.05470	1.6
91.88751	0.5
93.07046	2.4
95.08614	6.6
97.10195	1.0
98.21447	1.0
99.08079	0.5
102.68266	0.4
105.07043	1.9
107.08597	3.4
109.06532	0.7
109.10166	6.3
119.08578	4.3
121.10149	2.3
122.07308	1.1
123.11713	2.0
128.11418	0.6
131.08557	0.6
133.10141	1.1
135.08127	0.6
135.11708	2.1
137.08638	0.7
137.09624	9.0
137.13232	1.2
143.08571	0.5
145.10130	1.0
147.11668	1.3
149.09587	2.3
149.13295	0.7
151.07437	0.5
157.10153	0.5
159.11714	1.0
161.13316	0.8
163.11198	1.1
163.14841	0.6
165.09122	100.0
166.09427	0.7
173.13255	1.0
175.11179	1.0
175.14909	0.9
177.09122	1.1
178.02390	0.5
179.10704	0.6
181.01979	0.4
182.11061	0.5
189.08955	0.6
191.10696	1.9
191.18008	0.7
203.10672	1.8
203.14343	0.7
203.17938	0.9
205.12236	2.9
205.15804	0.6
217.15926	0.6
219.13853	0.8
235.16934	0.5
258.73907	0.4
279.26764	2.3
354.67255	0.5
407.33090	1.3
425.34155	2.4
443.35275	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.18979	2.9
52.21720	3.4
53.03939	4.3
55.05512	12.9
57.03429	4.4
59.08438	3.4
67.05505	16.1
69.07074	20.1
69.56074	5.3
69.56470	23.1
74.48658	3.0
79.05468	16.9
81.07060	33.3
83.08592	7.8
85.06540	4.7
91.05473	19.7
93.07048	41.6
94.13695	2.9
95.04977	5.5
95.08606	47.1
97.10196	4.7
99.08085	3.2
105.07028	50.8
107.08601	49.8
109.06528	3.6
109.10149	26.6
111.08098	7.5
117.07034	5.2
119.08589	69.7
120.08979	3.7
121.10141	37.9
123.08089	9.2
123.11730	12.0
126.17797	3.2
131.08585	15.1
133.10114	33.8
135.08047	4.6
135.11696	33.2
137.09624	9.3
142.07814	6.0
143.08620	6.5
145.10107	28.3
147.08064	28.3
147.11696	26.3
149.13277	11.7
151.07523	6.9
151.11198	4.1
157.10143	21.4
159.11696	45.8
161.09641	12.0
161.13248	27.4
163.11215	4.4
163.14838	9.3
165.09151	18.8
168.82625	3.0
171.11644	9.3
173.13283	15.9
175.11172	8.2
175.14835	13.2
177.12738	8.3
185.13312	7.0
187.14845	9.9
189.12737	5.8
189.16376	36.4
191.17944	42.4
193.15929	5.3
199.14816	8.0
201.16383	25.7
203.14357	11.0
203.18004	10.4
205.15765	5.2
207.13834	3.2
207.17418	24.5
213.16399	3.7
215.17947	4.2
217.15883	7.7
219.17363	15.8
221.15375	20.5
227.17952	3.9
235.16920	17.8
383.15036	6.3
407.32840	22.0
425.34225	27.9
443.28824	6.6
443.35309	100.0
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
53.03949	4.9
55.01873	7.4
55.05512	21.6
57.03430	8.5
57.07081	3.9
61.02930	14.9
65.03944	3.4
67.05504	41.9
69.03439	25.9
69.06751	3.8
69.07077	32.9
71.04986	8.3
73.02893	7.9
79.05491	49.2
81.03410	9.2
81.07053	62.5
83.04974	11.0
83.08611	11.1
85.02905	31.7
85.06561	7.8
86.09679	4.4
87.04448	8.9
91.03961	8.1
91.05482	45.1
93.07040	75.1
95.04974	14.8
95.08035	5.4
95.08607	66.9
96.08909	4.3
97.02889	22.2
97.06531	10.8
97.10159	6.5
99.04446	5.1
99.08088	10.2
101.02347	3.0
104.00871	3.1
105.06374	4.9
105.07035	69.2
106.07327	3.4
107.04948	6.5
107.08592	56.4
109.02853	5.5
109.06494	9.8
109.10146	34.7
111.04422	5.2
111.08084	7.3
111.11629	4.3
115.03916	9.7
115.05416	3.0
117.07011	12.5
118.53943	2.9
119.08584	82.5
120.08871	5.1
121.06506	8.4
121.10133	45.5
123.08092	15.6
123.11679	18.5
125.09605	4.4
127.03896	7.8
128.06253	6.4
128.50880	3.6
129.06996	13.6
131.08543	24.9
133.04973	4.0
133.06477	6.2
133.10133	48.4
134.10440	3.6
135.08063	13.2
135.11690	43.6
137.05974	4.3
137.09621	12.9
137.13303	7.0
141.06958	5.2
143.08557	13.2
144.09380	3.7
145.04964	7.0
145.10146	36.9
147.08051	25.2
147.11699	49.0
149.05977	7.3
149.09628	13.5
149.13272	16.5
151.07524	28.5
151.11177	4.6
156.09351	4.9
157.10130	20.8
159.07994	5.9
159.11710	42.4
161.09599	11.5
161.13235	29.7
163.11195	4.3
163.14833	9.7
165.09091	30.8
167.06996	11.5
167.10660	3.1
171.11708	24.4
173.09650	3.6
173.13304	19.3
175.11201	11.0
175.14873	17.5
177.09155	4.5
177.12738	9.1
177.16400	6.8
179.14311	5.9
183.11646	4.8
185.13217	10.2
186.06705	3.4
187.14841	9.7
189.12724	14.7
189.16374	46.4
190.16708	7.4
191.03426	4.2
191.08730	4.5
191.10660	10.2
191.18004	33.8
199.11266	5.0
199.14803	10.7
201.12685	5.5
201.16370	13.4
203.10583	4.9
203.12654	3.2
203.14247	15.9
203.17984	6.9
205.06487	3.5
205.12234	9.3
207.13857	17.7
207.17436	41.9
208.17787	15.5
209.13312	4.9
209.17953	5.9
213.16350	3.8
215.17867	3.3
217.12274	4.3
217.15883	9.5
219.08026	4.5
219.10078	3.9
219.13902	4.5
219.17410	11.9
221.15390	12.0
227.17911	3.5
229.08627	6.9
229.19414	5.3
231.08110	4.7
231.17346	4.7
235.16934	16.7
247.07536	5.7
248.08206	7.0
259.07660	4.4
263.10739	6.9
281.17480	26.7
290.09308	5.3
291.10117	6.1
293.08026	6.4
307.09485	4.7
308.10425	4.2
319.09714	3.4
323.12888	3.9
336.09686	4.6
337.10596	4.4
351.12186	10.0
353.10257	7.7
368.12457	3.6
383.14954	60.6
384.15628	3.5
388.80231	3.0
407.33383	20.7
425.34811	35.4
443.17484	3.3
443.35379	100.0
460.31232	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.78922	0.7
54.68980	0.7
55.05515	4.1
57.03419	0.8
57.07063	2.3
62.52902	0.8
67.05505	7.7
69.06757	1.0
69.07068	10.7
69.59730	0.7
69.60042	5.9
79.05492	4.4
79.05902	0.9
81.07050	17.9
83.04964	2.3
83.08601	3.9
85.06537	2.3
91.05460	4.9
93.07044	10.7
95.04965	1.7
95.08601	22.1
97.06528	2.3
97.10184	2.4
99.87614	0.9
105.07024	9.6
107.08589	14.0
109.06511	1.5
109.10149	13.3
111.08112	1.7
111.11711	1.6
113.99695	0.9
117.06998	1.5
119.08579	12.6
121.06499	2.4
121.10143	10.9
123.08084	1.9
123.11688	6.8
125.09657	1.9
131.08572	3.4
133.06482	1.2
133.10133	7.5
135.08067	2.7
135.11685	6.9
137.09592	4.9
137.13211	2.3
139.07570	0.8
139.21262	0.8
143.08568	3.3
144.09358	1.1
145.10124	4.9
147.08055	2.7
147.10579	0.8
147.11676	6.0
149.09599	4.7
149.13268	5.1
155.08521	1.0
157.10149	2.7
159.11700	3.8
161.09602	5.5
161.13280	3.4
163.11183	1.5
163.14822	3.3
165.09109	43.8
169.10170	1.0
171.11667	2.6
173.09615	2.1
173.13219	4.1
175.11201	3.4
175.14828	7.6
177.09155	2.1
177.16350	5.9
179.10678	1.6
183.11734	1.4
185.13300	2.2
187.14842	3.3
189.09125	1.1
189.12749	3.4
189.16403	6.4
191.10645	2.5
191.18034	1.0
197.13362	1.1
199.14821	2.4
201.12747	1.7
201.16350	1.3
203.10567	1.4
203.14386	1.8
203.18001	1.4
205.12267	4.3
205.15932	1.3
207.17235	1.0
211.14957	1.6
213.16483	1.4
215.14214	1.1
217.12257	1.1
217.15887	7.1
219.13771	1.5
219.17651	1.2
225.16623	0.9
226.22664	0.8
227.17999	2.5
231.13849	2.0
231.17450	12.2
233.15436	1.0
235.17000	1.8
243.21118	1.5
245.19102	1.2
253.19496	1.2
259.20660	1.2
271.20505	4.6
285.22128	1.5
329.24536	1.4
383.29462	1.0
407.33447	4.1
425.34335	14.3
443.35229	100.0
444.35748	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03940	3.5
54.07226	1.0
55.01867	1.2
55.05510	10.7
56.96561	3.7
57.03425	1.5
57.07059	4.8
59.04984	1.4
64.01547	1.0
65.03957	1.5
67.05506	15.5
69.03410	1.7
69.06712	1.8
69.07060	16.9
69.47252	8.8
71.04982	1.6
79.05495	17.2
81.07057	36.6
83.04990	1.6
83.08623	8.5
85.06544	5.4
90.37672	1.0
91.05479	18.9
93.07050	37.1
95.04956	3.6
95.08608	49.0
96.08884	1.2
97.06528	4.1
97.10150	3.4
98.21490	1.5
98.97562	4.5
99.08118	8.0
103.05470	1.5
105.07033	52.6
105.80986	1.1
106.07359	1.8
107.08598	50.8
109.06525	7.4
109.09441	2.2
109.10160	28.1
110.97585	2.6
111.08067	5.0
111.11725	1.8
112.99123	3.4
113.09606	2.3
116.98604	1.9
117.07006	5.4
119.08582	58.5
121.06497	3.9
121.09299	2.3
121.10146	38.0
122.10468	1.6
123.08076	6.4
123.11707	13.6
125.06026	1.8
125.09594	1.6
127.07503	1.4
128.98589	2.5
129.06995	3.1
130.07759	1.7
131.00204	5.9
131.08588	13.7
133.06502	11.8
133.10132	40.8
134.10341	1.5
135.08022	4.3
135.11708	48.8
137.09596	5.0
137.13232	5.3
139.07529	1.1
139.11247	2.5
141.06989	1.3
142.07767	2.2
143.00179	2.3
143.08553	8.9
145.10139	17.4
146.99634	1.4
147.08037	7.9
147.11690	30.1
149.01198	2.3
149.09586	3.2
149.13261	14.6
151.07498	6.1
151.11165	6.2
155.08549	2.9
156.09299	2.6
157.10110	9.5
159.08086	2.0
159.11697	14.5
161.01184	1.7
161.09601	5.2
161.13281	13.5
163.11162	3.3
163.14828	12.8
165.09137	4.5
165.12779	1.7
167.07030	1.2
169.10158	2.7
170.10916	1.9
171.11742	7.6
173.01268	1.2
173.09686	2.7
173.13292	10.1
175.11198	3.5
175.14839	21.2
177.00751	1.4
177.12732	2.0
177.16356	4.7
179.14325	2.2
183.11716	2.9
184.99789	1.3
185.01228	6.3
185.13257	8.6
187.11189	1.5
187.14848	12.3
189.12769	3.3
189.16391	65.3
191.14279	2.4
191.17978	6.3
193.15866	8.6
197.13275	3.1
199.14838	8.3
201.12714	2.8
201.16405	7.9
203.02277	7.1
203.10583	1.3
203.12405	1.7
203.14339	30.2
203.17961	5.2
205.12086	1.4
205.15837	3.9
205.19504	4.8
207.17447	100.0
211.14862	2.9
213.16368	6.3
215.17943	5.2
217.15909	3.7
217.19418	1.5
219.17415	1.8
221.03305	1.4
221.15390	13.8
227.02255	1.5
227.17949	2.0
229.15800	1.7
229.19514	2.1
231.17427	1.9
235.16933	1.3
245.03372	2.5
247.16785	1.9
253.19464	1.4
255.21031	1.8
263.04361	1.6
267.21338	1.7
271.20767	1.7
279.23193	2.6
305.05426	10.8
323.06589	1.6
335.27594	1.9
341.24677	1.2
343.55048	1.4
381.10077	1.3
389.32047	2.5
397.31100	2.1
407.28519	1.8
407.33557	9.0
425.28952	1.1
425.34671	30.5
426.34229	1.9
443.35785	58.9
444.35709	2.1
456.72629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3499
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05504	3.2
57.07075	2.3
59.07529	0.9
67.05501	6.0
69.07069	5.8
79.05501	3.1
81.07056	9.1
81.09546	0.9
83.08628	3.5
85.06583	1.7
87.04469	1.3
89.05344	0.9
91.05463	6.7
93.07040	5.2
94.07364	1.1
95.08602	17.1
96.08936	1.3
96.38396	0.9
97.10184	2.1
99.08170	1.0
105.07040	6.4
105.91692	1.0
107.08575	10.4
107.09166	0.9
109.06526	1.0
109.10156	10.5
109.41367	0.9
117.07005	0.9
119.08575	7.6
121.06509	1.1
121.10141	8.6
123.11726	3.6
125.09549	0.9
130.56911	0.9
131.08594	1.9
133.10123	4.7
135.08083	1.0
135.11662	6.9
137.09636	1.0
137.13318	2.3
145.10149	2.9
147.11655	4.7
149.09668	1.0
149.13287	3.6
151.07562	2.5
157.10133	1.1
159.11781	1.8
161.13298	3.1
163.14835	3.3
165.09140	3.5
167.07066	1.6
173.13284	2.6
175.14865	2.3
177.09189	1.4
177.16418	1.9
187.14839	2.0
189.16371	2.5
191.17964	5.1
201.16444	1.2
203.10742	2.5
203.18048	2.6
205.19547	1.2
212.58595	0.9
215.17978	1.9
217.19537	2.0
220.17984	1.4
231.13661	1.0
235.20610	2.7
243.13948	1.0
249.18675	1.1
305.28354	1.4
341.21603	1.0
398.30548	1.3
407.33023	1.3
425.34186	3.8
425.38629	2.1
443.34967	100.0
444.35205	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01877	5.0
55.05512	15.1
57.03424	7.7
59.05000	4.3
61.02924	9.5
62.51651	2.9
67.05502	7.7
69.03426	32.0
69.07063	3.8
69.99619	13.2
70.06590	4.7
71.04984	8.3
73.02914	9.2
73.03289	2.8
75.12045	2.3
79.05486	12.2
81.03407	15.2
81.07061	19.7
83.04968	29.2
85.02409	5.4
85.02905	75.4
85.06578	3.3
87.04465	8.6
91.03947	4.6
91.05486	11.7
93.07052	16.9
95.04984	18.9
95.08602	13.3
97.02898	27.5
97.06535	7.8
98.21436	3.2
98.97575	9.5
99.04427	5.4
101.06026	12.2
105.07021	21.2
107.04953	4.6
107.08598	18.1
109.02876	10.9
109.06529	10.8
109.10145	16.9
111.04435	4.1
116.98589	5.8
117.07040	3.0
119.04933	2.9
119.08560	17.4
121.02895	6.0
121.06502	15.2
121.10145	9.7
123.08059	5.4
125.05978	9.4
125.09563	3.3
127.03946	16.2
128.06245	3.9
131.08563	8.5
133.06523	4.0
133.10124	14.7
135.08054	10.4
135.11671	7.8
137.06020	6.0
137.09642	33.0
143.08553	5.6
145.04964	11.9
145.06456	2.9
145.10143	13.5
147.08041	17.6
149.09583	4.6
151.11244	4.4
158.90033	2.4
159.08031	6.6
159.11719	6.1
161.09634	13.5
163.11169	32.5
165.09088	7.7
167.06985	6.0
177.09126	8.6
179.10655	5.7
181.12247	28.7
185.13295	3.8
187.11212	6.1
189.09053	5.3
203.14310	7.3
205.12245	12.9
207.10118	12.5
219.01871	4.3
221.15355	4.7
227.14319	6.4
233.15428	5.9
237.02727	3.7
245.15355	23.0
252.09422	2.9
263.16412	53.6
273.08334	3.0
279.04166	3.1
281.17484	100.0
386.11255	2.7
425.17474	3.5
434.56522	3.0
443.13785	3.8
443.18518	36.5
447.92551	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45687	2.0
53.03940	4.4
55.01860	4.0
55.05507	28.9
56.96563	3.9
57.03423	10.1
59.04979	7.2
61.02916	8.2
65.03934	2.0
67.05495	6.3
69.03115	2.5
69.03427	27.9
69.07051	4.6
69.84354	12.4
70.06602	2.0
70.95834	1.9
71.04984	7.1
72.08112	2.9
72.93784	2.4
73.02899	5.5
75.37385	2.2
79.05492	11.1
81.03397	10.4
81.07056	19.0
83.04987	43.0
85.02905	75.7
85.06535	4.5
86.03238	3.3
87.04474	4.3
87.31303	2.1
90.94817	2.1
91.03932	4.7
91.05469	15.3
93.07060	14.2
95.04968	15.0
95.08585	5.8
97.02888	26.0
97.06494	2.8
98.97572	7.7
99.04456	5.6
101.06013	25.6
105.07021	20.9
107.04932	5.1
107.08594	22.8
109.02872	6.8
109.06546	10.5
109.10130	6.1
110.97540	2.1
111.04346	2.1
113.09638	2.6
113.73313	2.0
115.03921	3.2
115.05446	3.9
117.07027	8.3
119.08573	19.8
121.06479	4.2
121.10133	19.8
123.08062	7.0
125.05983	4.8
127.03884	15.6
128.06219	3.7
129.06985	3.9
130.07820	3.4
131.08525	6.5
132.95784	3.8
133.06528	3.2
133.10149	10.1
135.08078	9.9
135.11690	8.8
137.06000	3.8
137.09602	7.5
142.07776	2.7
143.08571	8.6
145.04947	14.8
145.06523	3.0
145.10112	16.2
147.08040	28.0
147.11679	3.0
151.07558	3.0
157.10150	6.0
158.99574	2.2
159.08047	6.9
159.11678	6.7
160.08786	2.3
161.09636	15.8
161.13290	2.8
162.38751	2.4
163.07556	3.3
163.11182	100.0
165.09137	3.0
167.07047	3.8
169.09955	2.4
171.11612	2.8
173.13293	4.2
174.96883	3.9
175.11162	3.3
177.09079	15.3
177.12643	2.2
179.10664	4.9
179.14308	2.6
181.08638	4.2
181.12215	36.9
185.08064	3.3
185.13266	4.2
187.11200	5.2
189.09091	9.0
199.14842	3.7
203.05739	2.1
203.07483	5.9
203.14326	5.7
203.57669	4.1
205.12169	2.6
207.10129	18.3
217.15833	3.3
223.04239	3.3
223.13316	2.8
227.14246	5.7
233.15410	4.2
245.15407	18.9
261.10004	5.7
263.07364	2.9
263.16431	49.3
265.05252	14.6
265.10590	2.4
277.05405	2.3
281.08273	7.5
281.17444	21.8
323.09521	6.1
349.00281	2.4
405.14423	3.2
406.14661	2.1
425.21854	4.6
443.14838	9.2
443.22687	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01861	6.0
55.05503	7.2
57.03423	3.9
57.07094	2.8
61.02913	5.1
67.05510	14.4
68.99776	5.2
69.03436	26.4
69.07064	6.9
69.25168	7.7
69.25585	13.1
71.01355	2.4
71.05000	2.8
78.54996	2.1
79.05481	8.2
81.03423	18.6
81.07059	25.6
83.04990	9.9
83.08610	2.7
85.02905	24.4
85.06546	21.6
87.00823	8.7
87.43587	1.8
91.05476	6.3
93.07044	14.8
95.04984	33.1
95.08616	23.0
97.02892	14.4
97.06527	7.9
99.04466	5.0
99.08116	2.2
103.03928	3.1
105.01839	3.2
105.07043	13.4
107.04965	6.3
107.08596	19.9
109.02902	23.9
109.06520	6.4
109.10146	7.2
111.04436	2.7
117.06993	2.6
119.08575	14.3
121.06505	5.4
121.10145	11.7
123.04440	2.4
123.08062	4.1
123.11710	7.3
125.06005	9.4
125.09651	11.2
127.03931	20.5
129.01852	4.8
129.06993	2.8
131.08569	5.2
133.10152	9.4
135.04393	1.9
135.08076	2.7
135.11679	8.7
137.05975	5.0
137.09581	4.1
137.13261	14.8
139.11165	3.0
141.07002	3.2
143.07031	4.1
143.08575	7.1
144.05727	2.7
145.04964	2.3
145.10107	6.7
147.08041	6.0
147.11674	6.1
149.05946	3.8
149.09624	3.1
149.13266	3.2
151.07533	5.7
151.11214	9.8
157.06494	3.5
157.10117	3.9
158.07338	2.7
159.08086	4.8
159.11684	5.0
161.09605	7.1
161.13200	2.6
163.11200	2.2
163.14774	2.1
165.05547	2.2
165.09103	3.9
167.07088	3.7
169.08627	4.5
170.07347	2.8
171.08031	2.0
175.14819	5.8
177.05515	2.1
177.09161	1.9
177.16402	5.9
183.11757	2.1
186.06749	5.7
187.14799	2.7
189.09062	2.9
189.16321	2.4
191.08496	2.4
199.14850	2.7
201.09090	6.7
201.16354	3.5
203.10611	2.9
205.12137	3.0
213.03922	3.1
217.12245	2.5
217.15894	3.2
219.07999	6.9
220.08835	2.4
222.06818	2.0
229.08643	10.7
231.08046	6.0
232.08705	2.3
233.09648	4.0
245.09605	3.2
245.15213	2.6
247.07510	13.0
248.08275	9.3
259.07538	4.0
261.05731	2.0
261.09125	5.2
261.18811	2.5
262.09824	4.7
263.10703	6.1
263.16437	7.0
264.07761	2.5
265.08691	4.9
265.18015	2.1
275.07016	7.2
276.07870	6.7
277.04883	2.8
277.08487	5.3
279.10077	2.7
281.17484	15.1
289.08459	2.4
290.09207	5.3
291.10104	10.8
292.07355	4.2
293.07986	10.4
294.08737	2.3
303.19849	2.3
304.07138	2.2
305.11444	2.6
307.09763	9.2
308.10410	5.3
315.08795	2.0
319.09637	8.4
321.07678	3.1
321.11163	2.3
323.12726	10.7
325.10672	2.7
336.09830	4.6
337.10657	7.6
339.06836	2.4
351.12289	15.9
353.10043	11.4
357.47568	2.1
368.12531	12.9
383.14905	100.0
384.15399	3.2
407.20798	2.6
443.22415	5.9
457.88907	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	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01847	0.7
62.23613	0.6
69.03429	0.7
71.01729	0.5
71.04982	0.6
71.14903	1.5
73.70528	0.5
75.25010	0.5
79.05490	2.9
81.07049	2.2
85.02862	0.8
86.09711	0.8
87.18700	0.5
91.05464	2.2
93.07021	2.0
95.08591	2.2
97.02939	0.8
97.70765	0.5
99.08022	0.6
105.07013	1.9
107.04969	3.0
107.08591	1.4
109.10114	1.4
115.05476	1.0
119.08563	1.7
121.10111	1.2
128.06200	0.9
129.07002	2.2
130.07913	0.5
131.04803	0.7
131.08574	1.8
133.10132	1.7
135.08051	0.7
135.11699	1.2
137.05934	0.8
140.06252	0.7
141.06972	2.9
144.05710	1.3
145.06526	1.1
145.10077	0.9
146.63200	0.6
149.09662	0.7
151.07539	2.4
153.05521	0.8
157.06508	3.6
158.07224	1.6
159.08026	3.7
159.11731	0.7
161.05963	0.8
161.13315	0.6
165.06985	1.0
165.09067	1.3
167.07037	4.8
167.08315	0.9
169.06522	2.1
170.07251	2.4
171.08022	1.0
173.09576	0.6
173.13274	1.2
175.07562	0.7
177.05470	0.7
179.08530	0.8
185.06018	0.6
185.13242	0.7
186.06734	3.9
187.07472	2.9
190.07732	1.3
191.07039	0.8
191.08542	2.6
191.10527	1.3
192.09279	1.2
194.07274	0.9
200.08342	2.1
201.09120	3.9
202.07741	3.0
203.08578	4.0
203.10310	0.8
205.06516	1.9
205.08444	1.2
207.08066	1.3
208.05165	1.4
211.07471	1.2
214.06293	0.8
215.08600	2.1
217.08575	2.1
218.07286	1.7
219.08040	6.6
220.08841	5.4
221.05994	0.9
221.09570	0.9
222.06784	1.7
229.06430	1.3
229.08588	13.2
230.07280	2.0
231.08022	6.9
231.10168	1.9
232.08858	2.4
233.05823	2.2
233.09657	3.7
234.06709	1.7
234.10378	1.9
235.07448	1.7
235.11194	1.2
236.04674	0.7
237.09076	2.3
243.07880	0.8
245.09612	2.5
246.06801	1.2
247.07516	11.8
247.09731	4.4
248.08321	11.5
249.09056	2.7
250.06227	2.5
251.07091	1.3
251.10666	0.9
254.05807	1.2
258.06836	1.7
259.07465	3.7
260.08273	1.7
261.05438	1.4
261.09070	4.2
262.06192	1.7
262.09909	4.8
263.07147	1.7
263.10620	6.9
264.07788	2.2
265.08600	5.5
269.08078	2.2
273.09052	1.8
274.06378	0.7
275.07010	5.9
276.07785	8.3
277.04999	1.4
277.08551	5.3
277.11813	0.9
278.05847	1.6
278.09363	1.3
279.06909	1.4
279.10095	2.9
280.10855	0.9
282.08832	0.9
287.06912	1.3
289.08292	1.5
289.11069	1.3
290.06030	1.3
290.09360	5.7
291.06955	0.8
291.10132	14.8
292.07315	4.8
292.10461	1.0
293.08102	9.1
293.11319	1.3
294.08820	2.1
297.11246	0.8
299.09274	0.8
303.06390	0.9
304.07135	1.7
305.08060	3.4
305.11691	2.7
306.08771	1.5
307.06058	1.8
307.09631	7.4
308.10425	5.2
309.07834	0.8
309.11273	1.3
310.08456	1.7
315.08582	5.1
318.08838	1.8
319.09613	9.3
320.06955	1.4
321.07663	6.6
321.11145	1.1
322.08255	2.9
322.12006	2.5
323.05792	0.7
323.09238	0.8
323.12689	10.8
324.09955	0.8
325.10730	2.6
330.11026	4.8
331.11755	0.8
333.11237	0.9
335.09232	3.2
336.09900	7.0
337.10577	7.6
338.07758	2.6
343.11612	0.8
350.11365	2.1
351.12253	19.5
352.12903	2.5
353.10132	10.7
368.12509	11.8
379.30115	1.1
383.14868	100.0
384.15277	2.2
397.31042	1.6
425.30298	1.0
443.17264	1.7
443.26407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52153	0.7
53.48350	0.9
55.01868	0.8
55.05505	4.7
57.03423	0.8
65.03931	0.9
67.05492	5.4
69.03417	3.3
69.07063	5.4
71.04948	0.8
71.61666	0.8
73.02889	0.8
79.05495	4.5
81.03402	1.7
81.07056	10.9
83.04966	1.5
83.08619	3.6
85.02891	2.0
85.06531	2.6
91.05470	5.1
93.07043	6.9
95.04963	2.1
95.08606	8.1
97.02847	1.3
97.06543	1.5
97.10189	0.9
99.08066	1.4
100.11210	1.2
105.07028	6.5
107.04936	3.6
107.08594	7.0
109.06505	1.1
109.10148	10.7
111.04418	2.2
111.08068	2.8
113.09626	0.7
115.05442	1.2
116.44942	0.7
117.07024	1.2
119.08579	6.7
121.06499	1.9
121.10143	6.0
123.08057	2.6
123.11704	1.8
124.05208	0.7
125.05972	1.0
127.04015	0.9
128.06226	1.5
129.07002	2.5
130.07722	1.0
131.08516	4.4
133.06538	0.9
133.10141	5.0
135.08029	3.2
135.11696	2.6
137.05971	2.8
137.09596	3.2
139.11206	1.9
141.06985	3.4
142.07713	0.9
143.08565	2.1
144.05537	0.9
145.06503	1.2
145.09024	0.7
145.10091	4.1
147.11694	3.1
149.09576	2.3
149.13187	1.9
151.07539	7.8
151.11137	1.0
153.47311	0.8
154.37830	0.7
155.08586	0.9
156.05759	0.9
157.06471	4.4
157.10130	1.9
158.07222	1.6
159.08043	2.1
159.11649	2.9
161.09515	1.0
161.13232	2.3
163.07477	0.9
163.11160	1.9
163.14809	1.1
165.06966	1.3
165.09120	12.8
167.07054	7.0
169.06491	1.7
169.10078	1.6
170.07260	2.7
170.15395	1.2
171.11647	1.4
173.09639	1.2
173.13211	2.2
175.07547	1.8
175.11156	1.5
176.08263	0.8
177.09093	5.1
179.14296	0.9
181.08652	0.9
181.10147	1.7
183.11703	1.5
185.05963	1.0
185.13248	1.0
186.06744	5.4
187.07523	1.0
187.11163	1.5
187.14737	1.1
189.06931	1.0
189.09053	0.8
189.12750	1.0
189.16319	1.9
190.07727	1.5
191.06995	1.1
191.08565	2.1
191.10654	5.9
193.10165	1.1
197.13225	1.1
199.14885	1.4
200.08316	2.3
201.09164	4.6
201.12794	1.0
201.16409	1.3
202.07785	2.6
203.08525	3.1
203.10550	1.7
203.14326	1.1
203.17981	0.9
205.06512	2.1
205.08606	2.1
205.12134	3.6
207.08145	0.9
208.05119	1.7
209.09723	1.2
210.14719	0.8
211.07512	0.9
211.14883	1.4
215.08582	1.5
215.14227	1.2
217.12164	1.0
218.07278	2.2
219.08055	8.0
219.10027	1.4
220.08832	3.9
221.09659	1.0
222.06755	0.8
225.12900	1.0
229.08578	12.7
229.15941	0.8
230.07301	1.8
231.08006	8.0
231.10153	1.7
232.08804	2.3
233.05981	2.7
233.09637	4.4
234.06602	1.4
235.07526	1.9
235.11232	1.6
237.09109	1.6
243.08092	1.2
244.08781	1.3
245.09621	3.4
246.06879	1.0
247.07515	12.2
247.09718	1.8
248.08322	9.4
249.05463	1.1
249.09053	3.2
250.06306	1.8
250.09857	0.8
251.06944	1.0
251.10751	0.9
258.06775	2.0
259.07532	3.2
260.08307	1.8
261.05505	1.1
261.09109	5.5
262.06296	1.2
262.09845	4.3
263.07294	1.1
263.10632	7.4
263.23660	1.0
264.07858	3.2
265.08536	4.9
269.08185	1.3
273.09006	1.3
275.07037	5.2
276.07837	8.9
277.05359	1.4
277.08548	5.5
277.11761	1.2
278.05737	2.0
278.09229	0.9
279.06830	0.9
279.10208	2.6
280.10513	0.9
282.08847	1.7
289.05209	1.4
289.08328	1.4
290.09238	5.0
291.07010	1.0
291.10135	14.1
292.07248	6.1
292.10516	1.4
293.08081	9.7
294.08820	1.9
295.05948	1.8
304.07367	2.1
305.08072	2.8
305.11380	1.9
306.05032	1.1
306.08890	1.1
307.06079	1.5
307.09540	9.4
308.10382	7.0
309.10992	1.4
310.08432	1.6
315.08600	4.3
318.08755	0.9
319.09555	7.4
320.06815	1.8
320.10300	1.9
321.07474	4.8
321.11182	2.1
322.08206	3.0
322.11740	1.4
323.12756	9.2
325.10770	2.3
326.11496	1.2
330.10986	4.0
331.11746	0.8
335.09085	3.9
336.09909	5.8
337.10736	8.5
338.07813	2.0
340.13065	1.2
350.11600	1.8
351.08011	1.1
351.12268	16.9
352.12930	3.1
353.10184	11.0
368.12589	15.6
371.06152	0.9
383.14877	100.0
384.15051	1.7
425.30426	6.4
425.35083	0.7
442.34354	0.8
443.18521	1.9
443.35007	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	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05493	1.0
62.98545	1.0
65.09954	1.1
67.05508	2.2
69.03419	1.6
69.07049	2.1
70.06576	1.9
71.04996	1.5
71.40393	1.3
71.40736	1.2
72.08147	1.8
79.05493	3.6
81.07052	3.7
83.04995	2.2
85.02905	3.5
86.09708	4.5
91.05476	2.3
93.07033	3.2
95.04982	1.9
95.08591	2.9
97.02921	1.6
97.06526	2.2
101.06098	1.2
105.07037	3.3
107.04961	6.9
107.08573	2.2
109.06541	1.4
109.10168	1.7
112.17598	1.1
114.87084	1.0
115.05497	1.7
116.07125	1.7
119.08551	2.1
121.06515	1.3
121.10147	2.3
123.04401	1.0
125.06007	2.2
127.07410	1.2
129.07014	1.8
131.08560	3.0
133.10104	1.9
135.08075	2.4
135.29974	1.0
137.06032	1.4
141.07004	3.8
141.42232	0.9
143.07057	1.2
143.08644	1.2
145.10112	1.7
147.11713	1.5
151.07562	1.3
157.06458	3.7
158.07303	2.8
159.08069	3.6
159.11708	1.6
160.05197	0.9
161.06065	1.0
161.09573	1.8
167.07051	4.5
169.06537	1.7
170.07312	2.5
174.52338	1.0
175.32410	1.1
186.06795	5.0
187.07536	2.4
187.11232	1.3
187.14619	1.1
188.53413	1.0
190.07756	1.7
191.08614	2.3
194.07320	1.2
199.07515	1.1
200.08415	1.9
201.09164	2.9
202.07765	3.0
203.08606	2.3
205.06633	1.2
205.12189	1.1
207.08180	1.5
208.05115	1.2
215.08644	2.5
215.10547	1.9
217.08530	1.2
218.07288	3.0
219.01883	1.1
219.08080	7.7
219.09978	1.5
220.08762	5.7
221.09586	1.2
222.06715	1.5
224.51649	1.0
229.08615	11.2
230.07210	2.0
231.08060	7.1
231.10033	1.5
232.08833	2.0
233.06015	1.4
233.09599	4.5
234.06665	1.2
237.02898	1.3
237.09012	2.1
245.09674	2.5
247.07529	11.5
247.09760	3.5
248.08269	10.1
249.09087	2.3
250.06297	2.2
259.07614	3.6
260.08362	1.6
261.09100	4.8
262.06516	1.1
262.09918	3.9
263.07239	1.6
263.10690	8.4
263.16556	2.3
264.07837	3.1
265.08572	4.3
269.08167	2.2
273.09247	1.2
275.07095	6.2
276.07889	8.7
277.04935	1.4
277.08566	4.3
278.05740	2.2
279.06454	1.4
279.10181	2.8
289.08310	1.2
290.09283	5.8
291.10129	13.3
292.07324	4.1
292.10751	1.7
293.08118	10.2
294.08890	1.9
295.06018	1.4
304.07086	1.9
305.08188	3.9
305.11664	2.7
306.08936	1.5
307.09631	8.9
308.10422	6.9
309.11261	1.6
310.08359	1.1
315.08676	6.7
318.08743	1.6
319.09616	9.3
320.10342	1.8
321.07791	5.5
321.11102	1.9
322.08304	3.1
322.12054	2.8
323.05399	1.1
323.12738	10.7
325.10669	1.5
330.11066	6.0
333.11060	1.1
335.09045	2.2
336.09946	7.3
337.10742	6.6
338.07831	3.5
343.11948	1.0
350.11661	1.4
351.12308	16.7
352.13019	3.7
353.10208	10.2
368.12534	11.9
383.14899	100.0
384.15540	1.5
392.70486	1.1
415.47180	1.2
443.17664	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	4.5
54.12836	1.3
55.04244	3.8
56.96583	1.7
57.03435	1.5
67.32616	1.2
69.03432	4.3
71.60336	1.2
71.60822	1.7
80.05012	1.2
81.03444	1.4
81.04542	21.7
82.05333	8.0
85.02901	6.1
94.65449	1.2
97.02909	2.3
98.97591	3.7
107.99638	1.3
109.65881	1.4
116.98643	1.6
121.02920	1.3
122.07153	100.0
123.07936	99.2
128.98611	1.2
136.06216	3.6
147.04445	2.1
158.99733	1.7
160.04283	2.1
163.03915	4.4
165.07722	3.5
172.04289	2.6
177.00699	1.6
187.50029	1.2
237.02946	3.2
281.10672	54.5
443.16055	79.3
444.16400	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	443.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.13474	0.5
55.01872	0.5
55.05498	0.8
56.96559	0.8
57.03427	1.0
60.48254	0.6
61.02884	0.7
62.70596	0.6
62.72394	0.5
67.05505	0.7
69.03408	1.9
69.72411	0.9
69.72816	2.2
71.04987	1.2
76.57159	0.5
76.73650	0.5
79.05467	0.7
81.03412	1.3
81.07050	0.6
83.01089	0.8
83.04971	1.1
84.01883	0.6
84.08148	0.8
85.02898	6.0
91.05439	1.0
93.07024	1.0
95.01060	2.0
95.04958	1.3
96.01832	1.0
97.02866	2.1
98.97566	1.5
105.07031	1.1
107.04976	0.6
107.08633	0.6
109.06517	0.7
109.10123	1.1
110.97565	0.7
111.00526	0.7
112.01329	1.2
113.02126	2.5
116.71204	0.5
119.08543	1.9
121.10125	0.7
122.06024	0.5
127.03875	0.9
133.10136	0.9
135.08089	1.0
137.09616	1.1
143.30188	0.5
145.10063	0.7
147.04362	0.5
147.09198	2.2
147.11626	0.5
157.04698	0.7
159.08060	3.1
159.11749	0.8
163.03827	1.2
163.11174	2.1
167.03230	0.8
167.07062	0.9
177.09013	0.7
179.03368	1.2
181.12160	0.6
185.04214	3.8
196.72612	0.5
201.03673	1.4
203.05287	1.3
203.14352	0.7
206.05513	10.4
207.06168	1.4
219.01746	1.5
227.14291	0.7
237.02806	0.6
243.08426	0.8
245.15340	2.0
249.07346	1.5
259.07834	1.8
263.16397	2.6
281.09793	0.9
281.14923	1.7
383.12845	0.7
412.13101	0.7
413.13754	1.1
428.58899	0.6
443.15146	100.0
444.15463	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	443.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	37.1
57.03426	14.3
61.02913	8.0
66.58035	5.3
69.03423	25.5
71.01754	6.7
71.02099	10.5
73.02921	15.1
81.03419	5.7
84.96029	19.9
85.02893	41.5
97.02891	24.7
98.97578	100.0
99.04428	6.2
110.97581	31.0
116.98614	41.1
119.01778	10.9
124.99092	9.0
125.01823	5.4
127.03923	15.5
128.98625	33.1
131.00172	8.4
134.99609	8.7
140.98578	5.8
143.00177	18.6
143.01918	5.3
145.04927	9.8
146.99654	12.7
149.01183	7.4
152.98578	9.0
155.02831	8.5
158.99657	52.7
161.01183	17.8
161.02872	8.1
163.03938	9.4
170.99638	23.3
177.00699	25.9
182.99606	6.9
185.01306	7.5
189.00693	19.3
191.03917	14.5
200.04378	12.3
201.00726	18.7
203.02232	6.4
219.01740	68.4
236.07332	8.8
237.02821	63.9
261.02771	9.3
263.05975	13.1
272.06558	69.9
272.56689	17.2
281.07150	11.9
291.07330	5.6
309.08759	10.1
310.59595	5.6
329.05481	25.4
333.04611	10.4
347.06506	12.3
351.05890	17.7
390.51669	5.5
443.09027	86.5
443.15033	12.3
465.44879	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	443.095
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
55.61837	9.2
56.96512	11.1
71.61065	10.5
73.30596	8.8
81.91599	9.1
85.02863	12.5
89.13171	9.0
98.97573	15.0
127.48178	9.9
154.45622	9.2
163.03874	25.2
237.02797	13.2
343.92291	12.5
443.09671	100.0
443.14764	15.0
443.19180	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	443.095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55995	7.8
55.18912	8.6
65.01952	8.7
69.98395	44.4
71.74512	9.2
73.25255	8.7
84.04245	8.7
90.55975	8.8
98.20719	11.9
111.68843	8.8
185.24149	9.1
191.32207	9.4
272.06464	21.1
351.63327	9.4
443.09552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55148	0.9
53.03947	1.4
55.01871	7.9
57.03438	16.3
59.04993	2.0
61.02930	14.3
69.03431	29.0
69.31968	9.0
71.01340	3.3
71.04998	1.3
73.02918	62.9
73.61427	0.9
81.03430	6.9
85.02908	100.0
87.04475	5.4
88.13952	1.0
91.03961	3.5
94.64140	0.9
95.08609	1.5
97.02893	55.0
99.04461	4.8
103.03950	2.9
109.02879	9.1
115.03939	26.8
119.08606	1.3
120.08904	1.0
127.03924	28.9
132.06548	1.0
133.04968	36.7
133.10168	1.4
145.04965	51.1
149.05939	1.1
150.07616	2.0
163.06024	21.3
193.04994	1.2
199.06004	1.4
207.17480	2.4
208.17966	1.1
213.07622	1.2
217.07065	1.2
220.14162	0.9
223.05983	6.0
227.16522	1.0
241.07118	5.8
259.08151	5.3
277.09122	1.2
280.10394	1.1
293.19656	1.2
295.10056	1.1
349.56210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01863	6.2
57.03433	15.8
61.02928	12.4
69.03074	1.9
69.03430	35.0
70.89366	3.6
71.01354	2.5
71.04994	2.0
71.08636	1.8
73.02919	62.3
79.05484	1.2
81.03416	7.4
81.07047	2.7
83.64812	1.3
85.02906	100.0
87.04446	3.6
91.03926	3.7
91.05479	1.7
93.07031	1.6
95.08591	2.6
97.02895	59.5
98.97561	1.1
99.04436	4.6
103.03934	3.4
105.07050	1.8
107.08602	1.4
109.02879	10.2
115.03940	28.4
119.08578	2.3
121.10159	1.1
127.03923	34.7
133.04977	31.7
133.10109	1.9
138.09134	1.4
145.04965	46.1
145.10071	1.6
150.07631	2.6
163.06027	23.3
169.04912	1.4
193.04942	2.1
199.05890	1.4
211.06076	1.5
223.06010	5.3
241.07050	3.6
259.08084	6.3
276.91492	1.3
293.19562	1.3
295.10062	1.5
383.14908	2.2
400.06287	1.2
403.11957	1.8
424.29282	1.6
442.25104	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01863	6.2
57.03433	15.8
61.02928	12.4
69.03074	1.9
69.03430	35.0
70.89366	3.6
71.01354	2.5
71.04994	2.0
71.08636	1.8
73.02919	62.3
79.05484	1.2
81.03416	7.4
81.07047	2.7
83.64812	1.3
85.02906	100.0
87.04446	3.6
91.03926	3.7
91.05479	1.7
93.07031	1.6
95.08591	2.6
97.02895	59.5
98.97561	1.1
99.04436	4.6
103.03934	3.4
105.07050	1.8
107.08602	1.4
109.02879	10.2
115.03940	28.4
119.08578	2.3
121.10159	1.1
127.03923	34.7
133.04977	31.7
133.10109	1.9
138.09134	1.4
145.04965	46.1
145.10071	1.6
150.07631	2.6
163.06027	23.3
169.04912	1.4
193.04942	2.1
199.05890	1.4
211.06076	1.5
223.06010	5.3
241.07050	3.6
259.08084	6.3
276.91492	1.3
293.19562	1.3
295.10062	1.5
383.14908	2.2
400.06287	1.2
403.11957	1.8
424.29282	1.6
442.25104	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01866	7.0
55.05500	2.0
57.03437	15.1
57.07093	1.4
59.04989	2.8
61.02923	12.4
69.03075	2.2
69.03432	36.3
69.09792	1.5
69.48258	8.3
69.48680	3.6
71.01343	2.7
71.04971	2.6
71.08622	2.2
73.02916	57.7
81.03410	7.1
81.07064	3.0
82.11536	1.6
85.02906	100.0
87.04451	5.1
91.03967	2.9
95.08630	2.5
95.11418	1.7
97.02893	54.4
99.04446	5.7
102.69656	1.8
103.03934	4.3
105.07026	2.5
107.08591	1.6
109.02870	8.5
111.73550	1.5
115.03930	24.0
119.08588	2.0
121.10056	1.7
127.03922	34.6
133.04967	37.2
135.11517	1.5
139.53877	1.7
145.04951	47.5
145.06120	2.3
145.10115	2.0
150.07591	1.6
163.06015	21.8
217.07005	1.8
223.05971	3.6
241.07072	8.5
259.08136	6.6
270.43835	1.8
277.09277	2.2
306.62592	1.7
442.25040	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	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76593	2.2
57.03439	2.7
57.07072	4.5
67.05503	9.8
69.03413	9.4
71.04981	3.5
71.61082	3.5
73.02913	5.5
85.02915	30.3
85.06527	6.0
86.37868	2.4
87.04461	4.1
87.72792	2.9
91.03962	2.7
95.04961	10.8
97.02892	11.7
98.97563	3.8
99.84382	2.1
103.96690	2.9
113.06014	37.2
115.03888	3.1
127.03917	7.2
131.07051	100.0
133.04976	4.1
135.04437	3.2
145.04967	13.1
163.03883	13.2
163.05963	4.9
164.04251	3.1
217.04060	2.8
219.01833	4.2
237.02702	4.2
293.12210	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	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05509	14.0
57.07074	8.5
65.03942	2.0
67.05505	29.0
69.03419	2.7
69.07071	21.6
71.04983	3.0
71.61936	3.6
79.05490	18.0
79.24248	2.0
81.06566	3.7
81.07056	75.2
83.08616	14.0
85.06524	3.1
91.05478	21.2
93.07042	45.1
95.04972	4.0
95.08604	100.0
97.06551	5.7
97.10164	9.1
99.08109	2.3
99.83793	2.1
105.06370	3.2
105.07027	34.9
107.08595	57.6
109.06519	4.5
109.10155	51.6
111.08086	6.7
117.07004	9.5
119.08585	47.3
120.08925	2.8
121.06532	3.5
121.10143	43.9
123.08073	2.8
123.11710	24.2
125.09558	3.0
128.06274	2.3
129.06998	5.3
131.08566	21.3
133.06535	2.6
133.07523	2.1
133.10132	45.9
135.08063	5.7
135.11697	40.2
137.09605	3.6
137.13252	35.3
142.07761	2.3
143.08597	9.7
144.09299	2.4
145.10120	27.3
147.08070	3.1
147.11678	27.4
149.09605	3.9
149.13280	24.5
149.44153	1.9
151.11134	3.1
151.14867	3.1
155.08551	3.5
156.09264	2.4
157.10129	17.0
158.10838	2.7
159.07996	2.3
159.11717	26.5
161.09660	4.5
161.13264	20.5
163.11162	5.5
163.14816	13.4
165.09128	11.6
169.10106	5.6
171.11705	12.3
173.09697	4.2
173.13278	21.5
175.11203	4.0
175.14806	16.9
177.12804	5.6
177.16379	8.9
179.14322	3.5
183.11684	7.1
185.13286	13.0
187.11247	2.7
187.14822	17.1
189.12769	5.3
189.16359	24.1
191.14392	5.2
191.17967	24.8
193.15862	5.1
195.11703	3.4
197.13255	5.6
199.14842	13.5
201.12718	3.0
201.16327	9.0
203.10661	2.8
203.14380	6.1
203.17949	11.4
205.12270	4.0
205.15939	5.5
205.19456	5.6
207.17496	8.8
211.14856	3.8
212.35429	1.9
213.12715	2.4
213.16402	9.6
215.14375	3.8
215.17972	10.1
217.12181	1.9
217.15907	6.2
217.19450	10.6
219.13795	4.8
219.17413	3.8
221.15398	2.9
225.16374	5.7
227.18030	9.8
229.15851	2.4
229.19485	3.5
231.17548	4.5
233.15387	3.7
233.19002	3.7
235.16959	3.4
239.17970	3.2
241.19487	6.7
243.17430	3.6
243.21147	3.6
245.19028	4.0
253.19557	2.7
255.21024	4.0
257.15305	2.0
263.36710	2.2
267.21051	2.3
269.19226	2.3
281.22800	3.0
285.22098	3.3
393.35425	2.2
405.31253	2.8
405.35577	4.3
411.36261	3.7
423.32181	15.3
423.37051	4.6
441.33557	44.6
442.33435	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.05512	13.6
55.85051	3.2
59.61316	2.8
67.05515	25.9
69.07062	21.0
69.59190	5.7
69.59590	13.4
79.05504	16.0
79.39775	3.1
81.07063	68.3
83.08623	7.2
85.06496	3.2
91.05499	16.9
93.07047	45.2
95.08608	100.0
97.10213	4.8
97.30589	2.8
98.21590	2.8
105.07027	33.6
107.08600	54.9
109.10159	47.3
111.08096	8.5
111.11701	3.2
117.07018	5.3
119.08578	37.4
121.10156	48.1
121.31834	2.8
123.08091	3.5
123.11724	21.1
129.06993	3.6
131.08533	17.4
133.10143	36.1
135.11688	42.4
137.13252	11.3
137.92381	2.8
139.11192	15.8
143.08524	6.9
145.10107	29.2
147.11696	27.3
149.09668	3.5
149.13260	31.3
149.57118	3.2
151.11263	4.0
155.08595	3.1
157.10161	10.1
159.11694	24.6
161.13239	19.0
163.11194	3.2
163.14870	14.7
165.12715	4.3
169.10062	3.2
171.11726	8.7
173.13249	20.4
175.11244	2.9
175.14774	18.3
177.12823	6.3
177.16370	33.3
183.11771	4.0
185.13289	11.3
187.14897	14.8
189.16386	29.5
191.14307	5.9
191.17918	17.7
195.17479	24.7
197.13367	3.8
199.14807	4.4
201.16440	18.4
203.17979	21.6
207.17448	8.2
211.14828	3.2
213.16373	4.6
215.14381	12.5
215.17973	13.2
217.15956	6.6
217.19514	8.6
219.13722	7.1
219.17400	3.8
227.17957	9.5
229.15996	3.2
229.19479	11.5
231.17476	3.3
233.15424	6.0
233.19077	7.8
241.19545	3.3
243.21111	3.8
245.19057	4.3
247.20628	3.3
255.21193	4.5
257.22687	4.7
323.27383	3.3
405.31500	8.7
411.36200	35.0
423.32040	8.9
423.36252	12.4
441.33090	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05519	2.7
57.07070	0.9
59.04981	0.4
60.23351	0.4
67.05504	4.3
69.03423	1.6
69.07070	6.0
70.79227	1.5
79.05488	2.6
81.07061	11.1
83.04982	4.5
83.08623	2.3
91.05479	2.0
93.07053	7.6
95.04969	1.9
95.08612	20.2
97.06555	1.3
97.10168	1.8
103.69231	0.4
105.07024	4.8
107.08601	13.0
109.06522	1.9
109.10162	12.3
111.08067	0.7
111.11733	1.9
117.07041	0.7
119.08580	8.0
121.06499	1.6
121.10149	11.7
123.08104	2.1
123.11718	7.0
125.09647	0.9
131.08572	1.9
133.10150	6.1
135.08070	3.9
135.10678	0.8
135.11699	12.4
137.09624	1.3
137.13254	5.3
139.11171	1.3
143.08522	0.8
145.10107	3.1
147.08104	0.5
147.11700	3.3
149.09624	18.5
149.13261	3.5
151.11186	0.7
153.12703	0.4
157.10184	1.0
159.09425	0.4
159.11719	3.1
161.09636	1.0
161.13254	2.7
163.11206	1.6
163.14832	1.8
167.14226	0.5
171.11737	1.8
173.13304	2.8
175.11198	0.8
175.14825	3.7
177.12845	0.7
177.16388	4.4
179.14302	0.7
185.13309	1.1
187.14850	1.7
189.12708	0.5
189.16385	6.2
191.10834	0.5
191.14345	0.7
191.17961	5.4
199.14865	0.9
200.94734	0.4
201.16371	1.0
203.17889	0.9
205.15883	1.3
205.19539	1.5
207.17500	0.7
213.16383	1.2
215.17982	4.1
217.15913	1.4
217.19537	1.0
227.17937	1.0
229.19624	1.0
231.17494	1.4
233.18994	4.3
235.16980	2.6
243.21153	0.5
245.19052	1.1
247.20554	0.7
259.20596	0.5
261.22177	1.0
269.22601	1.2
285.22067	0.6
287.23706	10.7
301.25308	0.7
405.35406	0.5
423.36551	2.1
441.37308	100.0
442.37625	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.49150	3.2
52.06958	3.5
54.34211	4.3
55.05503	15.7
57.07056	6.0
67.05503	23.7
69.07077	35.8
79.05494	9.4
81.07054	59.9
83.08613	15.0
91.05472	9.6
93.07051	25.3
95.08038	6.4
95.08609	100.0
97.10173	5.7
105.07021	19.0
107.08596	47.7
109.10155	67.6
111.08118	4.7
111.11705	11.8
119.08573	45.0
121.06479	4.5
121.10148	47.2
123.11696	27.3
131.08531	9.3
133.10139	33.7
135.08095	4.1
135.11676	25.3
137.09639	5.1
137.13249	22.2
143.08577	3.9
145.10136	14.3
147.11688	15.4
149.09676	3.8
149.13255	23.4
151.14815	4.9
157.10127	11.0
159.11697	15.3
161.13266	13.7
163.14807	12.6
165.12790	3.8
171.11658	9.4
173.13252	17.4
175.14818	15.2
177.12721	4.0
177.16356	14.4
185.13213	4.2
187.14810	11.4
189.16388	14.1
191.17885	22.6
193.12238	4.6
199.14841	8.0
201.16325	9.7
203.17986	5.2
205.19530	16.1
213.16354	6.1
215.17949	6.1
217.15910	6.8
217.19501	8.4
219.21054	5.4
227.17804	6.1
229.19484	9.4
231.17511	6.5
231.21088	8.5
235.16940	15.0
243.21043	4.3
245.22708	8.8
405.35184	47.4
423.36383	34.2
441.32227	5.1
441.37466	72.5
442.37466	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.1
57.07080	8.7
57.91839	4.3
58.65246	4.6
61.00409	4.6
67.05504	23.8
67.05820	4.4
69.07070	44.5
72.04520	4.9
79.05492	14.3
81.07059	64.1
83.08604	18.1
91.05509	13.2
93.07053	32.4
95.08034	8.7
95.08607	100.0
97.10156	12.7
98.20306	4.8
99.04471	7.6
105.07029	29.2
107.08601	66.9
109.10158	73.4
111.11736	17.2
119.08610	36.8
121.10152	49.0
121.45120	4.8
122.10481	4.4
123.11709	40.8
131.08591	7.7
133.10138	34.9
135.11705	39.2
137.13260	36.4
145.10173	10.3
147.11708	22.6
149.13237	19.5
159.11739	8.7
161.13245	16.1
163.14830	11.6
173.13208	6.1
175.14812	6.8
177.16403	7.4
187.14925	7.1
189.16367	11.0
191.17896	11.0
201.16306	6.1
203.18059	6.0
205.19502	12.3
217.19460	8.3
223.16942	6.5
231.21034	11.0
243.21005	8.0
245.22627	23.1
257.22641	12.0
271.24237	11.8
285.25848	6.2
303.23102	11.8
310.53253	5.1
423.43689	5.7
441.37357	95.9
441.44400	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.68798	4.3
51.73587	3.7
52.63198	4.1
55.05513	14.4
64.13815	3.7
67.05513	23.7
69.07069	41.0
70.85721	4.9
70.86055	8.2
79.05492	10.2
81.07069	57.3
82.20053	4.1
83.08624	11.8
84.09062	3.8
86.72346	3.9
91.05450	9.5
93.07045	27.8
95.08043	6.6
95.08614	100.0
97.10181	11.8
99.08111	7.1
105.07028	22.8
107.08584	49.9
109.10149	67.1
111.08109	5.3
111.11723	8.7
119.08579	72.9
121.10161	52.3
123.08068	6.5
123.11722	34.8
131.08565	13.7
133.10133	36.3
135.11674	29.4
137.13274	13.8
137.39365	4.1
145.10124	21.4
147.11681	23.6
149.13263	17.6
156.09372	6.6
157.10117	10.6
159.11668	28.3
161.09717	5.8
161.13280	19.1
163.14819	14.8
165.12788	6.7
171.11687	15.7
173.13283	19.5
175.14787	20.2
176.44092	4.4
177.16454	13.9
185.13257	10.0
187.14838	11.4
189.16399	17.9
191.18001	16.0
193.15836	4.8
193.19290	4.5
199.14824	16.6
201.16447	8.9
203.17931	8.1
205.19592	9.4
213.16467	11.7
215.18004	7.7
217.15906	9.2
217.19540	6.5
219.17445	7.2
219.21008	5.7
231.17484	10.4
231.21147	18.3
235.17001	17.4
255.21111	5.9
257.57278	4.4
269.22659	17.1
281.22778	5.7
337.28769	4.4
345.27820	7.8
357.27963	6.0
358.40082	5.0
405.35052	39.6
423.36725	25.6
435.52606	5.1
441.37625	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03921	0.5
55.05497	2.1
55.05745	0.5
57.07067	1.1
59.04977	0.6
67.05502	3.2
69.07058	3.4
69.44711	1.8
69.45132	2.4
74.12304	0.6
79.05473	2.5
81.07057	5.9
83.08602	2.3
85.06524	0.7
91.05473	2.5
93.07045	5.5
95.08608	11.0
97.06509	0.6
97.10154	0.7
98.20752	1.0
99.08097	0.9
105.07014	3.9
107.08593	15.7
109.06535	0.6
109.10149	6.5
111.08052	1.7
113.09618	1.0
115.65292	0.5
117.06969	0.7
119.08575	10.1
121.10142	13.8
123.08067	1.6
123.11697	2.5
131.08562	0.9
133.10115	6.8
135.08067	0.8
135.11693	6.8
137.09660	1.0
137.13261	0.8
145.10103	3.8
147.11679	2.7
149.09631	2.7
149.13255	2.7
151.11209	0.8
156.60751	0.6
159.11694	5.3
161.13251	6.8
163.11165	1.6
163.14873	1.0
173.13284	2.0
175.14822	8.1
177.12869	0.8
177.16383	28.4
187.14883	1.0
189.16354	1.6
191.14177	1.0
191.17915	4.5
193.15865	0.9
199.14680	0.7
201.16409	4.5
205.15947	1.4
207.17529	0.7
215.17943	1.5
217.19456	0.7
219.17435	100.0
220.17799	1.7
227.17892	0.7
233.19003	6.9
241.80380	0.6
254.20389	0.7
279.80527	0.5
423.32297	2.4
423.36484	2.0
441.37729	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
53.36133	2.4
55.05501	11.6
57.07069	3.1
64.74334	2.6
67.05511	23.4
69.07072	22.7
69.34491	8.5
69.34914	16.5
79.05476	19.6
81.06585	4.4
81.07055	64.0
83.08614	10.1
90.97368	2.6
91.05476	17.4
91.97989	2.4
93.07043	42.9
95.08604	100.0
97.10162	5.6
97.23026	2.3
105.07023	39.5
107.08594	55.7
108.08977	2.7
109.10159	56.5
111.08086	9.6
111.11731	5.6
117.07005	6.3
119.08587	44.4
121.10149	47.5
123.11713	21.6
128.04338	3.3
129.07030	3.0
130.92450	2.4
131.08554	18.0
133.10129	34.0
135.11690	35.4
137.13287	8.4
139.11165	16.4
143.08563	10.3
145.10124	29.8
147.11691	27.4
149.13283	33.0
151.11087	3.1
157.10086	7.3
159.11728	19.0
161.13303	18.7
163.11192	3.3
163.14789	14.7
165.12805	2.9
171.11681	10.3
173.13268	15.7
175.14755	15.1
177.12740	3.2
177.16371	26.4
185.13260	11.6
187.14854	17.1
189.16380	29.1
191.14252	6.8
191.17955	26.4
195.17445	29.3
199.14851	10.2
201.16393	18.6
203.14404	6.1
203.17947	20.6
205.15926	4.0
205.19577	3.7
207.17476	7.0
209.13290	3.0
213.16330	8.4
215.14290	11.6
215.17844	13.8
217.15886	3.4
217.19553	7.7
219.13858	5.8
219.17470	7.7
227.18022	9.2
229.15938	2.7
229.19583	10.4
233.15445	8.8
233.18968	6.3
245.22662	5.6
247.20570	3.4
255.21147	3.9
269.22769	2.5
393.34991	5.0
405.30994	7.1
405.35736	3.2
411.36227	29.3
423.32053	10.9
423.36319	16.7
441.32874	38.5
453.44000	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05502	6.4
57.07087	1.5
66.71986	1.5
67.05515	7.1
69.07074	9.2
69.59473	3.2
69.59889	6.1
76.94211	1.3
79.05471	5.3
81.07063	15.0
83.08598	5.4
85.06512	1.9
91.05460	5.2
93.07047	13.4
95.08606	30.6
96.36781	1.4
97.06519	3.1
97.10146	2.6
99.93759	1.2
105.07021	13.7
107.08600	21.9
109.06496	1.9
109.10154	14.6
110.96139	1.3
111.08076	2.9
111.11705	3.2
117.94671	1.6
119.08580	22.4
121.06499	2.1
121.10150	21.9
122.30555	1.4
123.08060	2.8
123.11723	7.8
125.05956	2.9
131.08559	7.5
133.10138	18.4
135.08037	3.0
135.10988	1.2
135.11702	12.6
137.09596	2.5
137.13260	2.7
143.08546	6.0
145.10117	10.4
147.08034	2.5
147.11688	16.6
149.09538	1.6
149.13217	10.3
157.10141	8.1
159.11671	8.7
161.09605	5.6
161.13220	5.5
163.11142	1.5
163.14777	4.5
165.12898	1.9
169.09984	1.4
171.11702	3.7
173.13290	8.3
175.11154	2.6
175.14775	5.6
177.16341	7.2
183.11725	2.2
185.13148	2.9
187.11218	1.8
187.14803	6.7
189.12747	2.3
189.16393	24.2
191.14343	13.6
191.17941	4.6
195.17456	2.7
197.13147	1.8
199.14821	11.5
201.12833	3.2
201.16402	5.4
203.14249	1.8
203.17873	7.1
205.15823	1.8
207.17448	14.9
213.16312	3.6
215.14369	12.3
215.17859	3.5
215.71318	1.5
217.15883	65.2
217.19293	3.1
219.13811	6.7
219.17340	2.8
227.17842	2.1
231.17377	5.9
233.15306	6.7
233.18956	1.9
235.17015	1.4
239.17960	1.8
241.19504	2.6
243.20982	1.7
251.20009	4.8
273.78140	1.7
283.24258	2.5
314.92685	1.4
391.46277	1.4
393.56125	1.4
395.32837	5.1
405.31384	11.3
423.32309	11.3
423.36285	10.5
441.33432	100.0
442.33826	2.6
449.88348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.3
58.15443	3.5
59.04955	3.8
67.05505	20.4
69.07057	21.8
71.12512	10.2
79.05497	13.9
81.07050	48.2
83.08623	9.7
86.91704	3.9
91.05455	20.0
93.07024	41.7
95.08602	77.0
97.10149	4.3
105.07017	36.6
107.08594	66.7
109.10149	45.6
111.08078	17.0
119.08571	51.1
121.06489	4.6
121.10134	45.0
123.08054	11.9
123.11687	20.7
125.09653	3.5
131.08571	12.4
133.10129	42.4
135.08081	6.9
135.11711	33.7
137.09618	8.2
137.13234	5.4
145.10123	26.2
147.11664	33.3
149.13248	29.4
157.10130	9.1
159.11678	24.1
161.09622	5.4
161.13269	17.8
163.11258	5.5
163.14803	35.6
165.09094	38.3
165.12788	4.4
171.11726	3.8
173.13264	32.0
175.11250	4.9
175.14824	41.0
177.09114	4.3
177.16397	17.2
179.14230	4.8
187.14793	18.4
189.16383	36.9
191.14290	100.0
191.17982	13.2
194.58470	3.6
201.12837	3.9
201.16377	15.4
203.14386	4.1
203.17931	33.4
205.12260	5.1
205.15790	5.1
205.19563	8.0
207.17470	8.2
213.16335	4.2
215.17915	10.3
217.15948	4.4
217.19534	12.2
219.17445	5.0
229.15883	4.2
229.19556	11.0
233.18980	9.0
235.16957	3.8
241.19659	5.9
247.20509	4.9
249.37799	4.2
271.24258	5.7
299.23618	7.8
377.31955	9.3
395.33035	46.0
423.31702	7.6
423.36520	9.9
441.32712	25.3
441.38177	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	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.3
57.03437	3.7
67.05524	15.8
67.05810	3.2
69.03423	4.9
69.07059	11.3
70.21873	13.7
71.04988	8.1
79.05477	12.2
81.07062	32.4
83.04971	4.2
83.08607	7.8
85.02905	20.3
91.05473	11.0
93.07040	30.5
95.04974	4.6
95.08042	3.7
95.08607	45.0
97.02891	5.6
97.06538	4.4
97.10167	3.3
98.20839	4.4
105.07029	36.2
107.08592	40.0
109.06461	4.0
109.10158	26.0
110.13661	3.1
111.04408	3.8
115.03930	5.6
117.07017	6.9
119.07783	4.5
119.08589	69.2
120.08909	3.7
121.06471	4.8
121.10159	32.2
123.08088	3.7
123.11724	15.1
129.05447	5.7
129.06996	4.9
131.08586	23.0
133.04945	3.1
133.10123	42.3
135.08052	3.9
135.11700	35.5
137.05994	3.2
137.09642	5.2
137.13211	4.2
142.07808	5.0
143.08548	10.9
145.10132	27.7
146.25369	3.0
147.08035	3.3
147.11694	25.4
149.13261	12.5
151.11275	3.1
157.10136	27.0
158.83408	3.0
159.08032	24.3
159.11693	51.1
161.09686	13.7
161.13318	11.1
163.03996	4.3
163.11168	4.2
163.14844	9.4
165.09113	11.7
169.10107	3.6
171.11713	11.6
173.09579	3.7
173.13242	19.7
175.11220	9.5
175.14896	8.5
177.12758	6.4
183.11734	7.5
185.13297	8.2
187.14821	8.2
187.74571	3.0
189.12784	4.5
189.16399	36.6
191.10692	4.1
191.14308	3.9
191.17967	32.5
195.11719	4.6
197.13303	7.6
199.14931	6.6
201.12746	35.8
201.16422	10.7
203.18018	10.7
205.12302	5.1
207.17464	25.3
211.31061	3.0
213.16364	2.8
215.14339	9.0
215.17975	5.4
217.16022	6.2
219.13780	34.8
227.17908	6.2
233.15381	16.0
241.19745	3.4
347.27426	3.3
381.31607	7.9
383.29382	4.3
405.31464	16.9
423.32654	14.8
441.28455	8.4
441.33704	100.0
462.52936	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05515	20.8
55.84687	3.8
57.07075	5.5
58.33729	3.1
67.05506	28.2
69.03405	6.9
69.07073	26.5
71.04957	5.0
71.60779	6.6
79.05495	28.2
81.07059	67.3
83.04973	4.4
83.08616	10.9
85.02895	11.1
85.06544	6.6
91.05481	27.6
93.07047	60.4
95.04959	12.5
95.08611	100.0
97.06521	7.2
97.10162	7.3
98.97522	5.2
105.07022	58.7
107.08597	83.6
109.06498	4.1
109.10167	48.9
111.08063	10.8
113.05997	10.3
114.87849	3.6
115.03921	5.4
117.07003	9.1
119.08578	86.2
120.08885	4.5
121.06490	10.8
121.09306	4.5
121.10149	59.9
123.08042	14.6
123.11743	22.7
127.04025	3.6
131.08597	29.5
133.10132	55.5
135.08072	6.9
135.11691	50.3
136.89018	3.3
137.05983	4.2
137.09608	5.4
137.13237	9.6
143.08536	11.0
145.10126	38.2
147.08058	3.6
147.11711	40.1
149.09615	10.8
149.13260	36.6
151.07538	5.9
155.08496	4.4
157.10129	16.4
159.11702	33.7
161.09622	10.6
161.13260	29.4
163.07570	4.5
163.11201	4.1
163.14847	45.8
165.09073	15.2
167.07188	3.5
169.10170	8.1
171.02841	3.7
171.11646	12.0
173.09561	4.0
173.13293	41.3
175.11227	6.7
175.14821	50.5
177.12740	7.1
177.16360	15.3
179.14323	4.8
183.11690	8.8
185.13173	6.3
187.11212	4.1
187.14856	34.2
189.12756	7.8
189.16383	59.8
191.10585	4.1
191.14296	85.8
191.18004	25.7
193.15800	4.8
197.13304	6.9
199.14818	6.8
201.12737	6.1
201.16451	18.3
203.14230	7.3
203.17947	30.5
205.15860	9.2
205.19563	4.5
207.09966	4.9
207.13824	4.6
207.17419	10.8
211.14726	7.1
213.16399	9.2
215.14319	7.1
215.17986	17.2
217.15915	6.0
217.19427	6.1
219.13779	5.1
219.17560	4.5
225.16441	6.5
227.17969	8.3
229.15816	3.9
229.19409	9.8
231.17204	6.0
233.15445	3.8
235.16905	4.2
241.19482	9.2
247.16936	7.2
253.19398	4.1
255.21175	4.3
261.18512	4.3
287.19974	6.2
305.05472	4.1
377.31979	10.9
395.28943	5.4
395.33136	49.7
423.32599	36.7
441.24872	6.1
441.34052	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01861	2.5
55.05505	11.0
57.03430	5.4
57.07070	4.2
59.04985	1.6
61.02921	4.0
67.05501	17.6
69.03445	11.0
69.07069	17.6
71.00570	2.7
71.04996	9.7
71.08607	2.3
73.02908	6.2
75.04473	2.0
75.42831	1.7
79.05508	11.7
80.14934	1.5
81.03426	3.2
81.07051	32.1
83.04975	5.5
83.08622	5.8
85.02901	29.5
85.06542	4.6
86.60416	1.6
91.05474	16.5
91.60742	1.5
93.07047	27.3
95.04956	3.4
95.08608	50.9
97.02885	9.8
97.06536	5.1
97.10180	4.4
98.97611	1.7
99.04485	2.3
99.08079	4.9
105.07030	37.2
107.04955	1.7
107.08589	41.2
107.09277	2.7
109.02864	3.0
109.06513	4.3
109.10162	28.7
111.04451	2.7
111.08077	2.5
115.03939	5.1
115.05442	1.5
117.07006	5.5
119.08575	48.1
121.06531	4.4
121.10148	24.2
123.04344	1.8
123.08038	5.3
123.11707	12.2
123.98502	1.7
125.05989	3.8
125.09631	4.0
127.03954	4.7
129.05501	4.1
129.06995	3.7
131.04953	7.5
131.08557	19.6
133.04953	4.8
133.06447	1.6
133.10126	33.1
135.08112	3.2
135.11694	39.3
137.09625	12.4
137.13258	3.6
139.11194	2.7
142.07800	2.0
142.38560	1.8
143.08565	6.7
144.09331	1.9
145.04953	5.9
145.06543	1.8
145.10092	19.0
147.06621	2.9
147.08044	10.7
147.11673	26.4
149.05963	14.4
149.09639	3.4
149.13251	10.8
151.07576	7.7
151.11203	5.4
156.09341	2.1
157.10147	6.8
159.08124	2.3
159.11679	12.4
161.09593	3.7
161.13278	11.6
163.11140	2.6
163.14828	11.8
165.09138	9.6
165.12773	2.0
167.07025	2.8
169.10100	3.4
171.11693	5.5
173.13252	20.5
175.11159	4.3
175.14818	9.4
177.16380	4.4
179.14296	3.3
183.11697	3.5
185.13278	3.3
187.11234	3.0
187.14795	9.3
189.09152	2.4
189.16374	60.0
191.10638	2.7
191.14284	3.9
191.17947	9.9
193.15901	7.4
195.11671	1.9
197.13234	2.2
199.14825	3.6
201.12755	6.7
201.16348	6.6
203.14362	1.9
203.17975	6.9
205.12169	2.3
205.15886	3.9
207.17433	100.0
209.13242	3.0
215.10657	1.6
215.17934	6.0
217.15919	2.4
217.19571	3.1
219.13847	24.5
219.17139	1.9
221.15196	2.0
225.07678	1.9
229.19472	2.0
233.19083	3.8
261.14853	1.7
405.31235	2.6
423.31979	7.9
423.36951	3.6
441.24496	2.8
441.33331	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05505	1.0
57.03418	1.3
67.05480	1.7
69.03428	3.2
69.07068	3.0
70.03761	0.4
70.07399	0.5
71.04993	2.4
71.61617	0.7
73.02898	1.8
77.80565	0.3
79.05475	1.5
81.03410	0.7
81.07072	2.9
83.04977	1.0
83.08605	0.6
85.02905	6.6
85.06530	0.5
86.03220	0.4
87.04458	1.0
91.05479	1.2
91.61073	0.4
93.07064	2.5
93.56630	0.4
95.04997	0.4
95.08630	3.4
97.02889	3.3
97.06507	1.0
98.03194	0.7
99.08082	0.4
105.07024	2.4
107.04963	0.7
107.08592	3.0
109.02930	0.3
109.06534	0.5
109.10168	1.9
111.04423	0.7
111.11732	0.4
115.03934	2.9
116.04295	0.5
116.97292	0.4
119.08569	3.8
121.06509	0.4
121.10147	1.7
123.08074	0.6
123.11689	0.9
127.03923	1.4
129.05479	1.1
129.06981	0.6
131.08559	1.4
133.04976	3.0
133.10176	2.6
134.05292	0.9
134.77660	0.4
135.08040	0.5
135.11668	1.8
136.07561	0.6
137.09512	0.4
138.09134	0.5
143.08507	0.9
145.04979	1.6
145.06505	0.4
145.10133	1.7
147.06490	0.5
147.11684	1.5
149.13199	0.5
151.07533	2.0
152.07111	0.7
157.10133	0.8
159.11685	1.5
161.09708	0.6
161.13329	0.8
163.05981	0.5
163.11148	0.4
163.14771	0.6
165.09180	1.2
169.10054	0.5
171.11684	0.7
173.13239	1.5
175.14821	0.8
177.09167	0.6
177.16341	0.4
183.11668	0.5
185.13171	0.7
187.14835	1.0
189.16397	1.5
191.10730	0.9
191.17970	0.5
199.72458	0.4
201.12762	0.6
201.16393	0.5
207.17511	1.5
209.13358	0.4
213.12794	0.4
217.12209	0.4
219.13693	0.7
227.17972	0.5
229.06128	1.1
298.08301	0.4
399.32520	0.4
423.32504	0.9
441.24612	100.0
441.34232	2.6
442.24823	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05507	1.8
57.03433	0.7
57.07054	0.4
65.03933	0.4
67.05497	1.7
69.03419	1.4
69.07074	2.7
71.04985	0.9
71.21741	0.8
79.05489	2.0
81.03416	0.5
81.07055	4.8
83.04965	0.7
83.08620	1.0
85.02904	3.1
87.04452	0.9
91.05472	2.1
93.07040	4.6
94.34096	0.4
95.04968	0.8
95.08610	5.0
97.02895	1.2
97.06544	0.5
97.10147	0.4
98.33555	0.5
98.97588	1.3
99.08130	0.8
99.76725	0.5
105.07024	5.6
107.08595	4.9
109.10146	3.0
115.03967	1.1
116.98582	0.5
117.07027	0.9
119.08582	7.1
121.06522	0.5
121.10122	3.0
123.08098	0.6
123.11705	1.9
127.03934	0.5
129.07060	0.9
131.04903	0.9
131.08568	2.5
133.04977	1.4
133.10133	4.3
134.54364	0.4
135.08058	0.6
135.11711	5.0
137.09605	0.6
137.26593	0.4
138.09186	0.5
139.03824	0.4
143.08562	1.0
145.10103	2.4
147.08070	1.1
147.11690	2.9
149.06018	1.1
149.13255	1.7
151.07585	1.0
154.50677	0.4
157.10159	1.4
158.99658	1.0
159.11685	2.5
161.13216	2.3
163.07582	0.5
163.14854	1.5
165.01834	3.8
165.09138	1.8
165.12790	0.5
169.10138	0.4
171.11729	1.0
173.13191	2.4
175.11201	0.4
175.14812	1.7
177.16399	2.3
185.13275	1.0
187.14856	1.6
189.16382	6.3
191.10626	0.5
191.14165	0.4
193.05043	0.8
198.14822	0.5
201.12782	0.8
201.16403	2.0
203.05295	4.9
203.18010	1.2
207.17427	8.1
215.17917	0.5
217.15904	0.5
217.19525	0.4
219.13808	2.2
220.10458	0.5
221.15302	0.6
227.17746	0.5
229.60976	0.5
237.90489	0.4
247.17061	0.6
253.19437	0.6
261.18195	2.2
279.19196	0.9
395.33395	0.6
423.32800	1.3
441.24615	100.0
441.33224	3.8
442.24850	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	441.2456
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.01859	0.5
55.05505	1.0
57.03418	1.3
67.05480	1.7
69.03428	3.2
69.07068	3.0
70.03761	0.4
70.07399	0.5
71.04993	2.4
71.61617	0.7
73.02898	1.8
77.80565	0.3
79.05475	1.5
81.03410	0.7
81.07072	2.9
83.04977	1.0
83.08605	0.6
85.02905	6.6
85.06530	0.5
86.03220	0.4
87.04458	1.0
91.05479	1.2
91.61073	0.4
93.07064	2.5
93.56630	0.4
95.04997	0.4
95.08630	3.4
97.02889	3.3
97.06507	1.0
98.03194	0.7
99.08082	0.4
105.07024	2.4
107.04963	0.7
107.08592	3.0
109.02930	0.3
109.06534	0.5
109.10168	1.9
111.04423	0.7
111.11732	0.4
115.03934	2.9
116.04295	0.5
116.97292	0.4
119.08569	3.8
121.06509	0.4
121.10147	1.7
123.08074	0.6
123.11689	0.9
127.03923	1.4
129.05479	1.1
129.06981	0.6
131.08559	1.4
133.04976	3.0
133.10176	2.6
134.05292	0.9
134.77660	0.4
135.08040	0.5
135.11668	1.8
136.07561	0.6
137.09512	0.4
138.09134	0.5
143.08507	0.9
145.04979	1.6
145.06505	0.4
145.10133	1.7
147.06490	0.5
147.11684	1.5
149.13199	0.5
151.07533	2.0
152.07111	0.7
157.10133	0.8
159.11685	1.5
161.09708	0.6
161.13329	0.8
163.05981	0.5
163.11148	0.4
163.14771	0.6
165.09180	1.2
169.10054	0.5
171.11684	0.7
173.13239	1.5
175.14821	0.8
177.09167	0.6
177.16341	0.4
183.11668	0.5
185.13171	0.7
187.14835	1.0
189.16397	1.5
191.10730	0.9
191.17970	0.5
199.72458	0.4
201.12762	0.6
201.16393	0.5
207.17511	1.5
209.13358	0.4
213.12794	0.4
217.12209	0.4
219.13693	0.7
227.17972	0.5
229.06128	1.1
298.08301	0.4
399.32520	0.4
423.32504	0.9
441.24612	100.0
441.34232	2.6
442.24823	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.3
56.96566	3.6
57.03434	4.2
65.03953	3.1
65.08826	2.9
69.03426	12.1
69.07069	100.0
71.04993	3.2
71.27997	4.7
73.02921	12.2
79.05502	2.4
81.03418	4.9
85.02889	23.6
86.09679	4.7
91.05488	5.4
93.07068	3.3
95.08652	4.0
97.02877	13.7
98.97575	7.2
103.86888	2.5
105.07011	3.9
109.02788	3.2
110.97542	3.8
111.11721	41.7
115.03975	4.5
127.03931	6.9
128.98589	3.0
129.12772	25.0
133.04927	4.9
133.10135	3.2
137.06013	5.0
138.06372	3.3
145.04971	4.0
147.13799	52.6
150.26088	2.6
240.09436	3.1
441.17368	9.2
441.24707	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1732
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.64289	0.3
51.45636	0.4
55.90787	0.4
56.96552	0.5
57.78524	0.4
69.03423	1.3
69.07062	0.7
69.37212	2.8
69.37626	0.8
71.04993	0.7
78.35376	0.4
81.07067	0.6
83.01092	0.7
83.34364	0.5
85.02898	1.7
87.04459	0.5
90.53870	0.4
93.07056	0.4
95.01073	1.3
95.08594	0.4
96.01887	0.7
97.02874	1.2
98.97579	1.2
100.12441	0.4
107.04968	0.4
107.08591	0.4
111.08059	0.5
112.01355	0.8
113.02113	1.6
123.08035	0.6
126.02870	0.6
126.37870	0.4
127.03880	0.8
131.08528	0.4
145.04959	0.5
163.03874	0.5
167.03207	0.5
173.13190	0.6
184.32961	0.4
185.04195	2.8
185.08156	1.2
191.14325	0.5
201.03746	0.8
204.07703	2.3
223.58931	0.4
243.08693	0.4
247.14442	0.5
252.08578	0.6
279.12253	0.9
290.10150	0.4
297.11801	0.5
441.17297	100.0
442.17874	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08342	1.6
53.03937	2.8
53.76863	1.9
55.05503	5.5
57.03431	5.0
57.07066	2.2
62.90292	1.6
63.64222	1.6
67.05499	6.5
68.99789	2.3
69.03432	13.5
69.07087	9.4
70.06570	3.5
70.57059	1.8
70.73208	4.0
70.73550	2.3
71.04987	8.9
73.02895	4.5
79.05472	5.8
81.03417	7.9
81.07062	18.9
83.04965	5.4
83.08635	3.7
85.02912	24.7
87.00828	2.8
91.05473	6.9
93.07053	13.4
95.04932	2.7
95.08592	14.2
97.02862	6.9
97.06531	2.7
99.04446	3.2
105.01870	1.8
105.07039	14.6
107.08595	14.8
109.02845	6.1
109.06524	5.1
109.10168	11.8
111.04402	2.6
111.08059	2.7
115.03926	5.1
117.06998	2.1
119.08578	18.2
121.10159	11.0
123.08077	4.2
123.11736	4.1
127.03933	14.3
129.05510	4.8
131.08589	6.7
133.04922	2.3
133.06520	2.9
133.10149	10.0
135.08118	2.9
135.11690	7.7
137.05980	2.2
137.09592	6.3
139.11177	3.6
142.07872	2.7
143.08546	4.5
145.04935	3.1
145.10114	10.0
147.06509	3.1
147.08012	3.0
147.11678	8.3
149.09618	2.7
149.13297	4.3
151.07536	4.7
156.09314	1.9
157.10120	5.4
159.11700	10.0
161.09705	2.5
161.13307	5.0
165.09105	9.0
167.91025	1.9
168.09378	2.0
169.10100	3.0
171.11703	5.5
173.09735	2.8
173.13327	3.8
175.11186	2.9
175.14796	7.1
177.12704	2.0
183.11731	2.6
185.13240	5.1
187.14796	2.9
189.12831	4.5
189.16461	4.9
191.10573	3.1
191.14262	2.6
191.17892	2.5
193.15933	4.9
197.13177	2.2
199.14972	1.8
201.12660	2.6
201.16359	1.9
203.05464	1.8
203.10591	2.1
203.14293	8.5
203.59947	1.8
213.04015	2.5
221.11633	2.7
221.15378	2.3
233.15305	2.4
235.13208	2.3
245.06425	3.7
355.17053	9.8
379.26715	2.5
397.18307	34.1
405.18829	3.1
405.27756	2.9
423.28741	4.2
441.17258	100.0
441.24182	6.1
441.34546	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
55.25819	0.6
57.03425	1.2
59.96674	0.6
67.05496	1.3
69.03410	1.6
69.07065	1.2
71.04989	4.5
71.52746	0.9
73.02905	1.8
75.04466	0.6
78.10664	0.6
79.05482	1.0
81.07052	2.4
83.04977	0.9
85.02909	7.8
86.03223	0.7
91.05471	1.3
93.07042	2.5
95.04992	0.8
95.08585	2.3
97.02884	1.7
99.04473	0.6
105.07012	1.6
107.08573	3.2
109.06545	0.7
109.10147	1.9
111.04450	0.9
115.03944	1.4
119.08571	2.6
121.10139	1.7
123.11703	0.6
125.09820	0.6
127.03914	0.6
129.05455	1.7
133.04890	0.9
133.10115	1.9
135.11697	1.8
137.09633	0.7
145.04913	0.8
145.10149	1.4
147.06491	0.9
147.11700	1.4
157.10153	0.9
159.11641	1.4
161.13313	0.6
165.09099	3.3
171.11720	1.0
173.13232	0.7
175.10918	0.7
185.04225	0.7
193.11986	2.8
201.03711	1.0
203.05203	2.4
221.11575	0.9
227.05296	0.9
235.13087	1.0
245.06262	3.4
263.19885	2.4
289.05237	3.5
337.16458	0.8
355.17264	10.0
397.18344	31.8
398.18695	0.8
422.36508	0.6
423.28186	0.7
441.17224	100.0
441.24277	20.5
442.17508	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06140	1.5
55.01874	4.2
55.05503	7.1
57.03434	11.5
61.02924	1.8
65.98918	1.5
67.05502	5.8
69.03442	9.2
69.07064	6.6
69.25969	18.4
71.01336	1.9
71.04999	15.8
73.02924	10.1
75.04475	3.0
79.05489	7.8
81.03401	2.2
81.07058	13.0
83.04998	10.0
83.08606	2.8
85.02905	63.7
87.04471	2.5
91.05463	9.6
93.07056	17.4
95.04978	2.8
95.08609	18.9
97.02898	15.9
97.06527	2.8
99.08092	4.3
103.05438	1.8
105.07025	26.4
107.05001	1.9
107.08599	20.0
107.48724	1.7
109.02913	2.1
109.06535	2.4
109.10183	9.5
111.04450	5.9
113.58474	1.7
115.03908	12.2
117.07032	2.9
119.08580	35.9
120.08855	2.3
121.06593	2.1
121.10168	10.4
123.08032	3.8
123.11686	4.0
125.05975	3.3
127.03916	7.0
129.05502	9.7
131.04944	5.4
131.08566	11.4
133.04974	11.9
133.10121	25.3
135.11679	25.9
137.09659	2.2
142.07797	1.8
143.08588	2.8
145.04958	6.8
145.10117	9.1
147.06554	5.4
147.08014	7.9
147.11697	16.9
149.03374	2.0
149.05968	17.0
149.13264	5.0
151.07556	4.1
151.11162	3.1
159.11708	4.7
161.13243	4.1
163.06062	2.4
163.14832	6.9
165.09119	6.8
171.11749	2.9
173.13306	10.2
175.11223	3.7
175.14867	3.0
185.13237	2.7
187.14780	4.8
189.16379	51.7
201.12750	4.6
201.16257	2.2
207.17445	100.0
219.13829	20.7
225.07529	4.6
362.54324	1.9
405.31711	2.5
410.26205	1.7
423.32513	6.4
441.24927	2.0
441.33820	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.2
57.03433	21.0
59.08168	3.3
61.02910	7.3
64.97063	3.6
67.05485	4.5
69.03419	15.9
69.07045	3.5
70.58458	13.0
71.04996	27.9
73.02901	22.4
75.04496	3.9
77.10433	3.6
81.07057	12.4
83.05014	8.0
85.02911	100.0
87.04446	5.6
95.08619	10.7
97.02912	31.9
98.20798	3.5
105.07005	5.6
107.08566	9.9
109.02914	3.7
109.10151	4.6
111.04435	8.0
115.03904	17.6
119.06162	3.2
119.08591	8.9
127.03918	9.5
129.05492	18.1
129.42932	3.9
130.37210	3.7
131.08607	7.5
133.05000	20.7
133.10143	8.3
135.08165	3.7
135.11636	4.3
145.04968	13.4
147.06511	11.9
147.11700	5.7
157.10130	4.1
163.05952	7.5
189.16396	10.9
207.17479	11.1
225.07651	5.4
226.72552	3.7
243.08614	4.1
259.07935	3.9
279.10791	6.7
306.87195	3.5
441.25671	4.5
441.33545	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	441.1369
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
55.59332	0.4
56.96561	0.8
69.03428	0.5
69.58972	3.0
97.02901	0.5
98.97587	1.7
102.91257	0.5
107.04946	0.6
110.97581	0.8
121.02794	0.4
121.23425	0.5
128.98587	0.6
131.01900	0.5
156.56520	0.5
158.99663	0.6
177.00745	0.5
182.99681	0.5
201.00681	0.5
261.02966	0.5
317.08560	1.1
351.10425	0.5
441.13705	100.0
442.14090	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	440.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28460	2.8
54.36715	2.6
55.01883	2.8
55.05512	22.9
56.05829	3.4
57.03424	4.0
57.07063	5.3
66.18839	2.9
67.05163	4.4
67.05505	59.5
68.05843	15.6
69.03402	3.8
69.07067	26.3
70.07401	8.1
71.04981	4.8
79.05502	19.7
80.05816	7.2
81.03407	11.9
81.07058	53.4
82.07381	12.6
83.08629	18.3
84.08973	7.3
85.02914	15.7
89.39568	2.9
91.05482	21.8
92.05813	8.1
93.07043	39.1
94.07378	10.3
95.04970	6.1
95.08611	74.2
96.08934	25.1
97.02892	4.5
97.10162	8.3
105.07034	36.5
106.07358	10.8
106.94422	3.2
107.08591	58.2
108.08902	20.8
109.10156	74.3
110.10488	21.8
111.08082	4.9
119.08588	56.7
120.08923	31.7
121.10146	45.2
122.10443	19.3
123.11726	21.1
124.12088	6.2
131.08569	11.7
132.08943	4.8
133.10135	48.7
134.10461	24.4
135.11678	31.1
136.12001	16.9
137.13228	9.8
138.13554	4.4
145.10126	10.5
146.10497	6.4
147.11674	47.9
148.12045	26.5
149.09586	3.8
149.13228	19.6
150.13589	9.8
153.09128	9.6
154.09441	5.3
157.09984	5.0
159.11737	8.6
161.13261	21.7
162.13547	16.7
163.14807	11.0
164.15132	8.0
165.09108	5.6
167.10657	7.2
173.11742	3.6
173.13167	5.9
174.12099	3.3
174.13593	7.7
175.11206	4.1
175.14821	11.3
176.11702	3.6
176.15135	10.3
177.16376	9.1
178.16724	7.9
179.10602	5.1
187.14828	6.5
188.15193	5.6
189.16373	44.9
190.16701	42.5
191.16170	3.9
191.17940	77.7
191.19569	5.9
192.18286	62.4
193.12244	8.8
194.12599	4.5
201.16418	12.6
202.16730	14.0
203.17955	100.0
203.19708	6.5
204.18297	98.3
205.19556	16.7
206.19783	17.9
211.13306	11.0
212.13620	8.8
214.16544	3.8
215.17941	5.0
216.18201	5.3
217.19551	9.3
218.19852	9.4
221.18887	7.4
222.19315	6.1
232.17880	4.6
236.17180	7.5
245.22726	4.0
248.17200	6.2
249.18581	15.0
250.18863	18.4
366.52142	3.0
383.75586	3.1
394.35440	12.0
440.27478	21.9
440.36392	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.3
55.05496	8.7
57.03434	17.4
61.02919	18.5
69.03427	34.6
69.07070	55.3
70.85435	3.1
70.85799	6.9
73.02920	85.0
79.05460	3.7
81.03410	5.5
81.07041	3.8
84.82143	2.5
85.02425	5.0
85.02908	100.0
87.04449	3.8
91.03937	3.6
91.05426	3.4
95.08588	3.7
97.02272	3.8
97.02891	60.8
99.04446	4.8
103.03934	3.0
109.02858	11.2
111.11718	25.6
115.03920	29.8
119.08570	3.9
127.03043	4.3
127.03907	37.6
133.04971	29.1
145.04950	45.4
150.07599	3.4
163.06021	20.8
171.02316	2.4
215.80602	2.6
223.05994	4.4
241.07047	11.7
258.23099	2.8
259.08099	8.1
440.23495	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98418	2.9
52.23233	2.6
55.01865	9.1
55.05505	13.1
57.03434	21.2
61.02921	12.5
61.73526	2.9
69.03435	39.7
69.06715	4.7
69.07071	67.3
71.01358	4.2
71.04981	4.2
71.27731	3.9
71.40898	3.1
73.02919	89.0
75.21953	3.3
76.69886	2.4
81.03413	10.4
81.07065	6.4
85.02904	100.0
85.03419	4.8
87.04517	4.7
91.03979	3.2
93.07059	4.2
95.08604	4.8
97.02896	59.6
99.04483	4.9
105.07016	3.6
109.02888	10.8
110.62824	2.9
111.11703	28.5
115.03939	33.6
119.08585	3.3
121.10139	4.0
127.03900	27.1
133.04951	36.0
145.04958	40.1
145.10054	3.9
163.06030	16.6
211.92085	2.8
223.05992	7.4
241.07053	9.2
248.09598	3.1
259.08112	8.6
315.13419	3.5
415.31155	3.3
422.31271	8.1
440.17126	3.2
440.23273	9.6
441.24475	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.3
57.03434	12.4
61.02914	2.9
67.05508	1.6
69.03421	5.5
69.07066	8.3
69.64345	5.0
69.64774	6.1
71.04995	70.4
71.40063	1.5
73.02924	8.3
75.04475	4.5
81.03413	2.7
81.07059	3.4
83.04972	10.1
85.02908	100.0
86.03206	1.4
87.04475	4.7
93.07047	1.9
95.08609	2.6
97.02908	6.0
97.10179	11.3
98.20770	3.0
98.97585	9.2
99.04460	3.6
107.08593	3.4
109.02926	1.7
109.10179	2.7
111.04417	5.3
111.08025	1.6
111.11746	2.3
115.03927	1.9
119.08575	2.3
120.06319	1.4
121.10131	2.5
127.03954	6.0
129.05486	37.7
129.12750	2.9
133.05009	2.0
133.10182	2.3
134.10512	2.2
145.04971	7.1
145.10127	2.8
147.06522	20.5
147.11653	1.9
158.99715	3.0
163.05981	2.2
164.09222	3.2
230.62749	1.6
255.08644	3.3
289.05078	1.9
289.65689	1.6
355.17325	6.2
397.18405	11.8
440.23492	75.5
441.17288	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01869	2.4
55.05506	17.7
55.42466	2.0
56.05828	2.3
57.07069	4.1
65.03962	2.7
67.05499	38.1
69.07063	22.0
69.93274	7.1
69.93688	4.4
70.06583	3.0
71.04971	3.4
79.05486	16.5
81.03388	3.9
81.07052	54.7
82.55373	1.8
83.04932	3.3
83.08620	13.4
85.02888	3.9
88.07610	6.4
91.05470	18.2
93.07046	34.2
95.04961	4.7
95.08604	77.3
96.08913	4.4
97.02896	2.5
97.06531	3.6
97.10168	6.1
102.09166	3.3
105.07037	37.7
107.08592	56.4
108.08929	3.4
109.06542	2.6
109.10149	52.8
110.10501	2.7
111.08121	5.0
117.06998	5.6
119.08583	69.7
120.08893	5.5
121.09299	3.7
121.10138	48.7
122.10468	2.0
122.57101	2.5
123.11705	19.6
129.06996	2.7
131.08545	14.1
132.08852	2.4
133.10135	46.8
134.10457	5.0
135.08022	2.9
135.11688	32.1
137.13245	13.8
143.08542	4.9
145.10164	19.0
146.10417	2.1
147.11693	44.5
149.02347	7.0
149.09627	3.9
149.13261	22.0
150.02689	4.0
150.13539	2.2
151.07483	3.3
151.23067	2.2
153.09071	7.8
157.10126	6.7
159.11711	16.3
160.12033	2.5
161.13297	22.2
163.14795	16.2
165.09126	6.5
165.12746	2.2
167.10681	5.1
169.63821	2.1
171.11665	5.5
172.12259	2.3
173.13257	8.2
175.11148	3.3
175.14861	16.0
176.15071	3.3
177.16364	9.7
179.10912	2.8
179.17926	2.9
185.13274	5.7
187.14812	11.9
189.16376	49.2
190.16670	4.1
191.17943	80.3
192.18309	6.8
193.04926	5.9
193.12234	7.2
194.05309	4.7
199.14845	4.9
201.16391	17.4
202.16690	9.0
203.17963	100.0
204.18213	4.8
205.12378	3.3
205.19571	16.8
207.17572	2.6
207.20171	2.4
211.13226	3.2
213.16321	5.6
215.17912	12.6
216.18324	2.8
217.19531	13.2
221.19000	4.4
227.17912	2.5
228.23244	3.2
229.19525	2.5
229.23535	6.3
231.17400	4.0
231.21048	4.3
235.16895	5.7
237.07535	9.1
238.07988	6.8
241.19536	2.6
245.22572	4.2
247.16835	5.4
249.18481	19.7
259.16840	2.9
261.18439	6.7
393.35202	11.4
421.30719	4.2
439.27548	18.0
439.36203	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34599	1.9
51.54905	1.9
51.91264	2.1
55.05508	14.5
57.07063	7.2
59.49218	1.9
67.05502	19.8
69.07068	22.0
70.93186	4.8
71.08618	2.3
79.05482	11.9
81.07059	64.9
83.08618	9.6
91.05494	10.3
93.07047	25.9
95.08611	100.0
97.10154	6.3
102.84273	2.4
105.07031	26.0
107.08602	40.1
109.10162	46.2
117.07000	2.3
119.08582	44.3
121.10147	28.4
123.11710	33.3
130.13997	2.1
131.08537	8.6
133.10132	35.3
135.11710	22.9
137.13255	34.0
143.08571	2.2
145.10123	12.1
147.11685	28.0
149.13246	17.3
151.14803	2.4
153.09134	4.4
157.10089	5.5
159.11679	7.7
161.13235	17.5
163.14882	10.0
167.10669	3.2
171.11647	6.9
173.13234	7.8
175.14851	13.1
177.16356	6.4
179.17949	6.8
185.13283	5.1
187.14793	8.7
189.16408	43.7
191.17953	69.4
199.14799	4.8
201.16409	9.4
203.17958	81.3
205.19490	14.1
213.16371	7.8
215.17880	12.4
217.12251	2.5
217.19489	9.4
221.19040	5.6
227.17818	2.9
229.19435	2.6
231.17444	2.6
231.21033	3.3
235.16884	3.2
241.19539	6.7
243.21072	8.1
249.18523	17.4
257.22714	2.2
259.16925	7.0
269.22656	6.1
275.34784	2.3
287.20221	2.5
393.35260	17.1
439.19778	3.4
439.36023	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15419	1.6
53.40615	1.4
54.13797	1.5
54.36437	1.7
55.05507	11.5
57.07070	3.3
57.84319	1.6
64.51077	1.7
67.05500	13.5
69.07064	13.4
69.76293	1.6
69.82716	7.7
79.05491	6.9
81.07059	26.5
82.03759	1.5
83.08613	8.8
91.05493	8.3
93.07047	23.5
95.08612	50.0
97.10162	4.8
105.07036	22.1
107.08594	33.8
109.10159	35.7
119.07773	3.4
119.08588	42.6
121.10144	33.0
123.11712	14.7
131.08543	4.3
133.10139	36.3
135.11693	27.8
137.13268	6.9
145.10161	10.0
145.11139	1.9
147.11688	31.1
149.13251	20.4
153.09116	5.0
157.10165	2.3
159.11702	7.2
161.13251	19.8
163.14827	11.6
166.69124	1.9
167.10635	2.4
173.13251	5.2
175.14813	13.3
177.16415	6.7
179.10690	2.3
187.14854	5.8
189.16377	52.3
191.17957	68.1
193.12244	2.6
201.16408	13.0
203.17958	100.0
205.19565	17.4
213.16367	2.2
215.18004	6.9
217.19463	11.9
221.15254	1.8
221.19005	3.6
231.17377	3.9
231.21022	3.1
235.16930	4.8
245.22830	2.6
245.64830	1.8
247.16898	7.3
249.18547	16.7
261.18335	3.1
269.22861	2.0
275.20227	2.2
381.72360	1.8
393.35150	8.0
421.34479	2.3
439.36179	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	439.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.1
57.07062	4.9
62.91234	1.1
67.05199	1.6
67.05508	13.4
69.07073	15.9
71.31438	2.5
79.05497	8.4
81.07062	26.7
83.08631	8.4
91.05470	9.6
91.87968	1.0
93.07046	23.8
95.08614	56.3
97.10159	3.5
105.07036	21.8
107.08604	38.7
109.10159	32.3
109.10902	1.3
110.10494	1.0
111.11735	2.1
117.77127	0.9
119.08588	44.2
121.10150	31.0
123.11716	16.4
128.38133	1.0
129.31407	1.1
131.08563	5.1
133.10136	35.9
135.08084	1.3
135.11705	26.1
137.13268	8.7
138.96039	1.0
139.07597	1.6
143.08543	1.3
145.10135	4.5
147.11690	32.0
149.13272	18.8
153.09142	5.5
159.11674	6.2
161.13254	18.2
163.14816	9.0
165.09184	1.2
167.10661	3.4
171.11632	1.5
173.13258	3.1
174.13951	1.5
175.14798	10.7
177.16364	7.1
179.10629	1.3
183.11914	1.4
187.14803	5.0
189.16386	51.7
190.16777	2.0
191.17958	69.9
192.18336	1.7
193.12285	2.0
199.14839	1.8
201.16393	14.0
203.17964	100.0
204.18318	2.1
205.19514	20.1
206.19519	1.2
207.17488	2.4
213.16408	1.6
215.17970	7.1
217.19534	13.2
219.21272	1.2
221.19028	5.7
229.19426	1.8
231.17496	2.5
231.21098	4.9
235.17003	6.4
241.19582	2.6
243.21211	2.0
245.22609	3.9
247.16936	3.4
249.18521	14.0
254.85796	1.1
255.21066	1.8
257.22574	3.4
261.18515	3.1
269.22522	2.3
289.21774	1.9
393.35220	8.2
439.36050	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71850	2.5
55.05515	10.7
57.07069	8.1
61.54425	2.5
67.05514	24.3
69.07073	33.5
69.51232	6.2
69.51653	13.4
71.04997	16.5
77.27737	2.3
79.05490	12.2
81.07061	48.1
83.08616	9.6
89.06083	4.1
91.05500	11.8
93.07054	27.4
95.08609	100.0
95.37959	2.7
97.06553	6.3
97.10172	8.9
99.01908	2.6
99.08103	5.7
105.07030	33.3
107.08595	46.8
109.10155	58.1
111.11726	11.0
111.66180	2.2
115.07581	11.2
117.07059	3.4
119.08600	49.3
121.10150	46.8
123.08122	3.3
123.11717	26.5
131.08571	14.0
133.10147	32.1
135.08122	4.0
135.11688	25.0
137.13246	17.4
143.08630	4.8
145.10121	19.7
147.11685	23.6
149.09657	3.1
149.13286	20.3
157.10127	5.0
159.11734	16.6
161.09641	3.1
161.13274	20.0
163.14857	14.9
167.10660	19.3
171.11708	8.3
173.13210	16.6
175.14867	11.7
177.16409	9.2
183.11751	3.9
185.13289	8.4
187.14836	13.7
189.16280	13.5
191.14264	3.3
191.17982	22.9
193.19507	3.4
197.13367	3.2
199.14819	5.8
201.16377	7.7
203.14395	3.4
203.18019	9.6
205.19572	6.7
211.14810	4.9
213.16309	4.4
215.17976	13.9
217.19537	16.4
219.21082	7.2
221.15437	3.1
227.18037	3.4
229.15768	3.7
229.19524	15.4
231.17488	4.8
231.21078	8.9
239.17867	3.4
243.21165	4.8
245.22653	17.5
247.17058	5.2
255.21086	5.0
258.81842	2.7
261.18570	5.1
275.20108	5.0
309.25092	3.4
311.27283	4.4
323.27475	7.6
324.28513	2.8
325.28870	46.0
326.29483	7.1
329.24753	2.6
395.32980	4.1
403.33664	12.5
421.34653	24.3
439.35889	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.3
57.07072	7.8
62.33408	1.3
67.05505	20.4
69.06766	1.5
69.07070	15.5
69.37403	13.2
79.05498	8.3
81.07056	65.3
82.07420	1.5
83.08600	6.1
88.01580	1.3
91.05466	7.6
93.07047	12.1
95.04935	1.5
95.08607	100.0
97.10162	3.1
98.20752	2.3
105.07041	10.8
107.08584	16.2
108.26716	1.4
109.09457	2.1
109.10160	32.2
111.11719	1.7
117.07074	2.2
119.08594	11.4
121.10128	14.5
123.11715	21.3
131.08566	5.9
133.10132	8.2
135.11682	9.4
137.13255	65.1
143.08543	3.5
145.10106	5.7
147.08043	3.4
147.11647	6.5
148.28596	1.6
149.13272	8.1
151.14806	4.8
157.10118	2.7
159.11707	5.7
161.09605	1.7
161.13300	3.6
163.14851	2.6
165.09085	1.8
171.11632	2.4
171.66524	1.5
173.09552	1.5
173.13240	5.8
175.14799	3.8
177.09016	1.8
177.16452	4.0
179.17603	1.6
183.11749	1.8
187.14822	4.1
189.16428	3.4
191.17940	3.9
193.19481	3.5
197.13243	1.6
199.14825	2.3
201.12943	1.9
201.16353	3.2
205.12282	2.0
205.19522	3.2
215.14412	2.8
215.17897	2.6
217.19464	2.4
219.21057	2.1
231.13846	1.8
233.15295	3.1
241.19543	2.1
243.21056	4.2
245.15363	3.9
247.17003	1.6
255.20993	2.2
259.16861	2.7
271.20508	2.9
287.20062	3.8
289.21524	3.5
301.21628	3.9
315.23340	1.8
329.24649	1.8
386.07065	1.8
386.56400	1.5
421.34509	3.2
439.35913	26.4
440.36044	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06519	1.9
51.06665	1.9
51.88858	1.8
53.03936	2.4
53.55162	2.1
55.05509	20.9
57.03445	3.4
57.07072	4.2
67.05508	64.5
69.07085	18.6
71.04981	3.5
79.05492	17.8
79.39876	1.9
81.03395	14.2
81.07059	44.5
83.04976	6.2
83.08630	17.7
85.02897	10.1
85.06526	3.8
91.05480	17.7
93.07037	25.4
95.04966	9.3
95.08604	55.7
97.10162	5.3
101.17011	2.1
105.07034	35.3
107.08595	39.8
109.06533	3.6
109.10152	64.0
111.08075	6.6
113.81026	2.2
117.06988	2.5
119.08574	53.2
120.08870	3.1
121.10149	38.2
123.11691	16.9
129.06996	2.7
131.08566	6.0
133.09206	3.7
133.10136	40.5
135.11691	28.9
137.09587	3.2
137.13232	8.1
145.10120	9.7
147.11690	37.1
149.13203	18.7
153.09076	6.7
155.10648	5.2
157.10112	4.1
159.11688	9.2
161.13261	20.6
163.14798	11.6
165.09175	2.8
165.12666	3.0
167.10745	4.2
173.11874	4.6
173.13307	6.5
175.11307	3.6
175.14824	15.5
177.16414	7.5
187.14806	5.6
189.16382	52.3
190.16661	3.2
191.17955	72.6
192.18307	2.3
193.12244	16.9
201.16353	14.7
202.16650	4.2
203.17958	100.0
204.18239	2.6
205.19482	16.4
207.17500	3.9
211.13283	15.1
215.17908	6.0
217.19536	9.6
221.19012	6.1
227.17867	2.5
235.16922	4.6
247.16925	7.1
249.18546	17.4
255.20961	3.0
393.34851	9.7
409.78049	2.6
439.27039	24.4
439.36380	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03939	4.3
55.05506	13.8
57.07080	7.0
58.41751	4.2
66.25163	3.6
67.05515	27.0
69.07065	38.2
70.22820	3.8
70.85926	9.2
70.86264	3.3
71.04993	5.8
74.99105	3.6
79.05486	9.0
81.06629	5.5
81.07061	57.1
83.08621	11.0
85.36944	3.9
87.04481	10.1
91.05501	14.6
91.26235	3.2
93.07044	41.1
95.08033	6.8
95.08615	94.9
97.10165	8.3
105.07060	40.9
107.08605	60.3
109.06588	4.9
109.10160	66.7
111.08060	7.1
111.11726	10.8
119.08596	68.8
121.10147	69.1
123.08065	6.6
123.11713	30.8
129.07002	6.4
131.08609	19.6
133.10139	41.5
135.11694	41.2
137.13255	18.1
142.07829	5.0
143.08575	15.1
145.10118	29.9
147.11702	23.5
149.09612	9.5
149.13248	19.4
151.11247	5.0
156.09352	6.4
157.10149	24.5
159.11711	32.0
161.09703	5.2
161.13248	28.1
163.14828	10.4
165.12772	8.9
169.10162	5.6
170.10878	4.0
171.11681	17.0
173.13269	29.8
175.14867	32.8
177.12744	4.9
177.16377	14.2
183.11760	6.3
184.12581	4.2
185.13272	16.7
187.14850	18.9
189.16452	12.7
191.17973	52.4
195.11780	5.1
197.13297	6.9
199.14825	14.7
201.16405	6.3
203.14328	24.6
203.17969	15.1
205.15726	4.4
213.16374	9.6
215.17961	9.4
217.15900	5.9
217.19533	17.5
219.17458	14.8
221.15373	11.3
225.16324	6.1
229.19464	7.6
231.21075	5.8
235.16925	68.8
243.21227	4.3
245.22641	4.8
255.21162	4.9
269.22693	4.0
275.20114	5.3
311.27451	12.8
325.28943	6.7
353.31720	8.6
379.33517	5.6
403.33594	25.2
421.34619	49.8
439.29816	6.4
439.35791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.8
57.07064	5.0
59.55426	1.7
62.55942	1.7
67.05499	13.0
69.07072	13.7
79.05501	12.1
81.06624	3.0
81.07060	27.9
83.08622	9.4
91.05466	11.6
93.07049	28.0
95.08613	63.3
97.10150	4.1
105.07025	26.4
107.08596	44.8
109.10155	35.4
111.08078	2.3
117.07034	1.9
119.08585	44.7
121.10147	36.3
123.11710	14.2
125.09582	2.0
131.08563	2.5
133.10133	37.8
135.11687	23.5
137.13257	7.4
145.10117	5.6
147.11688	34.8
149.13278	18.6
153.09099	7.8
154.02205	1.7
159.11639	6.3
161.13271	17.9
163.14816	12.3
167.10677	4.1
171.11798	2.0
173.13286	3.7
174.13931	1.9
175.14832	11.4
177.16411	6.1
187.14864	2.1
189.16389	38.3
191.17957	80.9
193.12291	3.6
196.90356	1.6
201.16339	10.9
203.17966	100.0
205.19527	23.8
207.17612	3.6
215.17941	5.4
217.19493	12.3
221.18996	2.7
231.17444	2.7
235.16890	5.5
247.16917	5.9
249.18524	18.5
250.18799	2.5
255.21077	2.2
257.22665	2.1
261.18515	3.2
331.43839	1.8
393.35205	8.8
439.35803	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.0
57.07065	4.3
67.05506	14.6
69.07069	15.8
70.10575	10.6
77.30238	2.2
79.05483	11.8
81.07052	30.3
83.08602	8.9
91.05479	11.5
93.07050	28.7
95.08607	65.0
97.10165	6.9
105.07024	27.9
107.08597	50.6
109.10156	41.0
114.38380	2.4
119.08581	54.5
121.10149	44.6
123.11710	17.9
131.08557	5.2
133.10126	44.3
135.11690	31.7
137.13255	7.6
145.10118	10.3
147.11697	32.7
149.13240	20.2
153.09068	6.9
157.10056	4.1
159.11656	5.8
161.13277	17.9
163.14813	16.4
167.10680	2.8
173.13264	5.3
175.14816	17.9
177.16362	11.4
187.14839	5.1
189.16371	53.0
191.17944	85.8
201.16382	11.6
203.17950	100.0
205.19531	22.2
215.17917	5.0
217.15887	3.8
217.19554	13.8
221.18987	5.5
229.19652	2.8
231.21120	5.7
235.16946	6.4
241.19397	3.1
247.16934	5.7
249.18474	17.7
261.18652	3.1
393.35303	11.3
421.34674	2.9
439.35925	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02609	1.7
55.05506	6.2
57.07076	12.5
65.54133	1.9
67.05510	21.3
69.07064	14.8
79.05495	10.5
81.07052	70.3
83.08613	10.7
91.05466	3.3
93.07024	9.2
93.08552	1.7
95.08604	100.0
97.10148	5.2
105.07014	9.0
107.08563	13.3
109.09440	3.3
109.10156	40.9
111.11663	2.0
119.08606	8.5
121.10094	8.5
123.11703	41.8
131.08568	8.0
133.10106	6.7
135.11694	9.0
137.13251	68.9
143.08600	2.7
145.10117	8.2
147.11682	5.4
149.13272	7.4
151.14836	4.8
157.10098	3.8
159.11673	8.0
161.13315	3.7
167.47458	1.8
171.11635	6.3
173.13292	8.7
175.14853	7.0
177.16425	2.7
179.17955	13.0
185.13206	5.7
187.14856	5.7
199.14758	8.9
201.16399	8.7
203.18034	2.8
211.63713	2.0
213.16379	14.8
215.17975	6.7
217.12216	2.0
227.17940	5.7
241.19553	11.3
243.21095	7.1
245.15341	4.1
255.21063	5.9
259.16904	10.5
266.62088	1.9
269.22717	9.8
287.19852	3.2
291.86307	1.7
393.35123	29.8
439.35864	16.5
448.94547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.4
57.07056	4.3
59.85139	1.6
64.97239	1.6
65.03943	2.7
65.24564	1.9
67.05491	10.4
69.07069	16.5
70.93804	4.7
79.05515	8.4
81.07064	22.5
83.08607	7.0
91.05457	7.4
93.07041	18.6
95.08036	3.0
95.08610	46.4
95.22284	1.6
97.10170	3.4
105.07037	22.9
106.24255	1.7
107.08599	33.7
109.10157	29.6
119.07768	3.2
119.08584	39.8
121.10141	27.5
123.11735	13.0
131.08560	3.8
133.10133	32.1
135.11687	24.5
137.13239	5.5
145.10117	6.3
147.11703	28.7
149.13252	15.5
153.09088	6.9
159.11667	4.3
161.13287	17.4
163.14803	9.3
165.09070	2.1
167.10616	2.7
173.13242	2.9
175.14835	10.2
177.16367	7.6
187.14998	1.7
189.16382	35.4
191.17958	68.8
201.16444	8.7
203.17963	100.0
204.18311	2.9
205.19519	16.6
207.17545	2.2
215.17972	5.2
217.19525	8.4
221.15392	2.4
221.18974	2.6
231.21068	3.1
235.16940	4.0
243.20781	2.0
245.22844	1.9
247.16930	3.5
249.18459	18.9
250.18874	1.7
261.18469	1.7
389.85211	2.5
393.35095	6.4
419.86603	1.8
439.35825	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	439.321
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03938	1.7
55.05497	4.9
60.64026	1.0
65.03948	1.1
66.82107	1.1
67.05502	9.6
69.07060	7.6
69.62695	4.8
69.63107	2.3
79.05062	1.3
79.05484	6.6
81.07059	15.9
83.08597	2.4
91.05485	9.1
93.07050	15.4
95.08608	31.1
97.06509	1.7
97.10149	1.7
105.07028	17.8
107.08601	22.1
109.10145	18.7
111.08053	1.7
117.06995	2.2
119.07779	2.1
119.08574	28.9
121.06468	1.3
121.10152	18.2
123.08060	1.7
123.11691	5.5
129.06969	1.6
131.08571	8.4
133.08577	1.6
133.10132	21.8
135.08057	2.2
135.11674	12.0
137.09654	1.7
137.13228	2.0
143.08553	1.8
145.10103	14.2
147.08083	2.6
147.11690	12.0
149.09602	1.8
149.13266	7.3
151.11137	1.4
153.09068	2.0
157.10112	3.3
159.11679	11.2
161.09618	6.5
161.13223	9.0
161.96889	1.2
163.11108	1.5
163.14804	6.9
167.10718	1.4
171.11700	2.4
173.13275	5.2
175.11092	1.8
175.14793	7.6
177.16403	5.9
183.11662	1.2
184.12488	1.6
185.13248	3.4
187.14819	10.7
189.12758	3.6
189.16367	12.6
191.14261	1.5
191.17941	16.9
199.14685	2.9
201.16417	7.6
203.14185	2.0
203.17963	20.4
205.15799	3.5
205.19489	4.9
207.17464	1.3
213.16374	1.4
215.14322	1.9
215.17899	5.0
217.19522	2.9
227.17921	1.2
229.19553	1.8
231.17644	1.2
231.20859	1.2
235.16875	1.9
239.14653	1.2
241.19415	1.4
243.21062	1.3
249.18481	3.9
255.20892	1.1
261.18469	1.4
268.11285	1.1
269.22586	1.2
294.23120	1.2
327.02402	1.3
375.30090	1.5
393.31363	4.8
393.35712	1.3
421.34760	2.0
439.31909	100.0
440.32361	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.1
53.70919	3.2
55.05508	19.6
55.34148	3.3
57.07061	9.2
67.05500	29.8
69.07068	22.9
69.62371	17.1
69.62771	6.7
79.05483	28.0
81.07056	55.5
83.04960	3.4
83.08617	9.8
91.05470	40.5
93.07031	46.8
93.82269	3.0
95.04977	3.6
95.08044	5.4
95.08606	91.5
97.06539	5.1
97.10149	4.5
105.07030	64.7
107.08594	79.8
109.06545	5.5
109.10140	38.4
111.08061	7.5
112.31794	3.1
117.07026	26.4
119.08569	100.0
121.06487	4.7
121.10143	44.3
123.08060	6.6
123.11655	17.0
129.07010	7.7
130.07764	5.3
131.08574	47.4
133.10129	61.7
135.08092	4.4
135.11708	24.4
137.09543	6.0
137.13220	5.4
143.08539	22.7
145.10129	63.4
147.07991	5.4
147.11674	36.3
149.09654	5.3
149.13255	13.2
151.11090	4.6
153.09032	4.3
157.10100	19.1
158.10826	4.2
159.11687	47.9
161.13232	28.1
163.07494	7.2
163.11121	6.1
163.14813	13.9
168.09337	4.9
171.11665	17.5
173.13239	43.1
175.14830	30.0
177.09128	10.9
177.12686	5.9
177.16357	16.7
183.11711	7.7
185.13239	18.0
187.11160	3.9
187.14796	68.8
189.12772	8.5
189.16336	21.1
191.14308	16.6
191.17946	13.6
195.11659	3.7
197.13182	6.0
199.14783	21.8
201.16373	49.7
203.14334	9.3
203.17966	20.2
205.15871	12.1
213.16408	11.1
215.14386	7.0
215.17982	16.6
217.15807	7.7
217.19511	9.7
219.17389	6.3
225.16330	4.3
227.17937	7.3
229.15837	9.0
229.19420	17.6
231.17345	6.1
231.20932	3.7
233.15280	5.2
235.16927	4.4
241.19357	4.0
243.21056	5.6
245.19186	4.1
247.16924	34.5
279.20984	4.1
297.22119	4.0
307.93405	3.7
316.40179	3.8
323.23691	4.9
345.62271	3.6
375.30341	13.3
393.31476	35.9
421.30243	22.7
421.35425	7.8
439.31589	27.3
439.35861	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03932	0.6
55.05502	1.3
55.10897	0.4
57.03429	0.7
61.02940	0.4
67.05514	2.1
69.03416	1.1
69.07073	2.3
70.35930	1.7
71.04965	0.7
73.02934	0.5
79.05491	2.2
81.03425	0.8
81.07060	3.9
83.08617	0.8
85.02912	1.8
85.06518	0.6
91.05495	2.4
93.07052	3.7
95.04978	0.7
95.08605	5.0
97.02876	0.9
97.06530	1.2
98.97566	0.8
99.08069	0.6
103.62571	0.5
105.07027	4.1
107.08596	4.9
109.06527	0.9
109.10171	3.1
111.04395	0.5
111.08037	0.6
113.02170	0.6
113.11669	0.4
116.98514	0.5
117.07010	1.0
119.04857	0.5
119.08594	4.2
121.06458	0.8
121.10178	2.9
123.08054	0.8
123.11720	1.3
127.03851	0.8
128.06253	0.6
131.08577	1.9
133.06570	0.4
133.10126	3.1
135.08083	0.9
135.11642	2.2
137.05994	0.8
137.09648	1.4
143.08548	1.4
145.04987	0.8
145.10106	3.1
147.11667	2.4
149.09660	1.1
149.13283	1.2
151.07623	1.1
157.10167	1.1
159.08037	0.6
159.11664	2.4
161.09671	0.8
161.13321	1.1
163.03902	0.5
163.14870	0.9
165.09129	1.2
165.12686	0.5
169.04802	0.7
169.10161	0.6
171.11690	1.5
173.13271	1.7
175.07509	0.6
175.11185	0.6
175.14891	1.2
177.12921	0.5
183.11768	0.9
185.13281	1.2
187.14917	1.5
189.09062	0.5
189.16428	3.0
191.14299	1.2
191.18033	0.5
197.13243	0.8
199.14850	0.8
201.03711	0.5
201.12915	0.5
201.16499	0.6
203.05305	1.7
203.10657	1.0
203.17996	1.0
207.17488	0.7
211.14822	0.8
213.16472	0.7
215.17999	0.6
217.12305	0.8
217.15970	0.6
225.16374	0.6
231.13824	0.7
257.47760	0.5
259.16791	1.2
277.17792	1.7
367.17499	1.3
369.18750	3.8
375.30298	0.6
393.31494	1.6
421.31027	1.9
439.23080	100.0
439.31470	4.0
440.23346	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	0.8
55.05502	1.9
57.03429	0.7
57.07064	0.7
61.02934	0.4
65.03923	0.7
67.05503	3.3
68.99783	0.7
69.03432	6.2
69.07063	2.3
70.95950	1.0
71.04975	0.5
79.05493	5.7
81.03414	1.6
81.07057	6.4
83.04988	3.1
83.08611	0.8
85.02904	2.7
85.06543	0.5
87.00824	1.3
91.05485	6.3
93.07048	4.8
93.27156	0.4
95.04969	3.7
95.08616	2.3
97.02884	1.1
97.06554	0.8
99.04460	0.5
103.05475	0.5
105.01892	1.0
105.06376	0.6
105.07037	9.1
107.04953	3.5
107.08598	17.7
109.02885	2.1
109.06530	2.8
109.10157	7.9
111.04421	0.6
111.08068	0.7
115.03893	0.7
115.05453	1.7
117.07038	1.8
119.06075	0.5
119.08561	4.3
121.06534	1.9
121.10153	12.9
122.07284	5.6
123.04418	0.4
123.08038	1.4
125.06007	0.6
127.03924	3.4
129.06985	0.6
131.08586	3.3
133.10133	100.0
134.10474	1.1
135.04417	0.6
135.08038	6.8
135.11726	1.9
137.05995	1.2
137.09619	49.9
138.09953	0.5
139.07591	0.5
143.08575	1.1
145.04970	0.5
145.10101	2.0
147.08031	0.9
147.11684	2.2
149.09625	6.3
149.13257	9.3
151.07605	0.4
151.11194	0.7
156.09265	0.5
157.10162	0.6
158.10915	1.2
159.07988	0.5
159.11697	0.7
161.09673	0.6
161.13289	1.4
163.14787	2.4
171.11734	0.8
173.13260	6.2
175.11189	0.7
177.12917	0.5
179.07016	0.5
187.11247	0.6
187.14865	1.0
189.12810	0.7
191.14310	39.6
199.07776	0.4
199.09515	0.5
201.12761	0.9
203.14355	0.6
207.13861	0.6
213.03860	0.5
215.14290	0.9
215.17950	0.5
231.05008	0.5
231.13762	0.7
233.15475	0.4
241.85541	0.4
245.15414	0.8
273.14865	0.8
299.16559	0.6
317.17303	0.4
335.18671	1.2
385.58627	0.4
403.17603	0.8
421.18607	0.7
439.18973	1.2
439.23196	2.3
439.31931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72692	0.6
53.03951	1.3
55.05499	2.4
57.03453	0.8
59.85074	0.8
61.80111	0.7
65.03960	1.0
67.05493	2.8
69.03420	6.2
69.07066	2.4
69.60693	1.4
69.61102	3.3
71.04977	0.8
79.05486	3.9
81.03422	2.1
81.07054	7.1
82.81976	0.6
83.04971	2.1
85.02893	2.3
87.00838	0.9
91.05491	6.0
93.07041	4.9
93.38200	0.6
95.04963	2.6
95.08597	2.8
97.02882	1.5
97.06523	0.7
98.20765	1.2
105.01851	0.8
105.07027	8.8
105.98855	0.6
107.04934	3.8
107.07870	0.9
107.08594	18.4
109.02917	0.9
109.06516	2.0
109.10152	7.7
115.05445	1.4
117.07045	1.4
119.08603	4.7
121.06508	2.4
121.10148	10.3
122.07291	5.9
123.08062	1.4
127.03909	2.4
131.08554	2.4
133.10133	100.0
134.10492	1.4
135.04408	0.8
135.08026	4.8
135.11658	1.4
137.09618	52.7
143.08629	1.3
145.10146	2.0
147.08067	0.7
147.11693	2.6
149.09598	4.8
149.13252	8.1
156.09406	0.8
158.10857	1.1
161.13263	0.8
163.14836	1.6
171.11710	1.0
173.13284	6.1
185.13290	1.1
187.14760	0.7
191.14314	37.4
335.18564	1.0
353.20041	0.8
439.23843	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	437.3628
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
53.03936	3.2
55.05515	28.4
57.03453	2.4
57.07068	11.2
67.05505	26.4
69.07070	38.7
69.60336	18.8
71.04981	2.7
71.08633	5.9
78.41871	2.9
79.05499	16.1
81.07058	43.4
83.04984	25.3
83.08622	21.5
91.05477	17.0
93.07043	29.9
95.04955	4.6
95.08607	56.0
97.06566	3.9
97.10184	10.3
105.07040	23.0
107.08600	33.1
109.06497	14.0
109.10149	26.8
111.08093	6.3
111.11718	4.0
117.06999	3.7
119.08571	29.3
121.10136	24.6
122.90326	2.5
123.08049	8.8
123.11690	14.5
125.06013	2.9
131.08611	9.7
133.10112	19.2
135.08063	8.8
135.11719	11.3
137.05983	44.2
137.09575	4.4
137.13278	8.4
139.07536	8.4
143.08549	8.1
145.10100	22.7
147.11665	13.8
149.09677	4.1
149.13246	10.0
151.07549	9.1
155.07030	3.7
157.10118	8.8
158.10963	3.1
159.11691	22.4
160.08835	2.5
161.09659	6.4
161.13226	12.7
163.11174	5.8
163.14819	6.1
165.09152	5.1
171.11711	7.8
173.13274	9.5
175.11153	3.7
175.14851	8.0
177.12776	3.1
177.16464	6.3
179.10643	4.7
183.11749	3.6
185.13245	8.3
187.11174	3.4
187.14833	8.3
189.12740	6.4
189.16385	11.5
191.17955	8.1
193.12291	4.1
199.14867	5.8
201.16400	13.8
203.17955	8.9
205.12154	3.3
211.14873	3.5
213.16457	6.2
215.14391	4.9
215.17932	4.7
217.19521	4.0
223.14726	3.5
227.18120	2.7
229.19586	4.1
237.16527	3.1
241.19640	3.2
247.17023	3.4
259.88907	2.5
277.21796	3.1
290.48666	2.6
299.19754	3.3
383.33304	3.5
401.34357	35.6
419.35306	100.0
437.34671	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3627
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
52.17185	1.5
55.05296	1.7
55.05513	19.9
56.89569	1.8
57.07084	11.6
67.05225	1.6
67.05507	22.5
69.03432	2.9
69.07071	32.6
71.08624	5.2
74.52708	1.7
78.87598	1.8
79.05486	11.8
81.06580	2.1
81.07059	42.6
83.04975	14.6
83.08622	20.8
85.10165	3.3
88.57523	1.6
91.05473	12.7
92.04913	1.9
92.95214	1.5
93.07046	25.7
95.04950	3.0
95.08608	55.2
97.10174	9.7
105.07027	21.1
107.08588	31.2
109.06508	11.0
109.10153	22.5
111.08088	3.9
111.11728	3.3
117.06989	3.2
119.08586	28.9
121.06516	3.0
121.10146	19.4
123.08070	5.9
123.11692	14.5
125.05966	3.9
125.13253	2.2
129.07025	3.0
131.08601	11.8
133.10162	17.5
135.08052	5.0
135.11714	13.9
137.05986	48.4
137.13258	8.9
139.07550	4.3
142.07802	2.3
143.08557	8.4
145.10092	18.2
147.11682	14.7
149.09610	5.0
149.13225	7.9
151.07526	9.8
151.11215	2.9
155.07072	3.4
155.08492	3.8
157.10120	7.9
159.11670	16.8
161.09619	8.4
161.13284	11.7
163.11220	3.9
163.14780	4.5
165.09106	7.2
165.12852	2.2
167.22813	1.9
169.10136	3.1
171.11760	9.7
173.09605	2.2
173.13287	10.9
175.11168	7.0
175.14777	7.7
177.12784	4.2
177.16388	4.2
179.10672	3.6
183.11674	4.6
185.13245	7.5
187.11209	4.4
187.14844	12.4
189.12778	4.6
189.16417	10.1
191.10550	2.2
191.14281	2.4
191.17921	6.0
192.40523	1.8
193.12300	2.3
197.13248	6.9
199.14806	7.3
201.16393	13.8
203.14342	2.3
203.17952	6.8
207.13760	2.9
211.14731	3.6
213.16351	4.5
215.17903	6.4
217.19380	2.9
219.17413	2.3
227.17853	4.2
229.15913	3.9
239.17833	3.0
241.19475	4.4
247.16779	2.9
253.19444	3.5
255.21031	2.8
261.18497	2.5
263.20108	3.6
267.21085	2.4
269.22595	3.2
277.21597	2.9
283.20471	2.3
287.20224	2.5
299.20078	2.5
383.32947	4.8
391.33496	9.0
395.29376	3.7
401.34238	24.2
419.35257	100.0
420.35510	2.5
437.34586	50.2
438.34482	3.1
457.45123	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01855	6.2
55.05512	30.0
57.03439	2.5
57.06852	1.7
57.07073	18.6
67.05212	1.9
67.05506	21.2
69.03427	3.5
69.07070	27.7
69.63334	13.3
71.04967	3.3
71.08633	11.6
79.05491	13.2
81.07056	32.8
83.04978	33.5
83.08617	15.5
85.06538	2.6
85.10158	5.8
87.43756	1.8
89.06033	3.0
91.05492	10.2
93.07036	23.0
95.04971	3.7
95.08604	47.5
97.02876	3.0
97.06525	6.1
97.10178	10.2
98.20824	2.7
99.04449	3.1
99.77094	1.8
104.21367	2.0
105.07035	18.3
107.04947	7.7
107.08604	28.4
109.06512	8.2
109.10149	28.6
111.04462	2.2
111.08076	4.9
111.11707	4.5
117.07011	4.7
119.08569	20.7
119.97360	2.0
121.06489	7.6
121.10130	20.2
123.08086	3.6
123.11708	13.2
123.54923	1.7
125.05993	13.3
125.09578	3.0
131.08562	16.0
133.10135	17.7
135.04399	3.5
135.08040	7.7
135.11694	14.0
137.05939	3.5
137.09621	4.1
137.13226	5.8
139.07532	4.3
141.05447	4.7
143.08560	5.2
144.09270	2.2
145.10146	20.1
147.11731	9.7
149.05972	3.0
149.09546	6.2
149.13255	18.5
151.07513	3.5
153.05472	16.1
155.07062	2.2
155.08553	2.3
157.10098	6.5
159.11690	14.5
161.09647	2.7
161.13251	7.9
163.07559	2.9
163.11180	3.4
163.14810	4.0
165.09204	2.6
167.07133	2.1
169.10100	3.1
171.06474	2.4
171.11661	5.3
173.09579	3.3
173.13252	8.2
175.11200	5.6
175.14828	6.2
177.12750	3.5
177.16347	3.1
183.11661	2.0
185.13257	4.8
187.11183	3.5
187.14816	10.1
189.12688	3.5
189.16388	7.9
191.10655	3.0
191.14314	6.0
191.17940	3.4
195.10141	3.9
197.13300	3.0
199.14783	2.4
201.12665	2.1
201.16391	12.3
203.14235	3.5
203.17969	5.7
205.12231	5.5
205.15800	4.0
205.19536	4.3
209.11708	3.1
213.12871	3.6
213.16292	3.9
215.17963	4.3
217.15897	2.1
219.13826	4.7
219.17455	2.6
225.16432	2.6
229.15884	2.4
233.15401	5.9
233.18900	2.2
255.21248	3.1
257.18851	2.7
267.21094	2.1
299.19843	2.8
323.27289	1.8
324.28067	2.8
325.25461	2.0
344.75500	2.0
373.34531	3.6
391.33508	2.2
401.34189	25.7
409.34372	2.8
419.35312	35.7
425.44424	1.8
437.20529	3.0
437.34351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3627
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
55.01861	1.0
55.05512	10.7
57.07077	11.6
61.94882	0.8
67.05511	6.9
68.59689	0.8
69.07072	15.6
71.04967	1.4
71.08630	8.1
79.05492	4.0
81.07063	11.9
83.04980	3.6
83.08620	9.6
85.10190	3.5
91.05475	3.8
93.07038	6.1
95.04967	2.0
95.08607	13.7
97.06511	1.9
97.10161	4.2
99.04445	8.3
104.24358	1.0
105.07030	4.5
107.04961	1.0
107.08589	6.0
109.06536	2.1
109.10161	6.5
109.20326	0.8
111.04454	1.6
111.08109	1.8
111.11737	3.5
113.06004	0.9
119.08578	8.0
121.06545	1.2
121.10168	6.4
123.08089	4.4
123.11724	4.7
125.05980	4.7
127.48979	1.1
131.08563	3.3
133.10129	4.1
135.08089	1.3
135.11699	4.7
137.06032	3.2
137.09599	1.2
137.13298	1.0
141.05467	100.0
143.08627	1.1
145.10132	3.6
147.11668	3.6
149.13223	2.5
151.07541	3.1
153.05470	38.7
153.09027	2.0
157.10089	1.6
159.11714	1.2
161.13257	3.0
163.11238	1.1
163.14893	1.4
165.09164	1.2
167.07053	2.2
169.10106	1.0
171.11700	1.0
173.13249	1.4
175.14815	1.9
177.12851	1.0
179.10597	1.3
181.08557	1.1
191.17909	1.5
201.16479	1.9
203.17961	1.4
225.16347	1.1
293.57684	0.9
329.28387	2.1
347.29501	10.8
359.32986	1.5
377.34061	2.4
401.34113	3.8
419.35257	19.1
431.76379	0.9
437.36224	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	437.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	3.0
55.05510	29.0
57.03427	7.0
57.07078	36.5
67.05492	11.0
69.06715	4.5
69.07072	62.4
70.58881	7.6
71.05003	2.7
71.08630	25.1
79.05486	7.1
81.07052	26.3
83.04981	17.1
83.08617	41.2
85.06542	5.0
85.10172	11.5
86.92295	3.0
91.05466	3.6
93.07050	13.1
95.08604	28.9
97.10168	34.3
99.04453	35.1
105.07026	9.1
107.08588	9.5
109.06534	3.7
109.10143	14.7
111.04433	18.9
111.11705	18.1
119.08570	12.6
121.10143	9.4
123.08042	5.3
123.11670	7.3
125.13239	6.2
129.05470	4.1
133.10130	8.1
135.11703	5.5
137.13203	3.3
140.26506	2.5
141.05499	13.8
145.10078	3.3
147.11717	7.9
149.13261	7.1
151.07535	8.8
151.11253	3.0
151.14807	3.0
153.05484	19.2
159.06519	3.0
159.11703	4.6
160.87079	2.2
161.13286	5.8
163.14818	4.1
165.12778	2.6
165.16370	2.5
169.03578	2.9
171.06564	6.4
175.14775	4.4
187.14722	2.9
189.16501	3.9
190.60876	2.7
193.12260	3.2
201.16353	3.4
203.17500	2.6
319.29877	3.9
321.31546	4.0
321.44205	3.0
329.28394	14.3
347.29471	100.0
352.76093	3.5
377.34158	9.4
401.34143	5.5
419.29886	3.8
419.35181	43.9
437.34192	8.0
440.73984	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05507	14.4
57.03431	2.4
57.07070	5.9
65.03927	3.0
67.05505	24.9
69.03423	10.1
69.07065	18.8
73.02902	3.5
79.05495	16.7
81.03388	4.3
81.06636	3.1
81.07058	39.9
83.08626	11.0
85.02907	18.7
85.65234	2.5
86.09724	2.2
87.00848	2.8
87.04472	2.9
91.05473	24.0
93.07040	34.0
95.04958	7.6
95.08606	76.5
97.02884	7.1
97.10134	3.5
98.97570	5.3
99.04501	2.7
105.01839	2.7
105.07034	42.2
107.04972	3.7
107.08593	52.6
108.08897	2.3
109.10162	44.3
109.55373	2.2
110.15744	2.2
116.98590	2.4
117.06984	7.6
119.04901	2.4
119.08585	75.5
121.06488	4.4
121.10139	42.4
123.08070	3.6
123.11681	18.3
125.09650	2.4
127.03863	6.2
129.06989	4.2
131.08551	20.0
133.06523	12.9
133.10130	55.5
135.11702	26.4
136.12010	2.2
137.13315	12.6
137.14256	2.2
143.08533	7.4
145.09019	4.1
145.10117	47.7
147.11693	28.1
149.09587	3.1
149.13300	15.1
151.07549	2.7
153.09050	3.6
153.12750	4.6
154.13055	3.6
157.10127	8.4
159.11714	32.2
161.09663	3.1
161.13243	22.9
163.07542	6.4
163.14868	12.2
165.09164	4.3
167.07054	4.5
168.07347	2.3
171.11673	7.6
173.13260	17.2
175.14847	20.1
177.09132	4.4
177.16342	10.7
179.10687	3.3
181.04906	2.8
183.11658	4.4
185.13310	6.8
187.14856	21.2
189.09186	2.8
189.12773	3.4
189.16412	29.7
191.17961	50.0
193.08620	4.8
193.12357	2.6
195.11665	3.3
197.13191	6.8
199.14854	9.4
201.16385	100.0
203.17947	30.0
205.19405	3.3
207.13840	2.4
211.06898	52.7
211.09572	9.0
211.14819	3.9
213.16397	10.3
215.09273	2.8
215.14401	2.9
215.17888	13.5
217.19531	6.8
219.13708	2.9
219.17444	5.0
227.17906	4.6
229.15948	3.3
229.19530	7.2
233.15251	4.7
241.19464	5.7
243.21039	4.4
245.15358	7.1
247.16893	28.5
247.61258	2.5
255.21036	8.5
258.11188	5.1
259.16876	4.2
273.18503	3.8
275.13654	5.9
278.14700	3.8
285.18460	4.0
287.20056	4.3
299.19995	4.3
301.21542	2.5
306.14508	3.5
324.15311	31.7
376.00916	7.3
391.03516	15.9
391.29248	2.4
391.33578	9.0
394.01965	3.3
409.04453	4.5
437.23782	65.5
437.34271	49.1
438.23459	2.5
454.85419	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.05504	13.4
57.07074	3.0
67.05495	17.2
69.07069	19.0
69.37725	5.2
69.38132	16.0
76.48061	2.1
77.65548	2.0
79.05474	11.5
81.07059	34.0
83.08620	6.3
91.05468	11.4
93.07047	24.8
95.08601	58.5
95.35232	2.0
97.10172	3.9
105.07034	41.1
107.08588	42.3
109.06578	2.4
109.10151	27.0
117.06995	7.0
119.08578	71.8
121.10149	29.8
123.11671	12.6
127.07497	2.3
129.07042	2.5
131.08571	22.2
133.10135	44.6
135.11679	20.7
137.13246	8.1
139.07558	2.2
143.08559	4.7
145.10129	39.2
147.11702	24.3
149.13234	14.7
151.07504	3.0
153.09096	2.9
157.10126	6.7
158.10912	2.1
159.11696	33.0
161.13271	16.2
162.25975	2.0
163.07497	2.4
163.14830	7.9
169.10023	2.9
171.11717	5.7
173.13277	19.0
175.14816	22.5
177.09091	4.1
177.16393	7.8
185.13274	3.6
187.14851	15.6
189.16385	32.5
191.17950	44.2
191.19568	3.7
199.14857	10.2
201.16377	100.0
203.17934	29.6
205.19604	4.2
212.15398	2.4
213.16389	12.2
215.17932	8.7
217.19511	6.2
219.13756	3.2
219.17372	4.7
221.15399	3.5
227.17818	5.1
229.15892	3.3
229.19492	6.1
239.18108	3.3
241.19476	3.6
243.21077	3.5
245.15483	5.5
247.16940	24.8
255.21094	6.9
259.16959	5.0
287.20087	3.6
313.21365	3.4
391.33826	12.1
437.34140	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.8
57.07088	3.2
65.15625	1.9
67.03368	1.9
67.05513	18.4
67.88316	2.1
69.07070	16.3
69.48466	14.7
77.08418	2.7
79.05476	12.7
81.07055	45.4
83.08631	6.2
85.56412	2.1
91.05466	11.5
93.07037	22.5
95.08604	83.9
97.10162	4.5
98.21478	2.8
100.18048	1.9
105.07029	25.3
107.08590	38.7
108.45643	2.1
109.10152	33.2
117.06999	4.9
119.08573	43.3
119.09345	4.1
121.10135	32.1
123.11710	18.0
131.08548	14.5
133.10123	28.5
135.11708	15.8
137.13232	10.6
143.08580	7.4
145.10129	47.8
147.11681	20.0
149.13278	21.8
151.14853	6.6
153.09132	3.2
155.08556	2.6
157.10136	7.4
159.11702	18.6
161.13242	13.6
163.14815	9.0
169.10172	7.2
171.11710	14.6
173.13286	17.7
175.14845	22.3
177.16412	12.9
183.11681	4.0
185.13272	7.1
187.14871	12.8
189.16370	22.9
191.17963	9.3
197.13316	3.1
199.14859	6.5
201.16359	29.0
203.17964	20.5
205.19624	2.8
211.14726	5.6
213.16307	10.2
215.17950	13.7
217.12444	2.4
217.19554	8.4
221.15373	4.3
225.16347	4.1
227.18013	4.2
229.19562	6.0
231.17464	3.3
239.17986	7.2
241.19521	12.9
243.21149	6.1
245.15472	3.6
247.17021	8.1
253.19518	6.7
255.21083	4.1
259.16953	4.2
259.20526	3.6
261.18549	2.5
279.21164	3.6
285.18515	7.5
287.20032	5.7
295.24277	10.1
299.20004	4.3
301.21637	3.7
313.21619	4.9
321.25894	2.4
335.27670	2.4
391.33591	23.8
437.34232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07358	2.1
55.05508	9.2
57.07068	4.9
59.95387	2.2
67.05516	11.5
69.07067	14.8
70.22488	10.9
79.05485	6.7
81.07056	31.5
83.08624	7.0
91.05473	9.2
93.07050	25.0
95.08601	48.5
97.10135	4.4
97.93784	2.3
98.21439	2.3
100.14895	2.6
105.06459	2.8
105.07042	27.3
107.08598	37.4
109.10149	29.1
117.07054	3.2
119.07777	3.8
119.08588	51.8
121.10132	28.6
123.11746	15.0
129.07013	2.7
131.08577	21.7
133.10123	38.8
135.11691	21.8
137.13255	9.3
143.08530	3.5
145.10129	34.2
147.11673	21.1
149.13268	14.0
157.10118	7.2
158.23798	2.1
159.11703	24.9
161.13246	16.0
163.07530	4.9
163.14835	7.5
169.10165	2.3
171.11717	3.9
173.13243	17.6
175.14835	17.5
177.09116	2.3
177.16434	9.6
185.13329	5.3
187.14836	9.3
189.16382	26.1
191.17963	54.3
192.94855	2.3
197.13231	4.0
199.14893	11.5
201.16388	100.0
202.16660	2.5
203.17973	26.4
205.12297	2.9
205.19559	7.3
211.14717	2.4
212.15678	2.7
213.16359	13.0
215.14291	2.6
215.17966	8.4
217.19516	8.2
219.13881	2.7
219.17415	3.6
227.17996	3.4
229.19450	4.0
239.17891	3.7
241.19499	4.8
245.15462	8.0
247.16924	27.8
253.19501	3.0
255.21104	6.7
259.16940	6.0
269.22855	2.6
285.18460	3.3
287.20114	5.0
299.19995	3.8
391.33548	15.7
420.82578	2.6
437.28085	3.1
437.34140	61.0
438.34619	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39295	2.6
55.05507	16.5
57.07073	7.8
67.05508	15.5
69.07072	14.5
69.64562	14.5
79.05502	10.6
81.07066	32.5
82.45654	2.6
83.08629	9.7
91.05482	12.5
93.07034	21.1
95.08607	52.6
97.10171	3.5
105.07030	32.0
107.08598	42.0
109.10166	28.7
117.07045	5.3
119.08582	60.5
121.10149	34.3
123.11699	14.0
129.06958	3.2
131.08578	19.2
133.10138	31.3
135.11697	20.0
137.13278	14.2
143.08516	6.7
145.10135	40.8
146.21826	2.6
147.11696	23.7
147.31323	2.5
149.13251	15.5
151.07545	2.6
157.10132	6.7
159.11694	30.6
161.13263	12.5
163.07552	7.5
163.14842	10.7
171.11641	6.8
173.13275	19.2
174.91908	2.5
175.14827	14.9
177.16412	10.8
183.11522	3.4
185.13219	4.7
187.14847	18.5
189.16399	23.4
191.17952	57.3
199.14812	12.7
201.16382	100.0
203.17989	23.0
205.12206	2.7
212.15678	4.1
213.16396	11.3
215.17952	13.6
217.19559	9.2
219.13817	3.3
219.17442	5.0
229.15900	4.8
229.19521	9.3
233.15242	4.9
239.17970	4.6
241.19460	3.6
243.21092	3.9
245.15251	5.1
245.22804	2.9
247.16948	24.6
253.19484	4.7
255.21051	7.3
259.16974	7.3
285.18594	2.6
287.19864	4.1
299.20026	3.6
301.21588	3.0
391.33679	13.7
437.34250	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05495	7.7
56.93303	2.0
57.07067	2.5
67.05497	10.9
69.07065	16.3
69.64269	10.8
79.05480	8.2
81.07056	29.6
83.08612	7.9
91.05470	11.3
93.07041	21.6
95.08606	46.1
97.10156	3.7
98.21454	4.5
105.07011	27.0
107.08591	36.8
109.10132	24.9
117.07006	3.7
119.08578	57.8
121.10136	27.3
123.11700	12.1
131.08578	15.7
133.10126	46.4
135.11694	16.8
137.13245	5.8
143.08502	4.1
145.10121	40.7
145.68790	2.2
147.11679	20.5
149.13239	13.5
157.10109	6.1
159.11687	33.7
161.13260	16.6
163.07558	4.3
163.14812	8.7
169.10101	3.2
171.11697	6.0
173.13242	18.1
175.14864	17.8
177.16400	11.4
181.55185	2.0
183.11678	5.0
185.13264	5.5
187.14790	10.8
189.16370	28.1
191.10619	2.4
191.17950	51.0
197.13251	2.4
199.14807	9.3
201.16377	100.0
203.17926	31.4
205.19551	4.7
213.16347	12.5
215.14203	2.4
215.17931	8.4
217.19473	6.0
219.17432	6.5
219.20984	2.3
221.15352	4.9
227.17969	5.2
229.15976	3.5
229.19473	5.3
233.15347	4.0
243.20970	3.2
245.15395	6.0
247.16948	32.6
253.19495	2.4
255.21048	6.7
259.16812	3.5
269.22647	2.5
273.18347	2.6
285.18649	2.9
391.33511	12.3
437.34134	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03989	1.7
55.05512	10.3
55.81834	1.6
57.07079	3.6
67.05504	16.3
69.07062	19.7
69.59760	3.6
69.60166	11.2
74.47198	1.8
79.00865	2.0
79.05498	8.0
81.07056	38.0
82.45561	1.6
83.08602	6.5
91.05484	12.2
93.07041	23.1
95.04971	1.8
95.08608	52.8
97.10134	2.5
98.21577	1.9
105.07037	25.0
107.08600	42.3
109.10156	29.6
111.08056	2.0
117.07021	4.0
119.08587	40.8
121.10149	29.5
123.11736	10.8
128.12785	1.6
129.07051	2.1
130.46866	1.6
131.08565	14.4
133.10135	32.0
135.11708	20.8
137.13269	4.4
143.08562	7.4
145.10123	23.5
147.11690	22.3
149.13272	19.9
153.09126	2.4
155.08594	3.8
157.10112	10.5
159.11714	26.1
161.13222	13.7
163.14859	8.7
169.10133	4.2
171.11743	5.3
172.70639	2.0
173.13264	16.5
175.14833	22.5
177.16348	10.9
183.11742	7.9
185.13269	7.6
187.14810	10.0
189.16374	25.9
191.17992	6.3
193.15858	1.9
195.11705	2.7
196.12431	2.2
197.13275	5.4
199.14827	5.4
201.16412	23.6
203.17957	19.6
211.14917	4.5
213.16447	8.7
215.17952	25.9
217.19461	3.5
221.15514	2.3
225.16403	5.5
227.18021	5.9
229.19604	6.1
235.17041	2.5
237.16388	2.9
239.18015	7.4
241.19580	5.9
243.21213	4.0
247.17018	4.7
251.18219	1.9
253.19559	5.5
261.18533	5.6
265.19824	2.5
267.21225	5.0
269.22559	2.3
271.17023	2.7
273.18872	2.6
281.22699	5.2
283.24295	2.7
285.18787	3.8
287.20142	4.3
295.24213	10.1
299.20169	4.6
301.21692	3.9
313.21753	2.8
321.25946	4.0
327.23178	4.0
381.27786	4.6
391.33606	43.0
391.38605	2.4
392.34335	2.5
409.34631	3.4
419.33173	2.8
437.34283	100.0
438.34875	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.9
57.07063	5.9
57.59539	2.5
60.41016	2.9
67.05518	19.0
69.07071	21.6
69.51122	16.9
79.05499	13.9
81.07065	42.7
83.08618	13.5
91.05486	12.6
93.07045	32.2
95.08038	4.5
95.08611	69.1
97.10191	4.3
98.20716	3.4
98.97523	2.6
105.07031	33.7
107.08604	50.2
109.10162	37.1
117.07002	3.2
119.07771	5.1
119.08579	60.0
121.10152	37.8
123.11711	17.4
131.08577	22.9
133.10144	38.6
135.11702	25.7
137.13284	20.1
143.08592	6.6
145.10139	50.5
147.11702	24.5
149.13264	15.4
150.85291	2.6
157.10124	8.5
159.11714	34.3
161.13268	19.6
163.07545	5.8
163.14850	11.0
169.10075	4.7
171.11665	10.2
173.13266	29.1
175.14769	14.3
177.16420	8.0
179.10713	3.3
183.11652	3.9
185.13240	7.5
186.14082	5.2
187.14847	19.1
189.16423	19.7
191.10693	5.0
191.17946	55.4
193.12294	3.3
197.13252	3.6
199.14886	13.8
201.16389	100.0
203.17984	23.9
205.19447	4.7
211.97958	2.9
213.16400	12.2
215.14397	3.7
215.17899	7.6
217.19370	4.4
219.13963	4.3
221.15468	2.9
225.16405	3.8
227.17917	3.4
229.19484	6.5
233.15182	4.5
241.19446	7.9
243.20978	3.2
245.15315	8.2
247.16910	20.9
253.19472	5.4
255.21042	5.7
259.16983	6.5
269.22800	3.2
273.18521	3.1
285.18396	5.6
287.20013	5.4
299.19943	5.4
391.33557	15.8
432.74319	2.9
437.34143	65.8
438.34845	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.07067	2.7
64.12916	2.4
67.05509	20.4
69.07082	20.7
70.19650	2.2
70.19976	10.0
79.05491	16.7
81.07058	43.8
83.08604	7.6
85.06582	2.4
91.04956	2.7
91.05489	26.2
93.07058	33.4
95.04958	3.5
95.08039	3.9
95.08608	58.9
97.06496	3.7
97.10162	3.8
98.42304	2.3
105.07037	83.0
107.08593	40.4
108.83829	2.8
109.06516	7.5
109.10157	24.8
111.08090	2.4
115.05379	2.9
117.07018	20.3
119.08588	100.0
121.06448	2.7
121.10143	30.5
123.08064	7.6
123.11693	9.8
129.06969	7.4
131.08589	39.5
133.10135	38.2
135.08066	4.8
135.11687	13.9
137.13261	6.9
139.07518	3.3
141.06981	2.7
142.07764	3.5
143.08580	13.5
144.09305	3.1
145.06532	2.7
145.10118	45.1
147.08069	3.4
147.11670	27.2
149.09636	3.5
149.13245	10.9
151.76204	2.6
155.08511	5.5
156.09322	3.7
157.10143	17.3
158.10909	2.7
159.11713	27.2
161.09662	4.1
161.13254	25.7
163.11209	3.4
163.14806	9.1
169.10097	7.6
171.11690	14.4
173.13257	40.7
175.14841	64.7
177.16341	13.0
182.10982	3.1
183.11671	8.5
185.13316	13.0
187.11153	2.6
187.14845	16.8
189.12730	3.3
189.16406	25.1
191.17944	3.4
195.11711	4.3
197.13213	10.3
199.14818	18.5
201.12743	14.4
201.16376	16.0
203.14362	27.8
203.17928	6.5
205.15787	4.1
211.14864	13.2
213.16354	7.8
215.14293	10.0
215.17992	9.5
217.15839	7.0
217.19818	2.4
219.13757	8.3
219.17279	2.5
221.15376	8.6
223.14827	3.8
225.16328	9.3
227.17963	6.0
229.15681	2.5
229.19482	5.0
233.15410	2.5
235.16914	4.9
239.17870	5.7
241.19496	5.3
245.15569	2.7
247.17000	5.0
249.14832	6.1
253.19730	3.1
255.21088	4.3
259.17004	3.3
265.19678	3.1
267.21149	2.9
276.19156	2.1
277.19702	3.2
281.22534	3.6
283.20709	2.6
287.20029	3.4
367.14029	2.6
373.28918	13.8
391.29819	31.7
391.34039	4.8
391.55862	2.6
419.29056	30.0
437.29425	65.0
437.34760	27.8
438.30457	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	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05510	7.4
57.07041	2.4
57.39820	0.9
65.03925	0.9
67.05497	12.3
67.80327	0.8
69.07072	8.4
69.79060	0.8
70.05444	1.7
70.05839	2.1
71.08623	1.7
79.05501	7.9
81.07059	23.0
83.08641	4.3
84.99079	1.0
91.04979	1.1
91.05476	11.0
93.07045	17.8
95.08614	26.2
95.09209	1.8
97.06505	1.7
97.10129	1.1
105.07027	24.9
107.08592	22.8
109.06463	2.3
109.10152	15.8
111.08055	2.3
115.05337	0.9
117.06950	4.1
119.08580	29.6
121.06528	1.1
121.10135	16.6
123.08013	3.4
123.11727	5.9
125.09541	1.1
128.06206	1.2
129.06934	2.8
131.07712	0.9
131.08560	11.2
133.06413	0.9
133.09259	1.1
133.10139	16.5
135.07971	2.2
135.11665	6.0
137.09608	1.9
137.13164	2.5
141.06898	1.2
142.07683	2.9
143.08556	8.1
145.10124	18.5
146.09464	0.9
147.07994	1.0
147.11674	11.7
149.09561	1.7
149.13219	5.6
151.11130	1.9
151.14737	1.2
153.09004	2.0
155.08408	2.7
156.09236	1.6
157.10124	9.2
159.11696	11.4
160.13712	0.9
161.09521	3.0
161.13229	8.9
163.07433	1.1
163.11122	1.4
163.14728	3.4
169.10034	4.2
170.10831	1.5
171.11662	9.2
173.09505	0.9
173.13275	7.5
175.11057	1.3
175.14821	14.0
177.08975	1.3
177.12662	1.1
177.16287	3.4
179.14287	1.1
182.10709	1.1
183.11646	3.8
185.13213	6.0
187.14798	8.9
189.12720	2.0
189.16370	6.4
191.17987	5.4
197.13109	3.8
199.14819	6.4
201.12601	1.4
201.16356	12.3
203.14191	3.1
203.17990	5.8
209.13162	1.2
211.14670	3.0
213.16451	4.6
215.14284	2.2
215.17816	3.5
217.15775	1.4
217.19408	1.7
219.17377	1.3
221.13338	1.0
223.14732	1.3
225.16197	2.4
227.17801	2.6
229.15720	3.1
235.63530	1.0
239.17804	2.4
241.19366	3.1
243.17267	1.0
245.15234	1.1
247.16869	3.5
251.17816	1.3
253.19408	2.5
255.20943	1.5
267.20932	1.6
279.21094	1.2
294.64200	1.0
295.20413	3.1
303.20816	1.2
391.29596	6.7
419.28662	1.7
419.33664	2.3
437.30099	100.0
438.30350	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	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.06952	0.8
55.05506	3.2
57.07065	1.9
59.61642	0.8
65.03948	0.9
67.05502	11.2
69.07076	6.2
69.59121	4.9
71.08627	1.6
73.45854	0.8
79.05501	7.0
81.07063	16.1
81.07520	1.8
83.08622	3.7
88.46461	0.9
89.78403	0.9
91.05473	10.3
93.07043	15.5
95.04983	1.0
95.08040	1.2
95.08611	18.7
97.06505	2.0
105.07036	18.1
107.08601	16.7
109.06531	2.9
109.10159	13.9
111.08080	1.5
112.45238	0.8
117.07021	3.0
119.08585	28.3
121.06461	1.5
121.10146	11.3
123.08067	2.6
123.11694	3.4
125.09602	0.8
128.06258	1.4
128.23758	0.8
129.06996	1.5
131.08592	8.7
133.10129	13.7
135.08043	2.3
135.11710	7.8
137.09657	2.1
137.13235	1.3
137.63390	0.8
139.07578	0.9
142.07771	2.1
143.08562	8.4
145.10133	17.2
147.08025	1.2
147.11681	8.6
149.09605	1.7
149.13266	4.1
151.11189	1.8
153.09055	1.5
155.08537	3.2
157.10115	8.3
158.10863	1.4
159.08118	1.2
159.11700	9.2
161.09651	2.8
161.13298	6.3
163.14842	2.9
165.12894	0.8
169.10123	3.5
170.10956	1.5
171.11676	8.0
173.09607	1.9
173.13239	9.4
175.11226	1.9
175.14816	18.1
177.12726	1.7
177.16333	0.9
179.08475	1.0
179.10786	1.1
181.10069	1.0
183.11624	4.8
185.13281	7.4
187.11230	3.0
187.14812	6.4
189.12717	1.7
189.16394	7.9
191.14278	1.3
191.17889	1.2
197.13289	2.8
199.14833	7.6
201.12804	1.5
201.16379	5.0
203.14351	2.3
203.17957	1.6
209.13298	1.8
211.14810	3.1
213.16357	6.7
215.14301	3.1
215.17944	2.0
215.37292	0.9
217.15862	2.9
223.14706	1.2
225.16454	2.5
227.17944	3.2
229.15887	23.9
229.19431	1.3
231.17447	9.1
233.15460	1.8
237.16261	1.0
239.17900	2.2
241.19537	3.3
243.17465	3.0
245.15239	1.1
247.16959	1.0
253.19626	1.1
255.21330	1.1
257.19046	2.1
259.16818	1.3
265.19626	1.4
283.20648	3.4
295.20465	2.0
308.25168	1.0
373.28940	1.0
391.29510	5.1
419.33240	3.6
435.38757	1.2
437.29916	100.0
438.30505	5.8
451.48761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.9
57.07073	3.7
64.13134	1.4
67.05496	14.8
69.03415	2.2
69.07064	13.3
69.38429	5.6
69.38853	6.3
71.08626	1.9
79.05506	11.7
81.07055	28.4
83.04996	2.2
83.08617	5.9
91.05486	16.7
93.07051	23.6
95.08609	32.7
97.06550	2.1
97.10124	1.7
105.07029	34.3
107.08589	32.7
109.06538	5.0
109.10155	20.0
117.07020	3.4
119.08588	42.1
121.06566	1.8
121.10153	17.0
123.08064	2.7
123.11672	7.4
129.07014	4.1
131.08565	11.4
133.10133	22.6
135.08067	5.2
135.11694	11.1
136.44098	1.6
137.09612	3.0
137.13257	3.1
143.08566	9.1
144.09285	2.4
145.10103	21.1
147.08000	3.1
147.11682	9.9
147.31979	1.7
149.09590	3.1
149.13231	6.6
151.11168	3.5
155.08527	4.3
156.09328	2.5
157.10141	14.9
159.08026	2.9
159.11699	19.9
159.43381	1.4
161.09645	6.4
161.13243	11.9
163.14816	4.3
163.46599	1.3
169.10208	7.1
171.11696	10.8
173.09601	3.4
173.13216	10.1
175.11229	4.2
175.14828	20.4
177.16348	2.7
183.11714	4.9
185.13249	7.1
187.11183	10.5
187.14801	13.1
189.16373	21.0
191.14372	2.3
191.17934	3.8
195.11809	1.9
197.13248	5.0
199.14897	8.1
201.12820	2.3
201.16408	7.8
203.14323	4.7
203.17929	3.0
205.15912	2.0
207.11787	1.6
209.13376	2.3
211.14824	5.9
213.16435	7.4
215.14304	3.8
215.17908	2.7
217.15891	5.4
221.13217	2.1
223.14819	2.0
225.16391	3.9
227.14284	2.3
227.17828	2.7
229.15875	56.0
229.19356	2.5
230.16267	1.6
231.17468	21.3
233.15332	2.4
237.16446	2.1
241.19514	4.8
243.17451	6.4
243.21274	2.4
245.18991	2.0
247.16951	1.9
253.19594	2.7
255.21101	2.0
257.18933	5.7
269.18948	2.7
283.20502	7.4
285.22015	1.8
295.20612	2.0
297.22418	2.0
373.28714	1.8
391.29932	6.0
419.33356	8.7
437.30420	100.0
437.34720	54.1
438.30643	4.5
445.29556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44691	0.5
51.02377	0.5
53.03924	1.3
55.01858	1.9
55.05501	0.7
57.03409	0.7
62.49392	0.4
64.60827	0.5
65.03937	1.5
67.05482	1.8
69.03423	0.7
69.07053	1.7
70.72544	0.8
70.72891	1.1
72.70451	0.4
75.04437	0.5
75.64918	0.4
77.03961	0.6
78.04681	0.6
79.05486	8.1
81.03440	0.4
81.07056	3.9
83.08574	0.7
85.02881	1.3
86.36517	0.4
91.05482	8.9
93.03376	0.9
93.07050	4.2
94.04192	0.7
95.04961	2.8
95.08609	4.3
97.02892	0.6
97.06499	1.4
102.46849	0.5
103.05470	5.7
105.03373	1.0
105.04503	0.6
105.07033	23.0
107.04955	4.3
107.08596	3.9
108.05733	1.5
109.02867	0.5
109.06516	3.3
109.10147	2.1
111.61809	0.5
114.59495	0.5
115.05463	2.2
117.07011	1.2
118.04157	7.3
119.04949	3.9
119.08578	4.8
120.05703	1.8
121.06511	3.4
121.10151	2.6
122.07261	1.6
123.04395	1.6
123.08070	3.1
123.11682	1.3
124.05185	2.1
125.05981	1.7
125.09613	0.8
131.04933	1.3
131.08578	2.1
132.05696	0.6
133.02864	1.3
133.06493	23.4
133.10124	2.6
134.07307	1.1
135.04401	3.6
135.08075	3.7
135.11696	2.0
137.05978	8.4
143.08591	1.3
145.10120	3.7
146.03627	1.3
147.04385	1.4
147.11703	2.2
148.05193	1.3
149.05983	3.9
149.13228	1.0
150.06764	13.4
151.07562	5.5
152.04767	0.5
153.05453	1.8
155.07036	1.7
157.10120	1.2
159.11681	3.0
159.30609	0.4
161.05989	3.4
161.13268	1.3
163.03896	0.7
163.07523	1.2
163.14877	0.9
165.05515	2.9
165.09120	16.6
166.06213	0.8
167.07037	12.6
168.07709	1.3
171.11696	0.9
173.13286	1.6
175.14853	1.0
177.05458	1.0
177.16379	0.6
178.06198	1.8
179.07025	3.3
180.07867	2.2
181.03362	0.7
181.04965	12.0
181.08589	1.0
182.05460	0.6
183.06671	0.5
185.13368	0.5
187.14812	1.8
189.16370	1.6
190.16743	0.4
191.17943	2.7
193.04938	1.9
193.08604	58.1
194.08897	1.0
197.08090	0.8
199.14845	1.0
201.16360	4.5
202.69826	0.5
203.17978	1.1
205.08614	3.0
207.06465	1.3
208.07285	3.4
209.07973	0.9
211.09650	100.0
212.10109	1.8
213.16347	1.0
217.19553	0.5
225.07591	4.2
226.08334	1.8
234.08281	0.4
247.16960	0.8
297.74091	0.5
346.13440	0.5
391.33820	0.7
437.21921	2.6
437.34586	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	437.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01868	0.9
57.03438	1.3
62.21647	0.7
65.03921	1.9
67.05491	1.9
78.04642	0.9
79.05484	6.4
85.02926	1.2
88.62808	0.8
91.05481	6.6
93.03391	0.8
93.07021	0.9
95.04963	1.2
103.05455	4.9
105.06376	1.7
105.07024	22.6
107.04938	3.4
108.05754	1.2
109.06516	2.5
115.05433	1.9
118.04160	7.4
119.04929	3.6
119.08563	1.0
120.05756	1.3
121.06496	1.5
122.07310	1.7
123.04417	2.0
123.08067	2.9
124.05186	1.4
131.04926	1.0
132.05659	1.6
133.02858	1.2
133.06491	21.6
134.07259	0.9
135.04390	2.8
135.08017	4.5
136.05141	1.1
137.05989	8.0
147.04369	1.4
149.05952	2.6
150.06750	12.4
151.07547	6.0
153.05475	2.1
161.05930	1.9
165.05431	2.4
165.09106	13.7
167.07033	12.4
168.07767	1.3
177.05441	1.3
178.06256	0.9
179.07001	3.1
180.07790	1.7
181.04922	9.9
193.08597	57.3
205.08591	3.6
207.06358	1.2
208.07315	4.0
211.09642	100.0
212.10175	1.7
216.59529	0.8
225.07637	4.1
226.08228	1.9
339.18149	0.9
437.21463	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.4
67.40555	1.1
69.03418	1.7
69.07056	2.0
70.79679	3.2
71.04989	16.4
72.38939	1.3
73.02936	1.0
73.06554	4.0
76.00584	1.2
78.01286	1.0
79.05473	3.1
81.07052	17.6
85.02898	4.1
87.00809	3.3
91.05493	1.5
93.07030	10.9
95.08596	2.7
97.02838	1.3
105.01859	3.7
107.08590	8.9
109.02802	1.4
109.10152	2.3
127.03942	1.9
135.11688	20.5
153.12740	100.0
154.13017	1.7
189.16434	1.2
241.75359	1.2
256.75165	1.1
280.81018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.01855	9.1
55.05493	9.9
57.03427	7.3
57.07080	5.3
61.02914	7.4
62.30301	3.0
67.05506	7.5
67.18902	3.3
68.99799	3.6
69.03435	38.2
69.07081	16.3
71.04993	24.4
71.28063	5.8
73.02892	6.2
79.05482	10.5
81.03419	24.0
81.07053	32.7
83.08602	7.1
85.02416	6.2
85.02905	100.0
87.00841	44.7
87.01345	6.3
91.05465	18.9
93.07042	33.2
95.04939	4.0
95.08598	29.3
96.08955	3.7
97.02891	44.9
97.06546	4.0
99.04456	11.9
105.01859	59.8
105.07041	19.4
106.07369	3.9
106.81918	3.2
107.08589	40.4
109.02862	21.6
109.06484	10.8
109.10165	19.5
110.10477	4.6
111.04425	3.9
115.03886	4.3
117.07000	6.9
119.08584	36.8
120.08890	7.5
121.06535	6.8
121.10154	13.1
123.11717	6.8
124.12038	3.3
127.03926	52.2
129.07045	6.5
131.08569	14.8
133.10107	9.7
134.10490	3.4
135.08093	7.7
135.11708	38.2
136.12035	4.1
137.13275	6.9
143.08554	7.1
145.04921	17.6
145.10146	21.5
146.10413	4.4
147.07999	6.4
147.11658	9.0
149.05949	3.4
149.13213	5.7
151.11108	5.5
153.12743	87.7
153.13933	6.9
155.08453	3.9
158.10445	3.9
159.02890	12.5
159.11688	13.7
160.12053	4.8
161.13243	8.1
165.12743	11.2
167.07060	4.3
171.08073	5.1
173.09605	9.4
173.13272	9.4
175.11234	3.3
176.15128	5.8
177.12759	13.3
186.13461	4.0
188.15182	5.8
189.12819	4.8
189.16368	15.5
190.16689	20.7
191.17981	7.0
192.18329	5.3
195.13824	8.2
199.14799	3.8
200.15189	8.0
202.16740	6.1
210.26140	5.2
215.14169	4.0
231.05014	13.9
233.15280	5.7
243.13786	12.2
249.06131	7.6
254.20036	3.8
261.14944	6.1
279.15817	5.4
347.14828	5.3
365.15894	8.6
383.16870	12.6
390.32489	6.5
401.17859	3.3
418.15442	4.4
436.32901	41.0
445.99734	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97542	0.5
57.03423	2.0
58.61673	0.4
58.77926	0.4
63.35350	0.4
69.03432	5.0
69.57991	2.8
79.05485	0.8
85.02913	4.1
87.04469	4.3
95.04982	0.6
97.02893	4.2
98.20770	0.9
107.04955	100.0
108.05294	1.2
115.03930	6.0
127.77367	0.5
133.04955	6.3
145.04907	0.6
150.07649	2.0
153.43533	0.5
221.07941	0.5
324.57434	0.5
340.28561	0.5
436.13855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.58547	0.4
56.96563	1.0
67.05514	0.3
69.03433	0.9
69.68329	2.1
70.50216	0.4
73.02914	0.5
73.48966	0.4
79.05501	3.9
80.05042	0.8
81.03414	0.6
81.05804	3.1
81.07069	2.6
82.73411	0.5
85.02917	2.3
89.03913	1.4
90.45100	0.4
94.06554	1.1
96.08131	12.0
97.02893	1.6
97.06510	0.8
98.21432	0.9
98.97555	1.0
106.06559	2.5
107.04951	0.7
107.82386	0.4
117.03378	1.2
124.07595	100.0
125.05966	1.2
125.07961	1.0
135.04417	2.0
136.06169	0.7
142.08649	1.4
145.02867	1.5
147.04396	0.6
163.03925	9.0
164.04262	0.7
166.08719	0.5
167.07091	1.9
189.00623	0.5
219.01718	0.7
221.03006	0.9
237.02681	0.8
256.11774	1.0
286.12820	0.6
297.87872	0.5
304.13901	0.7
377.07281	0.7
436.18784	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	435.347
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
52.96590	0.3
55.01838	1.1
55.05507	2.3
56.94065	0.4
57.07041	1.6
57.07288	0.3
67.05511	2.6
69.03402	0.4
69.07059	3.3
69.59988	2.5
71.08600	0.7
79.05464	1.4
81.07065	3.8
83.04964	0.5
83.08585	1.4
85.06516	0.5
85.10158	0.4
91.05447	1.5
93.07053	2.4
95.04953	0.8
95.08612	3.9
97.06513	0.8
97.10170	1.0
99.00784	0.8
99.04446	3.9
105.07037	1.9
107.08597	2.2
109.06479	0.6
109.10165	2.6
111.04440	2.8
119.08594	1.8
121.10123	1.8
123.08089	0.5
123.11718	0.9
125.05994	10.6
125.09638	0.6
131.08554	1.0
131.60278	0.5
131.97749	0.3
133.10150	1.7
135.11685	1.5
137.09605	0.4
137.13219	0.6
141.05469	5.8
143.08595	0.4
145.10127	1.5
147.11703	1.0
149.09682	0.4
149.13249	0.7
153.05469	100.0
154.05804	1.1
157.10129	0.8
159.11696	1.1
161.13292	1.1
163.14853	0.4
167.07056	0.8
171.11696	0.8
173.13235	0.8
175.14929	0.6
177.16370	0.8
183.11668	0.4
185.13278	0.6
187.14819	0.8
189.16310	0.5
195.10141	0.5
195.11746	0.5
197.13356	0.7
201.16313	0.4
203.18138	0.4
207.13765	0.3
209.13396	0.5
215.14349	0.8
257.86987	0.4
283.17249	0.5
373.31052	0.5
399.32828	0.4
417.33707	11.9
418.34335	0.6
435.34872	29.9
436.35062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24(S)-triol-3-one
Peak:m/z	Relative Intensity
53.03955	3.5
55.05513	37.2
57.03428	2.3
57.07079	29.1
59.05004	2.8
59.45071	1.6
67.05512	16.1
68.99806	4.9
69.03394	1.8
69.07069	49.8
71.08632	19.5
79.05492	7.3
81.07062	25.0
83.04977	31.8
83.08620	29.5
83.48432	1.9
85.02903	2.1
85.10200	10.8
89.06043	6.3
91.05473	6.1
93.07053	15.8
95.04980	2.5
95.08617	31.4
97.06551	5.5
97.10171	23.2
99.04422	2.2
105.07020	13.0
107.04977	1.9
107.08592	16.0
109.06534	5.1
109.10158	14.5
111.04495	3.0
111.08062	3.0
111.11756	10.6
119.08572	14.7
121.06503	2.4
121.10135	10.4
122.24451	1.7
123.04430	3.5
123.08100	4.2
123.11712	8.5
123.30336	1.8
124.42142	2.0
125.05988	10.0
125.09657	2.1
125.13277	3.9
127.03918	2.1
130.85936	1.8
131.08565	7.2
133.06454	1.8
133.10167	8.4
135.04391	4.5
135.08069	4.1
135.11681	6.8
137.05942	9.3
137.09589	2.6
137.13255	3.4
139.03931	3.3
141.05499	2.7
143.08525	4.5
145.10150	8.7
147.08095	3.9
147.11702	4.4
149.09630	3.8
149.13278	4.7
151.03902	7.1
151.11140	2.2
153.05505	19.1
157.10150	5.1
159.11690	5.9
161.09666	3.1
161.13254	4.1
163.14890	1.9
167.07043	3.9
169.04950	6.7
169.10081	2.1
171.06544	3.2
171.11662	3.2
173.13283	3.5
175.11203	3.6
175.14832	11.8
177.09164	2.8
179.10695	2.8
181.08578	2.6
181.12320	2.7
183.06609	2.1
185.13345	2.3
187.06036	3.3
187.14833	3.7
189.12787	2.5
189.16426	2.3
193.08661	2.9
193.12263	3.4
195.10104	2.0
199.14838	6.2
201.12790	2.5
201.16364	2.6
203.10611	4.5
205.12303	4.1
207.10159	3.0
209.11705	3.6
213.16524	2.8
219.13727	8.5
221.11774	6.0
227.17969	3.2
233.15489	2.7
245.15367	3.0
259.16937	3.0
269.18872	2.1
273.18497	4.9
277.17908	1.9
287.19940	2.1
343.26315	2.3
347.25760	2.3
361.27545	4.4
371.33017	4.9
375.30536	9.0
379.88663	1.9
381.31506	3.9
389.33911	2.5
399.32523	27.1
417.33606	100.0
435.32971	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	435.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.22835	1.1
55.01869	5.1
55.05509	10.2
57.03428	1.4
57.07077	37.5
61.09542	1.0
61.12221	1.0
67.05507	6.7
68.93749	1.2
69.07072	17.1
70.19936	4.8
71.05005	2.0
71.08635	29.6
77.79016	1.0
78.51765	1.2
79.05498	4.2
81.03439	5.7
81.07048	11.8
81.94739	1.1
83.04974	5.2
83.08621	9.6
85.10183	18.1
89.06039	6.5
91.05464	3.6
93.07030	6.1
95.04977	5.4
95.08613	12.4
97.02892	5.1
97.06538	3.9
97.10183	5.7
98.20725	1.5
99.04443	7.4
99.11752	1.6
105.07038	3.3
105.55641	1.1
107.08595	6.0
109.02862	11.3
109.06506	2.8
109.10158	6.5
111.04481	1.2
111.11745	2.3
113.06022	2.2
114.72305	1.3
115.03909	3.4
119.08577	3.9
121.06496	1.2
121.10127	3.8
123.04447	3.6
123.08076	4.3
123.11736	3.5
125.06005	4.2
127.03918	100.0
131.08566	1.4
133.10109	3.3
135.08072	2.1
135.11713	2.4
137.05911	2.4
137.09616	4.0
141.05467	30.4
142.91437	1.2
147.11717	2.5
151.03896	8.7
151.07573	2.7
151.11195	2.4
153.05478	2.6
155.07033	13.7
157.04951	6.8
157.10104	1.8
159.11697	1.9
161.09608	1.4
161.13306	1.6
165.09113	5.8
165.12695	2.4
168.06689	1.8
169.04968	40.3
169.08650	13.5
179.10651	3.7
179.14250	1.2
183.06548	11.2
183.10123	9.1
193.12280	2.7
193.15865	1.6
197.08134	9.8
197.09659	1.7
197.11772	6.5
203.10727	1.2
203.18024	1.4
207.13814	2.9
211.09662	18.9
211.13348	4.5
225.11250	19.6
225.14809	2.5
239.12776	16.6
239.16470	1.8
249.18535	1.6
253.14340	15.2
253.17041	1.8
253.17896	1.8
267.15964	11.6
281.17484	14.8
281.20480	1.9
295.19101	14.8
309.20673	13.5
323.22137	11.3
337.23703	6.6
337.27347	1.5
340.73294	1.2
351.25507	5.8
365.26691	6.7
379.28363	6.8
391.16522	1.4
399.32428	2.8
417.33447	11.3
435.34747	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03953	4.7
55.05507	12.9
57.07079	5.4
58.36626	1.7
62.02847	1.5
65.03950	5.3
65.26125	1.8
67.05507	19.5
69.03442	7.8
69.03801	1.7
69.07071	21.1
71.21857	1.9
71.22173	3.0
79.05496	19.3
81.03419	2.9
81.07057	42.8
81.07503	3.0
83.08630	6.4
85.02936	6.7
86.19271	1.8
91.05476	23.7
93.03435	2.2
93.07052	36.8
95.04996	5.4
95.08609	59.3
97.02915	2.4
97.06545	5.7
97.10187	2.4
98.97605	2.7
103.05480	2.5
105.04547	2.3
105.07027	43.9
105.07654	2.9
106.04183	6.2
107.04977	10.5
107.08601	47.3
107.09279	3.4
109.06537	4.1
109.10155	31.4
110.03610	2.7
111.04478	2.7
111.08118	2.2
111.11806	2.8
115.05453	4.2
117.06995	10.3
119.08582	80.9
121.06545	7.5
121.10156	29.9
123.04455	3.2
123.08147	3.5
123.11713	12.7
125.06033	6.7
127.03960	5.4
128.06244	3.2
129.07060	5.1
131.04892	2.8
131.08574	28.3
133.06514	2.8
133.10139	38.4
133.11067	3.3
135.08095	3.2
135.11705	16.1
137.06024	4.3
137.09665	2.0
137.13304	8.6
139.07597	2.7
141.07050	3.9
141.71465	1.8
142.07829	5.7
143.08560	16.0
144.05769	1.9
144.09369	4.6
145.06526	5.3
145.10126	55.4
147.08203	1.8
147.11693	31.8
147.12724	2.1
148.05289	2.0
148.24640	1.8
149.06039	6.3
149.13252	11.9
151.07629	3.8
153.09209	3.6
155.08611	6.4
156.09386	5.8
157.06573	2.9
157.10149	26.7
157.11295	2.4
158.10927	3.7
159.11699	41.1
161.06061	5.8
161.13266	25.9
163.07489	8.9
163.14819	10.4
167.07080	29.8
167.08511	2.3
169.08914	1.9
169.10213	8.2
170.11014	3.7
171.06584	3.3
171.11681	18.7
172.05301	3.9
173.06009	3.5
173.13266	22.1
175.07617	3.0
175.14781	22.1
177.05586	6.2
177.16428	8.9
179.07167	2.3
179.08664	2.3
181.04961	47.2
181.06427	3.0
181.08690	3.2
181.10201	2.6
182.05333	2.2
182.11017	2.7
183.11668	9.7
184.12575	3.2
185.13252	15.0
187.07643	5.4
187.14832	23.1
189.09189	3.0
189.16379	74.0
191.10753	2.8
191.17938	13.8
193.10258	3.1
195.11771	6.5
197.13361	8.5
199.14818	31.5
201.16374	40.8
203.17949	18.3
205.08682	2.7
205.12418	3.8
205.19498	2.3
209.08080	13.3
209.13341	4.3
209.70445	2.3
211.14812	11.2
212.15674	3.2
213.16403	18.6
215.18019	8.4
217.15961	3.6
217.19646	4.8
218.05606	2.7
219.13968	4.5
219.17506	2.0
221.08011	2.4
221.13403	2.2
223.14893	3.8
225.16486	6.7
227.14423	2.8
227.18092	8.2
229.19623	8.1
231.13799	2.4
233.08118	23.6
233.15511	2.1
237.16533	6.4
239.18044	5.1
241.19542	3.7
243.21198	7.3
245.15349	10.0
247.14874	2.4
249.02992	2.3
249.16492	3.5
251.09200	2.2
251.18134	4.2
253.19716	6.1
255.21115	14.8
257.15500	2.7
263.09250	3.2
263.18130	2.4
265.19693	3.4
267.21194	3.6
277.19757	2.7
281.10117	2.5
283.17068	2.7
285.18692	4.3
285.25510	2.8
293.22748	2.0
297.18774	4.6
299.20035	3.8
305.22672	3.0
313.21796	1.8
319.24191	2.6
321.25867	2.1
325.21796	2.7
333.25821	2.9
339.23715	2.5
347.27426	3.0
365.25125	2.7
367.11966	3.4
389.28223	2.5
389.32220	19.8
392.27179	2.2
417.15350	14.9
417.31937	3.7
435.20761	8.7
435.32867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03949	2.5
55.05525	14.9
57.07069	11.0
60.76372	3.1
67.05511	14.9
67.81297	2.7
69.07080	22.5
69.34839	17.8
69.35245	6.7
71.04972	2.8
71.08623	5.5
79.05511	14.4
81.07059	35.0
83.04982	2.9
83.08611	10.1
85.06542	3.5
85.10167	4.1
89.06029	7.2
91.05460	13.4
93.07038	32.8
95.04973	2.8
95.08614	45.6
97.06501	5.2
97.10165	4.6
105.07038	38.8
107.08602	43.9
109.06515	6.6
109.10155	19.6
111.11726	3.2
117.07011	7.8
119.08582	56.3
121.10123	18.0
123.08060	4.8
123.11689	10.2
125.05995	3.3
125.09650	2.7
127.03896	4.3
129.06990	3.6
131.08583	21.0
133.08611	4.3
133.10118	30.3
135.11713	6.7
137.13184	3.9
143.08597	16.6
145.10141	28.0
147.11687	15.3
149.13278	5.1
151.07620	2.8
153.05447	8.4
155.08543	5.6
156.09312	3.4
157.10107	18.8
159.11687	18.2
161.13257	15.5
163.14809	14.7
167.10709	2.9
169.10095	5.2
171.11655	10.6
173.13269	19.3
175.14830	62.9
177.09161	2.9
177.16420	7.8
183.11761	6.1
185.09706	3.5
185.13245	8.8
187.14847	13.9
189.16406	6.4
190.24063	3.5
195.11658	2.8
197.13194	7.2
199.14824	26.1
201.12830	3.4
201.16428	21.2
203.17967	9.2
209.13330	5.6
211.14812	4.2
213.16437	13.6
215.14262	3.1
215.17888	6.0
225.16356	4.8
227.17975	8.2
229.19508	4.4
233.15422	6.4
235.16885	4.9
237.16324	4.0
239.18015	4.4
245.96939	2.8
253.19608	7.4
269.22604	3.4
273.18558	4.5
274.16034	3.0
279.21118	12.0
295.24216	4.6
305.22601	5.1
319.23956	3.1
355.26318	4.4
365.24252	3.5
367.26285	4.2
375.30505	72.7
417.33267	14.5
435.32672	100.0
436.32779	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05511	7.4
57.07074	1.6
58.07535	1.1
62.67215	1.0
65.03929	1.6
67.05203	1.4
67.05508	13.4
69.07068	10.5
69.55001	4.5
69.55409	2.4
79.05491	7.5
81.07059	23.7
83.08611	4.0
85.24885	1.1
91.05472	11.0
93.07040	17.5
95.04982	1.5
95.08609	34.1
97.10172	1.1
102.13029	1.0
105.07035	23.9
107.08598	27.5
109.10159	20.3
117.07030	4.1
119.08579	38.3
121.10152	19.5
123.11732	5.2
125.06004	1.2
129.07025	3.1
130.07753	1.4
131.08574	14.8
133.10129	23.8
133.11084	2.0
135.11694	11.3
137.13261	3.0
142.07794	1.9
143.08548	8.4
144.09377	1.6
145.10121	22.1
147.11693	17.3
149.05992	1.5
149.13243	9.1
153.09134	1.8
155.08551	2.3
156.09354	2.6
157.10129	10.2
159.11694	18.2
161.13272	12.6
163.07607	2.8
163.14847	3.9
169.10114	4.0
171.11697	8.5
173.13258	15.5
173.14636	1.2
175.14816	17.3
177.16400	5.8
181.10114	1.7
182.11020	1.4
183.11729	5.3
185.13255	10.7
187.14824	11.7
189.16388	21.7
191.17972	3.9
195.11696	2.3
197.13254	4.3
198.14180	1.2
199.14833	11.5
201.16388	26.5
203.17950	9.8
205.19548	1.2
207.11899	1.3
209.13271	3.3
211.14824	4.8
213.16350	8.6
215.14493	1.1
215.17908	7.7
217.12360	1.7
217.19554	1.1
219.13744	1.3
221.13338	2.2
221.15482	1.4
223.14813	3.5
225.16396	4.7
227.17943	4.3
229.19452	2.5
231.13843	2.2
233.15492	2.6
237.16360	3.7
239.18016	4.0
241.19530	4.1
245.15437	6.0
247.16902	3.4
249.16463	1.8
251.18005	2.4
253.19568	4.7
257.15341	1.7
259.16968	4.8
263.18015	2.1
265.19620	3.0
267.21133	3.7
271.16873	1.3
279.21152	2.4
281.22516	1.8
283.24380	1.3
285.18582	3.0
287.20087	1.2
293.22757	2.4
297.18570	2.5
305.22787	1.7
313.21518	2.4
319.24231	2.2
325.21576	2.3
333.25760	1.6
341.24924	1.6
351.23090	2.2
353.24619	2.9
379.26309	1.3
389.32083	18.8
391.33646	1.5
407.33041	2.4
435.32614	100.0
436.32916	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.34651	1.3
53.03951	1.9
55.05521	8.2
57.07085	2.9
65.03948	1.6
67.05502	12.6
69.07068	14.6
69.38243	9.2
69.38647	2.8
71.08643	1.6
79.05489	8.5
81.07058	25.4
83.08612	7.0
91.05473	11.2
93.07043	20.8
95.08608	39.9
97.10185	4.2
98.21489	2.5
105.07029	29.4
107.08592	26.7
109.10167	19.9
109.10889	2.0
111.08075	1.7
117.06999	3.8
119.08585	49.2
121.10136	18.8
123.11723	7.9
125.05977	1.7
129.06944	1.5
131.08575	21.1
133.10136	21.6
135.11708	13.9
137.13223	6.8
141.06982	1.6
142.07808	1.9
143.08591	9.5
144.09326	3.0
145.10126	26.6
147.11681	20.0
149.06097	1.4
149.13284	8.7
155.08563	3.1
156.09415	2.2
157.10127	14.4
158.10797	2.2
159.11713	25.5
161.13240	15.0
163.07578	4.5
163.14841	6.8
167.07106	2.2
169.10112	6.4
171.11703	11.2
173.13251	16.0
175.11243	1.4
175.14825	15.0
177.16405	6.5
181.04999	2.0
181.10214	2.8
183.11728	8.4
184.12518	1.9
185.13263	15.0
187.14832	15.2
189.09097	1.8
189.16380	47.8
191.17955	11.4
195.11714	3.9
197.13240	5.4
199.14818	20.5
201.16389	27.7
203.17932	15.2
205.19568	1.5
209.08168	2.2
209.13319	4.3
211.14798	6.5
212.15662	1.5
213.16399	12.8
215.17917	7.7
217.12120	1.9
217.19615	2.5
219.13757	2.1
223.14891	3.7
225.16435	4.5
227.14445	1.7
227.17970	5.1
229.15916	1.3
229.19545	2.5
231.13861	4.4
233.15404	2.9
235.14816	1.5
237.16409	4.8
239.18028	5.8
241.19493	2.5
243.13861	2.0
243.21124	4.7
245.15390	7.7
247.16890	2.1
251.18022	2.4
253.19600	4.1
255.21066	10.9
257.15421	1.8
259.16858	3.2
267.21042	2.3
271.20728	1.3
277.19421	1.7
279.21066	2.4
281.22745	1.6
283.16675	1.5
285.18460	6.5
293.22693	2.2
297.18567	3.0
299.20087	2.0
311.20206	2.1
325.21448	1.9
333.25940	1.5
351.96945	1.5
353.24524	1.4
365.24869	1.7
389.31979	17.2
391.33444	2.7
392.15225	1.3
393.28033	1.9
407.33295	2.7
417.31299	1.6
435.32623	100.0
436.32959	1.8
440.23260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.73189	1.3
53.03946	3.1
55.01861	2.5
56.96570	2.0
65.03946	7.7
67.05502	4.5
69.03433	6.9
69.07079	1.4
69.42834	10.9
77.81715	1.2
79.05511	8.7
81.03429	4.7
81.07050	4.6
82.04202	2.8
85.02911	8.2
87.74140	1.1
88.42399	1.6
91.05473	5.0
91.76212	1.0
93.03431	2.3
93.07038	2.7
93.22570	1.2
94.68669	1.1
95.04992	3.6
97.02899	3.3
97.06508	3.1
98.20699	2.2
98.97584	7.2
99.04427	1.8
103.05476	2.1
105.07052	2.8
106.37923	1.3
107.04954	17.1
108.02137	1.6
110.03682	2.8
110.97578	1.7
111.04484	1.4
111.08086	1.4
113.76054	1.2
115.05452	3.4
116.06232	1.6
117.07056	4.1
121.06538	3.0
123.04417	4.2
124.05209	2.7
125.05978	3.0
127.03907	6.0
129.07033	3.4
131.04932	2.1
131.08633	2.5
133.06482	1.9
135.11893	1.6
137.05972	2.6
138.03162	1.7
141.07021	2.6
142.02637	2.4
144.05699	3.4
145.06499	9.6
147.04443	3.5
147.08044	2.3
152.04652	2.5
153.05486	4.4
155.04924	1.6
155.06041	2.4
157.05229	1.3
157.06441	2.3
158.99634	1.7
159.08070	4.3
161.05988	6.5
163.03957	2.1
166.02605	1.3
167.07047	50.9
171.06586	4.1
172.05188	9.6
173.06000	6.3
175.07596	3.0
177.05498	2.2
177.09050	1.5
181.04961	100.0
185.08115	2.3
187.07518	7.2
189.05510	3.9
190.06212	2.7
191.07156	1.5
191.10760	2.8
194.10120	1.5
195.06453	2.8
195.09286	1.6
200.04631	2.8
201.05487	6.7
203.07126	1.6
205.08662	4.7
206.05716	2.4
207.10172	2.0
217.08600	2.1
218.05698	10.5
219.06482	1.3
219.10139	7.1
221.08031	6.4
233.08089	63.5
235.09621	2.1
237.02823	2.6
245.08165	3.4
247.07372	1.3
251.09123	3.5
263.06903	1.6
263.09256	12.0
265.08466	1.7
273.07623	4.2
279.10272	1.6
303.14188	2.0
309.07501	1.3
320.07593	1.4
323.09204	1.3
352.09399	1.7
355.11841	3.2
367.11862	4.8
372.12317	1.7
381.13358	2.2
384.11829	1.5
387.14398	10.2
399.14520	4.4
417.15390	30.8
435.18411	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1649
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03948	1.5
55.01870	1.6
55.31613	1.1
55.77426	1.1
58.18737	1.1
65.03932	7.0
67.05502	3.4
69.03429	3.7
69.62395	7.7
77.03950	1.1
78.04705	1.4
79.05489	8.9
81.03419	3.5
81.07058	1.5
82.04194	4.2
85.02887	5.5
91.05472	4.2
93.03404	4.7
93.07033	0.9
95.04961	3.7
95.08569	1.7
97.06532	1.6
103.05463	2.0
105.04483	1.2
105.07037	1.7
106.04163	4.7
107.04952	17.3
108.02090	1.4
109.10171	1.1
110.03667	4.2
111.04418	1.3
115.05444	4.5
116.06247	1.9
117.07025	6.3
119.08574	2.5
120.26670	1.0
121.06516	5.0
123.04426	4.8
124.05209	3.8
125.05991	4.1
125.55840	1.3
127.03905	3.8
128.06245	1.6
129.06984	2.0
131.04942	2.4
131.08542	2.2
133.06558	2.0
137.05954	2.8
138.03102	2.4
141.07011	1.4
142.02605	2.9
143.08531	1.3
144.05777	2.7
145.06491	8.5
145.10132	1.2
147.04433	2.2
149.06007	6.4
151.03876	1.8
153.05467	3.8
153.09125	1.6
155.04973	1.2
157.06493	4.4
159.08063	3.8
161.06000	6.2
165.05490	1.5
167.05614	2.4
167.07045	48.0
171.06490	3.0
172.05212	12.7
173.05974	6.8
175.07549	3.6
177.05435	3.7
177.09163	1.6
181.04961	100.0
181.08525	3.1
183.06482	1.5
183.11517	1.4
183.74094	1.1
185.06100	1.3
187.07545	8.6
189.05486	3.3
190.06248	1.9
191.06976	1.4
191.10704	2.5
195.06564	1.5
200.04668	5.3
201.05516	5.6
203.07021	1.3
205.08562	6.6
206.05725	2.8
209.08112	6.9
217.08560	1.5
218.05713	7.0
219.06334	1.4
219.10083	5.3
221.07996	8.3
231.06485	1.6
233.08076	66.1
235.07533	1.8
235.09508	2.5
245.08109	2.7
247.07510	1.7
249.09303	1.2
251.09163	4.2
263.06778	1.8
263.09210	14.0
267.51816	1.0
277.08658	1.2
279.10147	2.0
292.07443	1.1
307.09686	1.9
337.10773	1.2
339.12469	1.6
341.10205	1.3
355.11786	2.6
367.11688	4.1
372.11990	2.2
381.13138	2.5
387.14499	7.7
399.14307	4.2
417.15433	35.5
435.32941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.3
69.03428	3.2
71.59962	1.6
71.60374	2.7
85.02913	7.6
88.10072	2.2
97.02895	4.8
116.40141	1.7
118.36223	1.9
127.03939	6.8
135.96974	1.5
143.01907	2.1
155.01877	5.4
183.05063	3.0
185.03055	2.3
203.04002	2.1
245.04997	6.1
255.07294	2.1
264.07617	6.5
305.07300	2.3
337.09964	3.1
351.57254	1.9
435.12637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.15450	0.6
55.05502	0.9
57.03441	5.8
61.02919	2.3
65.03938	1.2
69.36466	3.7
69.36883	1.9
70.06547	0.7
73.02917	14.8
79.05517	0.6
81.03400	0.9
81.07053	0.8
84.08139	1.0
85.02884	1.7
89.99317	0.7
91.05490	0.8
93.07043	1.0
96.95200	0.6
97.02905	0.7
105.07019	1.4
107.04949	1.1
107.08601	0.8
109.02885	0.8
109.10154	0.6
111.00787	1.1
112.67461	0.6
115.03914	0.8
115.05459	0.6
119.08566	1.1
121.02873	0.7
121.10153	0.6
127.03930	1.1
136.07600	1.1
137.02336	3.3
137.05911	0.6
145.10110	1.2
147.04337	1.4
153.01816	4.6
156.04430	1.0
161.05956	0.9
163.03918	1.1
165.01811	2.8
167.07042	1.9
181.04893	3.3
182.08009	0.7
197.39935	0.7
200.07593	0.7
201.05518	1.7
209.08200	0.7
229.04956	5.2
233.08107	2.2
242.98479	0.6
247.05930	0.7
257.04449	3.0
273.12177	2.2
274.04636	0.8
285.03876	1.2
303.04987	100.0
304.05280	2.4
417.15421	1.9
435.19833	2.7
435.32574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.5
57.07073	4.8
57.29204	2.9
59.04996	10.6
67.05514	17.4
68.05844	3.0
69.07073	22.7
69.57190	22.5
79.05492	17.8
81.07056	41.4
83.08620	12.9
85.06554	26.2
86.06864	6.0
91.05476	20.3
93.07047	34.8
95.04963	3.9
95.08611	56.1
97.06511	4.6
97.10163	9.1
98.20751	7.2
100.97477	3.0
102.91674	3.2
105.07048	31.4
107.08601	44.3
109.06504	6.4
109.10172	26.2
110.10484	3.8
111.08102	3.8
117.07014	6.6
119.08578	40.6
119.09358	4.9
120.08891	5.2
121.10162	29.9
123.08067	7.7
123.11710	10.8
125.09587	5.0
131.08580	14.9
133.10127	33.6
134.10542	3.8
135.08041	7.3
135.11705	20.3
137.09621	8.5
137.13281	11.9
139.07535	3.1
143.08578	7.8
145.10150	17.6
147.11699	18.5
149.09641	6.7
149.13269	21.2
151.11206	10.2
152.04686	3.7
153.05493	9.5
156.09340	3.9
157.10066	4.0
158.10606	4.2
159.11708	16.1
161.13251	31.8
163.14816	23.0
166.07973	4.1
169.10066	4.5
171.11642	9.0
173.13284	9.5
175.13533	4.1
175.14771	20.7
177.12689	3.0
177.16370	5.2
179.14308	3.8
181.12228	4.6
185.13274	4.2
187.14812	11.0
189.16405	9.8
195.11789	3.8
195.13710	7.3
199.14720	4.6
201.16400	11.0
203.17990	14.5
215.18037	9.1
217.19572	6.1
223.16917	9.9
227.17792	3.2
229.19604	6.3
235.17003	4.1
236.15182	3.2
243.21213	5.6
249.18481	5.5
311.23499	3.3
342.25433	3.6
363.30441	7.4
381.31491	51.5
399.32617	100.0
417.33746	24.5
434.31219	6.5
434.36249	14.7
435.32602	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	434.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	48.8
56.96566	22.6
57.07057	15.4
67.05495	65.6
69.07072	22.0
69.45556	78.2
71.03933	10.2
75.44636	10.5
77.96054	11.1
79.05489	37.9
81.07059	78.6
83.04974	28.9
83.08591	29.3
91.05464	43.5
93.07051	75.5
95.04969	15.8
95.08612	77.0
96.08930	14.2
98.98486	30.4
105.07021	67.2
107.08598	94.4
108.08930	12.3
109.10155	67.7
111.04439	29.0
111.08075	16.3
117.07063	15.4
119.08575	100.0
121.10162	65.1
123.11707	21.1
131.08549	38.0
133.10118	75.0
135.08038	19.2
135.11676	41.2
137.09647	24.3
143.08589	20.3
145.10121	53.9
147.11661	40.3
149.13297	10.7
157.10146	21.9
159.11739	57.6
161.13287	25.4
163.14847	24.5
165.09119	16.0
169.10120	17.4
171.11650	23.2
173.13264	13.8
175.14836	17.2
183.11684	16.3
185.13257	19.5
187.11229	13.3
187.14700	21.8
189.16379	16.7
197.13203	17.7
199.14857	29.6
201.16403	24.4
211.14780	11.8
215.17938	13.6
219.14085	13.2
253.19527	22.3
275.20093	13.8
299.20071	78.1
317.21124	94.9
336.26245	26.4
349.20413	31.5
367.21457	44.1
393.19543	59.2
434.30710	36.2
435.32260	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.2
56.96559	33.0
57.03429	9.1
62.21571	5.9
66.05632	5.3
67.05491	9.4
69.03436	30.2
69.07067	12.6
69.52833	49.2
71.05016	14.4
72.08157	10.0
81.03413	10.0
81.07040	17.2
84.04502	6.8
84.96025	9.9
85.02905	55.9
86.09678	11.7
87.04444	9.8
89.03917	17.9
91.05464	9.1
93.07041	25.5
95.08595	24.7
97.02892	26.3
98.97585	39.7
103.05473	7.2
105.07019	21.9
107.04927	8.2
107.08581	23.9
109.02882	11.4
109.10169	15.3
110.97565	8.1
116.98634	16.8
117.03355	20.2
117.07006	8.5
119.08572	21.2
121.06498	12.7
121.10138	17.1
123.04414	14.8
127.03908	16.5
127.74465	5.5
131.04964	7.2
131.08554	13.1
133.10136	9.9
133.79956	6.9
135.04425	27.0
135.11694	9.5
137.05904	9.7
139.24475	6.2
141.05244	5.9
143.00166	13.5
143.80246	5.8
145.02829	11.3
145.04945	8.2
145.10168	28.8
147.04355	10.4
158.99634	15.5
159.11682	26.7
161.01225	12.1
163.03914	100.0
163.06140	7.0
163.07503	9.3
164.04204	28.0
167.07036	12.3
170.99553	6.1
173.13245	20.6
175.14914	9.5
177.00757	8.1
179.03427	21.9
181.04900	6.2
182.05196	7.8
189.00700	7.0
191.17909	12.3
195.10271	8.2
201.00670	12.5
201.16414	87.2
219.01747	22.3
219.17450	92.4
233.08055	8.4
237.00681	7.8
237.02829	17.4
237.14787	10.2
237.18381	11.2
246.07042	6.5
255.01814	21.1
273.02817	12.2
273.07568	11.7
287.08145	6.8
434.17474	56.2
435.18311	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	434.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	8.7
67.05495	15.7
69.07066	14.7
71.04974	12.4
71.15045	10.5
72.05871	5.4
78.30208	6.2
79.05473	24.8
81.07064	41.1
83.08591	6.9
85.02921	7.0
85.06540	100.0
86.43464	6.3
91.05472	20.7
93.07046	49.5
95.04973	10.5
95.08621	27.3
97.06506	7.6
97.10149	5.9
99.08098	8.0
105.07019	25.3
107.08562	22.1
109.10141	10.8
112.08214	6.3
114.03751	6.9
117.06992	9.0
119.08571	23.2
119.12801	5.7
121.06521	5.7
121.10136	16.5
123.11667	11.8
131.08527	20.2
133.10139	11.4
135.08098	5.8
145.10088	9.2
147.11693	8.4
149.13275	20.4
159.11694	26.1
167.07033	8.8
167.14326	29.5
167.30457	6.4
169.12280	6.0
173.13205	10.0
181.04945	13.9
209.08142	9.2
219.13795	18.6
222.58606	6.6
237.14848	27.3
349.91574	6.4
417.15359	6.4
434.20529	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05495	1.1
57.03436	11.0
60.40221	0.9
61.02916	1.6
61.41965	0.9
67.73204	1.1
69.03419	2.2
70.86298	1.4
70.86620	1.2
71.04992	74.4
73.02897	3.1
75.04476	4.6
83.04993	6.8
84.47980	1.1
85.02901	100.0
87.04451	3.3
91.05476	24.1
97.02891	5.9
99.04439	1.5
105.07033	1.8
109.02831	0.9
111.04434	5.2
117.07058	1.3
119.98772	1.0
127.03918	5.0
129.05476	42.1
133.06476	2.3
145.04950	4.1
145.06448	1.3
146.08063	2.1
147.06516	22.7
164.09196	7.2
199.31512	0.9
255.08667	1.5
273.09628	1.0
309.11685	1.6
379.62497	0.9
397.48468	1.0
435.18350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
57.03178	1.7
57.03438	22.5
57.66129	1.0
59.04995	3.3
60.04521	2.7
61.02917	4.2
65.30261	1.1
65.68819	1.2
69.03431	78.1
70.26224	3.4
71.01299	1.3
71.05002	1.6
73.02911	6.1
75.04465	1.9
81.03415	3.6
85.02907	88.9
87.04469	55.7
91.03957	1.9
97.02895	64.5
99.04460	3.9
101.02370	1.2
103.03980	1.2
105.07016	10.5
109.02871	5.5
115.03931	95.9
123.04407	2.2
127.03919	16.1
133.04967	100.0
134.05263	1.6
145.04964	31.4
147.08063	3.1
150.07607	13.1
163.06020	13.3
169.04910	1.5
171.08089	1.1
181.04935	3.2
182.05370	1.8
189.09090	3.1
195.43169	1.1
201.09103	4.1
205.07047	1.2
219.10168	1.2
223.05956	1.5
231.10162	1.4
241.07121	2.7
259.08087	4.3
277.09393	2.3
283.57562	1.2
285.13321	3.5
295.10135	3.0
404.14285	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	433.3316
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
51.45832	2.8
54.44894	2.4
54.72780	2.5
55.05497	8.9
59.78374	2.6
65.03942	2.6
67.05502	11.6
69.07056	9.9
71.04982	3.1
71.13047	4.0
79.05492	7.9
79.63808	2.5
80.24897	2.9
81.07059	36.1
83.08599	4.9
85.06522	3.7
91.05479	10.8
93.07056	34.6
95.08030	4.3
95.08610	53.1
97.06500	3.0
97.10180	3.4
99.04443	3.5
101.05985	2.7
104.29831	3.2
105.07036	31.9
107.08599	58.2
109.06499	2.9
109.10169	29.9
117.06995	7.0
119.07798	3.5
119.08588	53.7
121.06478	2.5
121.10155	32.8
123.11702	7.5
131.08557	11.5
133.10141	48.1
135.11705	43.3
137.09624	3.4
137.13278	4.9
145.10136	20.1
147.10616	4.4
147.11690	48.3
149.13274	12.3
151.11215	14.7
153.09160	3.8
157.10175	6.3
159.11697	27.4
161.13306	23.9
163.14841	12.9
165.12730	4.5
169.12109	3.9
171.11694	3.6
173.13319	13.8
175.11105	4.5
175.14807	11.6
177.12697	5.5
177.16432	5.0
179.14281	6.9
185.13271	5.2
187.14844	20.9
189.16396	88.6
191.17877	4.6
195.13832	9.4
199.14761	5.2
201.16415	23.4
202.95880	2.7
203.17969	9.6
203.73222	2.8
207.13702	5.0
207.17447	54.3
209.15327	5.4
215.17970	31.2
221.15352	10.4
221.18973	3.0
229.19577	21.4
233.18997	9.1
235.16908	9.8
243.21175	3.7
247.20482	3.6
249.18326	5.8
261.18591	3.2
275.20047	4.3
397.31067	100.0
415.32379	19.4
433.33234	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.05260	3.3
55.05515	31.8
57.07067	4.1
59.05001	57.3
63.67840	2.6
67.05500	21.3
69.03413	6.2
69.07070	16.3
69.61513	17.2
79.05499	19.8
81.07060	26.8
83.04976	3.7
83.08595	7.6
83.09560	3.1
85.06543	100.0
90.10080	2.9
91.04950	4.7
91.05479	41.2
93.07037	32.5
95.04951	10.1
95.08611	30.6
96.90950	2.5
97.10179	3.5
98.20764	5.0
99.08096	5.5
105.07027	36.6
107.08598	24.7
109.06509	11.7
109.10149	23.9
110.46034	3.5
111.04407	2.8
111.08066	11.7
115.05448	4.8
117.07016	18.8
119.08580	74.1
121.06474	4.3
121.10156	30.8
122.07265	3.2
123.08072	7.2
123.11707	8.6
125.09623	23.6
128.06216	7.4
129.06989	9.4
131.08548	26.8
133.10135	29.5
135.08026	6.7
135.11676	9.6
137.09627	27.4
141.06956	6.2
141.09142	2.9
142.07791	10.9
143.08595	18.1
145.10112	38.5
147.08046	11.3
147.11674	10.5
149.09602	12.5
151.11191	29.8
153.05487	9.2
153.06842	3.2
155.08540	12.1
156.09311	9.4
157.10149	28.1
159.11693	12.8
161.09612	8.2
161.13226	6.2
163.11180	7.8
167.08472	3.3
167.91803	3.3
168.09303	5.2
169.10150	16.6
170.11060	3.5
171.11694	19.6
173.13295	7.1
175.11197	8.6
177.12764	5.7
179.08565	6.4
180.09280	4.4
181.10086	8.0
182.10893	3.2
183.11656	18.4
185.13248	9.1
187.14737	3.9
189.12659	5.7
193.10179	9.3
194.10945	3.2
195.11711	12.2
197.13251	11.7
199.14688	6.0
201.12706	4.7
203.14311	8.5
207.11688	6.5
209.13280	11.7
211.11273	3.4
211.14857	5.2
215.14346	5.1
218.45052	2.6
221.13203	7.1
223.14767	10.3
225.16418	3.7
233.13220	3.5
235.14795	4.7
237.16406	5.3
247.14793	3.0
249.16359	3.3
433.32144	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03937	1.7
55.05125	1.4
55.05491	10.2
57.07063	2.7
58.65042	1.3
65.03938	2.0
67.05503	12.9
69.03422	2.8
69.07067	10.9
79.05483	12.3
81.03423	2.1
81.07062	21.4
83.08621	4.3
85.02883	2.0
91.05470	14.9
93.07050	17.3
95.04977	2.8
95.08601	23.1
97.06544	2.2
105.07028	29.2
107.04919	5.7
107.08588	28.4
109.06464	1.7
109.10153	23.5
110.03629	1.7
117.07006	7.1
119.08578	48.5
121.10146	14.7
123.11702	5.1
125.05975	1.7
128.06206	2.6
129.07018	7.2
130.07756	3.5
131.08566	29.9
133.06546	1.6
133.10118	27.0
134.63165	1.9
135.11681	5.3
136.07584	2.3
137.13252	2.5
141.06932	1.8
142.07770	6.1
143.08542	13.4
144.09322	2.7
145.10123	49.0
147.11687	16.8
149.13220	5.6
151.07594	2.5
153.09073	1.9
155.08557	4.8
156.09361	3.7
157.10127	18.1
158.10913	4.4
159.11687	29.4
160.12305	1.6
161.05957	4.2
161.13252	15.7
163.07535	5.9
164.07072	6.3
167.07002	6.5
167.08369	2.0
169.10124	8.4
170.10895	3.9
171.06516	2.0
171.11681	14.0
172.12347	2.1
173.13287	13.4
175.14832	10.5
177.16341	2.4
181.04985	25.1
181.10139	3.6
182.10904	2.5
183.11696	5.9
184.12326	2.7
185.13239	14.6
187.14818	27.9
189.16388	17.4
193.08606	3.9
193.10170	2.4
195.11703	5.5
197.13284	10.2
198.08781	1.6
199.14819	24.2
201.16380	30.4
203.17955	3.2
209.13286	4.3
211.14769	7.8
213.16371	8.2
215.14331	2.3
215.17972	5.8
219.13858	1.8
221.08113	6.5
221.13196	2.2
223.14821	5.3
225.16376	5.5
227.17851	3.2
231.13783	5.9
235.14931	2.2
237.16452	4.8
239.17981	4.8
241.19522	3.4
245.15404	4.8
249.07579	3.4
253.19525	2.2
257.15500	3.2
265.19534	2.3
267.21085	2.0
277.19470	2.2
279.21188	2.2
281.22610	2.7
291.20987	2.8
317.22757	3.2
321.18414	1.7
323.19943	2.1
325.21484	2.2
345.25732	1.8
349.21832	2.1
351.19119	1.6
351.23190	2.9
363.23196	2.6
387.30447	15.8
389.32080	4.5
403.13800	12.2
405.31894	2.1
415.29373	3.1
433.14886	3.8
433.20917	2.8
433.31018	100.0
434.31256	2.1
439.21027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
50.50777	1.5
55.05504	6.3
57.07066	1.8
59.84586	2.1
64.74873	1.7
67.05505	10.7
69.07072	9.4
69.44805	1.6
77.56008	1.7
78.66842	1.4
79.05497	9.5
81.07065	18.4
83.08615	4.1
90.11248	1.7
90.16780	1.5
91.05483	11.6
93.07051	20.2
95.08016	3.0
95.08603	30.7
97.10199	2.4
98.21556	4.3
105.07029	27.5
107.08592	29.9
109.10155	14.8
117.07003	6.9
119.07777	3.2
119.08584	45.6
121.10143	17.0
123.11738	8.7
128.06229	2.1
129.07001	3.9
130.07811	1.8
131.08574	18.0
133.09200	2.7
133.10132	24.4
135.11703	12.5
137.13278	5.7
142.07776	5.0
143.08563	16.0
144.09302	2.0
145.10133	35.9
147.11674	14.2
148.21841	1.7
149.13245	9.7
153.09039	2.6
155.08559	4.5
156.09372	2.7
157.10127	17.9
158.10973	2.6
159.08002	1.8
159.11703	22.0
161.13242	13.6
163.07506	4.0
163.14841	2.8
165.07085	1.5
167.08574	2.2
169.10141	10.1
170.11018	2.1
171.11696	15.4
173.11888	2.4
173.13252	16.9
175.14824	13.9
177.08904	1.4
177.16405	7.5
181.10141	4.1
182.10910	3.6
183.11665	13.2
184.12448	3.3
185.13260	14.9
187.07503	1.6
187.14818	16.6
189.16374	14.2
191.18027	1.9
193.10086	2.8
195.11707	5.2
196.12442	3.0
196.20712	1.8
197.13330	7.8
199.14833	31.1
201.16359	18.9
203.17979	4.1
205.10271	1.9
206.10979	2.3
207.11783	4.9
209.13281	7.3
211.14774	10.3
213.16382	12.6
215.17943	7.2
219.11699	3.2
221.13261	4.0
223.14842	5.1
225.16443	3.3
227.17827	3.5
231.13727	2.9
235.14725	2.8
237.16437	6.2
238.17061	1.9
239.14531	1.9
239.17950	4.5
241.19579	3.0
243.13858	3.9
245.15358	8.0
249.16331	4.0
251.17967	6.5
253.19516	4.6
255.21198	2.2
257.15408	7.2
263.18088	2.4
265.19717	2.7
267.20871	1.9
271.17096	2.5
291.20947	2.6
295.17108	1.7
297.18423	4.4
331.24313	2.6
345.25510	2.2
349.21436	2.4
359.27399	2.2
387.30508	14.6
389.31885	10.2
390.25745	2.1
405.31473	4.6
433.31055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2585
Annotation	Wortmannilactone B
Peak:m/z	Relative Intensity
55.01871	1.3
55.05519	7.8
57.07085	5.5
67.05505	7.9
69.00822	1.0
69.07076	7.9
71.08633	2.1
71.62423	1.3
79.05505	5.4
81.07072	10.6
83.04954	1.2
83.08598	3.2
85.06570	0.8
91.05490	4.4
93.07055	5.8
95.08622	9.1
97.10223	1.0
99.08105	1.1
100.28920	1.0
105.07030	4.2
107.08595	7.3
109.10193	5.6
111.11676	0.9
117.07005	1.0
119.08604	5.6
121.10148	5.1
123.04382	1.2
123.08176	1.0
123.11723	3.1
125.09525	0.9
127.03896	2.9
131.08577	2.2
133.10117	4.7
135.11687	2.6
137.05994	1.7
137.09636	1.3
137.13185	1.1
139.03873	3.7
143.08588	1.2
145.10149	3.1
147.11739	3.5
149.05855	1.0
149.09599	1.3
151.04033	1.4
153.01822	18.6
153.05406	1.5
157.10043	1.0
158.17294	1.1
159.11719	2.3
161.13312	1.3
169.10167	0.9
171.11693	1.6
173.13286	1.6
175.14868	1.0
179.03406	8.0
183.11789	1.2
185.13228	1.2
189.16486	1.1
191.03360	2.1
191.73941	1.0
192.04164	7.6
193.04909	2.7
199.14813	1.0
205.04964	21.4
206.05620	1.0
219.06589	2.0
275.12845	2.0
289.14340	2.0
290.95624	0.9
303.15887	4.0
317.17514	3.9
331.19019	2.5
345.20679	3.0
387.25314	44.4
388.25592	1.3
397.23755	1.3
397.30997	1.6
405.16220	1.6
415.24802	100.0
416.25018	2.6
433.24918	10.8
433.30710	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	433.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89641	0.5
56.96572	0.6
57.03429	1.7
61.32342	0.5
69.03429	2.2
69.58498	3.6
70.00674	0.5
73.02914	4.5
82.48077	0.5
85.02937	2.8
89.03916	0.8
97.02901	1.8
98.97573	1.8
107.40678	0.5
114.52279	0.5
115.03958	2.7
119.59297	0.5
125.27039	0.6
127.03945	0.9
133.04951	1.1
135.04495	0.6
145.04965	1.8
147.04391	1.6
158.99695	0.6
163.03918	4.9
167.04948	0.8
181.05016	0.6
188.61046	0.5
193.76906	0.6
213.05530	0.8
219.01747	0.6
259.05966	1.3
301.12607	1.8
305.08405	1.1
363.08978	26.1
365.10565	10.4
433.16812	100.0
434.17184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42678	0.4
56.96558	0.9
57.03432	0.9
60.47358	0.4
68.14615	0.4
69.03443	0.6
69.95210	1.7
72.08150	0.5
73.02900	1.3
81.03412	1.0
85.02905	1.7
86.09706	1.0
88.77435	0.4
89.03900	0.5
89.34297	0.4
97.02888	1.4
98.20831	0.5
98.94317	0.4
98.97585	0.9
101.65635	0.4
115.03947	1.0
122.44987	0.4
127.03864	0.8
145.04933	0.6
147.04433	1.3
155.31551	0.4
163.03854	2.5
167.04916	0.4
210.82793	0.4
213.05493	0.6
219.01743	0.5
237.02818	0.5
241.05026	0.5
259.06107	1.0
301.12521	3.0
335.09488	0.5
363.08981	8.2
365.10657	3.8
413.09677	0.5
433.16803	100.0
434.16916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88614	0.4
55.05494	1.4
56.21325	0.5
57.07072	0.9
59.67390	0.6
61.77404	0.5
67.05499	4.0
67.61996	0.5
69.03416	0.7
69.07062	1.8
69.67966	2.8
73.94096	0.6
79.05476	1.4
81.07043	2.4
83.08620	1.2
89.06039	0.6
91.05477	0.8
93.07011	1.4
95.08604	6.9
97.10162	0.7
97.87936	0.5
98.07445	0.7
105.07034	2.2
107.04955	5.5
108.05810	0.6
109.06498	1.3
109.10177	1.4
111.04456	1.2
111.11716	0.8
119.08588	0.6
121.06497	1.7
121.10123	0.8
122.07293	9.3
123.08074	10.1
124.08860	0.9
135.08044	2.7
137.05977	2.1
138.06769	1.6
145.10083	1.0
149.05975	0.7
150.06767	25.6
151.07542	100.0
152.08322	5.8
161.09589	0.5
162.06758	0.5
163.07503	1.0
163.11212	1.2
164.08345	2.7
167.07053	1.4
173.09644	1.7
175.07562	2.2
176.08371	1.4
177.09113	2.1
191.10677	19.0
203.10710	0.6
205.12221	1.8
217.75641	0.6
219.03008	0.6
244.64320	0.5
274.68182	0.6
382.72318	0.5
414.34909	7.7
432.36005	84.7
433.36542	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19462	3.4
54.20366	3.6
55.05503	5.7
56.96552	3.6
57.03431	4.1
59.19210	4.0
61.03352	3.6
62.57541	3.8
65.48875	3.4
67.05508	12.0
69.03439	6.8
69.07076	4.3
69.26707	13.3
69.27130	28.3
70.06586	7.3
72.08149	12.5
73.02911	4.9
77.58818	4.0
81.03417	5.8
84.87495	4.0
85.02900	15.4
86.09718	22.6
87.10043	4.4
91.05450	9.3
93.07011	4.5
95.08602	37.4
97.02882	7.2
98.97577	13.8
105.07023	7.3
107.04907	4.3
107.08580	6.7
109.06561	6.2
110.97548	7.2
112.07642	7.3
113.05968	6.4
116.98657	5.5
119.08588	13.2
121.10194	5.9
123.08052	12.6
124.07604	4.0
128.98654	7.0
131.08510	4.9
133.06593	4.0
133.08612	4.9
135.11714	8.9
137.05981	5.2
140.07074	5.1
147.08057	7.5
147.11670	6.6
149.09624	17.7
158.99731	6.2
161.05992	9.6
161.13264	10.9
163.11148	6.9
171.11624	4.7
175.07571	5.5
181.04919	5.6
182.06941	7.3
189.12721	9.7
207.13792	100.0
213.07780	4.3
221.08041	4.9
235.09624	31.0
239.08551	23.2
253.10739	15.8
280.44955	4.1
346.80789	4.2
425.14716	5.6
432.18134	10.0
432.23410	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	431.3523
Annotation	Stylisterol C
Peak:m/z	Relative Intensity
53.03934	2.0
55.05512	8.0
56.96561	1.0
57.07069	2.5
66.14593	1.1
67.05506	9.7
69.07069	11.1
69.37012	2.4
69.37420	6.9
71.04987	4.1
71.08610	1.0
79.05495	7.2
81.07065	23.9
83.08642	5.3
85.06534	1.5
91.05482	10.8
93.07051	20.5
95.04980	1.6
95.08614	35.1
97.06548	5.8
97.10173	3.8
98.20702	2.3
99.08098	3.8
105.07040	22.9
107.08602	36.7
109.06535	2.2
109.10161	21.9
111.08089	4.2
111.11757	2.1
115.07583	5.0
117.06988	1.7
119.08588	34.3
121.10155	26.9
123.08073	2.9
123.11710	12.9
125.09677	3.2
129.07048	1.1
131.08591	7.6
133.10138	41.5
135.11703	22.5
137.09615	1.6
137.13237	4.9
139.11223	3.2
143.08575	2.5
144.09373	1.4
145.10144	20.5
147.11699	48.2
149.09628	1.6
149.13269	10.8
151.07617	1.3
151.11183	5.5
151.14790	1.1
157.10168	5.7
158.10915	2.2
159.11716	15.3
161.13287	17.1
163.11237	1.7
163.14865	9.5
165.12717	1.9
171.11725	3.8
173.13272	16.7
175.11342	1.4
175.14801	13.5
177.16432	4.4
179.14331	3.1
185.13258	3.2
187.14819	16.8
189.12773	3.1
189.16385	26.0
191.14465	1.2
191.18021	5.8
199.14861	4.5
199.22995	1.1
201.16360	9.5
203.17963	27.1
205.15906	6.2
207.17439	24.0
207.19363	1.6
209.15311	1.7
211.14854	1.9
213.16443	2.9
215.17963	12.9
217.19559	2.5
221.19006	5.4
225.16473	1.9
227.17938	1.3
229.19568	3.8
233.19023	1.8
241.19594	4.1
243.21245	1.5
255.21147	2.3
337.29132	1.7
345.20395	1.1
347.01645	1.0
377.32074	4.3
395.28729	2.0
395.33197	22.4
413.29691	1.7
413.34552	12.0
431.35315	100.0
432.35776	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	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05499	9.1
57.07075	5.0
64.96864	1.0
67.01887	1.2
67.05506	6.8
69.03458	1.2
69.07072	17.1
69.77795	0.9
71.04996	6.9
71.08653	3.4
71.61962	1.1
79.05527	3.8
81.07053	9.8
81.07441	1.0
83.01346	3.1
83.05022	3.2
83.08634	6.7
85.06559	1.0
85.10204	2.3
91.05479	5.5
93.07049	12.0
93.07515	0.9
95.05012	1.9
95.08612	13.9
95.09171	1.5
97.06583	1.1
97.10163	5.2
105.06380	1.0
105.07029	5.8
105.33136	1.0
107.08589	7.3
109.10177	6.1
111.04461	9.7
111.08100	1.3
111.11785	3.5
113.00034	1.7
117.07032	1.1
119.08562	5.7
121.06495	5.2
121.10123	5.9
123.08073	5.0
123.11777	3.7
129.07057	1.1
131.08562	9.6
133.10141	4.7
135.08041	8.1
135.11766	3.8
137.06076	1.2
139.07535	7.2
143.08563	1.5
145.10141	5.0
147.11737	2.4
149.06056	4.1
149.09612	7.5
149.13301	1.4
151.07549	39.5
157.10161	2.2
159.08063	8.6
159.11752	1.6
161.06084	1.6
161.09686	2.1
161.13318	3.1
162.06859	4.5
163.11230	6.5
165.09189	4.0
167.07047	100.0
169.02667	1.4
170.22691	1.1
173.09708	3.4
173.13232	1.2
175.07655	3.5
175.11206	1.6
175.14917	1.5
176.08339	6.7
177.09119	98.0
178.09496	1.2
187.11279	3.4
188.08403	1.5
189.09053	7.2
190.09991	4.0
191.10675	62.4
191.17999	1.3
202.10040	1.6
203.10648	7.1
203.18022	1.5
205.12233	58.3
207.10068	1.1
209.13327	1.2
217.12329	5.2
219.13945	4.1
231.13844	1.5
399.32767	1.2
413.34500	8.6
431.35553	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	431.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25449	0.8
55.05511	3.9
56.75587	0.9
57.03422	1.2
57.07075	22.5
60.61125	0.9
67.01863	0.9
67.05489	2.5
69.07068	7.0
69.52125	6.1
71.08283	1.1
71.08635	15.0
79.05489	0.9
81.07066	8.4
83.04977	2.3
83.08619	5.2
85.09711	0.9
85.10189	9.1
85.54961	0.8
91.05444	2.0
93.07051	5.4
95.08591	9.0
97.10162	4.1
99.11733	1.3
105.07021	1.2
109.06503	3.7
109.10172	4.3
110.61612	0.8
111.08025	1.0
111.11692	2.6
119.08552	1.7
121.06496	2.3
123.08092	3.8
123.11683	1.1
125.05963	1.1
125.13247	1.8
127.09705	0.8
131.08575	1.9
133.06467	0.8
133.10109	1.1
135.08031	1.7
137.05969	15.0
137.09529	1.0
137.13220	1.1
138.06763	1.5
139.07535	3.0
143.08546	1.2
147.08047	3.6
147.11659	1.1
149.05975	3.8
149.09647	1.0
151.07541	34.3
157.10123	1.2
159.08020	1.5
161.06041	4.4
161.09598	3.3
163.07597	1.4
165.05496	10.7
165.09099	11.8
167.07037	100.0
173.09595	1.1
174.06737	1.0
175.07555	6.7
175.11160	1.5
177.09109	5.0
178.06287	1.2
179.07036	5.3
179.10664	4.1
181.08598	3.6
188.08344	1.9
189.09116	8.1
189.12772	1.4
191.07002	1.7
191.10695	4.3
192.07733	1.5
193.08594	11.2
195.10170	2.6
199.11047	1.1
202.67725	0.9
203.10648	6.4
205.12285	2.1
207.10172	15.4
217.12206	4.5
221.11700	6.3
231.13805	2.0
235.13429	3.8
249.14948	2.1
263.16458	0.9
291.19321	1.3
297.67975	1.0
305.21265	1.6
319.22647	1.7
385.34726	1.3
395.33157	0.9
403.35660	2.7
413.34219	6.0
429.90842	1.0
431.35178	43.3
432.35242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
52.65835	4.4
55.01881	4.8
55.05506	21.9
57.07071	14.9
67.05496	37.1
69.07071	28.3
70.89154	5.7
70.89502	10.6
71.28654	4.6
79.05477	31.2
81.07060	64.1
83.05001	6.1
83.08613	12.6
85.06537	8.4
91.05484	23.5
93.07049	68.5
95.04972	9.7
95.08610	100.0
97.06534	10.9
97.10186	16.1
99.04452	7.5
99.08076	7.1
103.05462	5.1
105.07027	58.9
107.08594	91.0
109.06500	8.6
109.10165	50.9
111.08054	6.9
115.05438	5.0
117.07014	9.4
119.08576	86.1
121.10143	72.2
123.08089	14.8
123.11696	27.2
125.09634	8.6
128.06285	5.7
131.08571	18.0
133.10136	74.3
135.08055	22.4
135.11705	64.2
137.09630	14.1
137.13289	6.1
139.11151	6.3
143.08563	17.5
145.10133	43.7
147.08051	7.0
147.11678	64.5
149.09615	15.7
149.13232	20.6
151.11188	18.5
153.01752	5.3
153.09105	7.7
157.10130	24.1
159.11693	40.8
161.09639	9.3
161.13231	31.2
163.11169	36.0
163.14836	14.1
167.10728	9.1
169.10104	6.4
171.11690	22.1
173.09732	5.7
173.13226	24.3
175.11177	16.8
175.14815	10.4
177.12753	24.8
177.16275	7.9
183.11578	5.1
185.13300	15.9
187.14799	24.9
189.12764	17.7
189.16391	16.5
191.14349	8.9
195.13820	61.3
199.14854	12.7
201.16422	18.4
203.14304	12.7
205.04941	10.9
205.15880	75.9
207.13832	12.7
213.16415	19.8
215.17960	8.2
217.15790	9.5
219.17467	27.8
221.15454	7.5
225.16595	5.7
227.18095	9.5
231.17418	52.5
233.15448	5.8
241.19672	5.8
243.17627	6.3
245.19048	20.1
249.18529	7.8
259.20609	12.4
322.02206	6.2
377.28351	23.2
395.29462	76.1
413.23093	19.0
413.30405	77.7
431.24057	18.4
431.31641	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	431.3158
Annotation	Homaxisterol C1
Peak:m/z	Relative Intensity
53.03951	1.2
55.01865	1.9
55.05510	6.1
57.07072	1.9
58.08016	1.1
65.03946	1.4
67.05510	10.7
69.03432	1.8
69.07063	8.9
71.04979	2.7
71.08632	2.1
79.05508	6.6
81.03407	1.5
81.07053	16.8
83.04972	2.5
83.08607	4.2
85.02908	4.5
85.06520	1.9
91.05473	9.9
93.07044	19.2
95.04945	1.5
95.08605	23.8
96.49442	1.1
97.06519	2.8
97.10156	2.0
98.98512	1.5
99.04462	8.2
99.08097	1.6
105.07031	17.5
107.08592	30.9
109.06484	2.2
109.10146	16.9
111.08062	2.0
113.98531	1.2
117.07001	4.0
118.70651	1.3
119.08592	22.6
121.06514	1.5
121.10143	22.4
123.08073	3.7
123.11708	6.3
125.06007	1.7
128.06134	1.3
129.06966	2.2
131.08588	9.0
133.06441	1.3
133.10124	24.5
135.08066	4.2
135.11687	19.5
137.05997	1.2
137.09579	2.0
137.13257	2.1
142.07796	1.2
143.08540	3.3
145.10126	18.2
147.08025	2.8
147.11685	17.8
149.09608	4.0
149.13249	7.0
150.80449	1.3
151.07562	2.1
151.11166	8.4
157.10143	8.2
159.11707	14.9
161.09604	4.0
161.13301	7.1
163.11185	7.8
163.14850	5.3
165.12767	3.5
169.10097	2.5
171.11696	4.7
173.09647	3.1
173.13278	5.9
175.11179	16.8
175.14809	4.4
177.12770	3.9
179.08350	1.2
179.14336	3.0
185.13223	4.8
187.11189	1.6
187.14804	7.2
189.09093	1.3
189.12726	2.3
189.16362	18.4
191.10643	8.2
191.14383	2.6
191.17941	9.5
193.12248	21.5
195.11568	1.4
195.13727	1.3
197.13445	1.4
199.14806	3.7
201.16345	9.7
203.14320	1.7
203.17953	1.9
203.88022	1.2
205.12206	3.3
207.13757	8.4
207.17476	4.7
213.16330	4.8
215.18135	1.3
217.12288	2.5
217.15836	1.2
223.13316	9.2
225.16545	1.3
227.17908	2.3
231.13799	2.5
233.15387	3.0
251.16527	1.6
259.16925	2.8
273.18387	2.3
277.21573	1.6
377.28207	1.7
395.29480	33.1
413.30515	100.0
414.30872	2.3
431.31616	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	431.3133
Annotation	Hecogenin
Peak:m/z	Relative Intensity
54.37659	1.1
55.05505	3.4
57.07067	1.8
67.05489	3.6
69.07066	3.9
71.08627	1.4
75.75563	1.2
79.05485	1.9
79.65143	1.0
81.07060	5.8
83.08615	2.0
91.05487	2.3
93.07032	3.3
95.04936	1.0
95.08591	5.1
97.10148	1.7
98.21525	2.2
102.08027	1.0
105.07036	1.7
107.08582	2.3
109.10151	4.4
111.11744	1.2
119.08568	2.6
121.10175	1.8
123.08083	2.0
123.11678	3.0
131.08582	2.3
133.10141	1.8
135.08070	2.0
135.11691	2.0
145.10066	2.2
148.44360	1.1
149.02094	10.0
149.09621	2.0
151.07547	18.5
159.11699	1.6
167.07051	3.1
177.09084	1.8
187.14833	1.6
191.10725	1.6
193.44458	1.1
305.28137	4.4
334.53342	1.2
413.34576	1.8
431.31293	100.0
432.31741	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	430.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04500	4.2
55.05512	36.5
57.07075	59.9
60.46810	4.1
61.30837	4.2
67.05509	23.4
69.06713	7.6
69.07069	100.0
69.69484	22.8
69.69897	6.7
71.04977	4.5
71.08634	47.6
79.05496	9.5
81.07056	63.7
83.08611	76.2
85.06528	20.9
85.10188	23.2
87.04460	8.8
91.05451	9.4
93.07040	24.6
93.14899	4.1
95.08604	64.2
97.06531	14.3
97.10166	56.9
99.04480	6.0
105.07028	15.6
107.08604	25.7
109.06532	11.7
109.10157	30.1
111.11728	31.6
113.13249	5.7
115.07542	9.4
119.08565	17.9
120.08923	4.5
121.10107	22.0
123.11704	15.4
125.13233	18.1
127.07551	15.3
127.87487	3.9
129.09105	8.5
133.10149	17.2
135.11670	16.4
137.09595	10.4
137.13240	13.5
139.11090	7.2
143.10690	10.4
147.11656	17.4
149.13249	6.7
151.11153	14.1
151.14792	8.9
153.12791	5.2
153.16335	6.2
155.10678	4.7
157.12204	7.8
161.13287	25.6
164.07054	9.3
164.11630	5.1
165.09145	7.9
165.12790	25.2
167.07004	4.7
169.12260	10.1
171.13881	6.1
175.14815	6.4
177.16412	7.7
179.14337	34.9
183.13809	9.9
189.16429	8.2
193.15897	8.7
197.15488	10.7
239.19902	4.4
241.21721	6.1
250.10684	8.1
263.27295	10.7
267.23154	5.3
287.27261	14.2
305.28293	18.7
323.29446	36.9
341.30600	11.6
413.32666	10.9
425.08884	4.7
430.32977	11.9
444.73544	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.6
56.70947	1.3
56.88977	1.5
57.03436	23.9
57.07079	13.4
59.04988	2.2
61.02930	15.5
63.04494	21.3
63.86046	1.5
66.95261	1.4
69.03429	36.6
70.06584	2.1
71.01353	6.0
71.05003	4.5
71.05383	2.5
73.02919	89.1
81.03423	6.8
85.02906	79.6
86.09708	3.1
87.04472	6.1
91.03953	2.5
91.05483	4.5
97.02896	64.7
98.97598	2.9
99.04448	5.0
101.09684	1.5
103.03937	6.2
103.14786	1.6
109.02882	8.0
115.03944	30.6
119.10698	100.0
127.03919	26.5
133.04968	37.8
145.04967	34.3
150.07643	1.7
163.06021	13.8
196.01367	1.5
215.12749	3.1
217.07158	2.5
223.06032	6.1
241.07101	6.2
251.14975	4.9
259.08151	10.5
281.16003	2.3
295.10306	2.8
339.66934	1.6
365.98950	1.5
430.21350	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01870	12.1
57.03440	6.8
61.02922	8.8
62.02670	1.2
67.05526	1.2
68.99786	4.9
69.03429	39.1
70.10857	4.6
71.04998	6.1
73.02919	9.6
79.05499	1.2
81.03418	35.2
81.07072	1.6
83.01339	1.9
84.08146	1.5
85.02903	100.0
87.00829	42.1
87.04465	1.8
91.03957	2.9
95.08634	1.4
97.02893	41.3
98.20766	1.4
98.97598	1.4
99.04459	19.9
105.01868	33.0
105.07018	1.5
108.04486	8.5
109.02879	39.1
115.03935	1.3
117.01843	6.3
119.08573	1.7
120.77359	1.1
121.06505	1.6
126.05492	4.4
127.03916	77.5
129.01830	3.3
133.06505	1.7
137.05978	4.4
144.06573	1.5
145.04962	37.7
147.02888	2.7
151.07431	1.1
159.02893	25.4
163.07440	1.0
177.03920	2.0
189.03888	2.3
189.09085	4.6
200.12640	1.0
207.10094	1.6
213.03955	1.9
230.06676	2.5
231.04955	15.1
231.10133	2.9
248.07707	4.3
249.06091	2.3
273.11206	1.8
317.91000	1.2
351.37271	1.1
423.17261	1.2
430.16293	1.4
430.30420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3366
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
53.03947	1.5
55.05507	6.1
57.03426	2.2
57.07077	2.2
67.05505	9.6
67.37030	1.1
69.03439	1.2
69.07077	8.3
71.04996	1.5
71.08649	1.7
79.05506	10.4
81.03419	3.2
81.07063	20.7
83.04977	2.3
83.08619	4.3
85.06532	2.1
91.05468	10.8
93.07049	17.9
95.04957	3.3
95.08611	21.7
96.08939	1.3
97.06525	2.7
97.10152	1.5
105.07031	17.9
107.08595	24.4
108.08931	1.4
109.06512	3.0
109.10160	10.6
111.08081	2.5
117.07047	2.8
119.08583	25.5
121.06513	2.4
121.10145	14.5
123.08080	3.7
123.11716	4.4
125.05998	1.8
129.07060	2.1
131.08549	6.6
133.06509	1.3
133.10126	16.9
135.08090	2.0
135.11685	15.9
137.09656	2.2
137.13271	1.9
143.08578	3.1
145.10130	9.2
147.08051	2.7
147.11685	19.3
149.09630	2.5
149.13272	7.4
151.07579	4.2
151.11198	2.2
157.10176	4.1
159.11710	5.4
161.09624	3.4
161.13263	14.1
163.03928	4.2
163.14864	5.7
165.09096	4.1
165.12712	2.3
171.11656	6.0
173.13304	4.1
175.14810	4.1
177.12737	6.5
185.13293	3.9
187.03909	1.9
187.14854	3.4
189.12740	32.1
189.16364	21.1
191.14326	1.8
191.18004	1.7
199.03911	2.2
199.14838	2.3
201.16443	3.3
203.17934	1.9
205.15776	1.7
207.13913	4.0
207.17445	23.2
213.05518	1.7
213.16402	1.6
215.18082	2.4
217.15938	2.0
227.18002	1.6
233.15405	1.4
239.17978	1.6
241.19594	1.6
253.19582	1.3
256.26526	1.5
259.20596	1.4
319.65417	1.2
355.15369	1.6
393.31635	3.7
399.32639	1.5
411.32693	32.8
429.19141	19.0
429.33643	100.0
430.34042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.84977	0.6
55.01855	0.8
55.05511	15.7
56.93409	0.6
57.03431	0.9
57.07076	11.8
62.94036	0.6
67.01867	1.5
67.05497	6.1
69.07069	51.2
70.07384	0.7
71.04986	0.7
71.08626	5.5
79.05498	3.5
81.07061	14.4
83.04968	1.4
83.08622	20.3
85.02889	1.0
85.10171	2.4
91.05463	3.6
93.07055	10.0
95.04964	1.1
95.08036	1.1
95.08607	14.7
97.06528	0.9
97.10171	11.9
105.07051	3.5
107.08588	3.4
109.06512	4.8
109.10139	8.1
111.04557	0.7
111.08112	1.0
111.11717	6.1
117.07035	1.1
119.08577	3.1
121.06505	2.6
121.10155	2.5
121.64835	0.6
123.04422	0.7
123.08072	3.4
123.11700	5.1
125.06014	1.1
125.13239	2.2
131.08549	1.5
133.06468	1.8
133.10144	1.5
135.08041	1.6
135.11690	1.6
137.05974	11.4
137.09554	0.8
137.13251	3.8
139.07544	4.8
139.14847	0.7
141.05461	2.0
143.08556	1.0
145.10176	1.2
147.08032	2.2
147.11691	1.6
149.05989	4.2
149.09616	1.9
149.13280	1.6
151.07544	19.6
151.14766	1.3
153.05516	0.7
159.08064	2.1
159.11693	1.4
161.05983	3.6
161.09639	1.4
163.07527	1.3
163.11192	1.1
165.05482	9.0
165.09116	9.9
165.16270	1.0
166.09415	1.5
167.07039	100.0
168.07317	0.9
171.11676	0.6
173.09547	1.3
175.07538	4.1
175.11172	2.0
175.14850	0.8
177.05469	1.3
177.09123	4.6
178.06293	1.1
179.07066	4.5
179.10649	2.4
179.17900	0.8
181.08574	4.2
185.13266	0.8
187.11101	1.0
188.08311	0.9
189.09099	6.4
189.12706	1.2
191.07025	3.4
191.10675	2.3
192.07816	1.3
193.08607	6.6
193.12305	1.2
195.10161	1.3
202.10004	0.9
203.10695	3.7
205.08582	6.5
205.12274	2.5
207.10162	10.1
207.21132	0.7
209.91940	0.7
215.10674	2.2
217.12206	2.4
219.10118	3.1
221.11740	4.2
231.13795	2.1
233.11700	2.0
235.13202	1.7
243.76952	0.7
247.13223	1.7
249.14792	1.2
259.16714	0.7
263.16403	1.2
263.27161	0.7
277.18054	1.2
291.19556	1.8
303.19485	1.2
305.21286	1.5
315.23236	0.7
333.24240	1.1
347.25922	3.3
373.27243	1.3
401.34128	0.8
411.32364	3.2
429.34009	10.7
430.65820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.6
60.76311	0.9
70.06584	1.3
71.60785	1.1
73.04745	2.1
79.10178	0.8
84.96019	0.9
85.02889	2.2
91.05808	4.8
97.02898	1.0
98.97586	14.6
99.47404	0.9
116.98628	4.9
128.98647	1.8
134.99629	1.3
137.63687	0.9
158.99693	3.2
161.01260	1.3
163.03879	3.5
167.05614	2.5
177.00745	3.3
189.57414	0.9
201.00691	1.1
214.96118	1.0
219.01759	4.7
237.02870	4.5
271.04944	1.0
331.07162	3.7
349.08115	2.2
359.02869	4.1
411.19772	2.8
422.68698	0.9
429.04669	6.4
429.13919	7.0
429.20969	100.0
430.21408	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
69.03418	0.4
69.81315	1.0
69.81721	0.7
73.04756	1.0
85.02927	0.4
87.35082	0.3
91.05811	1.5
97.02893	0.8
98.21481	0.4
98.97586	0.8
108.53775	0.3
143.00194	0.4
161.54301	0.3
163.03928	0.6
167.05598	0.8
173.44182	0.3
176.03455	0.4
203.05252	1.2
225.04410	0.3
237.02844	0.6
255.68636	0.3
359.02832	1.6
371.16888	1.2
381.96475	0.3
411.19870	1.8
429.20996	100.0
430.21408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.3
69.03423	0.3
70.04554	1.4
70.06596	0.4
71.04990	0.4
73.04761	0.3
81.03412	0.4
85.02885	0.8
86.09667	0.4
91.05458	0.5
98.97585	0.6
104.67883	0.3
116.07014	0.3
121.06458	0.3
133.10126	0.3
137.06010	0.3
203.05321	0.8
219.01807	0.3
249.14674	1.1
267.15762	0.7
332.77615	0.3
371.16864	1.8
411.19809	1.6
429.20966	100.0
430.21118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16588	0.3
63.44194	0.3
69.59171	2.2
71.04974	0.3
87.44456	0.3
158.99675	0.4
179.03439	0.6
191.10321	0.5
203.05290	2.0
226.07825	0.5
239.30424	0.3
249.14732	0.7
327.26898	0.4
359.03040	0.5
371.16711	1.2
429.20966	100.0
430.21439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	35.8
57.07582	3.9
62.73917	4.0
69.03432	3.9
69.43925	11.2
69.44336	19.2
70.06585	4.9
73.66740	3.3
75.82056	4.1
81.03406	5.6
81.07076	5.3
85.02937	4.7
89.06025	8.4
97.02871	4.6
98.97583	45.2
105.06998	4.7
107.74960	3.9
116.98580	10.1
143.00200	5.0
151.07574	5.6
153.02238	4.1
158.99657	8.2
171.03328	17.8
177.00754	5.9
189.04381	27.6
193.05338	4.8
203.05925	8.0
207.05396	7.5
211.06451	12.2
215.09697	4.2
221.06822	4.6
249.11772	11.9
267.12653	64.6
267.15454	3.4
285.13715	63.7
290.90005	3.7
303.14752	8.5
309.13724	100.0
327.14783	57.1
358.98990	4.2
359.03387	4.6
369.15955	5.8
398.70798	3.8
400.13138	5.1
400.70001	3.6
429.19791	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03436	0.8
59.05557	0.5
67.23681	0.4
68.08678	0.5
69.03435	2.5
69.07049	0.6
70.05972	1.8
70.06625	0.5
71.04971	0.8
73.04768	1.1
81.03430	0.5
84.96019	0.8
85.02901	4.7
86.03234	0.8
91.05798	1.7
93.07063	0.6
97.02895	1.4
98.97590	1.4
99.04459	0.5
103.76772	0.5
105.07072	0.6
109.02865	0.9
110.97573	0.5
113.40519	0.5
116.98624	0.7
127.03912	0.9
128.98642	0.6
135.04393	0.6
143.00153	0.5
145.04994	1.2
146.05254	0.5
151.03976	0.6
158.99666	0.6
163.03949	2.2
167.05652	0.7
171.63977	0.5
179.03444	1.0
181.06284	0.6
187.64186	0.6
203.05298	1.8
206.79668	0.5
219.01817	1.2
237.02808	1.2
251.10400	0.5
263.83023	0.6
274.70633	0.7
359.03101	1.1
371.16919	3.4
389.76825	0.6
393.14026	0.6
411.20004	1.1
424.48721	0.6
426.43542	0.6
429.14081	5.4
429.21017	100.0
430.21490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97678	0.4
62.22174	0.4
62.81511	0.3
69.56190	0.8
69.56612	2.1
72.08107	0.4
81.03428	0.4
93.07050	0.5
95.08620	0.4
98.21490	0.7
109.10167	0.4
109.40278	0.3
111.32492	0.4
133.10133	0.4
147.11655	0.5
183.64784	0.3
203.05275	5.4
205.12090	0.9
213.07703	0.4
218.05577	0.4
221.10127	0.4
223.11862	0.8
225.09717	1.8
225.44202	0.3
241.12891	0.8
243.10858	2.1
246.04979	0.5
249.11087	0.7
267.12100	14.1
285.11780	1.1
309.12006	0.9
398.06787	0.4
429.17288	100.0
430.17599	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	429.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09341	0.3
71.11443	0.5
71.11755	0.5
73.04745	0.9
91.05782	0.9
97.02913	0.5
98.97573	1.6
105.09285	0.4
107.04950	0.7
115.56432	0.3
121.02896	0.7
148.72711	0.4
149.05795	0.5
167.05550	0.6
180.45659	0.4
186.02333	0.3
196.52733	0.4
219.01735	0.4
237.02684	0.5
267.01596	0.3
267.08609	0.6
278.81381	0.4
296.79382	0.4
358.78159	0.4
359.02957	0.7
397.56274	0.5
429.13687	100.0
430.14066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15799	1.3
53.03946	1.9
55.01880	2.7
56.78938	1.5
56.96548	1.8
57.03428	12.1
61.02925	8.9
69.03427	17.7
69.07070	14.1
69.99515	5.9
71.04990	3.6
73.02908	6.7
81.03422	8.1
81.07063	6.1
84.08171	1.5
84.96020	2.4
85.02905	100.0
87.04473	5.1
91.03964	4.5
97.02894	26.7
98.97575	8.2
99.04440	3.3
99.08090	42.6
107.04960	2.1
109.02856	7.6
110.97599	2.2
115.03948	6.2
116.98666	2.9
117.09132	28.3
121.06483	1.8
127.03908	22.3
128.98566	1.5
129.05536	2.1
133.04935	4.0
135.04393	2.5
145.04958	56.5
147.04411	3.5
158.99669	2.6
160.50406	1.8
163.03899	6.2
163.06001	27.3
176.07005	3.6
213.11299	2.1
231.12140	2.0
237.02896	2.6
256.10547	1.5
325.11389	5.6
325.59109	2.5
347.08731	1.7
347.58600	4.4
358.08298	1.9
428.20065	4.7
429.20990	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	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01863	6.6
56.96564	1.4
57.03434	14.5
59.04976	1.6
60.47750	1.3
61.02933	13.9
63.41938	1.6
63.98592	1.4
69.03432	27.6
70.32382	5.6
71.01350	3.9
71.04964	1.3
73.02919	65.9
81.03419	6.0
85.02906	100.0
87.04469	3.7
91.03947	4.6
91.05473	3.3
93.07030	2.7
95.08616	1.8
97.02898	53.6
98.97568	4.7
99.04448	4.2
103.03954	2.4
109.02888	8.2
115.03934	22.8
127.03919	33.0
133.04968	33.4
138.35390	1.5
140.84010	1.4
145.04959	55.8
153.70540	1.4
158.99663	2.2
159.08281	1.4
163.06027	19.9
178.23517	1.9
181.07269	1.4
198.94997	1.4
223.05980	6.2
231.48969	1.5
234.08640	5.4
234.95444	1.5
241.07057	4.1
259.08090	5.1
270.16959	1.6
429.15396	3.5
448.22372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01863	2.5
55.32483	1.0
56.96529	0.8
57.03435	5.3
61.02927	7.1
69.03436	15.0
69.07072	19.7
70.88218	1.7
70.88554	1.7
71.04995	1.8
71.62559	0.8
73.02910	5.9
81.03423	6.9
81.07065	3.9
85.02908	100.0
86.38498	0.8
87.04459	1.9
91.03967	4.3
97.02895	23.5
98.21355	0.9
98.97588	1.4
99.04463	4.5
99.08100	10.3
103.03934	1.9
109.02884	9.2
109.71062	0.8
111.08047	1.0
115.03932	1.8
116.98690	1.0
117.09145	9.0
120.11343	0.9
127.03924	26.5
145.04964	51.0
147.04422	1.2
158.99748	1.4
163.03961	5.3
163.06012	26.2
176.07089	1.9
213.11174	1.7
231.12277	1.7
325.11249	4.9
394.47708	1.0
428.20016	1.9
429.21298	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.394
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03938	2.5
55.05506	12.2
57.07075	8.1
63.22822	2.3
67.05500	31.6
69.07072	27.5
69.55521	10.9
69.55943	5.0
71.08613	5.0
79.05491	10.3
79.64024	2.4
81.07055	50.2
83.08623	14.4
90.33918	2.1
91.05469	6.9
92.38622	2.1
93.07043	26.0
94.07404	3.7
94.58964	2.3
95.04947	2.3
95.08607	100.0
96.08926	5.6
97.10178	9.0
105.07046	12.3
107.08593	36.4
109.10154	90.0
110.10478	2.9
111.11717	5.2
116.70261	2.6
117.20931	2.6
119.08577	18.5
121.10126	31.2
123.11719	29.2
125.09662	2.6
128.22992	2.6
133.10103	16.2
135.11684	24.0
137.09637	3.5
137.13257	21.7
145.10120	6.0
147.11673	10.8
148.11966	3.3
149.09734	2.8
149.13261	16.0
151.07552	5.7
151.14793	4.2
159.11679	5.6
161.13249	11.7
163.14812	19.3
165.09116	17.7
167.07004	2.8
173.74258	2.6
175.07582	2.7
175.14792	3.6
177.09135	5.0
177.16368	8.7
179.14301	8.3
187.14760	3.3
189.16467	11.5
191.14351	2.6
191.17931	23.0
203.10707	8.2
203.18004	8.8
205.19466	18.9
207.17389	6.4
217.19595	6.1
219.21092	5.6
229.00110	3.7
229.15909	3.0
229.19456	5.2
231.21082	4.4
287.50967	2.3
335.57916	2.2
409.33945	3.0
409.38351	6.9
427.24878	4.2
427.35126	13.9
427.39255	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	427.3938
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03943	2.9
55.05510	26.8
57.07073	13.0
67.05502	31.9
69.06767	3.0
69.07076	34.2
71.04993	3.1
71.08621	5.1
71.62292	4.1
79.05495	19.0
81.07060	71.4
83.08623	19.9
85.06548	3.9
91.05492	12.4
93.07044	55.2
95.04972	5.2
95.08608	100.0
97.06506	2.3
97.10158	14.9
105.07018	27.1
107.07864	3.1
107.08598	77.7
109.10157	78.9
111.08045	4.2
111.11726	9.0
119.08582	38.1
121.10144	55.0
122.10436	2.6
123.08044	8.1
123.11714	35.2
128.86504	2.4
131.08563	5.0
133.10130	27.1
135.07999	5.0
135.11700	45.4
137.09615	8.9
137.13245	13.7
139.11227	2.8
143.08583	3.0
145.10107	13.0
147.11670	23.3
149.09598	5.8
149.13274	42.7
151.11197	4.0
151.14833	5.3
157.10121	3.3
159.11699	8.1
161.09552	2.9
161.13274	19.9
163.11157	3.9
163.14830	29.1
165.09123	34.8
165.12776	5.6
171.11705	3.9
173.13228	9.1
175.11168	3.1
175.14824	13.9
177.12946	3.1
177.16374	16.8
179.14310	10.1
187.14841	10.8
189.16414	23.8
191.10741	2.6
191.17953	31.8
199.14827	2.7
201.16405	6.2
203.10614	3.8
203.14485	2.3
203.17950	14.6
205.12242	2.8
205.15868	6.0
205.19490	8.8
207.17442	11.5
213.16374	3.4
215.17911	9.6
217.19569	11.3
219.17426	3.1
219.21037	7.4
229.19452	2.9
255.21135	5.7
259.24313	2.5
285.22067	3.0
325.29074	3.0
391.33609	4.1
409.30099	3.5
409.34100	3.6
409.39127	13.9
427.35587	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01855	3.5
55.05518	19.0
56.57820	2.3
57.03427	3.1
57.07066	10.7
63.81284	2.9
65.03928	2.5
67.05164	4.6
67.05506	74.1
69.06718	2.5
69.07069	34.3
70.78201	4.5
71.04990	3.6
71.08610	8.4
79.05505	22.1
81.07055	100.0
83.04973	3.6
83.08630	16.3
85.06528	9.7
91.05488	14.8
92.64537	2.5
93.07050	37.4
95.08607	97.7
96.08936	3.2
97.06518	7.6
97.10181	12.8
102.54383	2.5
105.07030	20.7
107.08588	27.5
109.06483	3.2
109.10162	50.4
111.08111	3.8
119.07874	2.7
119.08606	19.3
121.10153	32.7
123.08086	5.1
123.11713	24.3
125.09611	2.9
131.08540	9.7
133.10141	21.6
134.60561	2.4
135.11696	25.9
137.13263	11.7
145.10103	9.2
147.11696	23.0
149.09628	5.1
149.13255	10.1
151.14841	2.6
155.10596	2.6
159.11664	6.4
161.13229	17.0
163.14799	8.4
165.09122	6.8
165.12787	4.9
173.11829	3.2
173.13269	7.8
175.14790	4.4
177.12733	2.7
177.16405	4.7
179.14293	7.7
187.14812	7.6
189.16412	3.8
195.13756	3.1
205.15881	4.8
207.17386	3.0
207.96689	3.2
209.15425	3.0
219.17558	3.6
242.66525	2.8
243.21042	12.2
261.22110	34.0
271.39734	2.5
279.23209	85.5
279.26254	4.1
297.24207	10.0
314.91266	2.7
427.36505	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05255	0.9
55.05513	11.8
57.07075	6.3
65.03942	0.7
67.05506	7.2
69.06718	1.3
69.07074	19.2
71.08637	3.9
73.35729	0.7
79.05496	4.2
80.03867	0.6
81.03400	1.0
81.07063	12.2
83.04996	1.2
83.08619	12.2
85.06554	4.1
85.10175	1.9
91.05502	4.3
93.07048	7.7
93.67023	0.7
95.05012	0.8
95.08610	15.2
96.08968	0.8
97.06573	1.1
97.10186	5.6
105.07047	5.9
107.08598	9.6
109.10169	11.7
111.11736	3.4
117.07065	1.0
119.08594	8.1
121.06487	0.9
121.10143	8.5
123.08122	1.2
123.11694	4.4
125.05977	1.1
125.13280	1.3
131.08569	2.0
133.04091	0.8
133.10149	5.8
135.08057	2.8
135.11729	5.1
137.09645	9.2
137.13246	2.9
143.08507	1.0
145.10129	3.7
147.11691	3.6
149.09615	9.7
149.13232	4.6
151.07515	2.1
157.10143	0.9
159.11693	3.8
160.08830	1.0
161.13275	3.3
163.07516	1.9
163.11229	5.5
163.14801	2.5
165.09123	100.0
166.09363	0.9
172.08936	1.3
173.09601	1.1
173.13278	2.6
175.07503	1.2
175.11160	2.0
175.14873	1.8
176.08374	1.2
177.09138	7.5
177.12750	1.3
177.16478	1.4
177.65782	0.8
179.10667	2.2
179.14430	1.0
185.13205	0.8
187.11206	3.3
187.14845	2.5
189.09117	3.1
189.12767	1.6
189.16403	2.5
190.09927	1.0
191.10693	7.0
191.17964	4.0
201.12758	1.5
201.16443	2.0
203.10677	8.3
203.14279	2.4
203.17978	1.7
205.12245	10.7
205.15926	1.9
213.16451	1.3
217.12195	2.6
217.19525	1.1
219.13828	1.9
219.17480	1.8
222.46057	0.8
225.16200	0.9
227.14600	0.9
231.13791	2.3
243.17644	0.8
245.15456	1.0
273.18475	1.2
275.27417	1.1
325.25311	1.0
340.27658	1.8
345.27805	2.0
381.31583	2.2
399.32440	1.3
409.30063	1.0
409.34787	2.9
425.46820	0.8
427.36429	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	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
54.78187	1.2
55.05513	6.6
56.96559	1.2
57.07069	3.5
62.43904	1.0
63.34076	1.3
67.05505	15.1
69.03441	1.9
69.07070	19.6
79.05488	9.9
80.70962	1.1
81.07058	27.7
81.07506	1.7
83.04987	1.6
83.08639	5.2
85.06550	1.8
91.05479	8.7
93.07043	24.4
93.07610	1.5
94.07365	2.1
95.04993	2.8
95.08609	37.7
96.08923	1.4
97.06535	2.6
97.10174	2.6
99.08078	1.4
105.07022	14.5
107.08592	30.9
107.09280	2.2
109.06534	2.8
109.10157	18.0
110.10503	2.0
111.08105	2.8
111.11770	1.6
117.07109	2.6
117.84584	1.3
119.08571	23.7
121.06533	3.6
121.10143	25.3
121.90568	1.3
123.08114	4.9
123.11697	11.7
125.09633	1.6
129.07034	2.1
131.08578	9.6
133.10115	16.9
135.08098	4.3
135.11694	19.3
135.51733	1.4
137.09680	3.0
137.13235	12.1
139.41052	1.3
143.08611	4.8
145.10127	13.8
147.08102	2.4
147.11699	15.5
149.09616	5.9
149.13246	12.6
151.11240	3.0
153.09219	1.5
157.10208	5.5
159.08105	1.4
159.11725	10.1
161.09676	1.6
161.13248	8.1
163.11195	3.7
163.14818	11.0
165.09200	4.0
165.12790	2.3
169.10173	1.6
171.10394	1.4
171.11743	5.7
173.13239	8.7
175.07512	1.5
175.11249	2.2
175.14891	5.3
177.09166	3.0
177.12852	4.6
177.16382	6.4
179.14406	2.4
183.11810	2.4
185.13361	3.9
187.14847	8.6
189.16406	12.4
191.10776	1.9
191.14450	4.1
191.18074	5.2
193.16028	1.5
199.14911	4.2
201.16356	6.9
203.18039	5.1
205.15923	9.7
207.17482	8.1
211.14941	2.0
213.16481	1.6
215.18071	3.6
217.19676	2.1
219.17432	5.9
221.15501	1.9
227.18008	1.8
229.16034	1.6
229.19644	2.0
241.19638	1.7
243.21114	1.5
255.21233	2.4
261.22311	1.7
269.22745	2.6
269.25681	1.3
271.20676	1.3
275.06702	1.3
287.23709	1.7
331.26474	3.2
391.29666	2.5
391.34247	1.9
409.19089	1.4
409.30997	4.6
409.35513	8.5
427.35995	100.0
428.36542	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.7
57.07069	13.5
67.05508	30.8
69.07060	31.6
71.28436	4.3
79.05494	24.8
81.03495	4.3
81.07056	86.8
82.07413	5.2
83.08618	14.6
85.06519	5.4
91.05466	31.1
93.07048	68.3
95.04977	8.8
95.08607	100.0
96.08950	5.5
97.06520	5.5
97.10186	7.7
98.21528	9.2
99.08094	20.9
105.07027	56.2
105.07662	7.4
107.08596	91.4
108.42006	4.1
109.06516	6.2
109.10163	62.1
110.10489	5.4
111.08089	14.3
113.09677	5.5
117.07011	6.3
119.08578	76.9
121.06533	6.0
121.10149	62.0
123.08086	9.0
123.11707	27.1
124.77042	5.1
126.52977	4.8
127.07508	7.1
129.07083	5.8
131.08569	31.4
133.10141	75.6
135.08090	10.6
135.11693	49.0
137.13275	27.3
143.08574	13.0
145.10123	44.0
147.11676	54.6
149.09642	8.4
149.13275	42.4
151.11133	4.8
155.08559	5.6
157.10139	15.5
159.11707	36.0
161.09605	11.1
161.13264	36.3
162.82822	4.7
163.11153	9.5
163.14813	28.2
165.12825	5.7
166.47523	4.7
171.11719	15.8
173.13274	35.8
175.14835	29.0
177.16437	16.3
179.14322	12.2
183.11746	8.7
184.07574	4.5
185.13295	11.9
187.11296	5.8
187.14795	35.0
189.12694	7.8
189.16364	31.8
191.14241	9.8
191.17931	23.2
195.61165	6.2
197.13292	6.3
199.14798	12.0
201.16380	29.7
203.14307	7.5
203.17973	20.6
203.19760	4.6
205.15849	10.7
205.19717	4.8
207.17427	12.5
213.16425	5.2
215.17958	13.5
217.15851	5.2
217.19514	10.0
221.15382	7.2
227.17888	4.4
229.15973	6.5
229.19531	13.1
243.21054	5.7
255.21036	7.0
269.22601	5.2
391.33969	8.4
409.30179	10.7
409.35245	43.5
427.30820	26.8
427.35742	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.05509	15.4
56.96563	2.1
57.07063	7.3
66.76476	2.7
67.05167	2.3
67.05506	36.4
69.03415	3.2
69.06752	2.6
69.07072	26.3
69.61503	10.6
69.61913	4.3
71.04988	3.9
71.08651	2.2
79.05492	26.5
81.07059	80.7
83.04974	2.9
83.08621	14.7
85.02844	1.9
85.06525	4.6
89.76227	2.1
91.05480	21.3
93.06462	4.3
93.07047	62.4
95.04970	4.4
95.08608	100.0
96.08933	3.2
97.06488	3.5
97.10156	7.7
99.08073	6.7
105.07027	35.7
107.08597	78.8
109.06544	3.6
109.10160	62.1
111.08072	6.6
111.11742	4.2
113.09635	3.0
117.07006	7.1
119.08587	49.1
121.10143	65.3
123.08084	5.3
123.11720	26.0
125.09618	2.9
125.13280	2.4
127.11163	3.3
128.06110	2.4
129.07030	3.3
131.08580	15.5
133.10127	33.8
135.08041	4.3
135.11697	41.1
137.09650	3.4
137.13219	10.6
139.11166	3.6
143.08585	8.6
144.09288	2.5
145.10133	25.2
147.08038	3.2
147.11696	33.3
149.09625	3.7
149.13271	73.3
151.07504	5.4
151.11160	3.6
151.14851	2.7
155.08540	2.6
157.10164	11.0
159.08170	2.7
159.11679	21.3
161.13249	28.5
163.11174	3.5
163.14839	29.1
165.09105	7.9
167.06960	2.5
169.10150	3.4
171.11668	9.8
173.09621	3.3
173.13254	12.2
175.14821	18.2
177.16403	29.3
179.14304	3.4
183.11719	6.2
185.13213	6.8
187.11235	3.0
187.14809	15.3
189.09001	2.7
189.12820	3.4
189.16415	17.8
191.14270	3.0
191.17957	31.0
192.18207	3.2
197.13280	6.2
199.14784	7.5
201.16336	11.3
203.14517	2.7
203.17929	16.3
205.15892	8.9
205.19498	9.3
207.17337	3.7
209.13275	3.4
211.14713	3.3
213.16441	6.0
215.17966	12.2
217.15829	4.0
217.19516	7.3
219.17575	2.3
219.21101	3.6
221.15340	6.2
223.16951	6.1
225.16357	3.3
227.14490	2.8
227.18019	2.7
229.19554	9.9
231.21059	3.5
235.16867	4.5
241.19537	4.8
247.16891	2.8
247.20547	4.2
257.18924	3.6
257.22623	5.5
259.20401	2.4
261.38177	2.0
273.22083	2.6
353.32141	2.6
357.27872	5.3
391.33862	3.4
402.60211	2.3
409.34839	12.2
427.28268	9.1
427.35995	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26298	0.5
53.03947	0.6
55.05256	0.7
55.05512	11.6
57.07078	5.9
67.05506	5.4
69.07071	31.4
69.50967	3.5
71.08624	3.0
72.26260	0.4
79.05492	1.6
80.07529	0.5
81.07054	9.5
82.07397	0.7
83.04958	0.7
83.08624	11.5
85.10167	1.2
86.17305	0.5
91.05488	2.1
93.07029	3.2
95.04980	0.6
95.08605	8.6
97.10174	5.4
98.03084	0.5
98.21524	1.0
105.07025	2.0
107.08585	4.8
109.10156	6.5
111.11724	2.7
117.07014	0.8
119.08611	3.4
121.06496	1.3
121.10128	2.8
121.59418	0.6
122.07291	1.2
123.08099	0.7
123.11681	2.7
125.13219	0.8
131.08571	1.2
132.73689	0.6
133.10097	1.2
135.08043	3.3
135.11681	1.9
137.09613	10.6
139.07550	0.7
145.10184	0.9
147.11688	0.6
149.09608	10.5
149.13220	0.8
151.07538	2.1
157.10135	1.0
159.08060	0.9
159.11700	1.7
160.08876	1.0
161.09601	1.2
161.13260	0.7
163.07600	1.3
163.11189	6.3
165.09119	100.0
173.09644	1.7
173.13286	1.1
175.07571	1.0
175.11179	3.1
176.08298	1.1
177.09119	6.7
177.12805	1.2
179.10660	1.6
185.13179	0.7
186.10396	0.7
187.11197	1.9
187.14729	0.6
188.08395	0.7
189.09119	2.4
189.12741	1.8
190.09914	1.4
191.10677	7.9
191.14293	0.7
193.12289	0.6
199.11206	1.1
201.12746	2.0
203.10687	8.5
203.14294	1.7
204.11559	0.6
205.12247	12.1
215.14351	0.8
216.11497	0.9
217.12250	1.6
219.13759	3.1
231.13840	2.3
233.15523	0.8
245.15399	0.8
289.21567	0.6
298.01547	0.5
301.21613	0.6
317.24765	0.7
331.26337	0.6
340.78040	0.6
345.27798	1.4
359.63315	0.7
371.29510	0.9
409.34708	0.9
412.33487	1.2
427.35770	12.6
428.36188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03958	0.9
55.05273	1.0
55.05515	3.6
57.07069	1.8
62.70942	0.8
66.75669	0.9
67.05510	5.6
69.07081	5.8
69.63817	5.6
71.78154	0.9
75.31593	0.8
79.05520	5.0
81.07061	15.5
83.04987	1.6
83.08622	3.0
85.06575	1.7
86.41098	0.9
91.05495	3.9
93.07056	15.4
93.65985	0.8
94.49201	0.8
95.04958	1.5
95.08614	24.9
95.26865	0.8
97.06516	1.6
97.10174	2.0
105.07021	11.7
107.08596	24.9
109.06509	1.9
109.10158	13.3
111.08070	1.3
117.07000	1.2
119.08582	17.6
121.10147	16.9
123.08085	4.0
123.11720	4.1
131.08560	6.7
133.10147	11.5
135.08072	2.6
135.11685	18.7
135.12685	1.3
137.09618	2.1
137.13281	2.1
137.39485	1.1
145.10124	8.0
147.11691	14.6
149.09691	1.4
149.13263	10.5
151.11227	1.6
157.10107	1.6
159.11716	6.5
161.13280	7.5
163.14833	9.1
165.12610	1.0
167.07050	1.0
171.11720	2.6
173.13284	3.3
175.14781	5.6
177.16345	6.8
179.14401	1.6
185.13293	2.6
187.14825	11.0
189.16393	21.1
191.14420	1.1
191.17987	3.4
199.14856	2.3
201.16409	7.8
203.17996	3.6
205.15886	46.4
207.17461	26.6
213.16393	1.9
215.17889	5.4
217.19456	1.7
219.17407	4.4
227.18063	1.7
229.19574	1.8
233.19025	1.1
241.19542	2.1
243.21002	1.1
255.21201	3.4
269.22836	2.7
324.32855	2.2
331.26224	6.1
357.27820	2.0
391.33566	2.1
409.34671	9.9
427.35791	100.0
428.36179	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	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05510	6.6
57.03415	1.5
57.07076	1.6
67.05500	8.3
69.07073	9.1
69.51602	4.8
69.52036	4.8
72.79494	1.2
79.05483	7.2
81.07055	21.1
83.08615	5.4
85.06548	8.9
91.05476	5.9
93.07038	20.8
95.08610	34.2
97.10176	2.9
98.21468	2.2
99.08083	1.9
100.62132	1.3
105.07041	15.9
107.08595	32.4
109.06531	3.5
109.10160	23.6
111.08109	3.0
113.09655	1.6
117.06985	2.9
119.08588	25.7
121.10146	26.9
123.08081	5.5
123.11710	8.8
124.61102	1.2
125.09692	1.8
125.34972	1.4
127.11182	1.2
131.08559	9.5
133.10136	20.3
135.08060	2.7
135.11700	23.3
137.09613	2.4
137.13271	4.0
143.08527	2.0
145.10138	16.6
147.11685	20.2
149.09615	1.8
149.13264	13.4
157.10135	3.4
159.11682	10.2
161.13237	9.8
163.14828	12.6
165.12796	2.6
171.11740	3.0
173.13275	8.1
173.97272	1.2
175.14876	7.5
177.16454	8.8
179.14355	2.0
185.13283	2.3
187.14825	12.6
189.16389	24.0
191.14302	1.5
191.17932	14.6
193.15929	3.3
194.87401	1.2
199.14891	2.5
201.16350	9.7
203.14293	2.2
203.17963	7.5
205.12466	1.6
205.15887	37.6
205.19566	1.5
207.17413	23.1
213.16452	3.8
215.14381	1.5
215.17943	6.2
217.19536	6.7
219.13885	1.4
219.17383	6.8
229.19543	4.0
239.18135	1.3
247.20607	1.4
255.21118	5.2
269.22534	1.7
287.23749	1.5
331.26376	5.5
357.27853	1.3
391.33652	3.7
409.34879	17.5
427.35809	100.0
428.35977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.6
56.96552	3.2
57.07057	5.8
67.05511	29.7
69.07066	27.0
69.94830	9.9
69.95236	5.9
71.04975	3.2
79.05495	24.2
81.07059	63.8
83.08601	12.3
85.06578	4.0
91.05483	24.1
93.07046	48.6
95.08607	100.0
97.06530	4.5
97.10151	5.3
99.08064	5.7
105.07032	45.9
107.08595	81.5
109.06487	6.0
109.10149	54.5
111.08048	5.5
111.11728	4.5
117.06998	5.4
119.08577	71.1
121.06509	6.4
121.10149	61.5
123.08089	6.8
123.11706	22.5
125.09640	3.9
129.07018	5.9
131.08560	25.2
133.10123	45.4
135.08035	8.4
135.11693	51.5
137.13246	12.3
143.08542	8.8
145.10129	40.9
147.08002	4.7
147.11693	35.9
147.21283	3.3
149.09529	6.2
149.13269	25.9
151.07547	4.6
151.11195	4.4
155.08574	4.0
157.10098	14.4
159.08080	4.0
159.11681	46.5
161.09570	4.3
161.13263	25.1
163.11198	10.2
163.14819	20.9
168.09259	3.2
169.10088	6.9
171.11708	12.9
173.09592	3.9
173.13274	22.3
175.11211	4.9
175.14821	17.7
177.12685	10.8
177.16391	21.7
179.14192	4.1
183.11647	10.4
185.13264	11.1
187.11189	5.1
187.14839	33.8
189.12682	7.6
189.16388	40.9
191.14183	4.8
191.17937	64.2
197.13164	3.9
199.14844	8.2
201.12651	23.7
201.16449	15.4
203.14365	6.8
203.17918	8.8
205.12296	25.0
205.15889	17.3
207.17522	15.1
211.14723	5.4
213.16414	7.0
215.14378	14.8
215.17859	7.9
217.15817	4.3
217.19615	4.7
219.13731	11.3
219.17450	5.2
219.21266	3.1
225.16446	4.0
227.14391	6.6
227.17920	6.8
229.15863	12.2
229.19337	4.3
239.18027	3.2
241.19453	4.1
243.17615	3.6
253.19608	3.7
255.17461	6.5
255.21013	4.3
257.18964	3.9
269.18863	8.2
275.19739	3.1
323.27258	3.8
391.29898	94.5
392.30072	2.9
409.30487	31.9
409.34830	9.2
427.31314	52.7
427.36276	19.4
428.32352	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	427.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.05520	18.7
57.07079	6.0
67.05508	31.3
69.07076	24.6
71.04984	6.4
71.62154	3.3
71.62545	3.5
79.05497	25.5
81.07065	66.6
81.93429	3.2
83.04968	4.4
83.08614	14.8
85.06532	9.0
91.05467	27.3
93.07048	59.1
95.08608	100.0
96.08949	5.8
97.06541	4.2
97.10187	6.0
99.08117	6.2
104.99297	3.5
105.07034	58.4
107.08601	70.3
109.06540	5.9
109.10166	53.0
110.10482	6.1
111.08102	7.7
117.07024	12.2
119.08585	85.7
121.06538	3.8
121.10158	61.2
123.08089	10.4
123.11705	21.2
127.89848	3.4
129.07028	5.6
131.08577	32.9
133.10123	49.3
135.08052	6.6
135.11705	43.0
136.12000	4.9
137.09618	9.8
137.13245	8.8
139.07544	6.5
143.08603	7.9
145.10136	42.5
147.08061	12.4
147.11658	37.6
149.09618	11.2
149.13258	25.3
151.07536	7.2
151.11198	3.9
157.10162	12.8
159.11699	36.4
161.09628	7.1
161.13274	22.0
163.11171	8.5
163.14838	24.3
165.09116	15.6
165.12640	4.5
166.09479	10.6
167.07057	3.6
169.10167	6.2
171.10390	3.3
171.11676	16.6
173.13255	22.9
175.11168	4.9
175.14859	19.1
176.15245	3.7
177.12759	6.5
177.16425	17.5
183.11720	6.9
185.09686	4.1
185.13278	13.3
187.11217	5.6
187.14796	17.3
189.12808	5.6
189.16400	41.7
191.14323	14.8
191.17958	12.4
195.11789	3.9
197.13281	6.0
199.14839	14.1
201.12779	8.0
201.16443	16.6
203.14381	11.6
203.18001	12.8
205.12265	10.5
205.15848	16.7
207.17477	21.2
211.14780	5.6
213.16331	3.5
215.18019	5.8
217.15909	10.1
217.19478	6.5
219.13765	4.4
219.17442	14.1
221.15346	7.4
225.16599	3.3
227.17947	5.9
229.19475	6.7
233.15302	5.8
237.18472	6.1
241.19429	4.6
253.19652	4.6
271.20450	4.3
344.47174	4.1
391.29877	15.7
409.30649	37.8
409.35446	8.0
427.31116	59.7
427.36102	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81260	3.7
55.05517	10.2
56.96569	10.1
57.03452	10.2
57.71771	4.2
67.07694	4.1
69.03433	21.2
69.07081	8.7
69.52583	22.9
69.52988	9.0
71.04987	15.3
73.02934	9.1
73.06552	4.3
79.05498	4.2
81.07056	5.3
83.04967	6.9
83.08623	28.3
85.02903	64.9
87.04465	6.2
89.03911	5.6
91.05502	5.4
95.04942	4.5
97.02907	23.6
98.97589	28.7
99.04421	4.7
100.16812	4.0
101.09656	27.9
105.07040	5.4
109.02872	5.2
110.97571	4.8
111.04446	5.7
115.03928	6.7
117.09161	9.4
119.10698	8.7
121.06485	8.0
123.04422	6.0
127.03954	4.9
128.98589	7.3
129.05463	7.4
135.04460	12.2
145.05005	5.9
147.06567	8.1
150.07755	28.2
155.07074	5.0
158.99628	7.4
161.01210	5.5
163.03941	30.2
177.00710	6.6
179.03389	12.2
203.05635	4.9
203.07475	24.1
219.01723	11.8
235.90727	4.5
237.02753	4.4
259.07904	34.0
276.22638	4.4
295.11526	4.8
311.97260	5.1
338.73041	4.5
351.24496	5.0
368.58118	4.7
374.19922	4.3
397.18399	14.3
409.19226	4.8
427.14191	8.1
427.19946	100.0
438.71338	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.1
56.96561	7.9
57.03447	7.9
67.05499	5.0
69.03438	25.0
70.06598	5.1
70.91026	9.4
71.04979	17.0
72.08137	4.3
73.02917	6.3
79.05479	3.5
81.03429	4.1
81.07049	6.9
83.08624	31.9
85.02910	54.5
85.06548	4.6
87.04471	8.0
91.03959	3.3
91.05509	5.2
97.02923	18.9
98.97581	14.6
99.04430	4.1
101.09644	27.9
109.02885	3.7
110.97609	4.1
112.07466	3.4
117.09069	4.4
119.10696	6.9
121.10097	3.9
127.03944	9.0
129.05505	10.3
129.10066	4.0
137.06058	3.9
145.02895	3.8
145.04932	6.6
145.10068	4.3
147.06496	7.0
148.04788	3.5
150.07686	4.3
161.09645	4.5
163.03920	6.4
163.11128	5.6
170.88336	3.2
177.05522	6.4
179.03436	6.2
191.10687	4.2
203.07433	4.9
219.01814	5.8
229.15953	4.7
242.08226	4.4
247.14600	4.8
247.16934	18.0
264.05692	4.1
265.15689	4.1
270.43268	3.6
290.81607	3.3
295.93774	3.1
365.05490	3.5
427.19568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.2
55.05501	0.8
56.96558	1.1
57.03427	0.6
57.04548	0.4
60.53849	0.3
65.48978	0.2
67.29561	0.3
67.70153	0.2
69.03427	1.0
69.07059	0.8
70.33250	1.1
71.04993	0.6
73.02921	0.6
79.05488	0.5
81.03413	0.5
81.07056	0.6
83.04932	0.3
84.96014	0.3
85.02904	1.4
86.09707	0.3
87.04459	0.5
91.05539	0.3
93.07034	0.6
94.04079	1.3
95.04951	0.2
97.02888	1.1
97.10180	0.9
98.97581	1.6
107.08604	0.6
109.02875	0.3
110.97588	0.3
115.03935	0.4
115.11224	0.4
116.98614	0.7
123.06725	0.6
128.98613	0.5
133.04982	0.6
135.11681	0.2
143.00200	0.3
146.06038	0.3
148.06227	0.4
150.07753	100.0
151.08090	0.6
158.99669	0.4
161.09590	0.3
177.00786	0.3
219.01782	0.5
237.02702	0.5
252.09328	0.5
261.09964	0.4
282.11932	0.6
291.03903	0.4
295.11505	19.0
296.11847	0.3
358.07993	0.5
405.14230	0.4
419.12012	0.4
427.10303	0.4
427.19556	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1213
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
56.05087	0.4
68.56516	0.4
69.50740	1.0
69.51156	2.8
85.02918	0.8
98.97565	0.8
185.04181	0.6
249.25671	0.4
265.06891	1.5
274.72443	0.5
278.01627	0.5
397.11078	5.6
427.12125	100.0
428.12369	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	427.1214
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
56.96561	1.0
57.86157	0.4
65.95457	0.5
69.03418	0.9
70.45779	1.7
85.02920	2.8
97.02883	1.2
98.97591	2.9
101.00866	0.8
109.02853	0.6
110.45322	0.4
110.97572	0.7
116.98605	1.0
119.01872	0.7
127.03871	0.8
136.06184	0.5
143.01903	0.6
145.03453	1.3
155.01900	1.6
155.03131	0.4
157.03436	0.5
158.99625	0.6
161.02950	1.3
163.03876	0.6
173.02954	1.8
177.00769	0.7
185.02942	1.0
203.04056	0.7
215.04166	0.5
219.01855	0.8
221.05048	1.3
237.02869	0.9
287.06131	1.2
313.07849	0.7
397.10101	0.6
427.12128	100.0
428.12476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54880	4.1
50.92775	4.1
62.30978	4.4
69.03406	11.6
71.60130	4.7
84.91176	30.6
85.02895	17.6
97.02876	6.1
103.00640	9.5
109.02912	5.0
119.01924	8.2
121.01662	16.2
133.01656	7.1
143.01862	8.2
145.01617	22.1
147.03175	6.8
155.01840	6.2
157.01633	14.3
157.03461	14.6
159.03313	6.1
161.02937	9.6
163.02635	37.6
163.72223	4.3
169.01686	5.2
175.02658	14.6
175.04504	11.5
185.02962	6.7
187.02728	25.6
199.02751	10.2
203.04004	6.9
205.03806	10.9
217.03816	8.9
217.62383	5.0
221.05159	5.3
224.83684	5.0
229.03883	10.4
245.05017	15.9
246.05176	8.0
247.04852	100.0
259.05124	6.9
265.05939	24.1
277.02536	4.5
277.05920	18.8
303.82471	4.3
307.07114	9.3
367.09125	10.2
427.11945	59.5
442.12122	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01862	7.2
55.05256	3.2
55.05510	41.6
55.60513	1.7
57.03217	1.7
57.03437	18.8
59.04987	3.9
61.02924	16.3
61.32130	2.6
67.05500	2.7
69.03435	38.1
69.07066	6.3
69.40737	15.7
71.01324	3.9
71.04991	3.7
72.92009	1.7
73.02917	89.2
76.12606	1.7
81.03409	7.0
81.07050	4.5
83.04996	2.2
85.02902	100.0
87.04459	6.1
91.03967	2.6
91.05464	4.0
93.07020	1.9
95.04947	2.4
95.08593	3.9
97.02892	70.1
97.10167	50.0
98.20762	2.8
99.04432	3.9
100.11234	3.0
103.03942	4.2
105.07030	3.1
107.08553	2.6
109.02879	7.8
109.10173	2.0
111.04363	2.8
114.76284	1.7
115.03942	31.8
120.97668	1.6
121.28011	1.8
127.03918	31.8
133.04961	41.2
133.10115	3.8
139.11165	2.3
145.04964	44.1
150.07634	3.8
151.11211	2.4
163.06023	22.2
168.66486	1.8
180.54883	1.8
193.04938	3.5
205.52504	1.7
211.13402	2.4
223.06042	8.0
223.13315	2.7
229.14250	3.2
229.67975	1.7
241.07074	8.7
259.05768	2.1
259.08023	11.4
330.18433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01862	7.2
55.05256	3.2
55.05510	41.6
55.60513	1.7
57.03217	1.7
57.03437	18.8
59.04987	3.9
61.02924	16.3
61.32130	2.6
67.05500	2.7
69.03435	38.1
69.07066	6.3
69.40737	15.7
71.01324	3.9
71.04991	3.7
72.92009	1.7
73.02917	89.2
76.12606	1.7
81.03409	7.0
81.07050	4.5
83.04996	2.2
85.02902	100.0
87.04459	6.1
91.03967	2.6
91.05464	4.0
93.07020	1.9
95.04947	2.4
95.08593	3.9
97.02892	70.1
97.10167	50.0
98.20762	2.8
99.04432	3.9
100.11234	3.0
103.03942	4.2
105.07030	3.1
107.08553	2.6
109.02879	7.8
109.10173	2.0
111.04363	2.8
114.76284	1.7
115.03942	31.8
120.97668	1.6
121.28011	1.8
127.03918	31.8
133.04961	41.2
133.10115	3.8
139.11165	2.3
145.04964	44.1
150.07634	3.8
151.11211	2.4
163.06023	22.2
168.66486	1.8
180.54883	1.8
193.04938	3.5
205.52504	1.7
211.13402	2.4
223.06042	8.0
223.13315	2.7
229.14250	3.2
229.67975	1.7
241.07074	8.7
259.05768	2.1
259.08023	11.4
330.18433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05510	21.4
56.44564	2.3
57.07066	7.6
65.03941	2.8
67.05502	40.0
69.07065	30.7
69.49990	17.9
71.04996	3.6
77.47069	2.5
79.05491	27.8
81.07060	74.9
82.72395	2.3
83.04962	4.2
83.08618	14.6
85.02876	3.3
85.06498	3.0
85.81432	2.7
91.05471	23.1
93.07041	60.7
95.04982	3.8
95.08608	100.0
97.06502	5.8
97.10159	8.7
99.08092	11.6
104.17660	2.6
105.07039	56.7
107.08597	86.2
107.67326	2.3
109.06518	5.2
109.10160	93.2
109.10861	3.4
110.62289	2.5
111.08088	5.5
111.11683	5.4
117.07001	4.1
119.08579	72.8
121.10142	69.7
123.08081	4.4
123.11704	29.3
125.09616	2.7
127.11217	4.3
128.06177	4.2
129.07011	6.5
131.08557	22.4
133.10123	49.3
135.08061	3.2
135.11687	56.0
137.09503	2.5
137.13284	13.8
143.08571	14.0
145.10126	33.0
147.11676	57.9
149.13251	29.9
151.11182	3.0
151.14734	3.2
157.10150	16.5
159.11658	29.8
161.13257	30.6
163.11235	3.6
163.14833	21.2
165.09145	7.6
165.12747	2.8
169.10168	3.5
171.11682	12.7
173.13269	25.7
175.14799	18.4
177.12668	2.7
177.16396	10.0
179.14264	3.8
183.11696	10.9
185.13245	11.6
187.14824	17.4
189.12761	2.6
189.16397	25.8
191.17955	44.5
193.12175	2.9
197.13304	3.7
199.14874	15.4
201.16383	22.5
203.14268	4.2
203.17981	23.7
205.15887	5.2
205.19490	7.2
207.17543	4.6
211.14857	6.7
213.16330	6.5
215.17934	12.3
217.15909	4.3
217.19513	23.1
219.01900	3.6
219.17400	4.0
225.16394	4.0
227.17950	6.3
229.15794	3.6
229.19514	6.8
231.20819	3.0
235.16879	2.8
239.17882	3.5
241.19585	3.9
243.21024	4.3
253.19626	3.8
255.21201	4.5
257.22443	2.9
259.20523	3.6
285.22147	9.3
285.29419	2.7
287.19922	2.8
292.13171	2.4
353.28616	12.6
379.33582	4.3
390.56808	2.7
407.32855	18.3
425.25189	5.4
425.33640	46.4
425.38351	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.05509	17.1
57.07063	6.5
65.03916	2.6
67.05505	32.2
69.03425	4.0
69.07068	25.0
70.50655	5.2
70.51012	3.6
71.04982	2.8
71.08653	2.0
71.48985	2.1
79.05489	26.5
80.74732	1.7
81.07061	61.6
83.08603	11.2
83.67159	1.9
85.06532	3.0
91.05484	26.2
93.06456	4.0
93.07044	65.1
95.04975	3.2
95.08607	100.0
97.02892	3.7
97.06532	5.4
97.10162	8.2
99.08066	5.5
105.07032	64.3
107.08594	79.0
109.06532	2.6
109.10152	74.3
111.08080	6.9
111.11758	2.5
117.07033	7.7
119.08582	69.6
121.09296	4.0
121.10147	58.1
122.10442	3.0
123.08065	3.6
123.11714	26.4
125.09644	2.5
127.11175	2.0
128.06200	2.4
129.07045	2.3
131.08557	24.3
133.10123	49.7
134.10486	2.3
135.08041	3.9
135.11694	43.5
137.13286	11.9
139.11168	4.1
142.07751	3.1
143.08522	8.5
144.09279	2.9
145.10120	28.6
147.11685	54.1
149.09673	3.3
149.13260	44.9
151.07518	4.0
151.11153	2.6
151.14883	2.9
155.08556	2.3
157.10144	13.2
159.11685	29.1
161.09714	2.4
161.13261	34.6
163.11186	2.5
163.14812	22.8
165.09065	2.9
165.12706	2.6
171.11780	9.4
173.09677	2.4
173.13255	20.7
174.13733	2.3
174.17589	2.0
175.14830	25.8
177.00647	1.9
177.12813	3.1
177.16434	16.4
179.14304	5.0
183.11655	4.8
185.13252	13.1
187.14819	25.5
189.12738	3.0
189.16388	26.6
191.17947	49.7
193.15927	2.4
197.13171	4.6
199.11206	2.2
199.14862	11.1
201.16422	17.7
203.14377	5.2
203.17970	25.9
205.15845	6.0
205.19521	11.3
207.17419	5.0
211.14783	3.8
213.16371	8.3
215.17900	9.4
217.15950	2.5
217.19534	22.5
219.17445	3.6
219.20953	2.8
223.14857	2.1
225.16429	3.1
227.17908	9.3
229.19463	5.3
231.21014	2.3
233.19032	6.9
235.20558	5.3
241.19444	5.1
243.21043	4.4
247.04877	2.8
253.19621	2.4
259.20627	2.5
269.22516	3.0
279.15778	2.0
285.22043	2.5
353.28171	3.9
367.29938	10.0
407.32599	13.6
407.37381	4.8
425.21738	12.8
425.33472	35.9
425.38309	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01872	2.5
55.05510	23.7
56.96566	1.8
57.01595	2.0
57.03445	2.5
57.07066	5.8
63.59361	1.5
66.30703	1.5
67.05505	37.7
67.39599	1.5
69.03430	2.8
69.06718	2.0
69.07073	28.8
70.01692	8.8
71.04988	5.7
71.08621	2.1
79.05496	23.2
81.03427	1.7
81.07060	72.5
83.04981	4.6
83.08625	13.7
85.02937	3.3
85.06530	3.1
88.94862	1.4
91.05473	23.3
93.07048	61.8
95.04976	3.6
95.08608	100.0
96.08942	2.3
97.06542	4.7
97.10166	10.5
98.97581	2.7
99.08100	6.1
101.05988	1.8
105.07033	49.7
106.56606	1.5
107.08597	81.9
108.08958	1.7
109.06554	2.5
109.10159	88.8
111.08096	3.1
111.11721	2.9
115.03936	1.4
117.07002	6.5
119.08585	63.1
120.08908	2.2
120.42695	1.5
121.09298	3.4
121.10148	55.2
123.08077	3.2
123.11707	27.5
125.09617	7.4
125.32337	1.7
127.11179	7.1
129.06979	3.2
131.08546	17.6
133.10136	45.8
135.08099	2.9
135.11696	52.0
137.09595	3.2
137.13242	14.3
139.11075	2.1
143.08537	8.9
145.10123	24.8
147.11694	42.9
149.09598	2.4
149.13274	38.2
151.07527	3.8
151.11183	2.0
151.14778	4.1
155.08537	2.9
157.10121	13.2
159.11697	24.2
161.09637	2.9
161.13269	27.1
163.11195	6.8
163.14842	20.3
165.09079	8.4
167.08679	1.7
169.10123	4.0
171.11655	9.6
173.13237	19.1
175.11229	3.0
175.14857	19.0
177.16428	11.8
179.14290	3.8
183.11691	3.7
185.13289	11.2
187.14845	15.9
189.12729	2.6
189.16373	24.7
191.10677	2.1
191.14369	3.1
191.16185	2.8
191.17947	54.3
192.18304	1.9
197.13210	3.0
199.14890	7.8
201.00903	1.8
201.16402	18.1
203.14320	6.5
203.17972	27.5
205.15854	6.4
205.19579	8.3
207.17444	4.8
211.14842	3.6
213.16411	7.0
214.16673	1.9
215.17949	14.3
217.15933	4.6
217.19492	24.9
219.17398	5.2
219.21106	1.9
221.18936	2.1
227.17984	6.2
229.19536	4.2
231.21126	2.7
233.18951	4.0
235.20578	2.5
237.16225	1.9
241.19496	5.0
253.19478	3.3
255.21184	2.3
257.22726	3.9
269.22455	2.1
273.18436	2.3
285.22214	2.0
287.20178	1.9
301.21875	2.1
311.27142	2.3
323.27380	1.9
353.28549	2.3
376.73117	1.7
379.33508	2.6
407.32452	12.1
407.36975	5.9
414.35883	2.1
425.25824	7.2
425.33231	29.7
425.38156	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.19114	2.4
55.05515	6.0
60.74191	2.5
67.05510	15.7
69.07066	20.9
71.04578	6.4
79.05486	7.1
81.07064	37.3
83.08616	6.5
84.75696	2.5
88.97117	2.8
91.05465	10.7
93.07046	22.6
95.08611	66.4
97.10153	3.6
105.07009	17.0
107.08592	39.2
109.10160	54.2
111.08089	2.6
111.11713	6.4
119.08598	21.4
121.10136	34.7
123.11707	16.6
125.09550	3.3
131.08582	5.7
133.10068	13.5
135.11687	26.1
137.13257	15.4
145.10143	8.7
147.11734	7.8
149.13266	12.7
159.11703	9.0
161.13232	12.4
163.14844	10.8
173.13271	5.3
175.14822	9.5
175.44743	2.6
177.16385	5.2
179.14412	3.9
187.14745	4.0
189.16437	9.6
191.17931	15.3
201.16351	6.6
203.17978	7.9
205.19537	6.7
207.17523	4.7
215.18036	8.2
217.19589	9.0
219.21034	3.5
222.32848	2.5
229.19618	4.2
231.21155	4.3
243.21118	5.8
245.22768	9.5
247.20616	9.0
257.22656	4.8
259.24200	2.7
261.22235	4.7
269.22678	3.9
283.24240	3.1
366.95596	2.7
407.36783	19.9
425.21570	5.8
425.37863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	3.7
55.05510	17.9
57.07067	5.9
58.11034	1.5
62.46867	1.7
65.03928	2.4
67.05510	29.4
69.03425	2.0
69.07076	28.8
69.64344	10.7
71.05000	1.7
79.05496	20.0
81.07063	72.6
83.08622	9.7
91.05485	14.3
93.07050	42.5
95.08613	100.0
97.06541	6.5
97.10171	8.2
98.20712	1.8
99.08115	2.1
105.07033	33.1
107.08599	66.9
109.10161	76.3
111.08089	3.2
111.11727	4.1
116.15887	1.5
117.06998	2.8
119.06133	1.6
119.08585	45.5
121.10143	48.8
123.08098	3.4
123.11726	33.6
125.09622	6.9
125.13351	1.7
129.06964	1.9
131.08565	9.6
133.09209	2.9
133.10138	32.2
135.11700	46.0
137.09619	4.1
137.13260	23.2
143.08534	3.5
145.10141	16.9
147.11696	32.0
149.13266	39.1
151.14865	4.9
157.10130	4.0
159.11693	19.5
161.13264	28.5
163.11240	2.2
163.14830	23.6
165.09137	17.1
171.11674	3.7
173.13290	8.3
175.11255	3.1
175.14833	14.6
177.12779	2.8
177.16338	9.2
179.14320	5.6
185.13284	4.8
187.14816	10.5
189.16380	25.2
191.17964	29.9
199.14870	2.6
201.16415	14.7
203.14365	9.5
203.17972	24.2
205.15799	2.1
205.19557	9.6
207.17407	8.0
213.16400	2.0
215.17989	12.8
217.15875	2.4
217.19522	29.6
219.17453	3.9
219.21049	4.5
221.18990	2.0
227.17891	3.8
227.87767	1.5
229.19548	4.7
231.21098	3.1
233.19069	4.4
243.21085	1.8
245.22682	4.3
255.21135	2.0
257.22720	3.3
257.53677	1.4
267.21118	1.7
269.22763	1.9
299.27539	2.1
311.27301	1.8
338.73318	1.6
375.18304	1.4
383.33374	2.6
407.32278	2.4
407.37271	12.6
425.33585	9.6
425.38605	43.6
426.38507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Nervisterol
Peak:m/z	Relative Intensity
53.03954	2.9
55.05507	10.7
57.07072	5.6
59.40859	2.6
67.05504	26.8
69.07069	19.7
71.12215	4.5
71.12552	3.6
71.30820	2.2
74.60802	2.3
74.92389	2.3
79.05496	14.9
81.07056	55.5
83.08611	9.6
91.05483	14.4
93.07046	48.4
95.05006	3.4
95.08612	100.0
97.10166	8.1
99.36337	2.7
105.07047	29.7
107.08595	73.2
109.10159	60.3
111.08151	3.0
111.11670	3.3
119.08598	36.3
121.10139	55.2
123.11706	27.5
125.09638	3.3
125.84577	3.2
131.08562	7.0
133.10147	23.9
135.11690	41.8
137.09705	3.2
137.13312	6.3
145.10155	9.3
147.11705	32.3
149.13261	50.7
151.14786	4.5
159.11719	9.7
161.13258	28.5
163.14807	24.9
173.13257	8.9
175.14857	18.0
177.16428	18.7
179.14305	8.8
185.13348	3.3
187.14850	6.8
189.16380	17.8
191.17976	45.5
194.04280	2.5
203.17947	20.1
205.19524	16.3
207.17487	5.8
215.17934	10.0
217.19504	29.3
229.19617	6.5
231.21115	4.0
233.19032	16.9
235.20557	6.2
245.22696	7.2
247.20593	3.5
250.66643	2.6
274.27341	2.8
283.24258	3.5
299.27158	2.8
332.32529	3.2
339.54373	2.6
407.37213	16.2
425.37982	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	3.1
55.05514	27.9
57.03419	2.3
57.07084	9.0
64.29614	1.7
66.45356	1.7
67.05505	31.9
69.03424	2.0
69.07069	38.5
70.16531	5.2
71.08615	4.2
79.05492	18.5
80.39352	1.7
81.07057	63.2
83.04959	2.0
83.08611	19.9
85.06541	2.9
86.21182	2.0
89.05997	2.6
91.05476	16.6
93.07043	41.7
95.04965	4.5
95.08607	100.0
97.06525	5.2
97.10159	15.1
99.08023	2.1
105.07032	39.4
107.08594	70.6
109.06570	3.0
109.10155	72.2
111.08048	5.0
111.11709	6.1
117.07006	4.6
119.08584	60.8
119.09439	2.2
121.10144	59.0
123.08047	3.2
123.11704	37.9
125.09659	2.0
127.11180	2.0
131.08562	11.8
133.10130	51.1
134.10443	2.1
135.08034	2.1
135.11697	55.1
137.09659	3.0
137.13263	15.3
143.08522	3.6
145.10117	20.5
147.08025	4.7
147.11687	35.0
149.09612	2.5
149.13258	29.1
151.11183	4.2
151.14778	5.2
157.10149	7.4
158.58588	1.7
159.11685	24.9
161.09599	2.6
161.13258	34.7
163.11157	2.2
163.14818	23.5
165.09116	3.6
165.12761	3.4
171.11659	5.8
173.13232	18.4
175.14835	26.2
177.12888	2.2
177.16405	18.5
179.14294	8.1
183.11639	2.0
185.13248	8.2
186.13985	2.0
187.14799	19.3
189.16382	35.1
191.14188	3.0
191.17963	20.9
193.15854	2.5
199.14821	5.0
201.16403	16.4
203.14310	7.8
203.17937	30.5
205.15863	4.6
205.19473	11.2
207.17422	16.4
211.14786	1.9
213.16417	3.7
215.17966	14.0
217.15921	2.5
217.19499	17.4
219.17482	2.1
219.21164	2.6
221.19002	4.5
227.17961	5.4
229.19530	12.0
231.21100	8.2
233.19005	3.2
239.18103	2.1
241.19476	2.5
243.21065	6.1
245.19167	2.1
245.22705	8.7
251.88202	1.8
253.19548	2.5
255.21039	4.9
257.22577	8.8
259.24100	4.0
269.22607	6.1
271.20935	1.7
271.24185	10.1
283.24225	5.0
285.25726	5.2
287.23788	2.4
297.25748	2.5
315.26797	4.6
329.28235	2.6
337.29022	3.4
344.73898	2.0
365.32129	7.5
407.32629	6.3
407.37238	25.9
425.21887	10.8
425.33582	27.4
425.37735	50.3
442.97180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80339	1.3
53.03938	1.9
55.05278	1.3
55.05510	11.7
57.07081	8.7
57.11098	1.0
62.03781	1.1
63.87338	0.9
67.05173	1.8
67.05511	27.1
69.07067	21.4
69.88628	2.1
69.89050	3.4
71.08621	2.1
79.05504	12.6
81.07061	67.1
83.04977	1.5
83.08621	10.8
85.06519	1.2
89.06012	1.1
91.05476	11.1
93.07040	23.6
95.08611	100.0
97.06532	1.4
97.10164	4.9
98.21487	1.3
102.92747	1.1
105.06386	1.4
105.07036	22.1
107.08598	30.1
109.06480	2.1
109.10162	37.4
111.11695	2.6
116.55655	1.0
117.07002	4.7
119.08582	23.1
121.09295	1.7
121.10143	24.4
123.08122	1.2
123.11716	22.5
125.13303	2.2
129.06996	2.5
131.08591	10.9
133.06497	2.4
133.10135	19.7
135.08118	1.2
135.11699	20.7
137.13260	41.2
143.08588	5.7
145.10129	18.4
147.11705	15.0
149.09573	1.4
149.13281	14.9
151.14819	3.3
157.10175	5.2
159.11720	12.5
161.13255	14.3
163.14838	7.3
169.08078	1.1
169.10069	1.2
171.11717	6.3
173.13260	10.3
175.14825	9.1
177.12796	1.8
177.16411	5.4
179.17934	2.2
183.44720	1.0
185.13251	8.9
187.14854	9.0
189.16414	8.8
191.14400	1.6
191.17964	9.6
193.19490	2.0
199.14764	6.0
201.16396	9.3
203.14348	6.4
203.17950	9.5
205.15866	3.9
205.19409	4.1
207.17401	1.8
213.16382	7.1
215.17950	8.3
217.15944	2.6
217.19539	8.1
219.17329	5.0
219.21112	1.2
221.18945	1.0
227.17955	6.7
229.19499	3.8
231.17455	2.4
233.18951	1.7
239.18022	1.3
241.19376	2.1
245.18999	3.4
247.20749	1.3
255.21019	4.7
257.22562	4.2
269.22653	4.2
273.22015	1.8
283.24081	2.3
294.50290	1.1
318.67630	1.1
334.14581	1.1
342.01102	1.2
395.36703	2.5
407.32138	2.3
407.37210	12.1
425.21851	2.4
425.33084	20.6
425.37964	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66719	1.6
55.05510	9.6
57.07057	2.8
57.94373	1.6
60.68004	1.4
65.03925	2.4
67.05510	36.5
69.07075	16.2
69.44135	3.3
69.44534	11.1
71.08645	2.2
79.05487	11.2
81.07054	37.1
83.08620	8.1
85.06543	1.9
91.05463	10.3
91.62991	1.7
93.07045	20.6
95.04951	3.2
95.08607	41.6
97.06540	2.1
97.10132	2.1
105.07030	26.8
107.08600	31.8
109.06499	2.9
109.10158	100.0
117.06992	4.3
119.08580	30.2
121.06512	1.6
121.10147	22.5
123.08099	2.4
123.11699	10.0
129.06981	2.0
131.08559	6.3
133.10135	18.7
135.08051	3.2
135.11700	19.5
137.09595	2.9
137.13232	5.2
143.08559	6.1
145.10141	10.7
147.08078	4.0
147.11684	16.5
149.13300	10.1
155.08478	2.0
157.10130	4.5
158.10960	1.6
159.11703	9.3
161.09637	4.5
161.13232	15.1
163.14810	6.6
165.09167	3.4
171.11696	4.8
173.13216	8.2
175.11142	2.5
175.14851	9.7
177.16368	4.8
179.14384	2.8
183.11647	2.5
183.92445	1.7
185.13245	5.2
187.14771	5.2
189.12683	2.0
189.16367	16.9
191.14333	2.0
191.17926	9.1
199.14763	3.4
201.12747	2.3
201.16344	3.6
203.14340	29.0
203.17964	13.4
205.15977	2.7
205.19687	3.0
207.17482	3.2
213.16376	3.1
215.17899	4.3
217.15816	5.4
217.19539	4.6
229.19580	1.6
235.16934	3.4
253.19675	2.4
257.18976	1.8
271.20483	2.5
368.90393	1.7
389.31729	2.2
407.32825	8.0
425.33981	72.0
426.34616	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05501	8.5
57.07071	2.2
67.05506	18.4
69.07077	14.8
69.08062	2.4
70.85603	3.3
79.05484	6.4
81.07059	39.5
83.08601	5.0
91.05470	8.2
93.07049	23.6
95.08608	100.0
97.10165	3.8
98.20900	2.6
103.90370	2.0
105.07042	15.6
107.08601	36.9
109.10161	37.5
111.08063	4.2
111.11716	4.4
119.08567	13.6
121.10165	26.7
123.11720	22.9
131.08585	5.1
133.10130	15.7
135.11682	21.1
135.60345	1.8
137.13292	11.3
139.11171	8.7
145.10130	5.2
147.11691	15.2
149.13271	17.9
151.14809	2.6
153.12782	4.3
159.11679	8.9
161.13249	11.0
163.14822	14.5
173.13240	7.1
175.14809	8.3
177.16389	9.9
179.17743	2.1
187.14836	7.1
189.16399	10.0
191.17960	5.4
195.17392	8.9
201.16431	5.5
203.17976	7.4
205.19554	3.8
207.17548	1.9
213.16417	3.6
215.18018	10.8
217.19530	8.7
227.17970	2.9
229.19568	8.0
231.21065	8.5
233.18980	2.5
243.21269	3.4
257.22644	8.5
259.24158	11.5
269.22559	3.2
271.24243	12.3
285.25836	7.1
353.46182	2.0
356.44003	1.8
367.33606	3.8
407.36612	4.0
425.37943	45.6
426.38232	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05299	1.3
55.05516	17.0
57.07059	5.9
62.99960	1.2
65.03922	2.1
67.05506	29.5
69.06715	1.8
69.07067	27.7
69.65353	6.1
69.65770	2.0
71.04969	1.8
71.08608	2.7
79.05116	1.8
79.05495	20.3
81.07056	70.6
81.86378	1.5
83.08620	13.4
91.05475	16.7
93.06462	2.3
93.07039	44.5
95.04958	2.7
95.08607	100.0
96.08894	1.8
97.06521	4.9
97.10160	8.4
101.11331	1.6
105.07032	40.1
107.08596	62.8
107.61079	1.3
109.06507	2.7
109.10158	83.1
111.08067	3.4
111.11733	4.0
117.06985	4.1
119.07780	2.8
119.08578	43.3
121.09299	3.0
121.10149	50.2
123.08046	2.9
123.11709	29.2
125.09646	7.3
127.11142	2.8
131.08531	8.1
133.10138	34.7
135.08008	3.0
135.11697	44.8
136.12032	1.5
137.09596	2.4
137.13271	15.7
143.08530	3.2
145.10120	16.7
147.08099	2.1
147.11697	33.3
149.12151	2.6
149.13264	33.1
151.14806	3.5
157.10175	3.2
159.11702	16.6
161.13258	29.0
163.14824	20.9
165.09109	12.4
171.11652	3.3
173.13281	8.9
175.11221	2.2
175.14842	13.7
177.16356	10.6
179.14293	6.4
185.13263	3.9
187.14891	9.4
189.16388	25.0
191.17957	39.7
197.13168	2.1
199.14761	2.9
201.16385	15.6
203.14319	2.2
203.17963	28.8
205.15904	3.9
205.19537	10.6
207.17390	6.5
213.16428	1.9
215.17953	10.3
217.15977	3.0
217.19518	27.3
219.17410	2.6
219.21056	2.7
227.17908	2.5
229.19482	4.9
231.21051	3.9
233.18982	4.7
235.20607	3.0
241.19466	2.2
243.21051	3.3
245.22755	3.5
255.21080	2.3
257.22653	4.4
269.22595	1.7
271.24109	2.9
297.25882	2.1
355.29977	2.5
407.32144	1.8
407.37164	12.6
425.33063	6.1
425.38458	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05514	8.2
57.07071	8.7
67.04098	1.5
67.05504	21.9
69.07068	18.3
69.19669	1.5
70.72748	4.6
71.08617	2.9
79.05502	11.5
81.07057	70.9
83.08614	7.3
91.05485	10.3
93.07043	18.5
95.08604	100.0
97.10164	6.7
100.00038	1.5
105.07024	18.3
107.08592	27.5
109.06513	2.7
109.09447	2.4
109.10157	34.3
111.08057	3.6
111.11713	2.5
117.06977	3.1
119.08578	15.8
121.10150	21.3
123.11710	19.0
125.82907	1.4
129.06985	2.0
131.08557	8.4
133.10114	14.1
135.11700	14.4
137.09677	1.6
137.13251	53.3
139.11157	1.9
143.08533	3.4
145.10139	16.0
147.04352	1.5
147.11693	13.0
149.13234	15.2
150.18889	1.4
151.14844	4.8
157.10129	2.3
159.11710	11.2
161.13237	10.3
163.14830	6.0
171.11662	3.1
173.13210	5.5
175.14821	7.2
177.16380	4.5
179.14474	2.1
179.17986	1.9
185.13232	4.4
187.14810	7.4
189.16371	5.6
191.17888	5.5
193.19601	2.2
199.14795	3.5
201.16364	6.4
203.14333	1.8
203.17909	5.4
205.19601	3.7
207.17429	2.3
213.16377	4.6
215.17917	6.7
217.19458	5.9
219.17375	2.8
227.17969	3.9
229.19580	3.6
231.17365	3.0
243.21167	2.5
255.20993	2.9
257.22595	5.2
267.21155	1.8
269.22644	3.7
273.22198	1.6
275.23776	1.9
287.23566	2.1
367.33563	2.0
407.37167	8.7
425.32593	10.1
425.37711	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.13720	2.7
53.03939	4.2
55.05511	22.1
57.07077	9.0
58.64772	2.6
60.00475	2.5
65.03919	3.5
67.05508	34.2
69.07066	23.1
71.08632	4.4
79.05510	16.0
79.05884	3.1
81.07059	65.6
83.08612	12.6
84.71526	3.2
91.05473	18.3
93.07049	56.1
95.04947	4.1
95.08610	100.0
97.10172	9.3
105.07030	33.6
107.08592	78.7
109.06496	3.0
109.10159	86.3
111.11755	4.0
112.69968	2.9
117.06998	5.9
119.08587	60.8
121.10145	80.4
123.11722	32.2
125.09639	3.0
131.08582	8.0
133.10133	77.3
135.11690	72.0
137.13231	18.4
145.10139	12.3
147.11705	39.7
149.13268	25.6
151.14825	3.0
157.10191	5.7
159.11699	20.3
161.13287	38.4
163.14839	30.8
165.09135	5.7
171.11690	4.2
173.13277	12.7
173.21681	3.1
175.14845	26.6
177.12833	3.1
177.16386	18.9
179.14281	9.4
185.13297	3.2
187.14845	13.4
189.16388	24.4
191.17929	31.1
199.14900	5.5
201.16347	9.9
203.17995	30.2
205.15779	6.6
205.19507	5.3
207.17418	8.9
215.17981	10.3
217.19495	33.2
229.19568	3.7
231.21071	3.9
245.22655	7.9
287.23425	3.4
389.33951	5.8
407.36615	15.4
425.21271	4.2
425.33438	9.3
425.38565	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.05515	9.7
57.07064	6.7
58.87977	1.6
65.03920	2.3
67.05505	26.2
69.07065	24.7
71.01331	4.1
79.05486	12.0
81.07055	59.3
83.08604	7.1
85.06545	3.3
91.05486	12.8
93.07038	27.4
95.04980	2.0
95.08607	100.0
97.06513	2.5
97.10141	6.9
105.07034	22.9
106.26028	1.5
107.08590	43.8
109.06519	2.6
109.10156	47.1
111.11721	4.2
119.08570	28.5
121.10146	35.9
123.11711	20.1
125.09650	2.1
125.45423	1.7
131.08548	4.9
133.10132	21.1
135.11688	22.8
137.13252	32.7
143.08591	3.2
145.10132	13.3
147.11699	16.5
149.13235	15.1
151.14847	2.7
155.10086	1.6
157.10126	2.8
159.11691	10.7
161.13223	17.2
163.14793	14.9
165.12762	1.7
171.11581	3.0
173.13223	8.7
175.14841	10.9
177.16393	12.2
179.14372	2.2
185.13226	4.2
187.14851	10.4
189.16394	11.7
191.17943	30.2
201.16409	7.5
203.17912	13.8
205.16014	2.2
205.19516	6.3
207.17439	3.0
211.14777	1.9
215.17912	8.5
217.19537	27.3
219.17354	2.0
219.21053	2.2
227.18015	3.0
229.19585	7.0
233.18890	2.0
235.20537	6.2
245.22537	3.1
257.22607	3.5
271.24234	2.6
329.59302	1.8
355.84607	1.9
395.36700	2.5
407.32776	6.0
407.36752	6.5
409.72617	1.9
425.21371	4.6
425.32657	12.7
425.37784	24.3
436.68973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57146	1.8
55.05508	18.6
57.07082	8.0
65.03940	1.9
67.05508	26.9
69.07073	31.8
70.24646	6.1
71.08640	1.9
77.03916	2.0
79.05510	16.0
81.07061	54.2
83.04971	1.6
83.08616	15.4
85.06547	1.5
86.09734	1.6
91.05472	12.8
93.07047	32.9
94.24378	1.5
95.08611	86.1
97.06567	2.2
97.10186	7.6
105.07030	22.5
107.08601	62.8
109.06479	2.1
109.10157	63.9
111.08076	3.3
111.11744	2.8
117.06990	2.1
119.07774	3.1
119.08587	40.6
119.09442	2.0
121.10158	45.2
123.08075	3.6
123.11709	30.1
131.08575	11.0
133.10150	33.0
133.11107	1.4
135.08057	2.0
135.11693	37.0
137.09587	12.6
137.13243	13.9
143.08591	4.2
145.10130	12.7
147.11697	25.9
149.09621	4.6
149.13271	24.2
151.14767	2.9
156.09480	1.6
157.10155	4.0
159.11705	16.1
161.09669	1.9
161.13284	24.5
163.11209	3.6
163.14825	20.9
165.09131	100.0
171.11703	3.2
173.13272	11.4
175.14807	12.1
177.09064	2.9
177.12778	2.3
177.15054	2.5
177.16350	11.2
179.14305	8.1
185.13277	4.6
186.13992	6.0
187.11310	1.8
187.14815	10.2
189.09166	2.0
189.16383	19.4
191.10641	2.3
191.14363	2.3
191.17953	10.5
197.13187	2.4
199.14888	7.4
201.16478	9.8
203.10675	5.2
203.14293	3.2
203.17986	21.7
205.12271	5.8
205.15915	2.4
205.19464	7.7
207.17433	15.4
213.16438	2.3
214.17216	3.4
215.18007	10.7
217.19565	15.4
219.21053	2.3
227.17989	3.7
229.19499	26.5
231.21085	6.1
241.19539	3.0
243.21143	4.3
245.22696	4.6
247.20546	14.1
253.35625	1.6
255.21234	3.1
257.22641	5.4
259.24136	2.2
261.22177	2.6
269.22659	5.0
271.24231	6.2
273.25677	2.2
280.83383	1.8
285.25723	1.8
297.25797	2.1
365.31964	2.4
407.32101	1.9
407.37158	17.1
423.10434	2.1
425.21579	2.6
425.33527	13.4
425.38620	54.3
426.38458	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	2.8
55.05512	13.7
57.07064	8.0
67.05509	28.4
69.07063	44.8
69.37846	2.5
71.09647	3.3
71.09981	4.9
71.74915	2.3
74.03648	2.2
79.05499	16.7
81.07055	72.6
83.08619	15.6
83.33806	2.2
86.09662	2.7
89.06069	2.9
91.05476	17.5
93.07046	45.2
95.08607	100.0
97.10156	4.6
105.07037	30.0
107.08594	84.7
109.10156	75.4
111.08035	4.5
111.11710	10.4
113.04274	2.1
117.07065	3.8
119.08584	44.1
121.10142	68.2
123.11707	46.6
130.52277	2.3
131.08531	11.4
133.10130	37.8
135.11705	44.4
137.13251	26.9
143.08582	3.3
145.10103	15.1
147.11684	32.2
149.13254	26.2
151.14883	5.6
151.52400	2.6
157.10152	5.7
159.11690	24.3
161.13249	22.3
163.14801	21.0
169.48833	2.6
171.11739	4.5
173.13254	14.3
175.14835	23.0
177.16364	14.7
179.14243	3.5
185.13168	6.5
186.62886	2.4
187.14867	10.2
189.16383	16.6
191.18008	11.0
199.14822	4.2
201.16412	13.1
203.14177	2.6
203.17900	13.5
205.19635	5.5
207.17535	6.5
215.17958	10.4
217.19586	13.4
219.17442	3.0
227.17905	4.5
229.19536	11.8
231.21123	9.9
241.19519	3.8
243.21123	14.4
245.22658	10.3
247.20598	3.5
251.79243	2.5
255.21101	3.4
257.22699	8.3
259.24316	4.7
261.22305	4.6
269.22519	13.1
271.24347	12.9
283.24182	6.2
284.87305	2.7
285.25803	8.4
287.23608	5.4
311.27420	5.2
329.28439	7.2
407.36627	24.0
425.37811	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	6.2
57.07061	3.8
64.40789	1.3
67.05521	11.3
69.07072	16.3
69.61035	4.7
69.61465	5.8
76.70450	1.3
77.79602	1.5
79.05495	4.5
80.92090	1.4
81.07058	26.0
83.08604	4.0
83.28754	1.2
91.05476	3.2
93.07047	14.4
95.08608	51.6
97.10178	4.1
105.07042	10.0
107.08588	29.0
109.10155	39.1
111.08097	2.0
111.11744	5.9
119.08588	16.7
120.35110	1.5
121.10146	24.6
123.08060	3.0
123.11723	16.3
131.08562	2.9
133.10141	14.7
135.11707	20.3
137.13242	10.9
145.10133	4.9
147.11688	10.9
149.13229	9.0
159.11720	5.4
161.13268	12.4
163.14857	10.9
173.13252	5.0
175.14882	7.8
177.16411	6.2
179.14325	3.4
179.17961	2.0
179.31728	1.4
180.03748	1.3
185.13194	1.7
187.14880	4.8
189.16435	8.0
191.17972	13.8
199.14978	2.2
201.16405	5.4
203.17886	9.5
205.19521	9.8
207.17461	3.6
215.17967	8.1
217.19501	8.1
219.17355	1.8
219.21100	2.5
229.19536	5.8
231.21146	3.1
233.19008	2.3
243.21114	4.9
245.22664	9.0
247.20537	9.4
257.22647	3.1
259.24130	4.2
261.22211	3.8
269.22769	1.8
271.24231	5.8
285.25714	3.8
297.25647	1.9
407.36835	16.6
425.37805	100.0
426.38162	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05510	21.2
57.07090	6.8
65.03936	2.5
67.05507	35.6
69.03423	2.5
69.07071	28.6
71.04987	1.9
71.08633	2.5
79.05506	22.6
81.07061	75.6
83.08619	13.6
85.06566	1.8
91.05481	20.8
93.07050	45.6
95.04991	2.2
95.08612	100.0
96.08931	1.9
97.06536	6.0
97.10171	7.3
105.04512	2.1
105.07040	36.2
105.26658	1.7
107.08599	75.5
109.06559	3.2
109.10166	74.3
111.08079	4.5
111.11736	4.8
112.27848	1.4
117.07027	5.1
119.08585	52.2
119.09456	2.6
121.06515	1.4
121.10152	60.5
123.08077	3.0
123.11707	33.8
123.12564	2.6
125.09626	3.8
127.11182	1.8
129.07021	1.7
131.08597	9.7
133.10141	34.9
135.08047	2.1
135.11703	44.9
137.09605	1.9
137.13258	15.6
143.08565	5.1
144.09370	2.1
145.10149	18.1
147.11690	32.3
149.09625	3.1
149.13260	28.3
151.11162	3.0
151.14809	2.4
156.09306	1.5
157.10115	7.1
159.11710	20.8
161.09645	2.1
161.13242	25.3
163.11250	2.9
163.14833	20.6
165.12843	2.2
165.16400	2.2
169.10146	3.2
171.11627	6.9
173.13248	12.5
175.14865	17.3
177.12723	2.0
177.16373	12.5
179.14323	5.1
183.11671	3.6
185.13301	6.2
187.14841	10.9
189.12770	2.3
189.16393	21.9
191.17953	33.1
191.19557	2.4
195.11574	1.5
197.13281	3.4
199.14801	6.0
201.16397	15.5
203.14305	8.6
203.17970	24.3
205.15822	3.9
205.19511	11.2
207.17459	7.2
211.14763	2.2
213.16319	2.6
215.18007	9.4
217.15907	4.1
217.19548	22.2
219.17471	3.1
219.21111	5.3
219.24352	1.5
221.19063	2.1
225.16444	2.3
227.17961	4.3
229.19572	5.9
231.21165	3.3
233.19101	4.5
239.17978	2.0
241.19511	5.0
243.17393	1.7
243.21173	4.1
245.22717	4.3
253.19475	5.1
255.21187	4.4
257.22672	2.5
259.20856	1.8
259.24030	2.5
267.21036	2.0
271.20618	2.8
271.24176	2.8
281.22614	1.7
285.25858	2.3
297.25821	1.7
299.23886	1.6
299.27368	3.2
313.04626	1.6
318.41840	1.5
379.33667	1.7
389.32013	4.3
407.32660	16.5
407.36951	5.3
425.33179	34.3
425.38055	23.9
430.55008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20457	1.5
53.03938	2.8
55.05513	15.0
57.07057	7.1
58.48344	2.0
65.03941	2.0
67.05164	2.4
67.05505	34.5
69.06769	1.8
69.07067	21.5
71.08623	2.0
72.87457	1.7
79.05490	20.6
81.07057	65.0
83.04986	1.9
83.08626	11.9
91.05466	19.6
93.07043	45.1
93.44523	1.4
95.04926	2.3
95.08607	100.0
95.88963	1.6
97.06524	6.5
97.10168	7.5
105.07032	37.6
107.08598	62.7
108.87077	1.6
109.06467	2.2
109.10157	65.7
111.08086	3.9
111.11718	5.3
117.06998	4.1
119.08586	40.7
121.10145	54.8
123.08044	4.6
123.11704	29.3
125.09624	4.2
131.08582	10.1
133.10127	36.4
135.08037	3.6
135.11694	43.9
137.13260	19.2
143.08539	5.1
145.10114	13.8
147.11679	34.2
149.09602	2.4
149.13249	30.5
151.11206	3.0
151.14822	3.9
157.10124	6.5
159.11687	19.1
160.12364	1.9
161.09653	2.0
161.13264	30.9
163.11162	2.6
163.14832	22.5
169.10106	2.3
171.11691	6.1
173.13257	13.1
173.25592	2.0
175.14828	18.3
177.12720	2.0
177.16386	8.4
179.14317	3.7
179.17874	2.3
183.11633	3.9
185.13202	5.8
186.13966	2.0
187.14850	11.3
189.12793	3.1
189.16362	21.8
191.14218	3.4
191.17957	32.5
197.13330	2.7
199.14818	5.3
201.12601	1.6
201.16365	16.3
203.14259	8.3
203.17961	23.8
205.15924	5.5
205.19499	8.8
207.17467	6.2
211.14783	2.4
213.16359	5.7
215.14232	2.0
215.17949	9.0
217.15901	4.5
217.19475	22.3
219.17360	4.8
219.21072	2.5
227.17932	4.1
229.07419	2.1
229.19485	5.6
231.17458	2.2
231.21063	3.3
241.19449	4.0
243.21042	4.5
245.22748	3.4
253.19521	3.1
255.20993	3.3
257.22693	3.7
267.21030	2.0
271.20462	2.5
271.23993	1.9
285.22165	2.3
376.70602	1.8
378.92529	1.6
389.32214	6.3
407.32550	19.0
407.37463	3.9
425.33066	31.8
425.37912	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	425.3413
Annotation	Maragenin II
Peak:m/z	Relative Intensity
50.37175	3.0
53.03952	3.9
55.05503	15.8
55.42942	3.0
57.69838	3.1
67.05502	18.5
69.07069	22.5
69.46883	5.9
69.47279	24.7
71.04987	4.0
79.05507	23.6
81.07053	49.9
83.08624	7.4
85.02874	7.0
91.05476	30.6
93.07049	68.7
95.08039	5.4
95.08608	62.2
97.06544	5.9
99.08090	32.1
105.07030	64.4
107.08600	100.0
109.10160	34.7
111.08054	3.8
111.11674	3.2
117.07002	14.6
119.07780	5.3
119.08580	74.6
121.10124	42.1
123.11721	18.0
127.07569	5.2
129.05453	4.2
129.06953	8.6
131.08563	27.7
133.10133	43.8
135.11687	31.5
137.13271	6.1
142.07788	4.7
143.08556	27.9
144.09338	3.7
145.10123	37.3
147.11694	75.3
149.09532	3.3
149.13254	19.5
155.08540	9.5
156.09262	3.9
157.10139	41.9
158.10764	4.1
159.11685	44.4
160.38467	3.4
161.13264	25.9
163.11140	5.6
163.14809	11.2
165.12646	4.4
169.10120	12.5
170.10915	3.6
171.11711	29.4
173.13293	31.7
175.14845	23.6
177.16463	7.5
179.14275	6.3
183.11673	23.4
185.13239	23.0
187.14827	27.7
189.16455	19.5
191.17960	11.4
196.12383	3.4
197.13245	8.7
199.14832	32.4
201.16397	26.7
203.14343	6.0
203.17937	10.5
203.97662	3.1
205.15854	8.9
207.17337	5.1
211.14806	9.4
213.16435	16.9
215.17920	9.8
217.15916	8.3
217.19394	4.5
219.17531	3.8
225.16391	5.6
227.17992	7.6
229.19504	10.2
231.17480	3.9
235.17026	5.6
239.17853	5.4
241.19522	7.4
245.19069	7.0
253.19450	8.7
255.21208	3.7
259.20648	5.9
261.28613	3.3
261.74313	3.3
265.19379	3.7
267.21127	7.8
271.20636	7.6
279.21121	4.3
285.22183	35.5
328.84430	4.3
335.27344	9.1
353.28357	37.6
367.29895	6.3
389.31906	6.6
407.33182	56.2
425.21310	11.0
425.34134	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	425.3416
Annotation	Maragenin II
Peak:m/z	Relative Intensity
55.05510	16.1
57.07059	6.4
67.05509	21.3
69.07068	17.5
69.80507	2.8
71.27576	5.9
79.05496	30.4
81.07056	46.8
83.08620	7.6
85.02872	4.3
85.06541	3.8
91.05479	31.9
93.07047	66.5
95.04968	3.5
95.08036	4.9
95.08607	75.9
97.06518	4.3
97.10171	4.1
99.08105	23.9
105.07037	65.9
107.08599	100.0
109.06497	4.5
109.10162	40.2
111.08053	6.6
117.07041	14.9
118.13210	2.9
119.08581	85.6
121.10146	40.1
123.08105	4.5
123.11684	16.9
128.06226	4.5
129.06982	6.8
129.47226	2.8
131.08577	37.9
133.10127	51.5
135.11717	38.5
137.13234	8.1
141.07034	4.4
142.07803	10.1
143.08548	26.0
144.09399	3.5
145.10123	47.6
147.11688	87.4
149.09630	4.3
149.13231	15.1
155.08606	9.4
155.72209	2.9
156.09329	8.6
157.10138	41.1
158.10660	3.6
159.11710	55.5
161.13263	29.8
163.14801	12.1
168.09375	4.9
169.10216	14.6
170.10860	5.0
171.11711	33.3
173.13272	44.8
175.14844	24.5
177.12688	4.0
177.16324	8.5
179.14336	12.4
182.10901	3.3
183.11703	24.5
185.13240	25.0
187.14819	33.9
189.12788	5.2
189.16380	27.2
191.14275	6.0
191.17931	10.1
197.13266	13.7
199.14839	40.4
201.16350	22.8
203.14322	12.0
203.17999	11.9
205.15939	9.2
207.17397	9.6
209.13234	4.0
211.14819	12.2
213.16406	19.3
215.17906	11.1
217.15892	11.3
217.19464	6.1
219.17493	3.4
223.14772	3.3
225.16397	8.7
226.17433	3.2
226.97659	3.4
227.17921	11.4
229.16005	3.1
229.19524	10.8
231.17448	5.0
235.16974	4.2
237.16512	3.0
239.18048	3.4
241.19463	5.8
243.21164	4.8
245.18979	6.6
251.18001	4.7
253.19583	11.6
255.21130	4.1
259.20596	6.3
267.21106	11.3
271.20593	10.2
277.19653	3.5
285.22104	41.2
311.23685	3.4
335.27368	10.8
353.28412	42.8
389.31924	7.6
407.33066	66.4
408.33524	4.8
425.28857	5.6
425.34143	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	Maragenin II
Peak:m/z	Relative Intensity
53.03941	4.3
54.07115	2.1
55.01860	2.5
55.05506	15.4
56.00269	2.1
56.99286	2.0
57.07072	6.2
59.04998	2.3
60.58907	2.2
65.03937	2.8
67.05505	31.1
69.03420	5.1
69.07067	22.1
71.04976	2.3
71.08620	2.2
71.40573	3.9
72.50922	2.2
72.85477	2.3
79.05502	26.3
81.03396	3.7
81.07059	66.3
83.04958	2.9
83.08620	9.4
85.02911	3.8
85.06525	5.3
91.04955	3.3
91.05480	33.8
93.07046	70.5
95.04966	8.1
95.08607	81.1
96.08945	4.8
97.02898	2.6
97.06536	6.0
97.10172	5.2
99.08093	21.8
104.92381	2.2
105.04556	2.9
105.07034	56.6
106.07325	2.2
107.08596	100.0
109.06503	3.0
109.09441	4.9
109.10158	64.5
110.10593	3.1
111.08068	6.0
117.07028	7.5
119.04925	10.7
119.08582	74.2
120.08907	2.5
121.06497	4.0
121.10139	49.4
123.11707	23.1
127.07552	3.6
128.06218	5.2
129.07010	7.4
131.08585	36.2
133.06491	6.7
133.10129	46.5
135.08083	4.4
135.11699	39.8
137.06000	3.9
137.13239	10.8
142.07768	6.8
143.08566	22.2
145.06517	3.3
145.10132	37.5
147.08012	4.3
147.11685	63.5
149.09624	3.5
149.13260	25.9
151.07558	3.0
155.08521	7.3
156.09369	8.5
157.10118	38.2
158.10834	4.6
159.08000	4.2
159.11696	43.3
161.09608	16.5
161.13274	31.1
163.11168	4.9
163.14813	12.1
165.09064	3.0
168.09340	2.7
169.10139	13.8
170.10867	3.5
171.11684	23.6
172.12355	4.1
173.13261	38.6
175.11191	3.3
175.14848	17.2
177.16402	8.5
179.14267	9.3
183.11656	19.0
184.12332	2.3
185.09633	5.4
185.11856	2.7
185.13281	15.8
187.11186	3.9
187.14822	17.1
189.12880	2.6
189.16374	26.7
190.16766	2.3
191.14229	3.3
191.17935	27.4
193.15977	2.7
195.11615	3.8
197.13293	12.9
199.11156	3.3
199.14832	35.9
201.12814	2.5
201.16327	20.9
203.10692	30.8
203.14325	7.2
203.17963	10.8
205.15895	3.0
207.17509	3.5
209.13300	4.8
211.14801	8.2
213.16406	16.5
215.18028	12.6
217.12248	5.2
217.15874	4.5
217.19498	12.6
219.17480	3.8
223.14838	3.8
225.16345	6.5
227.18036	12.2
229.19496	6.5
231.17456	3.8
231.21147	3.9
235.16899	4.2
237.16374	3.9
239.17955	4.8
241.19499	7.4
243.21130	4.0
245.19019	4.0
251.18114	3.1
253.19498	7.7
255.21030	2.8
257.19037	5.1
259.20575	5.7
267.21133	9.5
271.20560	6.3
273.18628	4.2
285.22150	34.4
287.19904	3.7
319.24487	2.8
323.23535	4.2
335.27301	8.1
353.28360	27.6
379.33630	5.6
389.32098	6.1
407.33401	42.6
425.30075	13.3
425.34497	68.4
426.34506	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	425.3414
Annotation	Maragenin II
Peak:m/z	Relative Intensity
50.17807	2.5
53.03952	5.4
55.05510	15.8
56.90935	2.2
57.03416	2.0
57.07079	5.6
67.05503	22.2
69.03418	2.9
69.07078	21.1
70.09672	9.3
77.06763	2.4
79.05496	24.0
81.03391	4.0
81.07061	42.0
83.08620	7.5
85.02859	4.6
85.06519	4.3
91.05477	32.5
93.07047	58.3
93.74089	2.4
95.04977	3.2
95.08608	62.6
96.91853	2.3
98.21439	4.1
99.08085	23.5
105.07027	53.6
107.08596	86.7
108.64275	2.2
109.06552	4.5
109.10158	32.3
109.64614	2.3
111.08105	4.3
115.05514	3.5
117.07034	10.7
119.08582	75.5
120.08921	2.5
121.10139	44.1
123.08135	3.5
123.11701	14.2
128.06181	3.5
129.06990	8.0
130.07857	3.0
130.81783	2.5
131.08565	31.6
133.10123	45.3
135.08080	2.5
135.11703	34.4
137.13278	7.3
141.06995	4.4
142.07802	7.0
143.08578	26.9
144.09361	3.0
145.10136	47.2
147.11696	64.9
149.13264	12.6
151.07483	2.8
153.12711	3.7
155.08540	7.1
156.09352	5.8
157.10121	34.0
159.11699	47.4
161.13272	33.9
163.11143	5.1
163.14781	14.3
165.12747	3.3
169.10065	13.8
170.10883	4.1
171.11697	21.4
173.13242	39.3
175.11165	4.3
175.14812	24.2
177.12782	5.2
177.16367	7.1
179.14360	9.6
183.11708	22.1
185.13231	22.9
187.14839	30.1
189.12825	6.0
189.16418	23.4
191.14281	4.3
191.17952	7.3
195.11752	3.0
197.13286	9.2
199.14839	40.8
201.16396	23.0
203.14320	8.1
203.17918	12.6
205.15862	6.1
207.17496	8.6
211.14865	11.3
213.16411	14.7
215.14320	3.6
215.17932	7.0
217.15904	6.8
217.19510	4.3
219.17390	4.2
223.14897	3.3
225.16475	6.4
227.17947	11.8
229.19547	7.9
231.17444	3.3
235.16885	2.9
237.16356	3.2
239.17966	5.4
241.19545	4.2
245.19048	4.0
247.20667	2.5
251.18044	4.0
253.19476	13.8
255.21153	6.1
259.20560	4.1
267.21228	7.0
271.20596	15.6
273.21997	4.6
279.21152	3.2
285.22110	41.4
285.66425	2.8
297.21786	2.8
335.27295	10.8
345.20709	2.9
353.28409	35.6
389.32141	5.2
407.33173	57.8
408.33588	2.6
425.21271	5.5
425.34195	100.0
426.34790	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.14801	2.3
53.03934	3.4
55.05513	13.9
57.03429	5.2
57.07065	3.6
67.05505	24.2
69.03400	2.1
69.07063	15.5
69.87039	3.3
69.87463	8.4
71.04961	2.4
77.55373	1.8
79.05493	19.9
81.07056	53.8
83.04999	2.7
83.08618	8.2
89.41499	1.8
91.05476	27.7
93.07046	45.7
95.04971	5.4
95.08607	66.3
97.06521	6.0
97.10174	5.4
98.21524	2.4
99.08097	3.5
100.16821	1.8
105.07030	75.3
107.08591	63.4
109.06541	3.1
109.10162	32.0
111.08072	6.8
115.03849	1.9
117.07012	13.5
118.96419	1.9
119.08577	66.1
121.10141	41.6
122.10486	2.5
123.08070	4.3
123.11713	16.9
128.06218	4.5
129.06979	14.1
130.07744	2.8
131.08565	37.5
133.10132	43.9
135.08104	1.9
135.11694	34.5
137.09608	3.1
137.13228	4.7
141.07050	2.6
142.07751	12.6
143.08554	34.3
144.09387	3.2
145.10115	49.8
147.11684	49.4
149.13268	17.1
151.11130	2.5
155.08568	8.1
156.09454	4.7
157.10132	38.2
158.10880	4.4
159.11688	39.3
160.12161	2.1
161.09636	3.3
161.13255	37.4
163.11223	3.0
163.14807	15.0
165.12724	13.9
168.09268	2.5
169.10150	8.2
170.10950	6.7
171.11685	25.0
173.13263	28.0
175.11259	1.9
175.14818	23.0
177.12761	4.4
177.16354	13.7
179.14284	24.1
181.10094	3.1
182.10793	2.5
183.11633	13.4
185.13261	44.1
187.14827	35.3
189.12769	7.3
189.16379	37.7
191.14333	7.2
191.17885	10.4
193.15842	4.6
195.11732	4.4
196.12431	2.4
197.13187	10.3
199.14816	28.5
201.16364	18.5
203.14311	44.8
203.17905	16.8
205.15858	22.8
207.17464	39.2
209.13245	3.5
211.14784	9.8
213.16380	11.4
215.14474	2.9
215.18027	8.4
217.15924	19.9
217.19481	2.4
219.17458	10.8
221.19008	2.6
223.14667	2.5
225.16441	7.0
226.17188	2.3
227.17946	7.6
229.15897	3.1
229.19551	6.2
231.17468	6.7
233.19049	2.8
239.17818	2.4
241.19553	7.1
243.17502	2.7
243.21088	2.6
245.19095	9.1
247.20589	2.3
253.19513	6.3
255.20988	4.4
257.18997	3.9
259.20621	4.4
267.21005	4.2
269.19070	2.7
271.20547	15.4
273.22342	10.5
283.20682	4.7
285.22055	14.5
293.22357	2.5
337.25177	2.4
353.28427	4.8
367.30136	6.6
389.31952	6.0
407.33209	35.7
408.33401	2.9
425.21576	4.4
425.34152	100.0
426.34216	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.01874	3.4
55.05522	18.0
57.03431	6.9
61.02902	3.3
63.52538	2.6
67.05507	18.4
67.53719	3.0
69.03420	6.4
69.07071	17.0
69.42677	23.4
73.02921	14.3
79.05513	15.9
81.03428	3.4
81.07058	52.2
83.08602	6.8
85.02901	20.5
91.05476	23.8
93.07047	42.8
95.04969	5.1
95.08606	62.8
97.02892	14.7
97.10155	15.4
98.21466	4.9
105.07037	72.8
107.08592	56.8
109.02872	4.0
109.06524	5.4
109.10139	40.6
111.08079	5.5
115.03936	5.9
115.05425	3.2
116.06290	4.1
117.07031	7.9
119.08583	57.2
121.10136	39.8
123.11665	14.4
125.09590	4.7
127.03901	9.0
128.06177	4.1
129.06985	12.1
131.08554	44.5
133.04948	7.5
133.10132	33.2
135.08002	4.1
135.11685	38.6
137.13278	4.2
139.11255	3.0
142.07797	10.9
143.08549	33.3
144.09343	6.5
145.04961	11.0
145.10124	58.8
147.11700	39.8
149.13342	13.9
155.08574	6.7
156.09348	5.2
157.10123	37.6
158.10873	3.4
159.11691	32.2
161.13239	40.9
161.17145	2.6
163.06046	3.9
163.14821	9.8
165.12790	13.6
169.10133	8.6
170.10925	7.8
171.11671	18.6
173.13266	21.2
175.14796	24.3
177.12762	6.1
177.16423	10.6
179.14310	24.2
183.11678	8.5
184.12553	3.2
185.13243	46.8
187.14833	32.3
189.12711	4.0
189.16373	34.8
191.14360	4.9
191.17969	6.9
193.16003	4.1
197.13274	9.6
199.14859	25.0
201.16393	17.7
203.14340	40.8
203.17905	15.2
205.15887	22.2
207.17448	45.7
211.14853	8.1
213.16347	7.5
215.18008	9.6
217.15877	23.6
219.17429	15.0
221.18997	3.7
227.18021	10.5
229.15959	4.6
229.19501	9.9
231.17403	8.7
239.17783	3.3
241.19572	3.8
245.19073	8.4
253.19583	4.0
259.20697	6.6
267.21027	4.7
271.20584	20.7
273.22156	10.7
285.22174	12.4
367.30261	5.2
389.32004	6.4
407.33051	34.4
425.21274	3.6
425.25870	4.1
425.34171	100.0
426.34531	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03949	3.3
55.05513	11.0
57.03441	2.4
57.07069	3.3
67.05501	18.6
69.07065	16.4
69.26427	19.9
71.04979	2.8
73.02888	1.7
79.05486	17.8
81.07063	44.5
83.08607	8.5
83.27124	1.7
85.02856	4.4
85.06567	2.3
91.05482	29.5
93.06462	2.5
93.07043	36.6
95.04984	3.6
95.08611	57.9
97.10146	3.3
98.20756	3.8
99.44416	1.8
103.03973	2.4
103.05527	2.1
105.07030	78.6
107.08599	52.1
109.06497	3.3
109.10158	27.6
110.12573	1.8
111.08066	5.5
112.58243	1.7
115.05421	3.6
117.07043	14.4
119.08580	63.9
121.10141	34.6
123.08035	3.3
123.11701	12.6
127.03913	2.9
128.06180	4.6
129.07004	11.9
130.94829	2.3
131.08566	36.0
133.10130	38.3
135.11696	34.5
137.09641	2.2
137.13217	3.1
141.06996	1.9
142.07790	8.3
143.08549	28.6
144.09319	3.8
145.04944	2.3
145.10120	49.2
147.11694	44.6
149.13274	12.0
151.11177	4.0
151.14752	2.2
155.08548	7.7
156.09319	6.8
157.10124	32.6
159.11691	24.6
161.13263	32.7
163.11201	2.4
163.14815	12.8
165.09111	2.6
165.12726	11.3
168.09285	3.3
169.10115	10.1
170.10918	8.5
171.11681	18.1
173.13272	24.5
175.14839	21.7
177.12741	6.3
177.16393	10.3
179.14302	24.2
181.10139	2.2
183.11687	9.3
184.12508	2.3
185.13251	47.1
186.13625	2.8
187.14827	28.4
189.12750	6.4
189.16385	38.9
191.14334	7.4
191.17958	8.5
193.15855	5.4
197.13260	7.6
199.14816	26.6
201.16382	13.1
203.14313	45.5
203.17902	12.2
205.15875	23.8
207.17439	48.5
208.17827	2.0
211.14784	7.5
213.16403	8.9
215.14355	2.2
215.17973	8.4
217.15886	21.5
217.19464	3.1
219.17487	11.3
223.14851	3.5
225.16409	6.5
227.17924	6.7
229.15891	3.5
229.19530	5.7
231.17378	6.6
233.19109	2.4
239.17938	2.6
241.19719	3.0
243.17413	3.6
243.21071	3.3
245.19019	6.6
253.19553	7.6
255.21173	5.3
257.19022	4.0
259.20648	4.4
267.21143	2.2
269.19208	3.0
269.22635	2.8
271.20581	15.0
273.22122	14.6
283.20346	2.8
285.22067	10.4
291.03671	1.7
311.23804	3.0
367.29974	5.1
389.32031	5.2
395.33203	2.9
407.33011	31.1
425.34155	100.0
426.34613	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03923	1.0
54.77356	0.9
55.05512	5.4
55.54431	1.0
67.05508	9.2
69.07061	6.1
69.99763	1.0
71.05025	1.0
71.05374	2.0
79.05502	4.6
81.07057	12.3
83.08614	3.9
91.05475	3.9
93.07042	12.5
95.08035	1.8
95.08609	24.6
95.37827	1.0
97.10177	1.2
99.08124	1.2
100.01741	0.9
105.07035	5.9
107.08602	20.8
109.06500	0.9
109.10161	20.3
111.08105	6.0
117.07062	1.0
119.08575	12.6
121.10153	16.8
123.04191	1.0
123.08073	1.8
123.11715	5.4
131.08560	2.8
133.10141	10.2
135.08015	2.2
135.11678	11.9
137.13255	2.5
141.06760	0.9
143.08582	1.2
145.10132	4.1
147.08093	1.8
147.11676	8.1
149.13274	5.1
151.11163	1.5
153.12772	1.0
157.10147	3.7
159.11720	7.0
161.09598	1.3
161.13258	7.5
163.14886	5.0
167.30823	1.2
171.11697	2.5
171.21877	0.9
173.13277	4.4
175.11218	2.1
175.14876	7.4
175.30791	1.0
177.12640	1.4
177.16406	1.8
179.14442	2.2
185.13289	4.5
187.14842	3.4
189.12796	2.2
189.16467	6.6
191.17981	4.5
197.13231	1.3
199.14848	2.9
201.12730	1.4
201.16399	2.7
203.14319	6.4
203.17947	6.6
205.15877	3.2
207.17482	3.3
207.88440	1.0
215.18007	2.6
217.15872	10.5
217.19504	4.0
227.18054	1.3
229.15845	1.3
231.17476	1.3
238.23938	0.9
243.17491	1.0
245.19014	3.5
259.20575	1.5
271.20599	1.1
285.22272	2.0
389.32114	1.1
407.33063	9.1
425.34131	100.0
426.34311	3.7
447.11536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05512	4.1
57.03426	0.9
67.05516	5.4
67.05815	1.1
69.07065	5.3
69.44476	0.8
69.64547	2.7
69.64955	2.8
71.75829	0.9
74.00141	0.9
79.05473	4.3
81.07062	8.5
83.04990	1.2
83.08618	3.5
91.05479	6.4
92.52921	0.8
93.07053	10.2
95.04949	0.9
95.08613	17.1
97.06557	1.7
105.07020	16.5
107.08595	15.9
109.06543	2.3
109.10165	10.1
111.08120	1.6
112.80736	0.8
115.78027	0.7
116.38935	1.1
117.06985	0.9
119.08580	27.9
121.10134	10.4
123.08067	1.2
123.11706	5.0
123.12466	0.8
128.06224	1.5
128.76537	0.7
129.07004	3.1
131.08578	5.1
133.06523	0.9
133.10126	17.1
135.11690	16.0
137.09586	1.1
137.13248	1.7
142.07764	1.3
143.08571	12.4
145.10144	8.2
147.08061	1.5
147.11688	12.0
149.13264	5.7
151.11214	1.5
155.08530	1.8
156.09325	1.5
157.10143	11.0
159.08031	0.9
159.11688	7.9
161.09650	2.1
161.13263	7.3
163.14774	5.1
165.12863	1.2
169.10149	1.5
170.10968	4.8
171.11693	4.3
173.13274	4.9
175.11188	1.6
175.14813	7.5
176.40532	0.8
177.12787	2.9
177.16313	1.5
183.11656	3.2
184.12512	1.4
185.13261	55.7
186.13725	1.2
187.14838	4.5
189.12737	7.5
189.16393	23.9
190.16887	1.3
191.18080	1.2
197.13243	1.9
199.14818	8.2
201.16409	3.8
203.14325	83.4
203.17998	3.3
204.14571	1.3
207.17441	45.3
211.14865	1.8
213.16411	3.3
215.17937	1.9
217.15800	7.6
217.19449	1.1
221.19046	2.7
227.18083	1.7
228.14709	0.9
239.17918	1.5
253.19493	3.2
255.21262	1.3
257.22577	1.4
267.21194	1.0
274.15320	0.9
291.23068	1.8
359.14346	0.9
383.29565	1.3
389.31955	3.2
407.32971	11.1
425.34143	100.0
426.34564	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	425.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
54.07636	2.0
55.05509	20.2
57.07071	5.8
67.05506	26.2
69.03464	2.3
69.07071	30.2
69.42278	17.4
71.05008	3.0
75.18663	1.9
77.03891	2.6
79.05496	30.3
81.07058	72.0
83.04980	4.8
83.08620	13.8
85.06541	2.7
91.05488	32.0
93.07049	55.0
95.04974	5.5
95.08606	100.0
96.08972	1.9
97.06541	3.4
97.10175	7.2
99.99046	2.0
104.91473	1.9
105.07033	73.7
105.80283	2.2
107.08596	80.1
107.29930	1.9
109.06522	9.3
109.10148	47.5
111.08079	8.2
111.11716	2.9
117.07037	10.8
119.08578	85.5
121.06511	8.7
121.10143	53.6
123.08048	6.3
123.11714	22.8
125.09619	3.4
125.94440	1.9
128.06209	4.5
129.06987	7.7
130.07809	2.2
131.08574	25.2
133.06584	2.9
133.10129	48.4
135.08049	10.0
135.11688	40.6
137.09628	2.7
137.13223	14.2
139.11232	2.7
139.78793	2.2
141.07034	2.9
142.07782	5.0
143.08563	17.3
144.09315	5.0
145.10124	35.1
147.08072	7.7
147.11691	41.6
147.12788	3.8
149.09642	5.8
149.12158	3.2
149.13277	35.9
151.11140	2.7
153.14455	2.4
155.08620	4.6
156.09355	7.0
157.10144	19.0
159.08156	3.9
159.11705	39.7
161.09636	9.1
161.13266	40.1
163.11205	4.9
163.14835	21.1
169.10182	6.2
170.10962	2.8
171.11674	26.2
173.09608	3.7
173.13278	23.9
175.11255	4.6
175.14828	43.6
177.12729	4.6
177.16409	14.5
183.11639	11.7
185.13220	18.5
187.11205	4.3
187.14824	25.4
189.12755	16.7
189.16374	21.0
191.14333	6.8
191.17966	30.6
195.11687	4.2
197.13254	6.0
199.14761	13.0
201.12846	4.9
201.16374	14.8
203.14340	22.6
203.17970	13.5
205.15837	13.4
205.19456	4.4
207.13768	3.5
207.17490	8.9
211.14813	5.7
213.12862	2.5
213.16426	8.2
215.14232	3.0
215.17964	8.3
217.15895	9.3
217.19543	18.8
219.17583	5.9
221.13396	2.5
221.19055	3.7
223.14769	3.6
225.16438	5.0
227.17963	11.9
229.19600	7.3
231.13898	2.2
231.17461	3.7
231.43311	2.3
233.19099	2.8
235.13264	29.3
235.20470	2.6
239.17926	5.5
241.15921	4.0
241.19627	5.9
243.17529	3.9
243.21056	5.6
245.18958	3.8
253.15799	2.5
253.19550	6.1
255.20958	4.4
257.18912	3.6
257.22549	2.9
259.20587	2.6
261.22229	3.1
265.19565	3.6
267.21051	3.9
269.19016	2.3
273.18616	4.5
281.22784	2.4
285.22076	2.8
287.19934	3.1
297.25452	2.4
361.28760	6.5
363.26990	4.5
379.26181	2.8
379.29980	19.9
379.33896	2.9
381.27716	2.9
389.27792	10.8
389.32666	3.2
407.29129	43.9
407.37445	3.2
425.29492	57.4
425.34494	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	425.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01866	8.4
55.05505	9.7
56.70882	2.4
57.03429	6.7
57.07067	7.3
61.02919	3.0
67.05506	18.3
68.99782	7.9
69.03437	27.4
69.07062	13.9
70.02058	2.6
71.04994	6.2
71.61742	3.5
71.62109	3.7
73.02921	4.0
73.07410	2.3
73.15533	2.2
79.05490	23.4
79.25954	2.6
81.03425	18.8
81.07054	66.0
81.07515	5.5
83.04988	6.4
83.08606	3.8
85.02910	33.9
87.00839	16.6
91.05489	18.7
93.07039	31.6
95.04970	100.0
95.08608	62.2
97.02890	15.7
97.06518	10.2
97.10168	4.0
99.04456	8.2
103.03938	5.8
105.01884	6.9
105.07032	29.1
107.04953	5.2
107.08602	37.9
109.02880	18.7
109.06534	19.2
109.10164	22.0
111.04454	7.3
111.08060	4.8
115.03936	3.9
117.07040	8.9
119.08579	31.0
121.06507	8.4
121.10140	35.9
123.08067	8.2
123.11724	18.7
125.05973	4.8
125.09753	2.4
127.03928	28.5
129.01846	8.4
131.08569	10.8
133.06497	4.5
133.10149	26.2
135.04437	4.5
135.08058	5.8
135.11684	24.4
137.05981	9.3
137.09584	3.6
137.13263	28.0
143.08553	9.4
145.05046	3.3
145.10152	13.1
147.02925	4.4
147.08055	5.5
147.11699	9.5
149.05959	2.9
149.09683	3.7
149.13258	5.5
151.07550	7.5
156.09402	4.1
157.10159	9.8
159.07928	2.8
159.11681	12.0
161.09615	5.6
161.13248	5.8
163.07574	6.6
163.11180	2.5
163.14827	5.2
165.09196	4.1
169.10121	4.4
170.10938	2.7
171.11723	6.1
173.13260	6.0
175.11226	2.8
175.14859	25.0
177.16418	10.1
179.07056	6.9
185.13281	4.0
187.11154	4.4
187.14847	13.7
189.03960	5.4
189.16406	9.6
191.17955	4.2
199.14871	4.9
201.16408	6.8
205.15796	3.0
211.14729	2.8
213.04105	4.3
213.16226	3.0
217.15887	7.1
219.17426	10.0
229.19519	2.6
267.17441	4.6
283.08151	8.5
285.18460	9.6
303.19769	4.7
303.27844	2.5
389.19543	4.9
407.20795	6.2
425.16800	4.5
425.21881	15.7
425.34015	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16399	0.8
68.59808	0.8
69.03464	1.0
71.59496	1.1
71.59894	1.4
82.99871	2.7
85.02897	1.5
97.02876	1.3
101.00879	16.6
109.02882	1.2
113.00867	3.2
119.01920	17.1
119.02695	1.5
127.02448	4.9
131.01898	7.3
136.07552	0.9
137.02971	1.1
139.02446	1.3
143.00813	1.9
143.01900	34.1
145.03488	10.7
149.03020	1.2
155.01895	16.4
157.03471	8.9
160.02084	1.5
161.02959	36.6
167.01895	8.6
169.03464	3.8
171.05048	2.8
173.01524	1.5
173.02971	15.1
173.48155	1.0
175.04584	3.2
179.01884	4.4
179.04105	1.1
183.04994	1.1
184.04646	1.4
185.02966	37.4
187.04565	5.3
191.04027	3.9
197.02986	12.2
203.04030	13.4
208.04466	1.0
213.06125	1.0
215.03984	7.4
221.05066	3.6
227.03987	8.2
227.40891	1.1
239.03998	0.9
245.05075	100.0
246.05272	2.0
249.03696	0.9
257.05038	6.2
263.06122	22.1
275.06110	16.2
293.07211	3.7
293.66763	0.9
301.07697	1.5
305.07227	10.0
323.02710	1.1
335.08224	2.8
365.09280	6.4
389.05811	1.0
392.76563	0.9
425.06369	3.6
425.11456	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	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
55.40382	0.6
69.82427	0.5
70.14368	1.4
70.14770	0.7
76.82388	0.5
81.07051	0.5
91.05474	2.3
95.04996	0.7
95.46427	0.6
98.97581	1.3
134.42084	0.6
155.01878	0.7
164.07069	1.1
188.08186	1.3
210.15718	0.9
219.01878	0.6
237.02827	0.9
283.07864	0.5
293.10147	0.9
327.07626	0.6
348.52390	0.6
425.14163	100.0
426.14536	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45776	0.3
56.96547	0.6
69.35581	0.7
69.35983	2.4
78.80302	0.3
98.97581	7.0
113.04073	0.3
116.98613	4.4
123.88452	0.3
134.99644	1.3
168.39505	0.4
177.00905	0.6
180.96913	0.7
192.98912	1.2
198.97899	1.1
216.98952	6.6
217.98965	0.5
219.02020	0.8
221.01672	0.4
222.98042	1.2
226.89471	0.5
235.00002	14.4
236.00029	1.0
240.98917	11.2
241.98936	1.0
243.02072	0.4
249.98700	0.5
253.01100	2.1
255.97549	0.4
258.99985	49.4
259.99960	5.1
261.00186	0.7
261.03113	1.2
263.02820	0.6
264.98822	4.0
273.98590	2.0
274.97705	0.6
277.01028	29.2
278.01120	3.5
279.01093	0.7
282.99985	100.0
284.00125	5.7
284.99963	0.8
285.96173	0.3
286.27850	0.4
291.99765	1.4
292.98663	0.3
298.97852	0.9
300.02393	0.4
300.72958	0.4
301.01050	99.1
301.31116	0.4
302.01163	6.6
303.01022	1.1
315.02698	0.5
316.98782	0.9
319.02032	3.1
324.02600	2.1
334.92444	0.4
359.00055	1.5
360.00354	0.4
364.99106	1.1
383.00397	1.6
384.00180	1.0
401.01224	4.9
402.01178	1.7
407.00037	6.0
415.92361	0.4
425.01151	52.3
426.01398	3.9
443.02243	91.9
444.02335	7.0
445.02216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04431	2.3
70.75488	4.6
70.99884	2.1
81.28963	1.9
82.99881	2.4
101.00890	18.6
102.53881	2.1
113.00863	4.0
119.01939	20.4
127.02469	2.8
131.01906	7.1
132.31389	2.2
133.03459	2.4
137.05980	2.6
143.01915	31.2
145.03455	11.6
155.01903	16.8
157.03473	15.1
160.02100	2.2
161.02956	34.0
167.01906	10.2
169.03503	5.8
173.02969	20.2
175.04498	6.7
179.01939	2.8
185.02956	39.5
187.04541	7.0
191.04100	2.1
197.02975	17.0
203.04076	12.4
209.02824	2.1
215.03983	4.9
218.98450	1.9
227.04034	4.8
239.04189	2.7
245.05087	100.0
257.05087	7.1
263.06143	24.8
274.84756	2.3
275.06088	20.0
285.76181	2.3
293.07233	4.1
305.07245	15.6
317.07278	3.9
335.08359	5.1
365.09213	7.4
403.23856	2.3
407.06497	2.4
425.06442	8.9
425.11386	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	19.0
56.96559	7.7
57.03405	5.9
61.84325	2.6
69.03428	7.8
69.07067	5.2
70.93314	5.5
71.04982	5.0
79.05510	2.5
79.51824	2.8
81.07045	4.7
83.04975	13.1
83.08605	14.2
84.96014	3.8
85.02888	9.7
87.04450	2.8
91.05482	51.5
92.05811	5.0
93.07040	4.1
95.04974	40.1
95.08601	6.6
97.02919	3.4
97.06536	3.4
98.97586	18.3
99.04468	10.5
105.07040	5.4
107.08603	9.4
109.06537	4.8
109.10153	5.6
110.97585	3.9
111.08066	6.0
115.03973	3.3
116.98602	5.2
119.08570	3.2
121.10150	12.4
123.11710	3.5
125.09607	3.5
127.59457	2.7
128.98595	4.1
133.10121	11.1
136.07597	3.6
149.13197	3.4
151.11176	20.3
153.09084	16.5
158.99675	8.7
165.84123	3.1
167.14301	24.6
173.13292	4.8
177.00732	6.1
191.14305	6.0
209.15346	100.0
209.41507	2.7
214.08472	5.7
219.01807	7.6
223.09077	14.9
223.59264	4.4
225.08099	5.5
227.16389	14.0
232.09642	5.9
237.02866	4.0
288.84641	2.7
312.34836	2.9
325.13058	9.3
327.07593	10.9
334.13501	6.6
343.14279	6.3
358.14685	5.7
424.16583	5.9
425.14111	100.0
441.10629	21.2
442.11142	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.8
56.96557	5.8
59.44336	3.6
69.03433	10.9
69.07069	10.1
69.41431	33.2
79.05492	6.0
81.07053	10.7
83.04986	18.4
83.08625	17.5
85.02897	13.2
85.06568	4.2
87.04482	5.7
93.07037	15.0
95.04962	14.2
95.08592	8.0
97.02883	11.6
97.06509	5.9
98.97580	14.6
99.04445	3.8
105.07020	5.9
107.08598	21.0
109.06522	8.7
109.10157	8.9
111.08099	4.8
115.07552	9.9
116.98625	6.6
119.08585	7.7
121.10155	57.3
125.09654	5.5
127.03947	7.1
128.98653	4.8
131.08597	4.6
133.10127	10.8
135.11734	5.1
147.04449	6.4
151.11208	13.6
153.09079	7.4
153.12743	4.6
163.14777	14.9
167.14305	30.3
173.13242	11.7
191.14337	16.4
209.15359	100.0
219.01689	7.0
227.16316	10.7
237.02925	5.5
258.94608	4.1
283.97806	3.8
303.38806	4.1
333.82651	4.2
365.05350	5.2
446.78549	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14327	11.2
57.18519	10.9
64.06867	11.1
69.03416	13.8
71.60130	11.2
75.13886	11.4
78.87943	10.4
79.05450	12.9
81.07043	14.1
83.04957	12.9
85.02917	19.1
93.07074	13.2
95.04970	32.5
97.02869	12.6
98.97590	20.3
107.08611	24.9
109.06516	18.6
109.10165	16.3
115.07584	16.1
120.08187	12.8
121.10143	25.8
133.10127	28.6
134.35736	11.2
136.07555	15.1
147.34505	11.5
153.09148	20.4
163.04008	17.0
167.14326	21.4
173.13278	19.2
183.06894	10.9
191.14270	26.4
198.84442	11.5
209.15353	100.0
217.33945	14.8
227.16377	39.1
303.24323	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	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
67.04234	5.4
69.03429	7.2
70.90006	8.5
79.05498	5.4
81.03395	4.5
85.02910	27.0
87.04453	5.0
87.30531	3.5
91.05487	19.0
93.07019	6.7
94.07353	4.3
95.05010	3.6
97.02890	9.9
98.97591	9.5
103.05473	10.5
107.04958	62.4
110.18311	3.4
117.03434	4.3
121.02843	3.6
121.06516	15.4
125.01691	3.9
131.04929	16.6
133.02882	38.6
137.05972	26.0
137.06877	3.5
148.05159	5.0
149.06000	28.1
159.04416	13.9
163.03920	6.5
165.05482	36.3
167.07042	51.6
177.05478	82.5
184.09012	4.5
197.08113	83.6
202.10075	5.5
209.08102	100.0
219.01591	4.9
227.09190	31.1
318.84927	3.4
395.86899	3.5
418.57349	3.9
424.14990	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.7
57.03438	6.0
57.07080	7.7
67.05507	34.9
69.03426	4.8
69.07070	34.4
69.64704	22.6
79.05484	23.9
81.06630	6.0
81.07053	60.9
83.04980	4.7
83.08623	13.6
85.02901	3.8
91.05486	26.5
91.14462	3.9
92.11810	4.0
93.07047	52.2
95.04987	5.1
95.08610	100.0
96.89413	3.5
97.06543	8.2
97.10170	7.3
98.20779	4.9
105.07027	53.7
105.07674	5.1
107.08590	81.4
109.06487	3.9
109.10168	56.3
111.08097	8.1
117.06995	9.9
119.08582	76.9
121.06503	3.6
121.10143	58.9
123.08092	4.8
123.11725	26.9
130.07758	4.6
131.08571	28.2
133.10138	50.6
135.08022	7.1
135.11676	47.6
137.13268	13.0
140.47343	3.7
143.08530	17.6
144.09309	5.1
145.10106	59.7
147.08029	4.1
147.11682	48.3
149.13254	21.7
151.11108	5.3
157.08931	3.9
157.10054	22.7
158.10822	4.9
159.11716	49.9
161.13235	38.3
163.03920	11.7
163.11212	4.0
163.14796	20.8
169.10132	6.3
170.10742	4.9
171.11668	17.7
173.13266	37.6
175.14839	30.3
175.48672	3.9
177.16364	14.3
179.14307	6.0
183.11676	8.5
185.13295	16.1
187.11247	5.1
187.14819	29.5
189.12668	5.5
189.16354	43.1
191.14314	7.6
191.17960	27.0
197.13199	5.6
199.14897	13.1
201.12781	10.2
201.16409	39.0
203.14308	13.3
203.18005	42.6
205.15872	11.0
205.19528	5.8
207.17453	12.9
209.13303	5.2
211.14807	5.7
213.16434	11.6
215.14429	8.7
215.17955	49.3
217.15994	4.4
217.19460	9.4
225.16431	5.0
227.17992	7.8
229.19571	9.3
233.18898	9.1
239.18077	4.8
241.19595	8.9
243.21077	8.9
255.20912	5.4
257.22604	5.2
269.18954	4.1
269.22574	5.5
336.74487	4.5
405.31204	13.8
405.35443	13.1
423.23889	10.1
423.36789	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
53.25367	1.8
55.05515	13.8
57.07074	4.3
62.50035	1.6
63.64660	1.7
65.03951	2.3
67.05508	23.1
69.03436	2.4
69.07068	28.1
69.53181	3.2
69.53588	9.6
71.67038	1.7
77.03944	2.2
79.05495	18.6
81.07056	55.8
81.07506	3.1
83.04996	3.2
83.08616	9.7
85.02914	2.1
85.27299	1.8
91.05481	21.1
93.07049	41.7
93.07611	2.7
95.04980	2.9
95.08609	100.0
97.06503	1.7
97.10190	5.6
97.44915	1.9
98.97626	2.5
105.04554	2.0
105.07030	47.0
107.08591	56.3
109.06516	2.7
109.10157	49.2
111.08105	4.0
111.11764	3.9
115.05452	1.7
116.74849	2.0
117.06999	9.7
119.06113	1.8
119.08583	60.3
119.15303	1.9
121.10150	44.9
121.11018	2.5
123.08121	2.1
123.11708	21.4
125.09636	2.4
128.06262	3.1
129.07057	2.4
131.08559	25.5
131.09460	1.8
133.10123	39.7
133.11049	3.6
135.08057	2.5
135.11694	32.3
135.12665	2.1
137.09608	2.7
137.13239	13.3
143.07649	2.1
143.08542	9.8
144.09340	2.4
145.10100	34.8
147.11691	28.1
149.09683	1.9
149.13266	17.7
149.14194	1.8
151.14893	2.7
155.08559	4.9
157.10121	13.5
158.10976	1.9
158.40742	1.9
159.11693	38.9
160.12560	2.0
161.09645	2.4
161.13264	23.7
163.11247	2.1
163.14838	15.5
165.09065	2.1
169.10172	2.6
171.11658	9.7
173.13268	25.5
175.14819	20.0
177.12871	2.6
177.16406	11.4
179.14406	5.5
183.11761	4.1
185.13245	9.1
187.14839	19.5
187.16170	1.9
189.16409	23.2
191.14301	2.5
191.17921	25.1
193.16037	2.3
197.13278	3.9
199.14937	7.6
201.12764	3.0
201.16393	19.6
203.14485	2.4
203.17964	20.6
205.16072	2.3
205.19659	6.2
207.17435	4.5
211.14937	4.6
213.16386	9.1
215.17928	24.9
215.19867	2.1
217.19540	10.2
219.17468	2.8
227.18115	5.5
229.19635	8.1
231.17537	2.9
231.21208	3.3
233.19194	7.2
240.02237	2.3
241.19638	4.7
243.17560	2.5
243.21227	5.2
245.22908	2.6
249.14386	2.4
253.19504	4.7
255.21243	6.0
267.21252	2.4
269.22772	7.3
271.24411	2.2
273.22229	2.5
279.21030	2.1
281.22714	3.6
283.24289	4.3
285.22235	3.3
295.24289	3.2
297.25946	3.1
313.25592	1.9
399.57147	1.9
405.35406	19.0
423.24100	2.5
423.36536	71.5
424.37009	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96867	2.9
55.05508	21.3
57.03401	4.1
57.07052	5.6
67.05502	40.7
69.07053	23.7
69.39130	16.6
69.39536	3.5
71.04975	4.7
79.05488	26.2
81.07052	74.5
83.08630	15.5
85.06521	4.4
91.05470	22.7
93.07040	46.7
95.04955	4.9
95.08603	100.0
97.02865	11.6
97.06550	4.8
97.10162	7.5
98.20718	5.8
99.04443	3.9
99.08073	4.4
105.07024	44.0
107.08593	70.0
109.06497	9.3
109.09430	5.0
109.10152	53.1
111.08039	5.5
117.06992	7.0
119.07774	4.7
119.08573	64.7
121.09296	4.5
121.10131	58.1
123.08078	19.2
123.11697	20.8
127.03910	3.9
129.06990	5.0
131.08543	26.1
133.10120	45.7
135.08034	6.9
135.11679	40.6
137.09595	3.9
137.13216	8.2
142.07661	2.6
143.08537	9.6
144.09247	2.9
145.10109	34.0
147.10832	2.4
147.11688	28.6
149.13252	25.6
151.11110	3.7
151.14781	4.8
157.10143	16.2
159.11697	39.8
161.09645	3.9
161.13242	26.9
163.14835	17.6
169.10078	3.9
171.11676	12.0
173.13231	24.2
175.14821	20.6
177.12703	3.3
177.16360	13.2
179.14308	31.6
180.83466	2.6
183.11697	5.2
185.13260	10.5
187.14812	22.3
189.16388	29.1
191.14343	4.1
191.17914	20.3
193.15906	2.7
197.13316	3.9
199.14790	8.2
201.12662	2.9
201.16373	21.1
203.17947	21.5
205.15843	4.7
205.19449	4.0
207.17352	8.2
213.16365	8.9
215.17943	24.1
217.15814	2.7
217.19530	8.6
219.17444	2.7
225.16377	5.4
227.17937	6.2
229.19490	7.4
233.18903	5.3
239.17934	3.1
241.19482	4.8
243.21040	10.0
255.21123	3.8
257.19113	3.3
257.22644	4.6
261.22141	5.1
267.17651	3.0
267.20975	6.3
269.22641	8.4
283.24097	5.3
285.22488	3.5
299.23831	2.7
309.25745	5.0
331.26355	14.6
349.27722	7.1
405.30862	8.8
405.35806	20.9
423.31522	51.5
423.36218	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05508	22.1
57.07085	4.7
65.03935	3.5
67.05175	3.0
67.05513	47.9
69.03413	2.9
69.06727	2.1
69.07077	37.1
69.54554	14.1
69.54962	4.5
75.09074	1.8
79.05496	24.6
81.03413	4.0
81.07061	67.1
83.08643	10.9
85.06521	3.4
91.05502	19.2
93.07053	42.8
95.08618	100.0
97.02881	4.6
97.06528	3.1
97.10172	10.3
98.21516	2.1
99.04435	5.2
100.62415	2.0
105.07041	43.3
107.08603	62.4
109.06499	3.0
109.10161	67.0
111.08086	6.0
111.11713	4.7
113.43607	2.2
117.07024	11.0
119.08598	50.2
121.10149	44.1
123.08077	4.0
123.11701	18.6
124.26219	1.9
125.09659	3.9
127.03879	2.1
129.07034	3.9
131.08571	24.0
133.10133	32.1
135.08081	3.9
135.11699	26.2
137.09534	3.0
137.13258	9.3
142.07738	3.0
143.08556	14.9
145.10139	41.3
147.11682	28.0
149.13263	25.0
151.11191	2.8
153.12759	2.3
155.08563	9.0
156.09320	2.4
156.56708	2.0
157.10155	19.3
159.11703	26.7
161.09616	2.1
161.13280	24.4
163.11229	3.0
163.14810	14.6
168.09279	2.0
169.10117	9.5
171.11742	14.0
171.17633	2.2
173.13264	22.2
175.11191	2.9
175.14853	20.1
177.16385	12.2
179.14278	3.7
181.10097	3.1
183.11717	12.6
185.13254	10.8
187.14864	20.9
189.16414	21.5
191.14346	2.7
191.17932	10.2
197.13242	6.0
199.14799	12.6
201.12810	2.8
201.16383	22.8
203.17958	16.9
209.13245	4.7
211.14922	6.7
213.16356	8.7
215.17978	14.7
217.15915	3.5
217.19569	10.9
223.14862	2.6
225.16411	7.0
227.18027	10.1
229.19519	9.6
233.18936	3.7
239.17987	6.9
241.19478	5.2
243.21101	5.8
245.18982	2.6
253.19505	6.7
255.21072	7.1
256.12988	2.5
259.20630	2.3
261.22244	3.7
267.21048	6.3
269.22565	5.3
271.20523	4.3
271.23929	2.3
273.22174	2.2
281.22656	6.3
283.24225	3.1
293.22690	3.1
295.24307	4.9
299.23514	2.7
309.25735	2.9
313.25156	3.2
335.27609	2.1
365.31943	2.3
377.31802	3.8
405.30670	3.6
405.35803	12.3
423.31741	11.9
423.36826	75.8
424.32288	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.05512	13.6
57.07061	4.9
67.05511	28.0
69.07069	25.6
69.40868	3.4
69.41280	9.1
79.05111	1.7
79.05499	16.2
81.07062	66.7
83.08637	8.5
85.06536	2.0
91.05482	21.3
93.07052	44.1
95.04984	3.4
95.08611	100.0
96.08897	1.6
97.06488	1.9
97.10183	6.7
98.20713	2.7
105.06374	3.0
105.07037	40.9
107.08600	58.2
109.06505	1.4
109.09449	3.0
109.10164	45.7
111.08085	4.1
111.11705	2.9
117.07021	7.7
119.07788	2.4
119.08590	36.6
121.10155	44.5
123.08086	2.3
123.11711	16.0
125.09659	1.6
129.06990	3.0
130.07803	2.1
131.08574	18.4
133.10135	38.7
135.11707	36.2
137.09583	3.0
137.13260	13.5
139.11160	6.3
142.07848	1.7
143.08530	7.3
144.09334	2.0
145.10135	28.7
147.11685	35.1
149.13255	25.5
150.13593	1.8
151.11226	2.3
151.14761	2.4
157.10129	11.3
159.11697	21.4
161.13269	24.4
163.14825	10.8
165.12720	3.1
169.10071	3.4
171.11696	8.9
173.13290	16.4
175.14804	14.5
177.12775	2.4
177.16389	17.5
183.11671	4.4
185.13252	12.7
187.14824	19.8
189.16380	27.2
191.14360	3.2
191.17934	15.9
193.15805	2.5
195.17476	6.3
197.13315	4.6
199.14778	7.5
201.16399	19.8
203.17963	22.6
205.19479	1.6
207.17387	2.3
208.25856	1.7
211.14856	3.2
213.16371	18.8
215.14391	8.9
215.17940	15.1
217.15974	3.0
217.19527	11.5
219.13914	1.6
219.17397	4.3
225.16463	4.9
227.14278	1.7
227.17976	14.7
228.18665	7.4
229.15938	2.1
229.19487	14.8
231.17372	2.0
231.21004	1.9
233.15512	3.4
233.19156	3.4
239.17896	2.8
241.19458	3.1
243.21121	2.6
253.19576	3.2
255.21092	7.0
257.22662	3.8
267.21149	1.9
269.22812	7.4
271.24124	1.8
281.22626	3.1
283.24261	3.6
323.27393	1.9
365.32025	3.5
377.32062	1.7
393.35431	2.0
405.31235	4.7
405.35837	9.2
423.36621	61.9
424.36554	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	423.3621
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03948	1.9
55.05509	10.6
57.07074	4.7
62.48732	1.2
64.50920	1.5
65.03944	1.6
67.05505	20.6
69.07068	24.9
70.73092	3.8
71.08625	3.2
79.05487	10.0
81.06574	1.9
81.07058	37.5
83.08623	9.2
85.06552	2.0
86.09715	2.2
91.05486	10.6
93.07052	29.5
95.04989	1.8
95.08607	54.8
97.10159	7.0
101.17888	1.5
105.07032	21.2
107.08593	45.7
109.06528	2.8
109.10155	35.6
111.08128	3.4
111.11736	1.6
117.07044	4.4
119.08585	34.9
121.10149	38.0
123.08089	1.6
123.11711	18.1
125.09654	1.5
126.79012	1.4
127.78459	1.3
131.08565	13.4
133.10139	28.5
135.11697	26.3
137.09648	1.6
137.13289	6.9
143.08591	5.5
144.09430	1.8
145.10123	20.3
147.11700	19.2
149.09544	1.4
149.13237	12.4
151.14865	1.8
156.09425	1.6
157.10127	9.8
158.10852	2.0
159.11713	22.5
161.13286	15.2
163.14841	13.9
170.10896	1.7
171.11722	7.9
173.13293	13.9
175.14803	11.0
177.16405	17.9
179.14285	2.5
183.11694	1.8
185.13210	8.3
187.14810	11.3
189.16393	21.1
191.17955	8.5
197.13495	1.6
198.71364	1.3
199.14844	5.5
201.16432	7.6
203.17961	13.2
205.15883	2.1
205.19576	2.1
207.17467	4.6
211.14719	2.2
213.16370	7.3
215.17921	13.2
217.19518	12.9
219.17516	3.8
225.16522	2.5
227.17955	5.8
229.19531	12.2
233.19118	2.6
239.17955	2.2
241.19577	5.4
243.21089	18.6
245.22615	7.4
247.20667	1.4
253.19574	2.0
255.21178	5.7
257.22739	5.7
267.21185	6.5
269.22665	22.8
271.24380	2.3
283.24316	6.4
295.24249	2.2
309.25885	1.9
321.25797	2.3
405.35162	31.4
423.36325	100.0
424.36871	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	423.3625
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03942	2.4
54.65518	1.6
55.05510	13.5
57.03437	2.1
57.07074	9.9
67.05508	27.3
69.06713	2.4
69.07072	34.3
69.55968	10.6
71.08622	4.6
71.98669	1.7
79.05497	14.0
81.07062	55.2
83.04986	2.0
83.08627	13.6
83.96367	1.5
85.02910	3.6
85.10178	2.4
91.05495	12.7
93.07041	29.6
95.08611	88.0
97.10163	10.0
98.20786	3.6
104.79635	1.5
105.07034	31.8
105.07677	3.0
107.07863	2.7
107.08598	54.4
109.06564	2.6
109.10159	51.9
111.08071	2.5
111.11732	7.8
116.84266	1.8
117.07021	4.9
119.08588	38.3
121.10150	46.6
123.08076	4.7
123.11713	26.2
125.09624	2.0
127.03912	4.6
129.06993	2.4
131.08585	13.9
133.10130	29.5
135.11688	24.9
137.09659	1.9
137.13266	20.0
139.03915	5.7
142.07748	2.8
143.08577	10.1
145.10126	24.3
147.11681	20.0
149.13274	15.3
151.11188	2.0
155.08556	3.7
156.09297	3.2
157.10133	14.7
159.11707	25.3
161.13260	17.0
163.11171	2.3
163.14842	10.9
169.10170	4.8
170.10938	2.0
171.11670	14.4
173.13261	19.3
175.14838	15.8
177.12781	2.1
177.16362	12.9
179.14333	3.4
179.17966	2.1
183.11699	7.4
185.13248	9.4
187.14841	15.5
189.16377	17.7
191.14314	3.8
191.17941	15.2
193.15813	2.1
197.13313	8.1
199.14868	9.0
201.16397	8.7
203.14394	2.5
203.17960	9.3
205.15936	6.8
205.19540	4.0
207.17461	1.6
209.13199	2.3
211.14822	7.6
213.16402	13.2
215.14500	1.7
215.17924	8.1
217.15926	5.1
217.19521	8.2
219.17403	4.7
225.16441	4.4
227.18024	6.4
229.19536	12.2
231.17453	9.2
231.21182	7.0
233.19096	2.5
237.16333	2.3
239.17879	3.7
241.19484	8.5
243.21088	9.1
245.19032	4.8
245.22668	6.8
253.19644	3.5
255.21045	5.5
257.22745	3.7
259.20667	7.1
267.21057	6.4
269.22681	4.1
271.20538	3.3
271.24136	2.4
273.22305	2.3
283.24283	2.0
285.22052	5.4
295.24182	7.1
297.25690	3.0
298.49258	1.6
309.25839	3.0
321.25720	4.5
323.27319	7.6
335.27496	8.2
336.27960	1.7
337.29013	2.6
347.29459	4.7
349.28790	2.1
363.30594	3.7
405.35223	100.0
406.35397	4.5
423.36526	100.0
424.36600	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.4
57.07080	3.7
57.07346	1.4
65.44565	1.5
65.64289	1.6
67.05501	13.0
69.07069	18.6
69.54955	9.3
79.05492	6.9
81.07066	27.0
83.08614	7.1
89.06018	3.0
91.05476	8.3
91.54671	1.3
93.07049	16.6
93.60950	1.5
95.08610	44.2
97.06502	2.3
97.10165	4.0
98.20755	3.3
105.07037	14.7
107.08598	33.7
107.74088	1.4
109.06475	2.0
109.10159	33.2
110.40146	1.3
111.08086	1.6
111.11698	3.2
111.12417	1.5
117.07040	1.5
119.08591	30.9
121.10139	30.5
123.11697	15.9
125.09601	1.7
126.00586	1.5
128.06175	1.4
131.08559	6.0
133.10135	24.4
135.11705	17.2
137.13261	14.9
143.08530	5.0
144.09256	1.7
145.10138	11.9
147.11723	13.3
149.13258	6.2
151.14893	1.7
155.08504	1.8
156.09343	2.0
157.10132	7.2
159.11678	11.6
161.13278	12.2
163.14845	5.3
169.10159	4.1
171.11708	10.3
173.13309	10.9
175.11179	1.8
175.14824	12.2
177.12691	2.3
177.16386	8.3
179.17953	1.7
183.11687	3.7
185.13246	5.4
187.14787	8.5
189.16396	12.5
191.17999	9.1
193.15836	2.7
195.12115	1.7
197.13310	3.0
199.14828	5.5
201.16374	5.7
203.17915	3.5
205.15894	2.4
205.19708	1.9
211.14832	4.6
213.16385	9.1
215.17958	5.5
217.15919	4.0
217.19568	4.4
219.17441	5.1
223.14771	1.5
225.16383	2.1
227.17926	3.2
229.19516	4.4
231.17390	3.7
231.21049	4.4
237.84949	1.3
239.17918	3.7
241.19444	4.4
243.21190	2.4
253.19461	2.3
255.21030	3.6
259.20596	1.7
267.21060	3.5
269.22620	2.5
271.24136	1.8
281.22745	2.5
283.24176	3.2
285.22052	2.6
295.24081	2.2
297.26016	1.7
309.25674	2.9
313.25302	2.3
321.26044	4.0
327.26904	3.2
335.27258	4.8
337.28708	2.1
405.30499	2.5
405.35223	38.6
423.32242	100.0
423.36456	38.6
424.32703	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08702	2.4
55.05510	24.4
57.03432	3.6
57.07063	8.5
66.47172	2.2
66.89236	3.0
67.05164	3.1
67.05508	36.4
69.03422	2.9
69.07067	36.9
70.85465	2.2
70.85782	6.1
75.42199	2.1
79.05492	29.2
81.03424	2.4
81.07056	72.3
83.08623	16.6
85.06551	3.1
87.94302	2.1
91.05486	29.6
93.07046	65.3
95.04984	4.8
95.08604	89.8
97.06541	5.4
97.10158	10.8
99.63699	2.4
105.07028	56.5
107.04964	2.5
107.08592	100.0
109.06538	4.3
109.09436	4.5
109.10154	60.0
109.42693	2.2
111.08072	8.0
111.11706	3.7
117.06992	12.6
119.08580	56.0
121.06534	5.2
121.10137	61.2
123.08113	3.3
123.11693	23.5
127.11226	2.8
129.06984	6.8
130.07755	2.3
131.08563	23.7
133.09222	4.6
133.10136	62.5
135.08049	2.9
135.11694	51.5
137.13243	8.3
142.07706	2.9
143.08578	13.9
144.09355	3.0
145.10123	37.9
147.08084	3.8
147.11688	36.2
149.09647	3.4
149.13248	46.6
151.11179	2.4
151.14761	2.8
152.51611	2.2
155.08475	2.4
156.09398	4.0
157.10153	20.6
158.10892	3.9
159.08084	4.8
159.11705	47.4
161.09650	2.7
161.13248	25.2
163.14807	28.5
165.09187	3.2
165.12764	3.6
169.10144	7.4
170.10936	3.7
171.11668	21.1
173.13254	41.7
173.14653	3.7
175.14828	23.5
176.08089	2.3
177.12750	2.4
177.16386	25.1
179.14336	3.4
181.10121	2.7
183.11673	11.0
184.12419	2.8
185.13274	15.6
187.11206	3.5
187.14796	31.6
189.12755	2.8
189.16382	27.0
191.17950	13.8
193.15976	2.7
193.50877	2.3
195.11728	4.7
196.12411	3.0
197.13249	10.4
199.14853	10.6
201.12685	5.2
201.16374	21.8
203.14333	5.7
203.17952	21.0
205.15701	2.7
205.19487	5.9
207.11700	2.9
207.17502	4.4
209.13205	3.4
211.11296	2.7
211.14816	6.5
213.16394	12.2
215.14355	6.4
215.17894	16.7
217.19563	6.3
219.13867	3.3
225.16417	6.9
227.17924	7.8
229.19493	16.1
239.17896	4.3
241.19476	11.7
241.66190	2.3
243.17429	3.0
243.21060	15.7
247.20522	4.6
251.17943	3.6
253.19568	4.3
255.21100	9.4
257.22607	4.9
259.20645	4.1
261.22128	9.0
265.19592	2.4
265.31223	2.3
267.21045	16.5
269.19632	3.3
269.22644	26.4
271.24179	5.8
273.22232	3.2
279.42780	2.2
281.22586	8.3
283.24292	11.2
285.19022	3.1
285.22101	15.3
293.22391	2.5
295.20642	4.0
295.24332	2.2
309.22363	3.7
309.25806	5.7
311.27374	8.7
321.25916	4.0
337.28897	4.6
349.28705	2.9
367.26254	4.1
377.31985	6.8
387.30573	10.4
405.31180	9.5
405.35803	27.7
423.32281	56.2
423.36273	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69460	1.2
55.05492	4.8
57.07079	1.5
59.05015	1.5
60.38977	1.1
63.95977	1.1
67.05495	5.9
69.03424	1.2
69.07083	10.5
69.26474	3.2
69.26891	9.7
74.28471	1.1
79.05504	6.4
81.07058	14.9
83.08601	3.4
84.40231	1.1
85.35940	1.1
91.05486	9.8
93.07041	22.1
95.04975	1.7
95.08041	1.8
95.08607	24.6
97.06520	3.3
99.08099	1.4
105.07039	18.7
107.07871	1.9
107.08594	34.3
109.06519	1.6
109.10159	14.7
111.08051	3.6
117.06998	2.5
119.08585	32.7
121.06520	1.3
121.10154	22.6
123.08056	1.9
123.11711	6.2
131.08559	9.1
133.10143	18.1
135.08069	1.6
135.11687	15.5
137.09596	1.2
137.13255	2.8
141.06952	1.6
142.07861	1.3
143.08575	9.7
144.09218	1.4
145.10118	19.0
147.11700	15.6
149.13257	14.1
155.08546	3.0
156.09358	1.6
157.10141	14.2
159.08038	1.5
159.11687	22.9
161.09579	2.3
161.13275	9.1
163.11195	3.0
163.14851	6.8
165.07112	1.3
165.09122	1.2
165.12708	2.0
169.10081	7.3
170.10902	3.5
171.11690	10.7
173.13272	10.6
175.11211	3.5
175.14804	6.3
177.12737	7.6
177.16364	4.3
179.14253	1.4
181.10161	2.7
182.10922	1.6
183.11731	9.0
184.12515	1.8
185.13264	10.7
187.11153	2.5
187.14844	7.1
189.12701	2.9
189.16374	15.7
191.14310	3.0
191.17905	2.4
195.11699	4.3
196.12526	1.9
197.13281	5.5
198.13989	1.8
199.14807	12.4
200.15495	1.4
201.12737	4.6
201.16356	5.9
203.14310	8.2
203.17987	2.6
207.11671	1.4
207.17430	3.6
208.12360	1.5
209.13307	5.0
210.13976	1.8
211.14751	8.7
212.15572	1.4
213.12756	2.2
213.16393	8.7
214.17041	1.7
215.14326	4.7
215.17903	5.2
217.15862	5.6
223.14809	3.4
225.16383	6.3
225.62686	1.4
226.17273	1.8
227.14322	3.6
227.17981	4.2
228.43094	1.2
229.15810	10.2
231.17331	1.8
233.18921	1.3
237.16339	2.6
239.17932	4.2
241.15865	4.3
241.19592	4.9
243.17474	6.0
251.17975	3.9
253.15977	1.5
253.19534	1.4
255.17444	6.9
257.19016	7.6
259.20645	3.6
263.18170	1.4
265.19525	2.4
267.17511	1.8
267.21027	2.6
269.19009	8.2
271.20544	3.2
283.20560	5.8
285.22192	4.1
309.22086	1.7
311.23795	1.5
319.24005	1.6
335.23535	1.5
365.28381	4.2
387.30344	1.7
405.31552	39.4
423.23438	3.4
423.32553	100.0
424.32901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.05516	19.1
57.07061	6.8
58.27662	2.6
65.03915	5.5
66.67989	2.9
67.05508	38.9
67.33206	3.3
67.82832	3.0
69.07085	22.0
69.37115	23.1
71.08592	4.3
72.81334	2.4
79.05492	21.4
81.07056	67.7
83.08616	7.1
91.05483	21.4
93.07059	49.2
95.04911	3.7
95.08608	87.0
97.06527	3.3
97.10133	8.1
105.07040	56.7
107.08602	63.9
109.06473	4.4
109.10166	47.0
111.08022	4.6
117.06962	13.2
119.08583	79.2
121.06544	3.2
121.10155	48.1
123.11694	19.3
125.09534	3.3
131.07742	2.7
131.08562	42.0
133.09268	4.7
133.10138	55.1
135.08000	3.3
135.11710	28.3
137.09499	5.8
137.13179	6.5
142.07736	4.0
143.08507	10.4
145.10126	75.7
147.11702	36.8
149.13226	23.4
157.10115	14.4
159.11707	53.0
161.13248	25.9
163.11127	4.9
163.14845	22.6
165.08965	4.6
169.10025	8.1
171.11623	12.0
173.11935	3.3
173.13261	36.9
175.11188	4.9
175.13481	3.2
175.14828	38.3
177.16374	18.2
183.11661	8.3
185.13158	11.7
187.14844	46.3
189.14780	5.8
189.16379	74.7
191.17838	12.2
193.15741	3.9
197.13089	4.4
199.14821	18.9
201.12608	4.6
201.16360	39.6
203.14168	3.4
203.17960	20.7
205.19328	5.3
207.17416	6.0
211.14662	6.7
213.16232	9.7
215.14432	5.3
215.17967	23.7
217.15785	5.8
217.19382	8.6
221.15106	4.2
225.16322	6.0
227.17874	5.6
229.19327	11.3
231.17366	3.1
233.15352	3.4
233.18753	4.4
239.14818	4.1
239.17773	7.8
241.19493	5.8
247.16838	6.3
248.66592	3.2
253.19377	4.0
267.20941	4.5
269.22415	4.7
281.22510	4.5
335.27164	4.1
359.60959	3.2
377.32123	29.0
387.32281	5.1
405.31128	11.1
423.32187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
53.82270	1.5
55.05513	8.4
57.07058	3.4
65.03919	1.8
67.05504	19.9
69.07067	14.6
70.85803	3.6
71.24314	1.6
75.54582	1.6
79.05468	7.5
81.06644	2.3
81.07057	29.6
83.04927	2.1
83.08586	6.8
85.06525	2.9
86.45816	1.6
86.92669	1.5
91.05463	16.3
93.07043	29.8
95.08604	38.8
97.06512	4.2
97.10141	3.3
103.18754	1.9
105.07027	29.8
107.08597	32.6
109.06504	2.6
109.10147	24.9
111.08035	2.1
117.06992	6.2
119.07783	3.0
119.08582	40.1
121.10137	25.3
123.08019	3.0
123.11679	10.2
125.06042	1.6
128.06215	2.8
129.06937	5.8
130.07721	2.8
131.08592	13.2
133.10124	26.0
135.07990	1.9
135.11696	19.9
137.09610	3.3
137.13220	7.3
141.06958	2.7
141.59749	1.7
142.07776	2.9
143.08556	11.4
144.09294	2.3
145.10114	100.0
147.11684	15.6
149.09592	3.3
149.13229	12.4
155.08482	6.1
156.09283	4.2
157.10129	21.3
158.10796	2.3
159.11705	40.8
161.13292	11.2
163.14758	8.0
165.09056	2.6
167.08487	3.9
168.09294	2.2
169.10081	16.5
170.10796	2.4
171.11703	17.1
173.11874	3.2
173.13254	26.0
175.14810	8.9
177.12637	2.1
177.16330	7.4
181.10057	3.7
182.10861	6.4
183.11740	14.2
185.13287	10.3
187.11221	2.3
187.14825	14.4
189.16377	21.2
191.17886	6.2
194.10997	2.0
195.11603	5.3
197.13269	19.9
199.14853	13.6
201.12749	23.4
201.16360	8.6
203.14362	3.8
203.17874	6.6
205.19379	2.6
207.11755	2.0
207.17429	21.4
208.12500	1.8
209.13283	8.5
211.14732	8.4
213.12730	2.1
213.16292	7.2
215.14258	5.6
215.17877	6.1
217.15858	4.3
217.19438	4.0
223.14693	5.2
224.15643	1.8
225.16333	9.6
227.17882	3.8
229.15866	3.1
229.19489	4.1
231.17281	3.2
237.16362	4.4
239.17880	2.5
243.17409	2.2
243.21054	2.4
248.74954	1.8
251.18036	12.4
253.19572	4.5
255.20979	4.0
263.17969	2.2
265.19449	5.1
267.21133	2.7
269.19019	3.3
271.20444	2.2
291.20908	3.0
330.41660	1.8
387.30344	9.8
405.31467	18.5
405.76233	2.1
423.28003	5.0
423.32318	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	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.9
57.07066	4.1
62.40726	2.2
64.19521	2.3
65.09151	2.2
66.20800	2.8
67.05504	21.8
69.07071	21.2
69.74625	7.9
69.75060	8.1
75.91787	2.5
79.05509	16.0
81.07056	52.9
83.08624	5.9
91.05468	22.5
93.07050	37.1
95.05017	2.5
95.08605	78.5
96.08942	2.3
97.10157	3.9
105.07031	59.8
107.08591	57.1
109.10154	37.9
117.07014	13.8
119.08584	98.0
121.10153	39.3
123.11703	9.8
125.09583	3.5
129.06996	3.2
130.07823	3.6
131.08566	49.2
133.10124	53.3
135.08012	4.2
135.11716	15.7
137.13303	3.5
143.08557	12.2
145.10132	79.3
147.11678	40.1
149.13248	21.2
153.09196	2.9
155.08641	3.0
157.10115	12.2
158.10890	3.6
159.11678	39.4
161.13245	27.2
163.14806	24.5
165.09106	3.4
169.10141	3.0
171.11740	6.0
173.13275	60.1
173.14658	5.2
175.11305	2.9
175.14828	57.2
177.16414	19.2
179.10822	2.6
183.11797	3.9
185.13290	7.5
187.14819	60.6
189.10762	2.4
189.16379	100.0
191.17996	10.1
193.12318	2.4
197.13283	3.0
199.14761	11.9
201.16376	44.9
203.14250	3.8
203.17934	22.4
207.17482	3.7
211.14845	3.7
213.16487	3.9
215.17854	13.8
217.19629	3.5
221.15515	3.1
225.16516	4.4
227.17906	3.5
229.19632	8.8
233.15610	2.8
235.16913	5.5
239.18005	3.9
241.19522	3.3
247.17047	4.1
253.19507	3.7
281.22610	5.7
299.19977	3.2
307.24368	3.0
331.59259	2.5
377.31967	37.6
405.31607	7.8
423.32657	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90060	2.6
53.03936	5.6
55.05505	27.7
56.96566	2.8
57.07069	8.4
59.00241	2.9
62.24688	3.2
65.03937	2.9
67.05509	35.5
67.72926	2.7
69.03426	11.4
69.07071	24.2
69.28025	23.1
69.28444	7.6
73.20552	2.4
74.43561	2.7
79.05492	36.5
81.03416	3.7
81.06574	5.3
81.07056	93.5
83.08624	14.5
85.02900	4.7
91.05470	27.0
93.07040	68.8
95.04958	3.5
95.08607	97.8
97.02903	12.0
97.06516	2.6
97.10161	5.7
100.11269	4.8
101.00883	3.0
105.07027	66.2
107.08592	87.9
109.02864	7.4
109.06535	3.5
109.10157	65.4
115.03925	11.0
117.07046	9.3
119.08584	100.0
121.10140	64.5
123.11703	42.1
125.06065	2.7
129.07010	7.6
130.07822	3.7
131.08563	41.2
133.10135	55.6
135.08035	4.4
135.11682	86.8
137.13268	9.7
142.07785	4.6
143.08565	19.3
145.10112	67.4
147.11687	45.3
149.13271	21.4
153.09119	5.5
156.09341	5.8
157.10164	21.8
158.10959	3.0
159.11687	54.7
161.09659	3.5
161.13249	32.9
163.07523	5.6
163.14828	25.2
163.99820	2.9
165.16365	3.0
169.10184	7.9
171.11710	23.7
173.13275	45.0
175.14815	35.4
177.09163	3.6
177.12839	5.3
177.16388	43.6
179.14302	5.9
182.06033	2.6
183.11678	12.1
185.13293	14.6
187.14796	24.3
189.16374	42.3
191.14323	4.2
191.17960	8.8
195.11810	4.6
197.13191	6.4
199.14818	23.5
201.12700	3.5
201.16373	70.3
203.17950	24.4
205.12366	4.1
209.13359	4.3
211.14859	8.8
213.16364	24.1
214.17120	4.2
215.14380	5.4
215.17929	19.5
217.12369	3.6
217.16069	4.0
217.19576	5.6
219.13832	7.0
219.17400	4.6
221.05257	3.4
225.16313	3.1
227.17973	6.7
229.15797	4.7
229.19528	5.6
231.17624	2.9
231.21230	5.2
233.15446	5.5
239.18059	6.6
241.19482	23.7
243.21114	6.9
245.05054	20.3
245.15440	6.6
246.05084	3.1
247.16943	17.4
251.42000	2.7
253.19469	6.2
255.21196	6.2
257.15378	3.5
257.19189	3.1
259.16953	11.1
267.21112	4.2
269.18808	3.2
273.18436	4.8
281.22327	3.3
283.20654	3.9
285.18646	3.9
287.20001	22.8
299.20099	8.4
301.21637	6.2
305.85443	2.8
313.21606	4.6
359.79657	5.1
377.32095	24.7
390.34659	2.7
405.31256	6.1
423.32605	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05508	17.9
56.96550	2.3
57.07067	3.6
61.15904	2.8
67.05508	24.7
69.03425	3.9
69.07066	25.9
70.23771	2.3
71.04973	2.3
71.61098	3.8
79.05499	23.6
81.03394	2.6
81.07059	66.9
82.82449	2.0
83.04968	3.0
83.08610	10.2
85.02890	4.5
91.05477	27.1
93.07050	45.2
95.04967	7.7
95.08605	79.7
96.08935	2.4
97.06525	5.4
97.10189	4.7
98.97572	5.2
99.08114	2.6
105.07028	56.7
107.08598	69.2
109.06551	5.5
109.10159	40.8
111.08086	6.2
115.05434	2.8
117.07038	13.0
119.08585	91.8
121.10145	46.4
123.08101	3.7
123.11720	19.2
125.09644	2.3
129.07013	6.6
130.07756	4.4
131.08580	43.1
133.09204	3.9
133.10138	42.4
135.08061	4.8
135.11702	37.8
137.09621	3.7
137.13255	6.3
142.07755	3.6
143.08580	17.3
144.09334	5.2
145.10123	77.4
147.08087	4.8
147.11703	40.5
149.13266	23.5
151.07542	3.1
151.11191	3.1
155.08516	3.7
156.09373	4.0
157.10158	17.3
158.10818	2.5
159.08136	2.7
159.11699	59.3
161.09628	5.3
161.13252	25.9
163.14828	22.9
165.09138	5.0
165.12756	3.6
165.16454	3.6
169.10167	9.0
171.11745	13.8
173.13257	45.3
175.14827	39.3
177.09106	4.3
177.12874	2.8
177.16393	21.6
181.10161	4.6
183.11714	9.2
185.09612	3.0
185.11861	2.5
185.13232	15.4
187.11197	2.6
187.14819	41.5
189.09171	2.8
189.16388	54.4
189.18083	3.1
191.14323	3.1
191.17955	16.2
193.12053	2.7
195.11688	4.1
197.13280	10.2
199.14812	11.9
201.12798	8.2
201.16400	48.8
203.14238	5.7
203.17880	13.4
205.12199	3.8
207.17438	4.8
209.13332	4.8
211.14745	5.2
213.16441	12.5
215.14459	2.5
215.17961	14.0
217.15877	3.0
217.19408	3.3
219.13823	3.4
219.17497	2.1
221.15544	2.9
223.14854	3.9
225.16367	8.3
227.17902	8.1
229.15997	4.2
229.19475	8.4
233.15366	7.3
235.16887	3.5
235.20436	3.4
237.16415	4.7
239.17944	6.4
241.19424	11.9
243.21399	2.9
247.16997	6.9
251.18100	3.3
253.19601	2.8
255.17603	2.6
255.21092	6.4
257.18909	2.5
259.16962	6.3
267.21152	3.7
269.19092	3.6
273.18655	2.8
281.22678	3.6
283.20551	2.7
285.18646	3.9
287.20041	8.3
351.26859	3.1
377.32007	24.3
387.21152	2.4
405.31598	11.4
423.23526	9.5
423.32602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.9
56.55315	3.9
66.24007	3.4
66.29847	3.3
69.03427	6.4
70.92142	7.8
70.92487	3.6
71.04993	5.6
72.08149	12.2
73.18320	3.7
81.07058	5.6
83.04965	12.8
84.08115	4.1
85.02904	12.7
86.09734	5.5
91.05418	4.6
93.07055	3.7
95.04965	100.0
95.43997	3.3
97.02894	6.5
98.97571	11.3
99.04454	12.9
105.07050	4.6
107.08602	9.7
108.50063	3.6
109.10162	6.9
112.62572	3.9
121.10149	8.9
122.39330	3.5
139.11272	4.5
143.00095	4.3
144.95934	3.8
149.09637	13.0
151.07567	9.1
153.09109	43.8
159.01509	4.1
161.47844	3.6
167.07207	4.8
169.43350	3.6
199.76630	4.3
207.13853	8.8
225.14844	65.8
227.55545	3.6
234.99023	6.4
243.16010	5.5
300.80130	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.05516	13.9
56.96549	4.4
57.07064	3.8
60.96761	2.5
67.05504	30.7
69.07067	23.9
71.04984	3.0
71.61501	3.7
77.03929	3.1
78.65339	2.1
79.05495	14.6
81.07054	47.6
83.08598	11.4
85.02896	3.6
85.47433	2.6
91.05471	20.6
92.56249	2.1
93.07034	43.0
95.04984	4.5
95.08601	75.7
97.02828	2.6
97.06502	3.5
97.10165	3.1
98.97566	9.2
104.05083	2.1
105.07027	46.0
107.08598	56.0
109.06486	2.2
109.10161	41.6
110.97568	2.8
115.05445	2.7
116.98589	3.1
117.07002	7.6
119.08576	77.8
121.06493	3.1
121.10144	35.7
123.11707	11.0
129.07005	3.7
130.07732	4.8
131.08549	30.8
133.10139	38.0
135.11732	18.4
137.13268	6.3
142.07767	3.1
143.08591	11.3
145.10118	55.2
147.11676	33.8
149.09628	3.0
149.13266	23.2
153.09035	3.5
155.08684	2.8
157.10114	14.3
157.52821	2.2
158.10933	3.0
158.99506	2.5
159.11684	30.8
161.09619	2.6
161.13255	27.2
163.07582	2.7
163.11116	3.0
163.14816	22.7
169.10164	4.1
171.11684	13.3
173.11760	2.9
173.13248	49.6
174.13588	3.0
175.14822	53.4
177.00705	2.8
177.09145	4.0
177.16408	14.9
181.10036	2.5
183.11693	7.3
185.13229	7.8
187.14810	38.6
189.16370	72.6
191.17912	12.8
195.11803	3.0
197.13214	4.2
199.14835	9.7
201.12773	4.7
201.16385	33.2
203.17957	16.0
209.13327	2.7
211.14780	4.5
213.16389	8.1
215.14384	3.2
215.17952	17.6
217.19408	3.5
219.01730	3.5
225.16422	4.8
227.17986	7.3
229.16006	2.8
229.19440	14.7
233.15405	3.8
235.16922	11.3
237.02847	2.7
239.17918	6.3
241.19527	7.1
243.20941	2.8
247.16972	6.6
251.18013	2.8
253.19479	3.8
255.21063	4.6
261.18466	3.3
267.21191	2.8
269.22549	3.5
273.18527	2.7
279.98746	2.4
281.22586	6.0
285.18439	2.4
299.20053	2.9
307.24240	2.5
377.31992	29.1
402.19879	2.9
405.31339	7.0
423.23557	4.5
423.28430	6.4
423.32526	100.0
424.32663	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	422.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42835	2.5
57.03442	22.0
59.05015	4.3
59.27680	2.4
60.04522	2.8
61.75364	2.5
69.03072	4.9
69.03433	73.6
69.57985	18.9
73.02908	9.3
74.76661	2.6
81.03413	4.8
85.02908	52.1
87.04472	60.0
97.02896	70.9
98.97592	6.1
115.03941	97.1
115.34441	2.3
127.03918	9.2
127.84757	2.4
133.04970	100.0
133.05974	5.5
145.04987	14.5
147.04390	4.8
150.07654	16.0
162.03130	3.3
163.06001	3.2
169.04916	3.2
172.04268	3.3
177.05406	3.1
193.04578	2.6
212.30365	2.6
241.06944	2.9
259.08298	2.7
262.46692	2.7
422.11972	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3674
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03941	4.1
55.01866	3.7
55.05507	16.1
56.38150	2.1
57.03445	4.5
57.07076	19.1
64.82528	2.1
67.01847	3.6
67.05503	16.9
69.07069	20.7
69.94260	2.6
69.94538	11.0
71.04970	2.0
71.08632	15.1
71.51743	2.3
78.47562	2.2
79.05486	9.2
81.07058	21.5
82.45267	1.9
82.51588	1.9
82.99167	2.2
83.04973	26.5
83.08619	16.0
85.10184	8.1
87.23949	1.9
89.06042	4.1
91.05469	8.6
93.07037	33.3
95.04953	3.6
95.08605	30.6
97.10155	7.6
105.07026	5.7
107.08620	12.9
109.06515	19.9
109.10149	8.2
111.08082	16.6
111.11697	4.4
119.08559	5.7
120.97777	1.9
121.06506	2.9
121.10142	4.8
123.08091	9.8
123.11709	4.5
125.09653	2.7
127.07570	3.5
133.10085	4.9
137.05962	24.9
137.09599	4.6
139.07512	18.2
147.11670	2.9
151.07544	4.2
151.11183	9.1
153.09061	15.9
155.07016	17.3
161.09552	2.6
161.13264	3.2
165.09166	7.6
165.12794	3.1
167.10675	6.3
169.08551	6.0
179.10660	14.2
181.12277	7.7
183.10133	5.8
189.12633	2.3
193.12201	4.8
195.13828	7.6
197.11752	3.8
207.13806	13.7
211.13286	4.5
221.15402	8.8
225.14923	3.4
243.27045	2.3
265.21664	2.7
270.62671	2.2
277.21527	3.7
281.21069	3.6
283.53384	2.2
360.83289	2.1
383.48364	2.1
385.34793	4.2
388.53195	2.0
403.35693	100.0
420.23483	2.6
421.36749	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05512	30.0
57.06822	2.0
57.07076	32.3
67.05508	10.5
69.03433	1.6
69.06712	2.5
69.07069	36.4
71.08636	20.4
71.32574	2.2
76.52576	1.3
79.05484	5.7
81.07054	19.1
83.04981	42.7
83.08623	23.5
85.10178	10.5
91.05484	5.0
93.07034	10.5
95.08604	25.6
97.10168	14.1
105.07027	6.9
107.08579	10.8
109.06516	6.7
109.10162	13.9
111.08097	6.7
111.11724	9.7
113.05989	1.6
117.58112	1.3
119.08571	10.7
121.06470	2.0
121.10129	7.5
123.04467	1.9
123.08076	10.8
123.11714	7.9
133.10129	9.3
135.08047	10.1
135.11708	4.2
137.05981	27.6
137.09583	7.7
137.13219	2.6
139.07516	10.9
145.10161	3.0
147.08084	1.9
147.11678	8.2
149.09613	4.5
149.13292	3.0
151.07565	7.8
151.11177	6.4
155.07057	6.6
156.09453	1.4
157.10141	3.2
159.11610	2.0
160.08862	1.6
161.09621	26.8
161.13289	10.0
163.14864	2.2
164.75005	1.3
165.09142	3.2
165.12776	4.9
171.11731	2.2
174.10449	1.7
175.11160	14.5
175.14801	2.5
177.12703	3.9
179.10674	5.2
179.14305	3.9
189.12749	19.8
193.12260	4.7
195.13771	2.6
203.14348	3.6
203.17902	1.4
207.13828	5.9
226.63870	1.7
303.25922	1.3
357.35202	3.7
375.36215	41.8
385.34592	19.4
385.38974	1.4
403.35703	78.0
421.36789	100.0
422.37076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03930	2.5
55.01867	2.6
55.05507	10.4
57.03426	1.2
57.07075	5.4
67.05505	11.4
67.29428	0.9
69.07076	17.4
69.49335	5.4
71.08633	4.7
77.03955	0.9
79.05505	2.0
81.07049	3.2
83.04935	0.9
83.08620	10.1
85.10184	1.7
91.05466	6.4
93.07047	44.6
95.04962	2.6
95.08046	1.7
95.08612	28.8
97.06531	1.5
97.10165	5.7
105.07020	1.5
107.08607	5.8
108.21584	0.8
109.06539	0.8
109.10140	4.1
111.07348	1.6
111.08081	23.7
111.11729	2.3
111.62578	0.8
119.08617	1.4
121.06512	3.0
121.10146	2.3
123.08035	1.8
123.11720	1.5
125.09608	2.3
127.07555	4.7
133.10135	1.6
134.87740	0.8
135.08083	1.4
135.11710	1.2
135.48378	0.8
137.09587	1.2
137.13226	1.1
139.07541	29.8
145.10085	1.0
149.09663	0.9
149.13306	1.2
151.11201	2.0
153.09116	15.7
156.91229	0.9
157.08670	1.4
165.09171	1.2
165.12701	1.0
167.10678	9.8
179.10619	1.2
181.12206	7.2
193.12294	2.4
195.13791	7.8
207.13814	3.6
209.15425	3.5
221.15234	1.3
222.32956	0.9
223.16978	2.4
237.18460	1.2
251.20016	1.5
265.21674	2.9
277.21521	1.5
288.19034	0.8
348.81915	0.9
385.34427	1.3
403.35733	43.1
421.36783	100.0
422.37161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
50.59831	1.5
53.03935	2.2
54.26537	1.4
55.05513	31.0
57.03430	2.7
57.07076	31.1
58.28918	1.5
61.47618	1.5
67.05502	10.0
69.06721	2.2
69.07070	39.3
71.08629	19.8
71.28346	1.9
72.82952	1.8
79.05488	7.6
81.07055	23.3
83.04983	47.9
83.08620	23.5
85.10186	9.5
91.05488	6.4
93.07038	11.1
95.08611	27.6
97.06557	2.1
97.10172	15.8
105.07021	10.1
107.08594	10.7
109.06511	9.7
109.10157	12.7
111.08108	5.2
111.11720	7.7
119.08583	10.6
121.06506	1.7
121.10149	7.1
123.08069	16.2
123.11708	6.5
125.05969	3.3
133.10143	9.6
135.08049	12.4
135.11641	3.5
137.05984	31.1
137.09641	4.7
137.13240	3.2
139.07555	7.6
140.09511	1.5
143.08597	2.4
147.11652	9.7
149.09608	3.6
149.13185	4.0
151.07544	8.8
151.11160	7.6
151.14882	1.9
155.07060	10.7
157.10130	2.5
160.08743	2.0
161.09622	28.6
161.13264	8.9
163.11278	2.7
163.14897	1.9
165.09062	2.3
165.12784	3.6
171.11728	1.7
174.10432	2.8
175.11189	12.1
175.14835	4.1
177.12785	3.5
179.10664	5.9
179.14317	2.8
189.12741	19.7
189.16367	1.9
191.14345	1.6
193.12251	5.5
195.13741	2.1
199.82127	1.8
203.14372	3.4
207.13751	7.9
214.79012	1.5
221.15382	2.0
259.20544	1.9
263.20041	2.3
275.27191	2.0
357.35391	4.1
375.36230	37.8
385.34686	19.4
403.35724	73.8
404.36176	3.2
421.36777	100.0
422.37561	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03942	1.6
53.34880	0.9
55.01888	1.4
55.05512	26.9
57.03434	2.5
57.06813	1.6
57.07078	23.2
57.60248	0.9
65.03933	1.1
67.05501	10.2
68.35926	0.9
69.03429	1.8
69.07071	32.4
70.18993	3.2
71.08273	1.2
71.08638	14.9
78.47517	0.9
79.05498	6.5
81.07054	20.8
83.04980	36.3
83.08620	14.6
85.10194	9.5
91.05473	5.9
93.07053	8.9
95.04980	2.7
95.08608	22.3
97.06553	1.2
97.10168	10.6
105.07011	7.6
107.08600	10.5
109.06525	7.3
109.10169	10.6
111.08103	5.3
111.11722	5.9
116.45024	0.9
119.08592	9.7
121.06489	2.3
121.10129	5.8
123.08082	9.5
123.11700	6.6
125.06042	1.8
125.13238	1.3
128.06281	1.0
129.06975	1.0
131.08585	1.4
133.10123	7.9
135.08060	6.5
135.11716	2.8
137.05978	27.7
137.09616	3.3
137.13237	1.7
139.07550	6.9
143.08548	2.0
145.10173	2.3
147.11661	5.1
147.15108	1.0
149.09653	2.4
149.13261	1.6
151.07544	6.6
151.11224	3.7
151.14775	1.2
153.09142	1.4
155.07025	10.5
157.10156	2.0
159.11678	1.2
161.09633	13.5
161.13286	5.4
163.11115	1.3
163.14931	1.5
165.09094	2.4
165.12772	4.3
165.45546	0.9
167.10733	1.1
171.11725	1.7
173.13326	1.3
175.11177	6.9
175.14839	2.2
177.12785	2.8
179.10701	4.1
179.14261	2.1
179.63725	1.0
187.14819	1.3
189.12737	9.7
189.16405	1.4
193.12303	4.1
193.15865	1.7
195.13969	1.1
203.14392	2.6
203.18062	1.1
207.13840	2.7
229.58876	1.1
259.20700	1.2
277.21652	1.0
327.26636	1.2
335.36127	1.1
339.13318	0.9
347.29440	1.6
357.35330	2.5
375.36230	20.3
385.34705	9.1
403.35760	35.1
404.36176	1.7
406.19641	1.0
421.36838	100.0
422.37442	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	421.3676
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03955	2.1
55.01879	2.2
55.05515	20.5
55.79038	1.4
57.07082	10.3
67.05507	13.1
69.03436	3.7
69.07076	31.9
69.60081	10.2
71.08640	6.4
79.05492	4.8
81.07059	13.8
83.01357	7.5
83.04973	2.1
83.08618	16.7
85.06549	2.4
89.06026	1.6
91.05499	5.7
93.07050	27.3
95.05022	1.3
95.08614	25.0
97.06541	5.4
97.10179	11.2
105.07055	6.3
107.08616	11.4
109.06519	2.7
109.10155	10.0
111.08076	12.7
111.11745	3.8
119.08611	5.3
121.06536	4.5
121.10151	9.1
123.08113	5.6
123.11722	5.1
125.06035	6.0
125.09647	6.5
127.07597	4.6
133.10141	3.4
135.11723	3.8
137.09682	3.6
137.13295	2.0
139.07552	28.4
139.11201	2.2
145.10127	3.4
147.11740	2.1
149.09593	2.0
149.13231	2.1
151.11218	4.5
153.09140	11.2
153.12708	2.7
157.10143	3.2
159.11693	3.6
161.13414	1.4
167.10675	6.7
167.14323	2.1
173.13354	1.8
175.14871	2.5
179.10690	1.7
181.12248	13.2
189.16472	1.6
191.17995	1.9
193.12285	2.5
195.13817	13.4
207.13890	3.8
209.15338	7.5
213.16586	1.6
221.15453	2.1
223.17012	4.3
233.40454	1.5
234.87051	1.6
237.18678	1.9
251.20207	2.9
265.21664	5.1
279.23306	2.5
321.28000	1.9
347.29489	1.7
370.19583	1.5
403.31656	1.1
403.35776	62.2
421.31284	3.7
421.36841	100.0
422.37238	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.1
57.07079	10.7
65.03941	3.5
67.05506	31.3
69.07072	27.0
69.23083	2.2
71.00591	5.1
71.04993	2.5
71.08648	7.8
79.05492	19.4
81.07056	68.6
83.08599	10.0
89.06034	17.3
91.05477	22.0
93.07048	47.0
95.04987	4.2
95.08607	89.7
97.06515	2.8
97.10191	7.5
105.07036	33.8
105.07674	3.2
107.08594	43.3
107.09274	3.4
109.06549	7.8
109.10158	49.9
111.08134	5.3
111.11717	4.2
117.07074	6.4
119.08578	32.9
119.09342	2.9
121.10135	41.5
123.08105	4.2
123.11714	25.7
123.12410	2.0
128.06264	2.7
129.07060	3.4
131.08574	19.4
133.08640	10.5
133.10133	29.5
135.08083	3.2
135.11690	26.5
135.12555	2.7
137.09657	4.0
137.13283	10.5
141.07112	2.9
142.07790	2.9
143.08533	10.7
144.09364	2.3
145.10129	25.7
147.08063	2.3
147.11664	23.3
149.09650	5.0
149.13269	47.5
153.05452	2.5
155.08569	4.6
156.09399	4.8
157.10118	15.8
159.11687	22.0
160.06720	2.1
161.09711	7.4
161.13232	15.1
163.14816	10.1
165.09171	5.0
169.10197	8.7
171.11674	13.2
173.13316	15.2
175.11259	3.8
175.14851	11.0
177.16382	10.4
179.08646	2.2
181.10223	3.1
183.11694	12.8
185.13274	15.2
187.14865	12.0
189.16393	10.4
191.18027	3.7
195.11780	5.1
197.13347	8.6
199.14839	10.9
201.16422	14.3
203.14404	2.6
203.17924	16.1
209.13385	5.4
211.15034	7.1
213.12906	2.4
213.16356	10.0
215.14430	4.4
215.17905	10.1
217.16025	6.4
217.19632	5.8
223.14941	4.1
225.16495	8.8
227.18086	6.1
229.15993	2.8
229.19623	4.8
237.16429	4.4
239.15080	3.6
239.17946	3.2
241.19553	4.1
243.17595	8.0
251.18086	5.3
253.19725	7.6
255.17694	3.0
255.21231	5.1
257.22763	3.8
265.19650	4.2
267.21222	7.1
269.19269	3.3
271.20834	3.2
279.21106	4.9
281.22787	3.5
283.20694	3.0
293.22687	4.5
297.22281	4.6
311.23819	5.1
311.27371	4.0
333.25925	2.6
385.31464	2.7
403.33585	21.3
414.96576	2.7
421.34888	100.0
422.34714	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	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.05510	18.5
57.03439	3.7
57.07073	9.3
65.03916	2.8
67.05506	33.3
67.17430	3.4
69.07072	22.2
69.61131	13.7
69.61546	6.7
71.04981	3.6
71.08624	4.3
71.39655	2.9
79.05486	24.6
81.07058	56.1
83.04985	3.1
83.08617	9.9
85.02911	2.9
85.06546	3.2
89.68346	2.5
91.05481	24.1
93.07038	41.2
95.04963	9.2
95.08605	73.2
96.00293	2.6
97.06527	5.8
97.10167	4.0
97.20673	2.5
99.04433	2.8
99.08131	3.1
105.04505	2.7
105.07027	51.4
107.08598	68.0
109.06528	4.2
109.10146	35.2
111.04410	3.4
111.08064	5.0
117.07011	8.5
119.08579	81.9
121.06469	3.0
121.10162	36.6
123.08071	3.2
123.11684	13.8
129.06998	6.4
131.08562	29.0
133.06517	3.7
133.10127	36.6
135.08034	4.2
135.11678	20.8
137.09636	4.3
137.13266	6.8
139.07561	3.3
143.08585	20.8
145.10141	38.8
147.11658	25.3
149.09645	3.6
149.13261	20.9
155.08496	4.0
157.10123	28.2
159.11694	40.6
161.13278	19.5
163.14859	25.7
169.10176	9.9
171.11690	18.3
173.13252	27.7
175.11205	3.5
175.14830	83.5
176.53632	2.9
177.16394	6.7
183.11717	10.4
185.13249	11.8
187.14821	26.9
189.16347	13.7
190.41431	2.8
191.17915	6.2
193.15889	3.8
195.11772	5.0
197.13315	11.2
199.14822	28.1
201.16396	35.6
202.23436	2.7
203.14311	5.0
203.17952	6.1
208.43359	2.9
209.13254	7.2
211.14803	6.6
213.16444	16.1
215.17886	12.0
217.15874	3.6
217.19456	2.8
219.17488	3.1
221.15398	5.0
223.14891	5.7
225.16411	6.5
226.84821	2.7
227.17870	14.4
231.17368	6.0
237.16634	3.5
239.17896	5.0
241.19455	4.7
245.15424	4.3
253.19510	6.5
259.16983	9.5
259.20413	4.4
265.19550	5.7
267.21069	5.8
269.22568	4.0
279.21072	9.9
285.18622	3.5
305.22479	4.3
307.24176	5.1
329.21201	7.9
337.25269	3.3
353.24756	5.8
363.30576	6.2
375.30414	21.8
385.31009	4.8
403.33264	13.3
421.30295	100.0
421.35330	26.4
422.31091	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	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38015	2.7
52.07772	3.2
53.71481	3.3
55.05498	13.9
57.07067	8.5
67.05505	17.9
67.47796	3.1
69.07073	24.4
71.04978	3.3
71.08622	4.0
79.05489	19.4
81.07057	44.7
83.08611	10.0
85.02941	2.8
91.05488	20.0
93.07034	42.3
95.04931	6.8
95.08599	60.5
97.10187	6.6
98.21504	6.7
105.07044	49.9
107.08601	53.7
109.06526	3.8
109.10153	30.8
117.06998	9.7
119.07783	5.7
119.08579	78.4
121.06442	4.8
121.10162	37.8
123.11692	9.3
129.07014	7.6
131.08568	25.6
133.10126	34.9
135.08084	3.1
135.11703	24.4
137.13232	3.5
142.07716	5.1
143.08525	18.7
145.10126	37.5
147.07924	3.9
147.11690	21.9
149.09575	3.4
149.13239	15.1
155.08562	4.1
157.10098	20.3
159.11714	25.3
161.09578	6.7
161.13249	14.4
163.14809	28.2
167.14343	3.3
169.10110	12.6
171.11658	12.4
173.13278	29.7
175.11244	5.3
175.14827	68.9
177.16388	6.4
181.10197	3.6
183.11714	7.3
185.13249	13.4
187.14845	18.6
189.16362	11.4
191.17896	3.7
197.13161	7.7
199.14810	32.0
201.16385	46.0
203.18051	4.0
211.14789	9.7
213.16383	15.0
215.17891	13.0
217.19572	4.1
219.13873	8.1
223.14940	4.7
225.16397	8.8
227.17961	9.3
229.15952	3.1
229.19484	5.4
231.17480	10.2
239.17911	4.4
241.19582	3.4
245.15445	3.6
251.17776	4.0
255.21326	4.2
259.16943	5.6
279.21112	8.7
329.21475	4.2
353.24634	5.6
375.30505	19.9
403.32800	5.4
421.30685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.05517	6.5
57.07042	4.4
63.43431	1.1
67.05503	12.9
67.11929	1.0
69.03404	1.6
69.07067	15.5
69.47269	1.1
71.08598	1.2
79.05490	11.8
81.07061	29.2
81.34628	1.4
83.08614	7.1
91.05479	9.3
93.07052	17.3
95.04936	2.9
95.08612	32.4
97.06497	1.9
97.10093	3.7
105.07037	24.3
107.08600	25.6
109.06501	2.4
109.10163	13.5
111.11668	1.4
117.06963	4.6
119.08584	44.4
121.10138	16.0
123.07996	1.8
123.11719	6.7
125.05957	1.3
125.86675	1.1
128.06187	1.3
129.06943	2.9
130.07649	1.4
131.08583	12.4
133.10133	28.8
135.07991	2.8
135.11711	9.1
137.05905	1.4
137.09529	2.7
137.13182	2.5
142.07697	2.3
142.58284	1.4
143.08562	9.2
145.10120	20.2
147.11685	15.1
149.09505	1.7
149.13258	6.4
150.80498	1.3
155.08481	3.7
157.10133	13.6
159.11714	17.3
161.09595	2.3
161.13249	13.2
163.11145	1.6
163.14886	9.7
167.08698	1.3
167.10460	1.5
169.10074	4.7
170.10849	1.6
171.11717	10.2
173.13266	16.0
175.14833	42.1
177.16257	4.7
183.11607	5.2
185.09583	1.2
185.13261	6.7
187.14835	9.2
189.16254	5.4
191.14299	1.7
191.17807	2.7
193.15880	1.9
195.11592	2.2
197.13159	5.2
199.14832	23.0
201.16405	22.0
203.14188	2.0
203.17841	3.8
205.12035	1.3
209.13159	2.6
211.14659	4.2
213.16422	11.3
215.17831	5.2
219.23944	1.3
221.15216	3.2
223.14662	2.8
225.16344	3.8
227.17952	7.0
227.19867	2.3
229.19432	2.4
237.16344	1.5
239.17783	3.8
241.19418	1.8
243.21034	1.6
245.15288	2.2
247.16798	1.5
251.17740	3.3
253.19385	2.6
257.18958	1.5
259.16727	3.6
267.20810	2.0
277.19055	1.5
279.20944	3.5
281.22531	2.4
283.16183	1.4
285.18484	2.0
291.21014	1.4
295.24084	2.5
299.19861	1.3
305.22321	2.6
319.24030	3.3
341.24396	2.6
351.23181	2.1
353.24435	5.1
375.30490	22.6
385.30743	2.7
403.31995	6.1
421.30542	100.0
422.30911	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	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39195	1.3
53.03957	1.5
55.01859	1.8
55.05508	10.4
57.07079	3.2
67.05507	19.5
69.03439	1.7
69.07064	12.5
70.06551	1.8
70.21639	1.3
70.21980	6.1
79.05486	15.2
81.03407	2.8
81.07055	30.3
83.08605	6.4
91.05476	21.7
93.07047	25.0
95.04957	5.0
95.08604	39.1
97.10172	3.1
105.07034	39.7
107.08598	39.6
109.06496	1.9
109.10152	18.8
112.32592	1.2
115.05453	1.8
117.06990	8.2
119.08581	73.4
121.06503	1.8
121.10140	22.6
123.08017	2.4
123.11713	5.2
128.06232	3.3
129.07028	6.4
131.07681	2.4
131.08575	23.4
133.06546	1.3
133.10132	31.3
135.11697	10.8
137.09668	1.5
141.07010	2.8
142.07774	4.0
143.08560	16.9
144.09314	3.0
145.10123	37.6
147.11690	17.5
149.02292	1.3
149.09657	1.6
149.13226	5.9
151.07565	2.1
153.09053	3.0
155.08575	3.8
156.09355	5.4
157.10130	18.6
158.10884	2.8
159.11693	22.9
161.09561	1.5
161.13258	10.5
163.07553	1.6
163.14816	17.1
165.09027	2.0
167.08604	1.9
169.10103	5.3
170.10802	1.6
171.11696	14.5
172.12436	1.6
173.09607	2.1
173.13242	22.3
175.11253	2.5
175.14832	51.0
177.09094	3.0
177.16393	5.7
181.10051	3.1
182.10916	2.1
183.11713	6.8
184.12465	3.3
185.09599	2.4
185.13278	12.8
187.14810	24.6
189.16377	11.3
191.17879	1.8
193.04942	1.9
193.12297	1.5
193.15872	2.9
195.11705	3.9
197.13246	6.6
199.14818	29.9
201.16388	32.5
203.14317	2.0
203.17998	3.4
209.13210	3.7
211.14832	4.1
213.16374	11.4
215.17928	9.2
217.12370	1.6
217.19472	1.4
219.06615	1.9
219.13763	3.3
221.15381	4.1
223.14804	3.9
225.16432	4.0
227.18001	7.5
229.19543	4.2
231.17529	1.9
237.16446	3.1
239.18013	5.3
245.15353	3.2
247.16969	3.5
251.17863	3.5
253.19589	5.4
259.16992	5.8
259.20557	1.7
263.17990	1.8
265.19742	1.6
267.21149	2.3
269.22778	1.8
273.18454	2.9
279.21082	13.1
285.18546	2.6
299.19864	1.4
305.22644	3.0
319.24231	1.8
329.21085	4.8
338.97006	1.7
341.24799	2.2
351.23230	2.7
353.24805	3.5
375.30460	27.8
386.90326	1.6
403.25116	3.2
403.29794	3.4
421.26382	7.3
421.31030	100.0
422.30920	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05506	8.4
56.96550	1.6
57.07043	1.9
63.77095	1.0
65.03929	1.8
67.05201	1.2
67.05506	12.6
68.60290	1.0
69.07066	9.9
71.05015	1.3
71.61729	1.4
71.87562	1.0
79.05491	13.6
81.06633	1.9
81.07063	22.1
83.04972	1.3
83.08603	3.4
85.06522	1.8
90.19044	1.3
91.05477	15.0
92.66081	1.3
93.06544	1.8
93.07055	20.1
95.04950	4.6
95.08614	27.9
97.06574	1.5
97.10152	2.8
98.97569	1.4
105.07030	27.8
107.04926	1.5
107.08594	26.9
109.06509	2.6
109.10153	11.3
117.07001	5.4
119.08577	51.0
121.06479	1.8
121.10147	13.0
123.11682	5.5
125.06032	1.4
125.09579	1.6
128.06204	2.1
129.07004	4.4
131.08556	15.4
133.10136	23.8
135.08058	1.6
135.11713	7.2
137.06027	6.4
138.06332	1.3
142.07811	2.7
143.08572	11.4
144.09341	1.4
145.10123	21.0
147.07980	1.5
147.11684	14.7
149.02313	4.3
149.09402	1.2
149.13264	7.2
155.08534	4.4
156.09328	2.1
157.10130	16.3
158.10880	1.9
159.11684	16.9
161.09662	2.2
161.13272	11.7
163.14807	14.5
169.10115	6.2
170.10837	2.2
171.11711	10.8
173.13284	12.9
175.14830	52.0
177.16396	5.9
181.10127	1.8
183.11688	6.3
185.13231	7.8
187.11197	1.4
187.14827	11.3
189.12759	1.9
189.16360	8.2
193.04916	4.2
193.12366	2.0
194.10912	1.4
195.11656	2.5
197.13251	3.9
198.13972	1.5
199.11060	1.8
199.14835	27.2
201.16380	22.6
203.17944	2.7
205.12184	1.5
209.13190	3.4
211.14841	3.4
213.16376	11.5
215.17914	4.8
221.13246	1.2
221.15347	3.0
223.14755	4.1
225.16354	3.4
227.17815	6.1
229.19415	1.8
231.14014	1.6
237.16466	2.5
239.17964	4.7
241.19493	1.7
243.20984	1.6
245.05119	2.4
245.15346	2.1
247.17018	2.5
251.00034	1.7
251.17885	2.8
253.19452	3.2
256.26370	2.4
259.17035	1.6
273.18533	1.3
279.21094	3.6
285.18536	1.8
291.20987	1.3
293.22516	2.1
299.19995	1.6
305.22574	3.1
307.23886	1.9
319.23993	2.8
325.21362	2.9
329.20978	2.4
330.21875	1.4
341.24759	2.1
353.24649	4.8
375.30408	19.9
403.24835	2.4
403.29950	3.8
421.22009	26.4
421.30917	100.0
422.31158	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25103	0.9
55.05506	3.8
57.07071	1.8
65.75893	1.0
67.05505	8.0
69.07069	6.7
71.56898	1.7
79.05505	5.9
81.07065	16.7
83.08607	2.7
91.05469	6.7
93.07047	17.7
95.04931	1.9
95.08606	20.1
97.06499	2.0
97.10212	1.2
105.07039	12.8
107.08600	22.0
109.10154	12.7
109.10822	1.4
111.08091	2.1
115.05501	1.3
117.07008	1.9
119.08580	18.0
121.10142	14.8
123.11695	8.0
128.06200	1.7
129.06956	2.6
131.08578	6.3
133.10138	15.1
135.08128	1.6
135.11696	12.6
137.13246	4.1
141.06931	1.5
142.07793	3.9
143.08525	11.2
144.09358	1.6
145.10117	11.8
147.11705	11.1
147.97139	1.1
149.09590	2.9
149.13278	6.2
151.11096	1.6
153.07101	1.2
155.08565	4.4
156.09358	3.3
157.10121	16.4
159.11684	12.0
161.09679	1.4
161.13295	4.8
163.14778	3.7
165.07048	2.9
166.07782	2.0
167.08580	4.4
168.09357	3.6
169.10149	10.6
170.10956	1.6
171.11710	10.2
173.09711	1.5
173.13237	6.7
175.11200	3.7
175.14842	3.5
177.12819	1.9
177.16408	3.8
179.08572	2.7
179.14236	1.1
180.09370	1.5
181.10133	15.6
182.10928	5.0
183.08015	1.5
183.11713	17.7
184.08810	1.3
184.12463	2.2
185.09619	3.3
185.13264	11.2
187.11205	3.8
187.14854	4.2
189.12782	3.8
189.16373	7.3
190.10091	1.1
191.14330	1.1
193.10089	5.0
194.10927	4.0
195.11708	8.4
196.12541	1.7
197.13258	18.3
198.13986	3.0
199.11208	4.6
199.14824	9.6
201.12775	8.8
201.16423	4.1
203.14462	1.6
205.10193	1.4
207.11731	3.9
207.17561	2.1
208.12488	2.3
209.13255	10.6
210.14001	1.9
211.11137	1.8
211.14760	6.0
213.12761	4.6
213.16405	5.5
215.14301	5.4
215.17999	2.5
217.15918	1.4
219.11633	1.4
220.12497	1.4
221.13219	4.4
223.11317	1.0
223.14795	8.5
224.15579	2.2
225.12814	2.8
225.16379	12.4
227.14345	13.0
227.17918	2.2
234.14140	1.5
235.14774	2.4
237.16454	3.1
239.14326	4.5
239.17879	5.9
241.15881	10.4
241.19530	1.9
243.17427	2.1
249.16336	2.7
251.14470	1.1
253.15887	4.7
255.17493	4.7
261.16443	1.2
265.19604	1.3
267.17477	16.4
267.20386	1.4
267.21326	0.9
269.19040	3.5
279.17480	1.5
281.18997	8.9
283.20496	1.2
285.22229	1.9
293.19162	1.3
295.20715	1.4
307.20642	1.3
319.20660	1.4
333.22086	1.2
359.27109	1.2
361.28912	3.2
379.29938	3.4
385.28946	1.6
403.29999	34.1
421.31030	100.0
422.31427	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.05510	11.3
56.96564	5.9
57.07058	2.4
67.05504	23.9
69.03421	5.0
69.07085	18.1
69.69615	15.8
71.04982	2.8
75.60296	2.0
79.05496	17.2
81.03424	3.5
81.07057	40.4
83.04993	2.7
83.08604	9.1
84.87950	2.7
85.02894	4.5
91.05487	21.7
93.07047	38.1
95.04923	6.5
95.08607	53.3
95.09527	2.4
97.06522	3.0
97.10136	4.6
98.97571	7.1
99.04421	2.8
99.08108	2.9
99.89494	2.0
105.07028	53.1
107.08595	45.1
109.06553	3.4
109.10167	25.8
115.05425	3.1
116.98598	3.3
117.06991	12.6
119.08581	100.0
121.06512	4.0
121.10153	27.0
123.08031	3.7
123.11681	8.8
124.99091	2.9
125.09583	4.1
128.06213	4.1
128.98560	3.8
129.06970	8.5
130.07806	2.9
131.00203	3.2
131.08571	33.9
133.10124	39.5
135.08083	3.8
135.11687	13.0
137.13278	3.8
140.98409	2.8
141.06946	3.5
142.07755	6.7
143.08571	22.2
144.09276	4.3
145.10123	66.9
147.11690	24.8
149.13268	12.9
151.07458	2.8
153.09097	3.7
155.08517	5.8
156.09320	5.6
157.10127	25.6
158.10855	3.2
159.11691	34.1
161.01263	4.0
161.13242	16.6
163.07542	2.8
163.14806	12.5
165.09096	3.7
169.10069	8.4
171.11676	19.9
173.11882	4.2
173.13251	35.0
175.14832	36.0
177.16371	8.5
181.10175	3.1
183.11618	10.3
185.01186	5.2
185.13263	17.0
186.01500	3.3
187.14824	41.3
189.12837	3.3
189.16336	20.1
195.11705	6.0
197.13240	6.5
199.14824	29.1
201.16396	40.7
202.16676	3.4
203.02148	3.7
203.17946	6.7
207.11790	2.8
209.13278	5.6
211.14767	7.6
213.16402	18.4
215.14337	4.2
215.17941	10.5
219.01639	3.0
219.13861	3.1
223.14815	5.8
225.16403	4.6
227.17949	6.0
229.15816	3.4
229.19540	3.7
231.13724	5.4
233.15286	4.4
237.12398	2.6
237.16397	5.8
239.17908	6.3
241.19485	5.1
245.15277	4.4
245.46057	2.4
247.16876	6.6
251.17859	5.5
253.19453	5.5
259.16812	3.3
261.18964	2.7
263.18002	3.4
267.20914	3.8
269.22653	3.1
279.20950	5.7
283.16840	2.6
303.29846	2.2
319.03268	3.6
319.23999	3.5
320.03571	7.4
329.20996	3.2
330.67761	4.8
337.04514	3.1
337.57217	2.7
338.04898	5.8
339.23111	2.8
339.68484	3.3
351.23166	5.1
353.24591	3.2
375.30481	27.9
377.31741	3.3
395.42792	2.4
403.29800	6.4
421.26471	6.6
421.30878	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	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25256	1.7
52.65661	1.7
53.03915	2.5
55.05513	12.7
60.12547	1.9
67.05497	14.7
69.03416	2.4
69.07065	13.4
70.10517	9.3
79.05486	19.1
81.03407	2.6
81.07054	40.8
83.04958	3.1
83.08591	6.5
91.05061	2.0
91.05482	24.9
93.07054	39.0
95.04955	5.4
95.08605	48.4
97.06515	3.6
97.10151	4.4
98.97571	3.1
105.07031	46.3
107.08600	45.8
109.06519	5.0
109.09557	1.9
109.10161	22.3
111.04411	2.3
111.08039	3.3
111.11690	2.2
111.15211	2.3
117.07034	15.1
119.08582	90.1
120.79314	2.2
121.06500	3.6
121.09411	2.5
121.10145	26.0
123.08080	3.6
123.11684	6.5
125.05956	2.3
125.09585	4.3
128.06183	6.4
128.47693	2.3
129.06972	8.1
131.07692	3.0
131.08569	33.1
133.10124	32.2
135.08061	2.3
135.11699	15.4
141.07002	3.3
142.07765	4.0
143.08536	21.0
145.08224	2.2
145.10126	44.8
147.07999	2.7
147.11714	21.3
149.13275	11.0
155.08536	6.2
156.09319	4.4
157.10126	23.2
158.10669	3.0
159.11691	27.6
161.13269	17.6
163.07521	3.6
163.11115	2.6
163.14842	15.2
165.09064	3.2
169.10092	7.7
170.10855	4.8
171.11635	15.2
173.11900	3.0
173.13255	27.7
175.11305	3.1
175.14835	38.5
177.16438	10.8
181.10086	3.6
183.11685	11.4
185.13283	18.7
187.14828	32.4
189.09029	2.1
189.12767	3.4
189.16356	15.2
191.17908	4.1
193.12350	2.3
195.11659	5.3
197.13210	5.7
199.14821	38.3
201.16376	30.5
203.17917	6.2
209.13333	4.7
211.14777	7.3
213.16275	9.6
215.17941	14.4
217.15907	3.6
217.19392	2.9
221.15314	3.1
223.14825	4.8
225.16272	5.5
227.17828	8.6
229.19516	5.1
231.17322	2.3
237.16318	3.3
239.17859	4.4
245.05061	5.4
247.16965	6.0
251.17950	2.8
253.19511	3.6
255.21022	2.6
259.16873	3.6
261.18518	2.8
267.20905	4.4
279.21103	13.0
293.22485	3.6
305.22501	6.3
375.30469	37.5
385.30554	2.8
403.29495	3.8
421.21640	7.0
421.30820	100.0
422.31223	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	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74593	1.1
55.05504	7.7
56.96554	1.2
57.07047	1.6
60.89534	1.0
65.03944	1.7
67.05511	9.6
68.64069	1.1
69.07068	10.0
71.05222	2.3
73.02917	1.2
76.27116	1.2
79.05492	10.2
81.03425	1.5
81.07059	24.3
83.08606	5.0
85.02893	2.5
85.06505	1.5
85.47355	1.2
89.00749	1.1
91.05482	12.6
92.87531	1.2
93.07043	17.2
95.04987	2.2
95.08022	2.2
95.08604	24.8
97.06528	5.6
98.97588	2.7
100.11250	1.5
105.07027	24.2
107.08594	22.6
109.06522	1.9
109.10144	10.6
110.97585	1.2
111.04387	1.5
117.07014	2.5
119.08583	46.4
121.10145	11.7
123.11701	4.2
128.06174	2.6
129.06995	3.6
130.07796	1.6
131.08554	12.4
133.10135	17.9
135.08026	2.3
135.11696	10.3
135.17766	1.3
137.05959	1.8
137.09634	1.5
142.07790	4.1
143.08553	15.2
144.09254	1.2
145.10107	20.9
147.11681	11.4
147.47574	1.4
149.05956	1.9
149.13217	5.8
155.08565	2.9
156.09341	6.6
157.10129	12.4
158.10884	2.0
159.11699	12.2
161.13254	8.9
163.03883	2.8
163.14813	12.8
167.07059	12.4
167.08446	2.5
169.10112	7.2
169.12236	1.3
170.10851	1.5
171.11702	19.8
172.12502	1.7
173.13269	15.0
175.14827	40.0
177.00700	1.3
177.16383	4.8
181.10143	2.1
183.11708	3.9
185.13263	9.5
187.14798	7.9
189.08995	1.4
189.16376	13.4
193.15924	1.9
195.10097	2.0
195.11671	2.5
197.13290	5.6
198.99132	1.3
199.11191	24.7
199.14804	25.0
201.16379	20.6
203.17950	3.2
207.17461	8.0
209.08110	1.8
209.13312	2.8
211.14799	4.9
213.16365	11.2
215.06938	1.3
215.17912	4.7
221.15288	1.9
223.14726	3.0
225.16347	3.9
227.17926	7.2
229.19518	2.1
231.01613	1.4
233.08176	1.4
237.16345	1.7
239.17931	4.8
241.19492	1.6
245.15297	1.4
251.18169	1.4
253.19592	2.4
255.21054	1.6
259.09744	5.5
259.16995	2.5
265.15491	2.3
265.19421	1.8
273.44144	1.6
279.21106	2.8
285.18478	2.9
295.24146	2.2
305.22684	1.4
307.24496	1.4
331.17581	4.4
333.25793	2.7
340.18216	3.5
341.24918	2.4
353.24603	3.9
375.30508	20.3
376.30817	1.4
403.29822	1.9
421.30954	100.0
422.31061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74593	1.1
55.05504	7.7
56.96554	1.2
57.07047	1.6
60.89534	1.0
65.03944	1.7
67.05511	9.6
68.64069	1.1
69.07068	10.0
71.05222	2.3
73.02917	1.2
76.27116	1.2
79.05492	10.2
81.03425	1.5
81.07059	24.3
83.08606	5.0
85.02893	2.5
85.06505	1.5
85.47355	1.2
89.00749	1.1
91.05482	12.6
92.87531	1.2
93.07043	17.2
95.04987	2.2
95.08022	2.2
95.08604	24.8
97.06528	5.6
98.97588	2.7
100.11250	1.5
105.07027	24.2
107.08594	22.6
109.06522	1.9
109.10144	10.6
110.97585	1.2
111.04387	1.5
117.07014	2.5
119.08583	46.4
121.10145	11.7
123.11701	4.2
128.06174	2.6
129.06995	3.6
130.07796	1.6
131.08554	12.4
133.10135	17.9
135.08026	2.3
135.11696	10.3
135.17766	1.3
137.05959	1.8
137.09634	1.5
142.07790	4.1
143.08553	15.2
144.09254	1.2
145.10107	20.9
147.11681	11.4
147.47574	1.4
149.05956	1.9
149.13217	5.8
155.08565	2.9
156.09341	6.6
157.10129	12.4
158.10884	2.0
159.11699	12.2
161.13254	8.9
163.03883	2.8
163.14813	12.8
167.07059	12.4
167.08446	2.5
169.10112	7.2
169.12236	1.3
170.10851	1.5
171.11702	19.8
172.12502	1.7
173.13269	15.0
175.14827	40.0
177.00700	1.3
177.16383	4.8
181.10143	2.1
183.11708	3.9
185.13263	9.5
187.14798	7.9
189.08995	1.4
189.16376	13.4
193.15924	1.9
195.10097	2.0
195.11671	2.5
197.13290	5.6
198.99132	1.3
199.11191	24.7
199.14804	25.0
201.16379	20.6
203.17950	3.2
207.17461	8.0
209.08110	1.8
209.13312	2.8
211.14799	4.9
213.16365	11.2
215.06938	1.3
215.17912	4.7
221.15288	1.9
223.14726	3.0
225.16347	3.9
227.17926	7.2
229.19518	2.1
231.01613	1.4
233.08176	1.4
237.16345	1.7
239.17931	4.8
241.19492	1.6
245.15297	1.4
251.18169	1.4
253.19592	2.4
255.21054	1.6
259.09744	5.5
259.16995	2.5
265.15491	2.3
265.19421	1.8
273.44144	1.6
279.21106	2.8
285.18478	2.9
295.24146	2.2
305.22684	1.4
307.24496	1.4
331.17581	4.4
333.25793	2.7
340.18216	3.5
341.24918	2.4
353.24603	3.9
375.30508	20.3
376.30817	1.4
403.29822	1.9
421.30954	100.0
422.31061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01872	0.5
55.05510	2.7
56.96577	0.5
57.03434	0.8
57.07062	0.7
65.03941	0.9
67.05502	3.7
68.99786	0.8
69.03429	5.5
69.07072	2.7
71.04988	0.7
71.61211	0.6
79.05491	7.0
81.03419	3.1
81.07056	8.2
83.01371	0.4
83.04977	2.4
83.08630	1.1
85.02912	1.1
85.06532	0.6
87.00835	2.0
91.05477	8.8
93.07037	5.1
95.04979	1.8
95.08613	4.0
97.02895	3.3
97.06533	1.7
99.04449	1.1
103.05457	0.7
105.01823	0.4
105.07036	10.6
107.04949	4.4
107.08598	22.7
109.02887	4.3
109.06519	2.7
109.10153	8.4
111.08087	0.7
115.05482	2.0
116.06192	0.5
117.07043	2.3
118.07782	0.7
119.06072	0.7
119.08581	6.5
121.06505	2.1
121.10146	13.5
122.07295	7.3
123.08070	1.5
123.11681	0.7
127.03913	13.2
129.07011	0.7
131.08574	4.0
133.10130	100.0
134.10498	1.2
135.08043	7.9
135.11633	2.0
137.09616	56.2
138.10011	0.5
141.06993	0.4
143.08574	2.1
145.04953	1.0
145.10139	3.2
147.08041	0.5
147.11682	3.7
148.91357	0.4
149.09627	3.1
149.13263	8.1
151.07573	0.6
151.11156	0.4
155.08508	0.5
156.09377	0.4
157.10077	1.7
158.10876	1.6
159.11754	1.9
161.09630	0.5
161.13231	0.8
163.03911	0.6
163.11148	0.5
163.14793	1.9
167.07063	0.7
167.08545	0.7
168.09447	0.3
169.04883	0.4
169.10129	1.0
171.11665	1.2
173.09616	0.4
173.11905	0.6
173.13281	7.1
175.11147	0.6
175.14832	1.1
177.12920	0.3
177.16422	0.7
178.18492	0.4
179.06999	0.7
181.08636	0.4
181.10147	1.1
183.11726	1.2
185.13326	1.0
187.11179	0.4
187.14810	0.9
189.12750	0.8
189.16341	1.2
191.14308	43.9
192.14778	0.6
195.11700	0.8
197.13232	1.1
199.11195	0.9
199.14870	0.9
201.12802	0.6
201.16425	0.9
209.13101	0.7
211.11380	0.4
213.03917	3.1
213.12698	0.5
213.16290	0.3
215.14377	0.4
215.17998	0.5
223.14806	0.8
225.16458	0.5
227.14221	0.7
229.08640	0.4
231.05003	1.5
239.14284	0.4
239.17966	0.7
241.15895	1.0
241.19618	0.4
245.15359	0.4
249.16347	0.5
253.15784	0.5
259.09546	0.7
265.15964	0.3
267.17453	0.7
299.16531	0.9
317.17566	0.6
335.18472	1.0
379.29578	0.4
403.17407	0.8
403.29865	2.5
421.10193	0.4
421.18744	0.8
421.30814	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	421.1681
Annotation	Pomiferin
Peak:m/z	Relative Intensity
55.25454	0.3
56.96558	1.4
69.03430	0.6
71.36089	0.6
71.36443	0.6
83.05072	0.4
84.96035	0.6
85.02911	1.0
89.03915	1.5
91.05473	0.6
97.02872	0.8
98.97600	2.7
107.04968	0.5
116.98636	0.7
117.03406	0.8
119.04930	0.6
124.99122	0.5
135.04440	2.2
145.02864	1.2
147.04393	1.6
158.99686	0.9
161.01292	0.5
163.03908	8.3
164.04308	0.7
177.00673	0.4
199.06416	0.6
219.01804	1.2
237.02843	0.7
241.07375	0.9
275.11005	1.3
289.12506	2.1
361.11917	0.5
403.12839	0.7
421.16821	100.0
422.17343	1.8
441.15851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1341
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.96555	1.2
57.03432	1.6
64.49235	0.6
69.03419	3.3
69.65398	4.3
85.02898	4.8
87.04438	1.3
89.03899	0.8
97.02890	1.8
98.97569	2.7
109.02831	0.7
115.03929	2.0
117.03368	1.3
127.03915	100.0
133.05011	0.9
135.04390	1.5
137.05969	1.1
138.17372	0.7
143.00157	1.0
145.02856	1.0
145.04938	0.7
147.04376	1.2
161.01155	0.7
163.03926	7.5
170.69060	0.6
219.01765	1.9
237.02946	0.9
252.81593	0.8
273.84747	0.6
289.09122	1.8
322.08643	0.7
398.13571	0.7
421.12402	2.2
421.17050	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07059	2.5
64.33585	1.7
67.05495	6.5
69.07060	6.1
70.10637	1.5
71.41015	3.2
79.05482	11.6
81.03432	1.5
81.07058	100.0
85.02896	7.1
86.59090	1.5
87.00827	4.2
91.05445	1.7
93.07021	4.2
95.08607	18.2
97.02888	6.1
98.97580	1.9
99.04444	2.0
105.01859	3.3
107.08556	2.8
109.02887	2.0
109.10106	2.6
110.10705	1.6
119.08558	2.7
121.10172	1.8
127.03932	6.1
133.10094	2.5
135.11694	1.6
137.13255	20.5
145.05011	4.3
167.07021	1.7
223.30278	1.7
231.05208	2.6
242.43385	1.6
353.25943	1.5
364.84656	1.8
369.88104	1.9
380.51828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
56.96564	4.7
57.03438	20.8
61.02926	5.6
65.03938	2.9
68.80221	1.5
69.03429	29.9
69.07077	20.0
69.76533	6.0
69.76945	4.2
71.01350	3.0
71.04989	9.8
72.10028	1.9
73.02919	32.6
81.03397	2.7
81.07072	3.0
83.04959	2.5
83.08614	2.0
85.02909	47.5
85.03425	2.6
87.04469	11.9
91.05484	100.0
97.02896	48.6
98.97601	10.9
99.04482	1.9
105.07059	2.0
107.04988	2.7
109.02880	2.1
115.03929	39.6
116.98627	3.9
117.07043	2.3
121.96326	2.1
127.03911	8.8
129.05551	2.0
133.04982	27.2
133.06520	2.3
145.04959	10.6
145.06569	2.1
150.07603	5.3
158.99655	4.9
161.04387	2.5
163.06018	3.7
167.14398	1.9
177.00667	2.8
209.15417	1.8
214.08569	2.8
217.08693	3.5
223.06059	2.4
223.09138	13.2
225.08031	7.9
232.09622	2.4
235.09738	3.5
241.07004	3.6
253.10721	2.1
283.12189	3.7
305.08984	3.7
325.13235	16.4
326.13785	2.2
420.18188	3.1
433.14032	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	420.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.0
61.02923	1.1
69.96629	4.0
70.58251	1.0
74.34377	1.3
83.97652	1.3
84.96026	2.5
85.02881	2.4
89.03906	1.5
96.83244	0.9
97.02858	1.3
98.20750	1.0
98.96999	1.5
98.97587	16.2
100.62009	1.0
106.73557	0.9
110.97556	5.0
116.98613	4.9
126.38363	1.0
128.98605	5.1
131.04871	1.0
135.04356	2.0
137.05939	2.3
140.98569	2.2
143.00179	3.4
146.01202	1.9
146.99644	2.0
152.98547	3.4
158.99658	4.1
161.01219	3.0
163.03908	5.4
163.05077	1.1
163.07465	1.0
164.02272	2.1
170.99615	4.3
177.00647	3.1
188.80469	0.9
189.00699	2.0
201.00632	4.6
201.04419	1.2
218.99762	1.5
219.01785	27.3
231.05495	1.1
237.00452	1.2
237.02811	22.7
245.28539	1.0
273.06458	1.5
276.07495	1.8
291.07434	1.7
303.07513	12.7
321.04776	1.7
321.08569	28.1
336.35156	1.2
392.12521	5.3
392.16718	1.0
420.11823	100.0
421.11972	2.8
421.16800	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
56.96552	2.8
57.03436	4.2
61.02919	3.9
62.01276	1.7
69.03422	8.4
71.61189	3.5
71.65208	1.7
73.02906	6.4
78.70228	1.7
79.48672	1.9
81.03426	6.8
84.96029	2.4
85.02906	24.7
87.04463	2.8
89.03929	2.4
91.05485	5.0
93.07063	4.1
94.04157	2.8
97.02914	9.5
98.97583	12.1
101.68266	1.9
103.05459	15.0
107.04956	26.3
109.02882	3.3
110.97583	2.8
112.99135	2.1
116.98689	2.8
117.07003	9.6
119.08591	2.0
121.06496	10.5
122.03603	4.1
127.03915	6.6
128.98605	1.8
131.04939	44.6
135.04373	3.2
137.05981	100.0
138.12427	2.3
145.02888	2.9
145.04942	6.2
145.06482	26.9
158.99658	4.4
163.00867	2.0
163.03906	14.1
163.07555	62.8
177.09105	30.9
179.04613	2.7
205.08614	67.7
219.01772	3.2
223.09662	74.4
236.06274	14.1
237.02742	2.6
241.08578	2.7
241.10719	8.9
259.06311	2.2
377.79330	2.1
407.12451	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.0
56.73188	4.6
56.96568	33.5
60.69272	4.0
67.05496	11.2
69.07085	5.4
69.23485	4.1
70.95306	9.3
70.95643	5.0
71.04975	8.2
73.02932	4.4
75.16680	3.7
79.05510	4.1
81.07045	11.8
83.08620	5.6
84.96027	6.6
85.02882	10.5
91.05492	9.5
93.07018	7.2
95.04994	6.0
95.08615	13.7
98.97588	48.7
101.00854	8.5
105.07006	13.5
107.08588	15.0
109.10145	11.3
110.97586	14.9
112.99139	26.3
113.00809	5.8
116.98617	16.6
119.01905	11.7
119.08561	13.8
121.10106	11.1
124.99115	18.9
127.00735	5.1
128.98607	12.0
131.00244	23.3
131.01920	8.9
131.08575	5.6
134.99683	5.4
135.08002	4.4
140.98579	6.3
143.00153	27.4
143.01947	4.8
145.03477	19.2
145.10112	4.4
146.99576	5.5
147.11685	8.1
149.01208	11.0
155.01897	20.8
156.02617	7.3
157.03500	10.4
157.10126	7.9
158.99669	6.7
159.11661	11.2
161.01224	27.3
161.02962	9.2
167.00113	5.6
173.01241	6.9
173.02853	9.4
179.01974	4.0
185.01215	54.8
185.02930	12.1
187.02777	6.1
191.02267	6.9
201.16156	4.0
203.02252	49.0
203.04033	20.2
207.46271	4.0
221.03275	8.7
221.05101	54.0
226.03807	6.8
245.05130	60.6
257.04935	5.4
259.03015	67.4
263.06113	8.9
277.04388	43.2
300.05676	9.8
305.07175	7.1
319.03497	100.0
337.04340	74.5
360.05954	19.1
379.07397	5.3
397.07504	6.2
419.28949	6.7
420.29230	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
54.96910	2.2
55.05517	14.3
57.07075	21.3
57.62238	1.8
67.01852	5.7
67.05494	8.1
68.99791	27.1
69.07069	24.9
70.59092	6.5
71.08633	16.0
77.36759	1.9
79.05488	4.6
81.07070	11.8
83.04984	5.0
83.08620	14.7
85.06057	3.3
85.06544	42.2
85.10189	9.7
91.05472	4.2
93.07035	8.0
95.04995	2.4
95.08607	12.4
97.06511	6.9
97.10151	7.3
105.07016	2.6
107.08585	5.4
109.10152	4.7
111.11687	3.7
119.08623	1.9
121.10114	2.6
123.11705	4.8
125.06011	7.1
127.07558	4.7
135.08041	3.1
137.06024	1.9
139.06221	2.0
139.07494	4.2
149.02394	4.9
149.09576	3.2
151.07533	5.7
153.05489	5.7
153.09131	4.9
155.07007	2.8
159.11688	2.1
167.10643	2.3
168.67526	2.0
169.08591	18.1
169.09935	3.4
171.06531	100.0
177.12679	2.1
177.67451	2.3
181.08618	5.6
195.10120	7.2
205.12186	16.7
207.13803	13.7
219.13754	7.3
221.15372	6.0
233.15184	3.0
237.07285	2.0
247.16777	2.5
261.18521	2.5
269.55814	1.8
275.20044	2.5
306.51620	2.1
401.34201	52.5
419.35059	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3521
Annotation	(24S,26)-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03939	2.3
55.05515	13.1
57.07069	9.5
66.63757	1.9
67.05505	21.9
69.03426	4.2
69.07072	18.1
69.57147	13.0
70.06591	5.5
71.05004	16.4
71.08647	2.8
77.77454	2.1
79.05497	17.4
81.07062	45.8
83.04953	3.0
83.08620	10.6
85.06545	69.9
88.07624	3.3
91.05470	20.2
93.07055	37.8
95.04973	4.3
95.08614	61.0
97.06506	11.4
97.10150	2.8
105.07043	27.5
107.08598	50.0
109.06504	6.5
109.10170	33.3
109.39412	1.9
111.08080	15.3
111.11700	4.0
112.14696	2.0
113.50729	2.1
117.07010	4.3
119.08587	46.4
121.06509	2.1
121.10146	40.7
123.08055	2.3
123.11714	14.1
125.09601	4.4
129.07047	3.2
131.08575	11.6
133.10127	40.8
135.08081	2.5
135.11700	37.8
137.09654	2.7
137.13264	7.6
139.11111	2.1
143.08577	6.0
145.10120	18.6
147.08029	3.0
147.11684	27.8
149.13249	11.2
151.11192	5.4
153.09184	2.4
155.08562	4.0
157.10120	6.9
159.08136	2.4
159.11732	17.5
161.09518	2.4
161.13254	26.6
163.11258	2.9
163.14804	14.8
165.12782	2.8
167.08665	2.6
169.10115	4.8
171.11678	5.4
172.12357	2.3
173.09589	2.5
173.13234	10.9
175.14856	14.8
177.16385	6.2
179.14291	15.9
181.10075	3.8
183.11737	3.4
185.13297	3.7
187.14893	12.6
189.16382	30.1
191.14423	3.1
191.17911	10.2
193.15842	7.2
195.11722	2.8
197.13280	6.3
199.14799	5.1
201.16431	9.6
203.17996	9.3
205.15828	2.6
207.11743	2.4
207.17456	55.9
209.13303	2.6
211.14873	4.1
213.16452	4.0
215.17970	9.9
217.19469	3.5
219.17403	2.5
221.13234	2.2
221.19080	4.1
223.14891	2.3
225.16457	2.8
227.17947	3.3
229.19566	12.1
233.18990	4.0
247.20641	4.1
261.22153	3.8
295.20114	2.0
313.32962	9.5
329.28079	2.0
357.35638	6.6
383.33298	26.7
391.14438	2.0
401.34268	100.0
402.34259	2.6
419.23666	4.9
419.28571	6.4
419.34805	50.8
419.39532	17.8
420.35666	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	419.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80164	0.3
53.24950	0.3
55.01858	0.9
57.07062	1.1
60.32869	0.3
67.05496	0.4
69.07059	0.6
69.34356	2.8
71.08625	0.6
81.07043	0.4
99.00813	0.7
99.04443	4.4
107.04923	0.9
111.04430	3.4
119.08584	0.4
125.05987	11.6
125.29438	0.3
128.93074	0.3
131.08554	0.4
141.05463	4.9
141.15508	0.3
149.02342	0.4
153.05460	100.0
154.05788	0.9
167.07089	0.8
173.29604	0.3
181.08578	0.3
227.16570	0.3
336.13962	0.3
419.35178	29.2
420.35681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3517
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03925	3.1
55.01880	1.5
55.05258	1.2
55.05511	15.0
57.07078	21.4
65.03914	2.1
67.05508	8.8
68.99805	1.3
69.06720	1.6
69.07071	27.4
70.72786	3.0
71.08629	12.7
75.15856	1.2
79.05492	9.5
81.07056	16.3
83.04970	3.4
83.08614	17.9
84.08333	1.0
85.10184	6.4
89.06010	3.3
91.05481	11.1
93.07059	7.0
94.06340	1.1
95.04964	2.6
95.08598	13.2
97.06514	1.7
97.10161	10.1
105.07053	6.7
107.04973	2.2
107.08605	7.2
109.06517	21.1
109.10154	6.4
111.11727	6.5
117.07037	1.2
119.08575	4.2
121.06484	3.4
121.10126	4.2
123.04469	1.8
123.08045	4.5
123.11680	3.4
125.05982	7.3
125.13271	1.9
129.06970	1.3
131.08583	5.2
133.06450	1.1
133.10103	3.6
135.04420	13.8
135.08038	5.4
135.11664	1.7
137.05977	100.0
137.09605	1.7
139.07529	2.2
141.05467	3.7
145.10129	4.0
147.08003	2.2
147.11684	2.3
149.06036	6.5
149.09587	4.5
151.07538	14.6
153.05484	8.0
155.07018	2.5
157.10138	1.4
159.07991	2.3
159.11665	4.5
161.09662	2.4
163.07513	3.9
163.11247	2.5
163.14734	1.1
165.09135	6.1
167.10506	1.1
173.09645	1.5
173.13239	1.6
175.11102	1.3
177.09126	2.8
177.12802	2.3
178.95172	1.0
179.10730	5.4
180.55746	1.2
187.11235	2.0
191.10674	3.9
193.12227	9.9
205.12247	12.0
207.13814	2.8
219.13863	5.2
221.15375	2.1
233.15450	2.1
235.16837	1.8
239.75746	1.1
247.17056	1.6
249.18507	2.1
261.18500	1.7
263.19934	5.5
275.20053	3.3
289.21774	1.7
291.23257	1.9
305.24680	1.8
317.24884	1.3
319.26285	1.7
331.26407	1.7
345.27872	2.4
373.34363	1.9
383.33087	3.9
401.34128	76.0
419.35059	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	419.3521
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03949	2.1
55.05517	14.3
57.07076	22.3
65.03928	1.2
67.05507	9.7
69.07072	27.4
71.08634	15.2
76.95866	1.3
78.51524	1.1
79.05487	8.9
81.07061	19.5
82.38468	1.2
83.04983	4.7
83.08626	20.0
85.10182	8.0
91.05484	7.8
93.07057	5.5
95.03119	1.4
95.04962	1.6
95.08610	11.8
97.10181	11.4
99.04444	1.5
105.07028	5.5
107.04935	1.7
107.08599	6.1
109.06536	14.1
109.10154	6.1
111.11719	6.1
117.07031	1.5
119.08578	5.0
121.06535	2.7
121.10128	4.1
123.04452	2.8
123.08068	3.6
123.11695	3.8
125.05984	7.6
125.13233	1.6
131.08614	4.2
133.10182	2.5
135.04427	12.6
135.08034	5.4
135.11681	3.4
137.05984	100.0
139.07558	1.8
140.11526	1.3
145.10123	3.9
147.08064	1.5
147.11678	2.9
149.06049	6.8
149.09618	5.8
149.13280	2.0
151.07562	15.7
153.05493	5.2
155.07024	2.8
159.08064	1.4
159.11684	4.6
161.09538	2.6
163.07538	2.8
163.11179	3.6
165.09126	5.2
165.37547	1.3
173.09631	3.0
175.11234	1.7
177.09077	3.6
177.12682	2.0
178.12544	1.3
179.10663	5.8
187.11209	3.1
191.10689	3.4
193.10573	1.4
193.12227	9.8
205.12285	10.0
207.13829	3.7
219.13799	4.7
220.46159	1.3
235.16943	3.2
243.20825	1.4
249.18736	1.5
257.19141	1.7
261.18497	2.0
263.20044	5.9
275.20108	2.8
277.21756	2.4
291.23239	3.1
319.26236	4.0
345.28000	2.8
383.33093	4.5
392.79556	1.5
393.32095	1.5
401.34180	75.9
402.34479	1.6
419.29858	1.4
419.35052	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	419.3519
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01862	2.2
55.05515	11.3
57.07074	7.4
57.39611	0.9
65.03934	2.7
67.05504	8.7
69.07066	21.6
71.08618	5.1
71.27876	1.9
74.12036	0.9
79.05482	8.3
81.07059	16.3
83.04976	5.4
83.08609	12.5
85.10162	2.2
91.05485	11.9
92.16342	0.9
93.07033	11.8
95.04965	2.0
95.08604	15.0
97.10160	7.5
99.08072	1.0
101.72875	1.0
105.07037	3.2
107.04970	1.0
107.08598	3.5
109.06515	21.8
109.10176	5.8
111.08085	3.7
111.11730	2.9
119.08595	2.7
121.06593	1.1
121.10184	2.6
123.08057	2.2
123.11713	3.9
125.06007	6.7
127.07542	1.9
129.12761	1.2
131.08565	1.5
133.10123	2.3
135.08020	1.4
135.11638	1.5
137.05974	85.1
137.13245	1.4
139.07574	4.5
145.10147	2.3
147.11765	1.1
149.09619	2.1
149.13336	1.1
151.07532	15.8
153.09090	2.3
155.07059	4.8
157.10110	1.4
159.11667	1.4
163.11218	1.7
163.90717	1.0
164.06955	1.1
165.09113	8.7
167.10672	1.4
177.09155	1.2
177.12680	1.1
179.10699	6.3
181.12320	1.2
193.12254	6.8
195.13736	1.3
201.12732	1.6
202.19403	1.0
205.12250	3.3
207.13817	3.2
219.13861	1.6
221.15436	1.1
235.16873	1.2
249.18527	1.5
263.20081	3.2
267.72998	1.0
269.98300	0.9
270.01312	1.2
275.20251	1.4
277.21722	1.8
281.28482	1.0
401.34204	32.5
419.35187	100.0
420.35379	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	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.01850	1.1
55.05503	11.3
57.07075	18.9
59.05849	1.0
67.01849	3.1
67.05503	6.1
68.99792	47.2
69.06718	2.0
69.07070	23.4
70.78745	3.1
71.08633	15.3
79.05498	2.5
81.07063	9.1
83.01333	2.6
83.04965	2.6
83.08615	13.9
85.06545	32.4
85.10188	8.1
91.05487	1.5
93.07037	7.2
95.08610	12.2
97.06545	6.9
97.10175	8.8
100.57095	1.2
105.07027	3.0
105.35661	1.2
107.08579	4.1
109.06528	2.4
109.10155	5.5
109.10803	1.1
111.08070	3.9
111.11697	5.9
117.07005	1.4
119.08549	3.0
121.06526	1.3
121.10114	2.8
123.08044	2.0
123.11695	3.1
125.05967	12.0
125.09595	1.6
125.13276	2.1
127.07541	3.4
131.08575	1.8
133.10088	1.2
135.08075	1.8
135.11655	1.2
137.05942	3.5
139.07526	3.1
145.10161	1.3
147.11714	1.6
149.09689	1.4
151.07509	4.0
153.05464	9.1
153.09128	5.6
157.08669	1.1
159.11604	3.2
167.10657	2.4
169.08578	15.9
171.06529	100.0
175.11018	1.1
177.12729	1.5
179.10591	1.5
181.08607	3.0
181.12222	2.7
191.10675	1.8
193.12190	2.1
195.10129	7.4
199.90652	1.1
205.12236	16.0
207.13832	12.5
219.13799	8.8
221.15379	7.2
223.13141	1.3
233.15372	4.6
247.16847	2.4
261.18439	2.3
275.20126	2.1
279.19617	1.7
293.21143	2.6
345.27826	1.6
401.34137	59.7
407.30670	1.1
419.35254	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	419.3157
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
55.05513	8.1
67.05505	14.1
69.07066	11.2
70.85821	5.1
79.05502	8.5
81.07056	24.0
83.08624	4.7
91.05510	8.8
93.07047	26.0
95.04990	4.0
95.08606	52.8
105.07043	26.6
107.08591	41.4
109.10160	23.4
117.07060	3.2
119.08602	43.9
119.81309	3.0
121.10157	41.2
123.11718	12.4
131.08582	8.4
133.10141	49.9
133.11089	5.4
135.11693	28.6
141.35718	3.1
141.59004	3.0
145.10130	29.9
147.11699	54.7
149.13264	11.8
157.10127	7.1
159.11691	36.8
161.13290	13.8
163.14865	8.8
171.11653	7.4
173.13293	11.2
175.14847	11.3
177.16425	10.5
181.12178	7.4
187.14792	24.4
189.16385	100.0
191.17999	5.6
193.12213	18.8
195.03859	2.9
195.13812	7.8
199.14845	3.7
201.16408	34.7
203.18034	9.5
207.13826	9.1
207.17464	18.8
213.16457	3.9
215.17979	13.1
221.15326	3.5
229.19456	7.3
233.15424	4.0
235.16989	3.2
261.18564	5.1
275.20123	4.2
327.72650	3.9
365.28690	4.7
378.73041	3.4
383.29462	95.1
401.30499	12.5
419.24197	6.9
419.30197	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	419.1888
Annotation	Glu Arg Asp
Peak:m/z	Relative Intensity
50.36385	0.8
55.05510	0.8
60.75690	0.7
65.03963	0.9
69.03458	0.9
71.61662	1.2
79.05469	1.3
81.03419	0.8
90.48369	0.7
93.07033	0.7
94.65985	0.7
94.66743	0.7
105.07022	1.8
107.04955	2.0
109.10164	1.0
132.12172	0.8
145.06438	0.9
167.06947	4.3
177.05374	0.7
181.04988	1.3
187.07666	0.7
190.06299	1.1
191.07062	0.7
205.08589	1.8
208.05162	1.0
217.08675	1.0
219.10194	0.9
269.08014	1.7
315.08481	4.0
330.11038	6.8
383.15076	1.2
419.18851	100.0
420.19174	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	419.2428
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
55.05519	8.8
57.07060	5.9
65.03945	2.0
67.05513	10.1
69.07061	11.4
70.96971	1.9
70.97293	2.6
71.05001	1.9
71.08611	3.2
71.68359	1.3
76.44356	1.4
79.05487	6.2
81.03447	1.3
81.07062	15.3
83.04963	1.5
83.08622	4.6
85.06516	1.8
91.05508	7.4
93.07045	11.2
95.04946	1.9
95.08614	18.6
97.06503	2.4
97.10138	1.4
105.07009	9.1
107.08596	9.3
109.06486	1.8
109.10172	7.8
111.08089	2.8
111.44614	1.4
119.08591	8.8
121.06532	1.7
121.10133	6.2
123.11676	4.4
129.06998	2.6
131.08566	5.1
133.10123	6.1
135.08093	1.6
135.11684	4.8
137.13217	3.3
139.03886	3.5
143.08542	3.3
145.10168	8.2
147.11720	4.3
149.02367	1.9
149.09673	1.7
149.13263	2.3
153.01848	23.5
153.05486	2.1
155.08583	1.8
157.10077	6.2
159.07915	1.4
159.11696	5.7
161.09634	2.3
161.13248	2.6
163.03915	2.3
169.10033	2.5
171.11714	4.1
173.13249	3.0
175.14789	2.4
179.03355	8.4
185.13248	3.5
187.14832	2.4
188.27315	1.8
191.03511	1.7
191.07045	1.7
192.04173	7.6
193.04916	2.1
197.13281	2.3
199.14896	3.2
201.16374	3.4
205.04962	18.8
209.13428	2.0
211.14885	2.0
213.16393	3.6
219.06584	2.6
244.08197	1.5
253.19653	2.5
267.21133	1.7
289.14215	3.2
303.15961	3.0
317.17493	4.3
357.35852	2.6
373.13593	1.9
373.23740	52.1
373.27585	1.9
391.14542	2.0
401.23218	100.0
401.31082	2.9
402.23456	3.1
419.24161	11.4
419.28574	4.1
419.33932	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	419.1698
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01870	1.9
66.20618	2.1
70.85294	3.5
79.02754	1.8
79.05487	4.1
81.03381	2.2
81.07045	2.6
105.07036	3.5
107.04964	2.7
127.30273	1.6
132.30383	1.7
140.53290	1.7
145.06468	3.0
153.05510	2.2
161.06055	3.1
167.07053	14.9
173.06081	2.0
181.04967	6.1
183.29195	1.8
205.08614	4.4
208.05255	3.0
217.08636	3.5
247.09721	3.2
248.26637	1.8
269.08102	4.5
315.08691	13.8
330.11035	18.1
351.12256	2.1
359.27667	1.9
383.15109	2.3
419.18881	100.0
420.19354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82274	0.4
62.47665	0.4
62.92841	0.4
69.03424	0.6
70.17170	1.6
70.17554	0.9
76.35101	0.4
78.22952	0.5
85.02911	0.8
86.09712	1.0
98.97596	1.0
119.82167	0.4
147.14455	0.5
163.03899	0.7
219.01775	1.1
234.98831	0.5
237.02710	0.6
287.11069	3.5
364.11771	0.5
419.15250	100.0
420.15594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92915	0.9
53.03934	1.2
53.67469	1.0
56.96565	3.3
57.03435	2.3
63.93704	1.1
64.26823	1.0
69.03426	2.5
71.04994	2.2
71.33333	0.9
71.61427	1.5
73.02904	2.9
79.05490	1.1
84.96036	1.9
85.02899	6.7
86.09707	7.0
87.04494	1.0
91.05476	2.1
93.07045	1.6
93.33223	1.0
97.02910	3.0
98.97585	10.6
102.16241	1.0
105.07066	1.2
110.97582	2.4
116.98628	1.9
119.04931	1.3
123.04496	1.3
123.08134	1.3
127.03928	1.8
128.98560	2.1
131.47038	1.0
133.06453	1.8
137.05984	3.0
140.07083	1.7
147.04395	4.0
153.12758	1.8
158.99646	3.3
163.03935	1.3
165.09142	1.6
167.07130	2.3
177.00743	4.1
177.05391	1.5
182.08170	1.0
185.64204	1.0
189.00720	1.3
193.08600	1.1
219.01794	2.3
229.07169	1.4
237.02890	3.0
239.03767	1.2
241.04041	1.1
263.78210	1.2
269.10034	1.5
277.05118	1.0
287.08224	2.1
287.11313	1.2
305.09106	7.2
317.08444	36.3
318.08856	1.5
330.10999	1.3
333.25375	1.0
361.52728	1.3
419.15283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18468	1.6
56.96568	5.4
58.67611	1.6
61.02923	2.7
69.03429	4.7
70.95478	4.6
84.04504	2.1
85.02914	9.1
88.83089	1.6
97.02872	3.4
98.97597	12.2
103.05469	7.4
107.04955	14.4
110.06042	5.9
110.97573	2.5
115.08984	1.7
116.98611	7.0
120.08109	100.0
124.03954	2.9
124.07610	2.0
127.03951	6.9
131.04918	2.6
145.05014	2.7
148.33736	1.8
149.05939	1.9
151.04050	1.8
158.99695	3.6
159.93140	1.8
161.01297	1.9
166.08649	44.4
170.99614	2.1
176.03247	2.1
219.01791	6.8
237.02736	2.8
273.06357	2.1
320.07263	6.3
338.08289	2.0
418.13766	2.5
419.06293	2.4
419.15155	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	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.5
70.01627	1.6
73.02919	0.6
74.43494	0.3
85.02895	0.6
97.02903	0.4
98.97566	0.5
127.03928	0.5
129.18805	0.4
136.40691	0.4
163.03932	0.5
180.76790	0.4
223.87703	0.4
257.10083	0.6
287.10992	2.4
357.11426	0.4
419.15240	100.0
420.15619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67966	0.3
57.03438	2.0
57.19905	0.3
61.02932	0.4
61.34963	0.3
64.40631	0.3
65.03928	1.2
66.75768	0.3
67.85194	0.3
69.03418	1.1
71.04994	12.3
71.60531	0.4
73.02911	0.4
74.67789	0.3
79.63148	0.3
80.60593	0.3
81.03436	0.4
83.04978	0.4
85.02905	16.1
86.09718	0.6
87.04465	0.5
92.04990	1.6
93.90592	0.4
97.02888	1.4
98.97610	1.5
109.02992	0.4
110.06042	100.0
111.06348	0.5
116.98611	0.6
119.29380	0.4
124.03967	1.0
127.03930	0.7
129.05492	2.4
145.04976	0.8
147.06558	0.7
152.79692	0.3
163.03941	0.5
167.07143	0.4
177.00673	0.4
182.03354	0.4
187.02771	0.5
219.01747	0.9
237.02821	0.8
247.06448	0.5
263.99286	0.3
272.11292	16.5
320.07336	0.8
322.44330	0.3
418.17780	1.7
419.15149	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	417.3363
Annotation	3beta,5beta-Ketodiol
Peak:m/z	Relative Intensity
50.46271	2.9
55.01868	4.4
55.05516	19.9
57.03425	6.0
57.07067	11.4
62.14719	3.1
67.05500	33.1
68.44032	2.7
69.07063	25.1
71.32118	6.5
79.05495	26.6
80.81499	2.9
81.07056	68.2
83.04984	4.5
83.08605	9.4
85.06519	4.3
91.05492	25.1
93.07046	51.6
95.04977	4.6
95.08606	100.0
96.08857	3.1
97.06543	4.2
97.10159	7.8
98.98466	25.7
105.07038	32.2
107.08597	63.6
109.06512	6.7
109.10147	49.7
111.08077	6.3
111.11714	3.9
117.07008	6.8
119.08580	40.3
121.10146	60.6
123.08093	4.7
123.11701	25.5
127.07551	3.5
131.08568	9.3
133.10129	37.2
135.08055	3.7
135.11693	69.2
137.05966	4.7
137.09567	5.7
137.13277	9.2
143.08516	5.4
144.09285	4.3
145.10107	15.0
147.11702	34.4
149.09642	5.0
149.13255	34.7
152.70926	3.1
155.01044	36.2
157.10112	4.8
159.11714	29.8
161.13248	25.6
163.11121	5.8
163.14844	24.0
165.12782	5.8
171.11757	4.1
173.13251	7.7
175.14828	11.7
177.12769	16.7
177.16429	5.6
179.14265	7.0
181.12312	6.8
185.13309	4.8
187.14842	7.9
189.12750	3.2
189.16405	14.8
191.14311	6.9
191.17961	47.3
193.12283	3.4
195.13812	29.2
199.14816	3.9
203.17958	24.3
205.19563	2.9
207.11765	3.4
207.13808	9.2
207.17422	5.5
209.15329	14.8
215.17941	5.5
217.15958	3.7
217.19507	19.1
219.17525	5.2
221.15410	3.1
227.17896	3.9
235.16791	3.7
245.22647	7.4
263.23746	18.0
363.30453	3.4
381.31607	33.4
399.28485	4.5
399.32712	55.7
417.25317	3.4
417.34314	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Homaxisterol D1
Peak:m/z	Relative Intensity
51.63194	2.3
55.05513	8.3
57.07068	3.1
66.19804	2.2
67.05518	16.2
69.07066	10.2
70.19700	4.2
70.20087	5.7
79.05502	10.1
81.07065	31.1
83.08607	5.9
85.06541	5.0
91.05471	14.3
93.07055	29.8
95.05006	3.4
95.08611	46.9
97.06511	2.3
97.10190	4.3
101.06031	4.4
105.07040	29.2
107.08599	42.5
109.06494	2.9
109.10173	25.3
111.08098	6.6
117.07015	5.3
119.08589	39.3
121.10152	31.4
123.11724	18.3
125.05984	2.6
129.07071	3.0
131.08588	10.0
133.10146	41.9
135.11719	36.2
137.13319	6.5
145.10141	23.1
147.11681	30.6
149.09668	3.4
149.13257	10.8
151.11200	4.2
155.01097	2.7
157.10136	4.0
159.11693	19.0
161.13272	20.4
163.14838	10.9
171.11682	4.4
173.13295	15.9
175.14874	10.2
177.12834	4.6
177.16418	3.3
179.14319	7.0
187.14862	8.5
189.16394	26.7
191.14354	13.7
191.17940	12.9
199.14893	2.8
201.16460	8.2
203.17984	22.0
205.15891	3.4
207.13821	3.9
207.17439	26.7
209.15443	5.5
215.18073	7.1
217.19666	4.1
221.19115	5.6
227.18025	4.1
229.19585	2.7
231.20894	2.7
275.28906	3.3
282.75299	2.2
363.30524	7.0
381.31482	24.8
399.32748	21.4
417.33734	100.0
438.42215	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	417.3363
Annotation	3beta,26-dihydroxy-5-cholesten-7-one
Peak:m/z	Relative Intensity
53.03952	2.5
55.05511	11.9
57.03422	3.2
57.07066	6.7
58.89484	1.8
63.92245	1.9
65.03936	1.9
67.05506	32.1
69.07058	14.4
71.08643	3.5
71.85078	1.6
74.23026	2.2
76.07028	1.7
79.05496	19.2
81.07056	46.2
81.07508	3.4
83.04990	2.3
83.08630	9.9
85.06551	23.3
88.00927	1.7
91.05473	14.4
93.07049	31.3
95.04979	5.1
95.08611	58.5
96.76105	1.6
97.06539	4.0
97.10180	5.6
98.20659	3.1
98.98486	23.2
101.06051	2.6
105.07038	25.6
107.08591	37.5
109.06478	3.2
109.10153	39.9
111.08102	5.7
111.11733	3.2
112.81738	1.5
114.39611	1.8
117.07030	4.3
119.08585	58.4
121.10145	36.2
123.08063	3.4
123.11713	19.8
125.09676	2.5
131.08583	9.6
133.10135	35.9
133.11064	2.6
135.11705	34.3
135.12674	2.7
137.05968	2.4
137.09703	3.1
137.13313	6.5
143.08534	2.8
145.10110	23.8
147.11684	23.5
149.09676	2.2
149.13300	12.3
151.11258	3.3
153.12688	1.9
155.01045	30.6
157.10162	6.5
159.11702	16.6
161.13280	14.6
163.11128	2.7
163.14819	12.4
165.16328	1.7
171.11748	4.7
173.13306	8.3
175.14854	11.0
177.12776	9.5
177.16469	4.6
179.14360	2.7
185.13303	3.2
187.14847	7.4
189.16336	14.5
191.14331	2.9
191.17928	18.9
193.15878	2.3
194.10806	1.9
195.13861	3.4
199.14873	3.8
201.16492	8.4
203.17960	9.3
207.17471	20.3
209.15468	2.2
213.16420	4.9
215.18008	5.1
217.19559	3.7
219.17549	2.4
227.18112	2.6
229.19600	3.2
231.17770	2.0
241.19566	1.8
245.18776	1.9
245.22870	6.0
253.19661	2.3
257.19061	2.2
263.23672	13.9
273.45547	1.9
278.19775	2.1
323.27328	12.3
336.08975	1.9
339.26767	2.2
341.28574	6.0
349.28848	3.8
367.29962	9.8
381.31665	6.5
385.31302	3.5
399.32922	9.5
417.33810	100.0
418.34378	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	417.3364
Annotation	Griffinisterone H
Peak:m/z	Relative Intensity
52.03876	2.2
55.05508	8.8
57.07063	2.4
60.88039	2.2
67.05506	13.8
69.07070	13.4
71.08640	2.6
71.31802	3.1
71.32147	4.5
79.05492	14.2
81.07062	38.5
83.04996	4.0
83.08601	6.1
85.06532	4.5
91.05451	16.4
92.61806	2.1
93.07047	40.3
95.04971	3.2
95.08038	3.3
95.08609	48.2
97.06514	7.0
97.10167	2.9
99.08105	3.0
105.07026	26.0
106.64575	2.1
107.08596	60.9
107.54478	2.3
108.27747	2.3
109.06504	3.2
109.10159	22.1
111.08077	3.6
117.06983	3.0
119.08577	37.8
119.32528	2.2
121.10146	29.8
123.08039	3.8
123.10912	2.2
123.11690	14.4
125.09619	2.6
131.08557	11.2
133.10127	34.3
135.11703	40.5
136.35947	2.2
137.06001	2.6
137.09607	3.4
137.13258	5.4
143.08531	2.2
145.10126	13.3
145.33549	2.0
145.55861	2.1
147.11665	27.2
149.13264	40.3
151.11093	3.9
157.10129	6.3
159.11708	23.6
161.13237	12.5
163.14832	14.2
165.12744	3.6
171.11682	6.1
173.13342	10.8
175.11111	2.2
175.14835	8.7
177.12755	100.0
177.16243	3.3
179.14262	2.4
183.11740	3.0
185.13252	3.4
187.14816	7.9
189.16386	51.7
191.14313	7.1
191.17891	9.3
193.15822	2.9
195.13812	3.6
199.14873	4.0
201.16426	8.2
203.18016	12.3
205.15717	3.2
207.17441	97.0
213.16464	4.3
215.17975	6.0
219.17413	4.7
220.17679	6.5
221.18994	3.2
225.16597	2.2
227.17984	3.6
229.19585	3.2
280.42770	2.3
363.30386	3.7
381.31573	17.7
399.27536	4.6
399.32532	57.5
400.32553	2.4
417.33731	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
54.90091	2.7
55.05511	19.3
57.03427	7.1
57.07070	7.4
59.95922	2.4
62.14635	3.0
67.05163	5.0
67.05507	58.9
69.07063	22.4
71.62591	4.0
75.00408	3.0
79.05499	26.2
81.03418	2.8
81.07062	73.8
83.08619	17.4
85.06534	7.5
91.05489	15.6
93.07050	30.7
95.04967	6.8
95.08607	78.5
96.36467	3.0
97.06527	8.3
97.10163	7.5
98.98470	83.7
99.08064	3.9
105.07028	21.0
107.08589	24.0
109.06541	3.9
109.10162	45.8
111.08105	3.8
113.09643	3.1
117.07037	2.7
119.08577	19.2
121.10153	26.0
123.08057	4.6
123.11727	21.5
125.06024	3.7
125.09669	4.8
131.08543	4.1
133.10168	14.3
135.11681	16.6
137.05972	5.0
137.09601	3.3
137.13252	8.6
139.07535	2.7
145.10121	5.6
147.11705	12.4
149.13255	9.9
151.14796	6.1
153.05408	3.1
155.01041	100.0
159.11676	4.0
161.13257	9.8
163.14859	11.1
165.16447	5.1
171.06470	3.0
175.11281	2.9
175.14815	7.5
185.13240	3.6
189.16440	4.4
193.15764	3.0
203.17886	3.4
207.17540	4.3
245.22655	22.9
263.23721	52.8
275.27277	2.9
381.27695	3.3
399.32541	8.4
417.26297	8.7
417.34436	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	417.3
Annotation	12beta,22-Dihydroxy-24-methylscalar-17-en-24,25-olide
Peak:m/z	Relative Intensity
55.05508	8.2
56.96563	1.9
57.07069	3.4
61.89581	2.0
67.05505	12.7
69.07069	13.6
70.53509	1.7
71.60897	3.2
79.05502	11.5
81.07049	21.9
83.04977	2.4
83.08620	7.5
85.06563	3.0
91.05485	13.8
93.07050	26.6
95.04969	3.7
95.08606	38.7
97.06546	5.2
97.10185	3.2
99.11682	1.9
105.07033	25.3
107.08592	38.2
109.06505	4.7
109.10145	22.8
111.08068	3.3
117.07026	6.2
119.08588	41.3
120.08903	3.3
121.06512	2.9
121.10152	30.4
123.08076	5.3
123.11710	13.4
129.07039	2.6
131.08563	12.2
133.10139	33.3
135.08072	4.5
135.11697	28.6
137.09621	2.9
137.13286	3.7
142.07800	2.0
143.08549	7.2
145.10136	21.8
147.08067	2.6
147.11699	25.1
149.09648	11.1
149.13278	5.7
151.11174	6.3
153.09160	2.9
155.08539	2.3
157.10141	8.2
159.08075	4.0
159.11710	20.6
161.09633	7.4
161.13246	10.0
163.11188	5.2
163.14844	7.4
169.10211	4.3
170.10928	2.1
171.11699	9.3
173.09578	2.5
173.13243	8.4
175.11131	2.7
175.14835	4.8
177.09129	18.5
177.12759	5.2
177.16397	2.3
179.10675	23.5
183.11638	3.5
185.13240	5.9
187.14864	7.8
189.16391	16.2
191.10703	2.5
191.17899	9.3
193.12262	6.6
195.13823	2.7
199.14845	10.6
201.16377	8.6
203.10706	3.2
203.14229	2.0
203.17934	3.9
205.12247	2.4
205.16022	2.2
207.17477	7.1
209.11697	11.3
211.14888	4.7
211.58815	2.1
213.16357	8.1
219.13799	3.3
225.16380	2.7
227.17873	3.2
237.14763	3.3
245.15349	4.3
251.16460	2.7
257.15652	2.0
259.17014	3.0
271.16873	2.0
287.20056	2.0
314.75888	2.0
339.26831	3.4
353.28214	2.8
373.23621	5.2
381.27820	23.9
399.28922	100.0
417.22037	3.3
417.30072	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
56.96552	2.2
57.03425	7.9
61.02922	2.0
65.03932	2.7
69.03428	5.5
70.06589	3.0
71.04993	41.2
71.61303	1.7
72.08154	5.5
73.02898	2.9
75.04475	5.5
79.05492	4.3
81.03426	3.6
81.07079	2.4
83.05009	8.7
85.02907	81.8
85.06547	2.4
86.09715	9.8
87.04461	1.9
91.05476	33.9
93.07069	3.8
95.08598	2.7
97.02901	9.9
98.97624	2.2
105.07037	6.7
107.04964	5.3
107.08594	2.8
107.18144	1.7
109.02878	3.6
111.04441	4.4
116.76762	1.9
117.07049	3.4
119.08624	2.5
121.10136	1.8
123.04457	2.1
123.08100	2.0
125.06011	1.9
127.03954	5.2
129.05482	26.8
132.49393	1.9
133.10118	2.5
134.08136	1.9
137.06021	2.6
145.06537	3.5
147.06493	13.0
156.05746	2.4
161.09637	4.6
163.11179	1.7
165.09085	2.9
167.07050	20.9
175.07559	1.9
181.04974	10.6
188.95480	1.8
202.06189	1.9
217.08679	9.7
218.05760	2.2
219.17255	2.5
233.08133	6.4
237.14879	3.5
255.15845	2.2
285.07462	2.1
355.11859	2.8
367.12073	2.2
387.14542	2.8
399.14896	3.2
417.17249	100.0
417.28516	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	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59090	0.4
53.03943	0.5
54.94498	0.4
55.01862	0.9
65.03918	1.5
67.05476	1.1
69.03414	1.0
71.30692	0.7
71.31036	0.4
78.04714	3.5
79.05505	2.0
81.03393	0.6
81.07049	1.1
85.02890	1.5
91.05452	1.6
93.03401	0.6
93.07005	0.5
95.04939	1.4
95.08560	0.6
96.05767	0.4
97.06509	1.0
97.81736	0.4
103.05463	1.8
105.03416	0.4
105.06993	0.9
106.04166	2.2
107.04942	2.6
108.02088	0.5
108.72343	0.4
109.02858	0.6
109.10122	0.5
110.03653	0.9
111.08082	0.4
115.05439	4.0
117.07012	5.5
119.08561	0.7
122.03568	0.3
122.66738	0.4
123.04440	8.7
124.05217	2.0
125.06002	0.6
127.05431	0.7
131.04933	0.9
133.02754	0.4
133.10059	0.4
134.03627	0.7
135.04424	0.6
137.05911	0.6
138.03134	0.4
142.02626	0.8
143.04980	0.5
145.06487	8.2
145.10062	0.6
147.04398	0.5
147.08109	0.6
148.05159	0.4
151.03886	1.6
152.04695	1.9
153.05440	0.5
155.06030	4.3
156.05612	0.5
156.73302	0.4
161.05978	0.8
165.05493	0.5
167.07037	100.0
168.07364	1.2
171.06473	0.7
172.05212	0.5
173.05978	14.7
175.07521	0.7
179.79425	0.4
181.04951	21.0
183.29846	0.4
191.07045	1.1
201.05453	0.7
205.08604	3.0
217.08620	1.0
233.05800	0.6
233.08049	10.0
235.09695	3.1
237.58186	0.4
245.08231	0.4
323.09164	0.6
369.13470	0.5
385.10419	0.5
387.14368	12.5
388.14786	0.6
417.15451	26.9
418.15790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
52.11288	0.4
53.03931	1.0
53.46730	0.4
55.01848	1.5
55.05496	1.0
55.05746	0.4
57.27186	0.4
65.03939	3.6
67.05493	2.2
69.03404	0.9
69.07043	0.7
69.66455	3.0
78.04704	3.0
79.05499	3.5
81.03352	0.8
81.07034	1.9
82.04189	1.3
85.02897	2.9
90.33683	0.4
91.05476	3.1
93.03399	0.8
93.07017	1.1
95.04982	2.4
95.08569	1.7
97.02904	0.6
97.06528	1.3
102.04666	0.7
103.05470	7.4
105.03385	1.1
105.07002	1.6
106.04149	1.8
107.04956	5.5
107.08586	0.8
109.10181	1.1
110.03643	1.0
111.04403	1.2
115.05466	4.1
117.07012	5.3
118.04150	1.8
119.04984	0.9
119.08555	1.4
121.06497	1.6
121.10136	0.9
123.04439	8.3
124.05178	2.3
125.05963	1.9
127.05429	0.9
129.07024	0.8
130.04109	0.9
131.04932	6.8
131.08543	0.5
132.05728	0.5
133.02843	0.6
133.06494	1.7
133.10095	1.1
134.03618	1.5
135.04384	0.5
135.08017	0.6
137.05992	1.3
138.03064	0.7
142.02618	0.6
143.00183	0.5
143.04903	0.6
144.05688	1.0
145.06488	9.1
145.10155	1.0
146.03607	0.6
147.04344	0.7
147.08070	0.9
147.11771	0.5
148.05196	4.7
149.05975	1.3
151.03882	2.0
151.07553	1.1
152.04697	1.7
153.05475	1.5
155.06024	3.7
156.05809	0.6
159.08080	0.7
161.06004	0.9
163.07555	6.2
167.07042	100.0
168.07365	0.7
171.06560	1.7
173.05981	13.3
175.07571	0.9
176.04680	1.0
177.05458	1.0
181.04959	47.0
183.06262	0.6
187.07510	1.0
190.06291	0.4
191.07025	22.0
193.08575	1.4
194.05736	0.6
195.06514	1.2
201.05513	1.0
203.06992	0.6
205.08565	3.4
207.06380	0.8
209.08070	4.2
217.08565	1.1
218.05556	0.6
219.10197	1.1
231.06267	0.5
233.08090	8.5
235.07573	0.9
235.09642	3.9
263.09225	1.0
295.09647	0.6
299.05646	0.6
313.03458	0.9
329.10583	0.5
339.11929	0.7
357.13272	1.2
367.11923	0.7
381.13379	1.4
385.12991	1.1
387.14368	11.8
387.19168	0.9
399.10327	0.8
399.14771	0.9
417.15543	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
55.01860	9.3
55.30286	6.1
56.96555	25.0
57.03430	17.8
57.07092	6.6
61.02922	14.9
69.03441	35.0
69.81502	24.8
69.81911	16.4
70.06573	13.6
71.36610	6.9
73.02907	19.8
81.03416	14.7
84.08135	16.2
85.02900	86.1
87.04443	14.6
87.60123	8.3
97.02893	47.6
98.97583	69.9
99.04427	8.6
99.08115	10.7
101.00903	14.5
109.02872	14.8
110.97590	15.1
113.00912	10.0
115.03921	6.6
116.98607	23.8
119.01875	23.8
121.06512	36.3
122.06811	12.9
123.05558	7.9
126.05502	16.7
127.03915	25.5
127.04861	7.4
128.98549	15.8
131.01906	19.7
133.03452	9.5
134.99658	9.0
135.04417	8.7
136.06166	19.0
136.93100	7.4
138.09268	7.4
142.52277	6.2
143.01900	51.5
145.03482	12.3
145.04956	15.3
145.07095	8.6
152.07129	7.8
154.94182	20.2
155.01866	21.3
155.02982	10.2
156.97458	10.0
157.01692	9.8
157.03436	13.6
158.99646	22.4
161.02979	50.3
161.06726	9.6
163.03911	37.3
164.04314	8.0
170.99632	8.5
172.95227	22.4
173.02994	18.3
173.06592	7.4
174.98470	9.4
175.08202	9.4
177.00719	13.1
182.99609	6.7
185.03073	13.3
187.08095	8.9
189.00490	8.8
191.03897	18.9
198.98526	53.1
199.02681	7.0
199.06479	6.4
199.08183	25.4
200.04395	20.6
203.04025	20.4
211.04524	9.8
211.08138	7.2
214.96318	11.6
215.07678	6.7
217.09154	20.0
219.01788	43.5
221.05061	43.5
227.01753	11.2
229.09280	12.5
230.32426	7.3
234.99124	8.7
237.02869	47.6
237.05185	9.6
240.99496	13.7
241.09190	8.8
245.05075	14.5
246.05696	24.7
255.04732	29.1
261.02765	9.9
279.03940	7.2
281.07318	19.7
288.10611	10.8
289.11246	13.9
301.01642	12.1
305.10797	16.5
316.99335	14.4
319.12387	92.8
326.21960	6.9
327.08517	9.1
335.00519	7.4
357.08514	7.4
417.04666	10.4
417.09912	100.0
417.13846	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	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01861	0.7
59.68448	0.3
65.03946	2.1
67.05489	1.0
69.03403	0.7
69.07041	0.5
71.61404	0.5
76.42814	0.4
78.04697	2.7
79.05492	3.1
81.03432	0.4
81.07028	1.4
82.04217	0.8
83.04887	0.4
85.02890	1.5
86.93535	0.4
91.05467	1.3
93.03406	0.5
93.07026	0.7
93.76385	0.3
95.04951	1.4
95.08556	0.3
97.02879	0.5
97.06516	0.8
103.05463	3.1
105.03387	0.3
105.07029	1.1
106.04145	1.8
106.38180	0.4
107.04958	3.7
109.06492	0.4
109.10136	0.5
110.03639	1.3
111.04411	0.5
115.05467	3.4
117.07017	5.8
118.04195	0.4
119.08586	0.7
121.10136	0.5
122.03622	0.6
123.04426	7.4
124.05197	2.5
125.05991	1.3
127.05420	1.0
129.07002	0.5
130.04092	0.5
131.04930	1.5
131.08604	0.7
133.06459	0.6
134.03629	0.7
135.04399	0.4
135.08070	0.4
137.05954	0.6
138.03099	0.7
142.02597	0.8
145.05412	0.3
145.06480	9.5
147.07993	0.8
148.05136	1.0
151.03885	1.3
152.04654	2.4
153.05417	0.5
155.06020	3.3
163.07530	1.4
167.07033	100.0
168.07370	0.9
171.06496	1.3
173.05980	15.1
175.07532	0.6
181.04950	27.9
190.06183	0.5
191.06979	4.3
195.06520	0.8
201.05481	1.4
205.08641	4.0
217.08615	0.7
218.05583	0.7
219.17422	0.4
219.66177	0.4
226.06169	0.6
233.08078	8.6
235.09668	4.0
263.09235	0.6
293.08041	0.5
307.09607	0.8
355.11746	0.6
367.11438	0.4
373.17981	0.4
387.14365	12.7
399.14594	1.0
417.15448	27.6
417.24426	0.8
418.15643	0.7
420.87936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02362	0.5
52.03883	0.4
53.03936	0.9
55.01854	1.3
55.05505	0.7
57.03425	0.6
64.45975	0.4
65.03955	3.1
67.05486	2.1
69.03407	1.7
69.07041	1.0
70.31635	1.8
77.03912	0.6
78.04710	3.4
79.05487	3.5
81.03399	0.5
81.07082	2.4
82.04192	1.3
83.04991	0.8
85.02896	3.1
85.06554	0.6
91.05496	2.7
91.08787	0.4
93.03389	1.3
93.07018	0.9
95.04957	1.6
95.08607	1.2
97.02893	0.6
97.06503	1.6
102.04646	0.5
103.05464	7.3
105.03384	1.0
105.07032	2.2
106.04192	2.0
107.04968	5.3
107.08553	1.1
108.02093	0.4
109.02952	0.4
109.06492	0.9
109.10153	0.9
110.03687	0.8
111.04449	1.1
115.05449	4.2
117.07014	6.5
118.04152	1.9
119.04906	1.0
119.08602	0.7
120.02009	0.5
121.06559	0.8
121.10121	0.6
122.03665	0.9
123.04438	8.1
124.05223	3.2
125.05972	1.5
127.05417	1.1
129.07018	0.6
130.04109	0.7
131.04938	5.9
132.05757	0.5
133.02844	0.9
133.06438	1.1
133.10136	0.6
134.03571	0.8
135.08005	0.7
137.05977	1.2
138.03110	1.0
142.02592	1.0
144.05707	1.0
145.06490	8.1
145.10085	0.6
146.03610	0.5
147.08046	0.9
147.11688	0.6
148.05180	3.3
149.06009	0.6
151.03918	2.3
152.04683	3.1
153.05452	1.1
155.06033	3.3
160.05199	0.4
161.06010	1.4
161.13326	0.5
163.07544	5.7
165.09169	0.5
167.07043	100.0
168.07449	1.0
171.06529	1.7
173.05991	16.2
175.07544	1.3
176.04697	0.7
177.05432	0.6
177.09082	0.6
179.07121	0.6
181.04962	44.4
185.05988	0.5
187.07504	0.7
191.07034	16.5
191.10712	0.6
195.06531	1.5
199.88562	0.4
201.05565	0.7
205.08597	3.5
209.08086	0.7
217.08643	1.6
219.10205	1.0
233.08093	8.8
233.10341	0.6
235.09631	3.2
241.08548	0.4
245.07977	0.6
251.06847	0.6
262.06345	0.4
263.09195	1.1
265.08612	0.7
309.07596	0.6
329.10284	1.1
339.12250	0.7
344.12729	0.6
367.11871	0.7
371.14911	0.7
385.12610	0.9
387.14429	11.7
388.14890	0.5
399.14597	1.2
417.15524	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
56.15652	2.7
57.03432	11.7
69.03422	9.2
70.36887	9.1
71.04993	65.0
73.02904	2.6
73.06543	17.5
75.04490	5.7
75.51154	2.4
81.03390	5.3
83.04972	6.9
85.02905	100.0
85.03423	5.4
86.09698	3.3
91.07590	3.8
92.05774	3.0
97.02878	10.5
97.06581	2.5
98.97601	6.7
110.06026	4.5
111.04440	9.2
127.03896	8.6
129.05484	38.7
137.06084	3.6
145.04962	5.5
147.06500	20.0
150.09137	3.1
164.06981	3.3
164.09210	3.8
178.08611	7.9
206.08153	8.5
224.09119	8.6
254.10435	4.1
255.08438	3.0
391.81940	2.8
398.14026	3.0
416.12051	4.0
416.16095	3.8
417.13721	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	415.3572
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03933	5.3
55.01852	5.3
55.05510	20.6
56.96558	8.0
57.03419	4.2
57.07079	7.3
63.09044	4.4
65.03916	5.5
65.83086	3.7
67.05501	30.2
68.87591	3.8
69.07069	35.8
71.08626	4.7
71.61893	6.1
79.05495	28.8
81.03410	4.7
81.07061	72.5
83.05028	3.8
83.08608	17.3
91.05470	32.6
93.07052	58.1
95.04958	9.7
95.08043	7.6
95.08607	100.0
97.02880	6.5
97.06508	7.0
97.10154	9.1
97.86259	3.6
98.97548	5.9
99.08097	30.1
105.07027	48.2
107.08598	83.0
109.06539	10.0
109.10157	65.8
109.95389	3.9
111.08067	8.8
116.98615	5.0
117.06989	9.6
119.08586	74.8
121.06537	5.0
121.10149	53.5
123.08118	8.6
123.11715	30.5
125.09583	7.4
131.08540	18.3
133.10129	53.3
135.11682	46.4
137.09595	6.3
137.13234	6.1
139.11172	7.2
143.08548	13.2
144.09261	3.9
145.10129	27.4
147.11659	34.4
149.09578	4.8
149.13274	26.0
151.07562	5.1
151.11176	6.1
153.01797	6.2
157.10086	13.9
159.11699	28.7
161.13252	36.4
163.14809	25.1
164.15425	4.3
169.10088	6.3
171.11650	9.1
173.13275	26.0
175.11180	5.0
175.14865	20.5
177.16344	9.6
179.14317	13.5
181.15819	5.7
185.13226	12.1
187.14824	24.4
189.16324	23.5
191.14311	15.9
191.17888	13.2
199.14838	10.0
201.16425	9.9
203.17969	26.9
205.15857	7.5
207.17419	14.3
213.16287	6.4
215.17964	11.3
221.18956	9.3
225.16347	6.2
229.19379	6.5
233.18941	4.5
241.19540	5.9
243.09013	4.9
245.05055	7.3
247.20712	4.9
253.19638	5.4
255.20944	5.9
261.22156	7.8
275.23691	5.8
301.25256	6.8
379.26157	6.8
379.33542	5.6
382.31671	5.4
397.27466	8.8
397.34686	76.2
407.97134	4.4
415.27853	27.8
415.35791	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	415.3208
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05507	4.6
57.07082	4.8
67.05489	16.4
69.07070	13.0
70.68733	5.4
70.69081	6.1
71.95033	3.0
73.06800	2.6
79.05492	12.6
81.07052	27.0
83.08630	6.3
91.05487	12.0
93.07048	30.5
95.05003	3.7
95.08609	52.1
97.06532	5.0
97.10191	5.3
101.20094	2.7
105.07030	28.1
107.08598	33.4
109.10165	29.4
113.79654	2.8
117.07041	3.2
119.08580	48.7
121.10159	31.1
123.08060	3.2
123.11748	9.0
131.08586	5.7
132.54541	3.3
133.10146	24.7
135.11694	24.2
137.13280	6.6
145.10149	14.1
147.11694	27.4
149.13286	11.3
151.11127	3.4
153.12837	3.0
157.10158	5.8
159.11670	17.7
161.09651	6.0
161.13255	19.5
163.11131	3.3
163.14835	8.2
171.11726	4.6
173.09563	3.0
173.13272	6.1
175.11223	6.2
175.14865	8.6
175.37892	2.8
175.65230	3.1
177.12689	3.3
177.16304	6.6
179.14432	3.2
185.13321	6.1
187.14932	3.6
189.12802	6.4
189.16434	11.5
191.14394	5.0
191.17943	31.2
193.12433	4.0
199.14775	4.6
201.16460	10.0
203.17982	15.7
207.13954	6.3
207.17439	8.1
217.19502	5.8
243.17690	3.6
379.30054	13.2
397.31076	39.2
415.32190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03767	1.9
50.16415	2.1
53.03955	4.0
53.63446	2.1
55.05517	24.1
56.96560	6.7
57.03453	2.3
57.07061	2.9
67.05505	22.9
69.07065	22.3
69.51848	17.3
71.04994	7.4
73.02933	2.7
75.76099	2.3
79.05484	21.4
81.07059	51.3
83.04999	4.4
83.08623	9.9
85.06558	6.4
91.05470	25.8
93.07052	47.3
94.33748	2.4
95.04951	5.7
95.08614	68.5
97.06505	4.5
97.10171	6.5
98.97594	18.9
99.04459	45.2
103.05460	2.4
105.07026	49.3
105.07671	4.5
107.08594	65.2
109.06508	5.8
109.10163	39.2
110.97543	3.7
111.08081	4.0
113.09651	2.7
114.17991	2.6
115.72120	2.4
116.98631	4.2
119.08579	81.5
121.06533	5.6
121.10149	43.7
123.08088	7.4
123.11709	20.0
125.09612	7.0
129.07033	3.9
131.08568	16.4
133.10133	100.0
135.08066	2.9
135.11693	32.6
137.05910	2.7
137.09604	5.3
137.13254	9.9
141.24280	2.9
142.07623	2.8
143.08603	9.1
145.10136	29.4
147.11684	68.4
149.09654	3.8
149.13223	16.2
151.11232	3.9
153.09100	3.0
156.09363	4.8
157.10135	13.0
159.11696	23.1
161.09636	3.2
161.13264	22.8
163.11211	6.6
163.14844	11.8
165.12656	4.4
169.10103	2.5
170.99608	4.2
171.11703	12.4
173.13319	14.5
175.11200	8.0
175.14757	13.2
177.00752	3.6
177.12785	5.1
179.14223	2.8
183.11574	5.0
185.13278	7.3
187.14775	14.4
189.00720	3.6
189.12776	15.5
189.16422	16.1
191.14307	5.7
191.17964	24.3
193.12262	39.1
195.11783	3.6
201.16414	15.0
203.14374	3.7
203.17982	12.0
205.12230	8.8
205.15892	2.9
207.13800	65.5
207.17360	4.4
209.15382	2.7
211.14888	4.0
213.16362	7.8
215.17984	7.2
217.19519	5.8
219.01817	7.1
221.15431	5.2
221.19151	3.0
231.01781	6.1
232.02229	3.2
235.16873	3.1
237.02998	3.9
241.19701	3.1
243.01790	3.6
247.16989	3.6
249.18530	4.3
259.16812	4.1
261.02979	5.3
261.18665	3.3
275.20016	6.7
279.04019	3.9
369.06903	5.6
369.31625	5.5
379.29907	7.0
397.31137	52.9
415.27432	4.4
415.32642	30.8
437.34125	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	415.3206
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.95469	0.6
51.10281	0.6
53.03941	0.9
55.05506	2.6
67.05506	4.8
69.03394	0.7
69.07079	3.0
71.61826	0.6
79.05494	3.2
81.07060	8.0
83.08616	1.8
85.06502	0.9
89.48969	0.6
91.05462	3.4
93.07043	8.9
95.08608	10.7
97.06520	2.9
97.10170	1.0
105.07034	7.9
107.08598	12.2
109.06513	1.2
109.10162	7.0
111.08060	1.2
111.25446	0.6
117.07005	1.7
119.08583	20.3
121.06497	0.7
121.10149	9.1
123.08037	1.2
123.11751	3.5
131.08562	3.8
133.10139	12.2
135.08057	1.2
135.11696	8.3
137.13245	1.2
143.08548	1.3
145.10133	7.2
147.11703	9.6
149.09627	1.7
149.13292	3.4
150.86670	0.6
151.11153	1.3
157.10130	2.2
159.11702	7.5
161.13240	4.1
163.11206	1.3
163.14833	3.0
165.12711	1.1
167.64418	0.7
169.10135	0.9
171.11670	2.8
173.13269	4.3
175.11189	2.6
175.14810	4.3
177.12709	3.0
177.16400	2.7
179.14302	1.3
183.11743	1.6
185.13232	1.4
187.14821	3.0
189.12753	1.9
189.16403	6.2
191.14278	3.4
191.18011	0.8
193.12206	1.7
197.13226	1.5
199.14854	1.8
201.12846	0.8
201.16377	6.5
203.14325	3.3
203.18007	2.0
207.13879	1.3
207.17487	2.4
209.13130	0.8
213.16447	1.5
215.17998	2.8
217.15820	1.3
219.17546	0.7
225.16460	1.5
227.14276	0.7
229.15837	0.8
231.17497	1.2
239.17905	1.4
243.17522	2.5
245.18979	0.9
253.19394	0.7
257.19098	0.8
269.18948	0.8
311.07813	0.6
332.02914	0.7
361.28818	0.8
379.30029	3.3
397.31046	2.1
415.32098	100.0
416.32413	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	415.3205
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
51.00306	0.4
51.47885	0.3
55.01900	0.4
55.05508	1.8
57.03432	0.6
57.07070	0.6
62.53657	0.4
67.05510	2.5
69.03451	0.5
69.07069	3.1
69.46294	3.5
69.47095	0.4
79.05508	2.7
81.07050	6.0
83.04964	0.5
83.08613	0.8
85.06541	0.7
87.09214	0.4
91.05472	2.6
91.43797	0.4
93.07043	8.0
95.08606	8.2
97.06538	1.6
97.10168	0.5
105.07033	6.9
107.08596	10.2
109.06485	0.9
109.10158	5.2
111.08079	0.7
111.11725	0.4
117.07028	0.7
119.08578	15.3
121.10155	7.5
123.08054	1.1
123.11704	2.0
125.09608	0.8
129.07007	0.9
131.08598	2.4
133.10121	9.2
135.08072	0.8
135.11690	7.8
137.09630	0.6
137.13264	0.7
143.08571	1.4
144.09338	0.5
145.10118	6.3
147.08095	0.5
147.10635	0.7
147.11700	8.6
149.09645	0.6
149.13261	2.8
151.11182	0.9
155.08501	0.6
157.10150	1.6
158.10890	0.6
159.11697	4.8
161.13277	2.8
163.11162	1.1
163.14799	1.7
165.12798	1.3
169.10114	0.6
171.11705	2.3
173.13219	3.6
175.11179	2.1
175.14799	2.8
177.12698	2.7
177.16409	1.9
179.14278	0.9
183.11725	1.6
185.13289	2.0
187.14861	2.2
189.12772	2.4
189.16373	6.0
191.14262	2.5
191.18001	0.9
193.12241	1.1
197.13268	1.2
199.14886	1.7
201.12697	1.0
201.16362	6.8
203.14369	2.8
203.17952	1.4
205.15929	0.8
207.17427	3.0
211.14804	0.9
213.16420	1.1
215.14250	1.1
215.18010	1.5
217.15884	1.6
217.19551	0.7
219.17432	0.5
225.16394	1.2
227.14156	0.5
227.17940	0.9
229.12373	0.5
229.15959	0.7
229.19398	0.5
233.19019	0.9
237.16281	0.5
239.18033	0.6
241.15970	0.5
241.39915	0.5
243.17517	2.6
245.18985	0.8
255.17383	0.6
257.19003	0.7
261.36621	0.4
271.20593	0.5
291.21133	0.4
323.23593	0.6
361.28970	1.4
379.29904	3.4
397.30988	1.5
415.32065	100.0
416.32513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3208
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
50.76375	1.1
53.03942	2.2
55.01886	1.4
55.05511	8.5
57.03450	1.3
57.07077	3.1
65.03941	1.2
67.05510	15.4
69.07071	14.2
69.32997	10.3
74.70912	1.1
79.05495	16.8
81.07056	33.0
83.04978	1.7
83.08619	6.5
85.02910	1.4
85.06543	3.5
91.05480	18.5
93.07045	38.2
95.04997	1.7
95.08610	47.7
97.06538	3.6
97.10182	3.0
98.21485	2.5
99.04468	1.7
103.05468	1.3
105.07034	28.2
107.08597	61.1
109.06519	3.0
109.10164	30.6
111.08073	2.0
117.07014	5.5
119.08585	100.0
121.10143	36.7
123.08076	5.0
123.11691	12.3
129.06966	1.9
131.08571	14.2
133.10124	39.5
135.08066	5.4
135.11703	34.5
137.09604	1.6
137.13275	6.3
142.07829	1.8
143.08562	4.9
145.10127	22.0
147.11691	33.8
149.09673	1.7
149.13264	15.9
151.07533	1.6
151.11185	16.6
153.09093	4.7
157.10168	6.0
159.11687	27.9
161.13263	26.5
163.11197	2.9
163.14838	8.9
165.12769	4.6
166.08105	1.3
167.10677	4.4
169.10167	2.0
169.12331	1.8
171.11739	4.4
172.12482	2.5
173.13274	16.4
174.14041	1.4
175.11197	4.0
175.14848	11.7
177.12727	4.9
177.16397	4.3
179.10684	1.4
179.14326	16.4
181.12265	4.0
183.11737	2.4
185.13304	5.4
186.13969	2.3
187.14784	15.9
189.12796	3.6
189.16379	31.9
191.14371	5.2
191.17928	4.1
193.12292	4.0
193.15892	3.5
195.12096	1.2
195.13849	5.1
199.14883	3.9
200.15671	1.9
201.12669	1.8
201.16405	16.9
203.14302	1.2
203.18018	5.1
205.15895	3.0
207.13850	3.7
207.17468	11.6
209.15416	4.0
211.14836	1.6
213.16418	3.8
215.17966	37.0
217.12415	1.4
217.15929	1.8
219.17564	1.3
221.15375	4.6
227.17923	3.0
229.15897	1.9
229.19498	17.3
231.17395	1.8
233.19032	5.6
235.17010	5.4
239.17897	1.7
241.19514	1.5
243.21077	3.9
245.15442	1.4
247.16960	1.8
247.20596	2.5
249.18510	6.2
255.21208	1.6
259.17023	2.8
261.18387	2.0
273.18646	1.6
275.20081	3.5
301.21652	2.2
313.21490	1.6
327.23041	2.6
355.26251	2.8
361.29034	1.8
379.30151	7.9
397.16656	3.6
397.31061	67.4
415.32397	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3205
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
55.05509	10.4
56.96560	1.7
57.07070	4.5
57.49187	1.6
59.04996	2.2
67.05509	13.2
69.00770	1.6
69.03428	3.6
69.07070	11.3
69.71397	6.4
69.71810	5.0
71.04986	2.3
79.05493	9.8
81.07055	26.6
83.04971	3.1
83.08633	6.9
85.06518	3.6
91.05459	12.5
93.07043	26.6
95.04974	2.6
95.08614	32.3
97.06525	3.0
97.10165	7.1
98.43877	1.6
99.04445	4.2
105.07035	22.9
107.04945	2.1
107.08599	30.1
109.06542	5.8
109.10149	24.7
117.07035	8.6
119.08585	57.6
121.06498	4.6
121.10136	20.8
123.08088	5.9
123.11726	11.1
125.09628	3.7
131.08560	13.0
133.10127	24.8
135.08075	4.8
135.11685	15.6
137.09651	2.2
137.13263	2.9
143.08603	3.2
144.09369	3.7
145.10150	15.9
147.08192	2.9
147.11697	16.5
149.09602	3.8
149.13260	11.9
151.11230	7.1
157.10147	6.2
159.11705	26.3
161.09645	2.2
161.13303	8.7
162.31670	1.6
163.11205	3.2
163.14877	4.2
165.12802	3.7
171.11708	5.6
173.13284	7.4
175.11238	4.2
175.14877	4.9
177.12761	16.4
177.16429	2.4
179.14430	2.1
185.13248	4.4
187.14870	7.9
189.16389	6.8
191.14383	4.2
191.18076	2.3
199.14827	2.0
201.12822	2.9
201.16469	6.1
203.14371	4.5
203.17975	3.8
205.19579	4.2
211.14886	2.6
213.12599	2.0
213.16457	3.1
213.90921	1.7
215.14340	3.8
215.17996	4.9
217.19533	2.1
217.27513	2.4
217.29927	1.9
219.17490	2.9
221.19154	1.9
227.18039	3.3
229.15862	2.7
229.19608	5.3
231.17538	1.8
243.17598	2.3
245.18959	2.8
255.17606	2.6
259.20407	2.4
379.29996	16.9
397.31055	55.6
398.30710	1.8
415.32224	100.0
432.90726	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	415.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.7
67.05482	0.8
69.03430	0.9
69.07072	6.4
69.87047	1.9
69.87463	1.5
75.05595	2.5
76.82272	0.6
79.05494	2.4
85.02942	0.8
86.06052	4.2
86.09703	100.0
94.40070	0.8
95.08645	0.9
98.20717	0.9
107.04965	2.9
107.17944	0.6
109.10087	0.7
114.05521	10.4
119.08601	0.9
124.23413	0.6
130.54735	0.7
132.10196	1.4
133.10071	0.6
136.75090	0.6
137.05977	0.9
143.11781	12.6
145.06509	1.1
147.11729	0.9
153.06577	0.7
161.13278	0.7
167.07028	7.0
167.08255	0.8
171.07645	3.1
171.11299	2.4
181.04951	5.6
195.06540	1.3
201.05501	0.9
205.08604	0.9
233.08101	1.2
238.15468	0.8
245.18703	1.1
256.16565	12.9
284.16116	3.9
379.70209	0.7
387.14499	1.9
415.13913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2323
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.03944	4.1
55.01862	3.9
55.05517	4.0
57.03419	5.9
59.04991	1.6
59.50173	1.6
61.02926	9.6
61.03180	2.1
67.05506	14.8
68.43568	1.8
69.03429	68.1
69.07051	3.9
69.48648	14.2
71.04988	5.1
72.08159	4.7
73.02906	5.3
79.05487	11.3
81.03418	11.7
81.07046	20.5
81.80368	2.2
83.04974	2.9
85.02907	74.2
85.06554	13.8
86.09714	9.3
87.04465	6.0
91.03963	5.1
91.05451	5.9
93.07040	28.1
95.04952	2.9
95.08615	10.0
97.02894	26.5
97.06538	4.1
98.20715	3.4
99.04449	5.9
103.05466	1.8
105.07018	14.4
107.04953	6.5
107.08591	15.2
109.02892	8.4
109.06498	5.3
109.10161	6.3
111.08058	8.7
119.04959	2.1
119.08577	14.5
121.06486	4.5
121.10147	23.9
123.08077	5.8
123.11700	2.1
125.09605	5.5
127.03920	18.4
131.08577	4.5
133.10124	20.2
135.08047	11.1
135.11703	2.2
143.08522	3.0
145.04958	15.2
145.10121	4.3
147.11673	7.3
149.09653	2.8
149.13254	2.4
151.11172	3.5
157.10097	5.4
159.11710	10.4
161.09578	4.5
167.07011	10.3
173.13286	3.6
175.11145	4.4
175.14845	5.7
177.12761	26.4
181.04933	6.9
187.14703	2.3
189.12656	3.7
189.16393	4.0
194.07837	1.8
199.14764	5.7
203.13979	1.9
205.15892	15.9
213.16019	1.8
217.15872	28.7
235.16920	100.0
253.18013	47.2
387.13882	2.9
415.15076	3.6
415.23257	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	415.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
56.52876	0.4
60.67919	0.5
65.03915	1.0
67.05475	0.9
69.03399	0.9
69.07022	0.9
71.61395	0.6
72.08130	1.1
79.05495	2.4
81.03385	0.6
81.07014	1.4
85.02901	2.2
85.03304	0.4
85.06503	0.5
86.09658	1.7
91.05434	1.1
93.07028	1.0
94.69102	0.4
95.04919	1.3
95.08580	0.9
97.02830	0.8
97.06493	0.8
97.49094	0.4
105.06984	1.0
107.04965	4.3
107.08525	1.4
109.02815	0.5
109.10087	0.7
116.07036	0.7
119.08547	0.6
121.06507	0.8
121.10101	0.8
122.03599	0.4
123.04372	0.6
124.05153	1.0
125.05923	0.8
127.03854	0.5
133.10091	0.8
135.07941	0.5
137.05862	0.4
137.60522	0.4
145.06355	0.9
158.99646	0.6
167.07042	9.7
175.11157	0.5
181.04965	6.9
195.06392	0.5
199.14766	0.8
201.05444	2.8
205.08490	0.9
233.08131	2.4
253.14008	1.8
253.17833	0.5
258.03134	0.4
261.09964	0.5
284.29025	0.4
298.11386	0.5
315.13113	0.5
387.14297	3.0
397.18033	0.6
415.18939	100.0
416.19287	1.5
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
52.31126	1.4
53.03926	3.0
57.03426	1.6
65.03934	6.6
67.05488	4.3
69.03423	2.8
69.57341	2.4
69.57764	4.7
71.05007	5.3
72.07740	1.0
72.08140	2.0
79.05051	1.3
79.05494	21.8
81.07032	3.3
82.04173	2.8
83.04912	1.0
85.02910	10.0
86.09689	2.2
91.05492	11.1
91.57992	1.1
92.05818	1.5
93.03408	1.5
93.07048	1.4
94.04208	1.5
95.04994	4.9
95.08583	3.6
96.93546	1.0
97.02872	1.4
97.06524	3.4
98.97588	2.9
103.05492	2.5
105.04528	1.4
105.07056	2.3
106.04185	1.4
107.04955	48.8
107.05692	2.4
107.08594	2.2
108.02092	1.7
109.10168	1.3
110.03644	3.5
111.04462	1.9
115.05435	3.7
116.06222	1.2
116.98652	0.9
117.07028	6.0
119.08611	3.2
120.02175	1.1
121.02882	1.4
121.06550	1.3
121.10130	1.1
122.03668	2.1
123.00785	1.3
123.04430	3.8
123.08066	1.0
124.05199	9.8
125.06002	5.0
130.37102	1.0
131.04942	1.1
131.08568	1.4
133.73178	1.0
137.05978	2.4
138.03085	2.2
142.02591	1.3
144.05667	1.8
145.06483	14.6
147.11658	1.3
149.05965	1.8
149.09619	1.7
151.03888	1.5
152.04660	4.4
153.05424	2.2
155.04887	1.5
155.06030	2.4
161.05994	1.7
167.07042	100.0
171.06514	2.8
172.05139	1.7
173.05986	4.2
181.04958	64.1
190.06204	2.5
195.06549	4.3
201.03741	1.5
201.05476	20.6
205.06726	1.6
205.08597	11.7
207.13837	1.5
217.15765	1.7
232.99664	1.0
233.08102	28.9
235.17058	1.7
261.07733	1.5
263.06857	1.2
277.08609	1.1
281.08130	1.2
337.10703	1.4
387.14389	36.5
388.14664	1.2
415.14081	8.0
415.19348	43.3
415.25723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.6
67.05486	1.4
69.03414	3.2
69.86613	4.9
70.06586	7.9
73.02908	2.4
81.03401	3.3
84.04487	1.6
85.02907	5.4
86.09712	2.7
97.02882	2.7
98.21432	1.5
98.97560	4.8
104.13284	1.2
109.02819	1.2
110.97559	1.5
111.04454	1.7
116.98598	1.7
127.03901	2.2
131.04921	1.3
132.10193	1.4
136.06117	1.2
137.03447	1.6
139.03920	1.7
145.04913	1.7
147.04309	1.8
158.99559	1.3
163.03917	5.8
167.07005	1.1
173.09181	3.2
177.00702	1.4
181.04892	1.5
181.12354	1.1
186.02609	1.0
189.05444	1.3
194.05571	1.6
207.06538	1.4
233.10001	1.2
283.07837	2.0
335.09552	1.4
358.07993	2.1
415.11926	100.0
415.79257	1.1
422.48221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
56.63346	3.9
56.96558	13.9
57.03426	10.1
60.43543	4.9
61.02909	8.8
69.03419	17.7
70.06575	4.4
70.11159	6.5
70.11557	13.6
73.02904	12.5
74.57060	4.5
81.03431	7.6
84.96052	4.9
85.02905	31.8
97.02882	16.7
98.97577	44.2
99.04496	5.4
110.97562	12.7
115.03890	5.5
116.98610	19.1
117.75189	4.0
121.06510	9.1
124.99139	4.3
127.03902	10.0
128.98611	12.1
134.99576	6.0
136.06181	50.1
136.93106	35.9
137.06667	20.7
143.00082	6.7
145.04929	9.2
146.99654	6.8
154.94151	78.2
155.01839	4.8
155.45450	4.7
157.01759	4.3
158.99684	11.3
161.01283	5.8
161.02866	4.5
161.72964	5.0
161.93037	4.8
163.03926	22.1
169.03473	4.8
170.99649	7.7
172.95241	100.0
177.00633	5.7
190.96284	21.0
196.95227	18.3
198.98430	8.0
201.00662	4.1
214.96286	79.4
219.01747	24.8
220.47643	3.6
221.05171	4.2
222.98694	4.2
226.96422	10.4
232.97336	13.2
237.02776	19.9
244.97365	13.6
256.97336	6.6
274.98297	8.1
275.06329	4.6
282.64868	4.6
295.04630	4.6
316.99429	63.4
317.10876	7.1
335.00522	25.3
355.17273	4.7
415.02341	4.8
415.10577	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	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75006	12.0
71.93924	10.7
83.72370	12.4
85.62567	9.8
87.51284	9.8
103.87416	11.5
111.89319	11.8
127.46964	11.6
138.62396	12.3
151.01422	12.4
151.16714	12.7
152.77689	11.6
363.79489	12.1
415.10110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
56.63346	3.9
56.96558	13.9
57.03426	10.1
60.43543	4.9
61.02909	8.8
69.03419	17.7
70.06575	4.4
70.11159	6.5
70.11557	13.6
73.02904	12.5
74.57060	4.5
81.03431	7.6
84.96052	4.9
85.02905	31.8
97.02882	16.7
98.97577	44.2
99.04496	5.4
110.97562	12.7
115.03890	5.5
116.98610	19.1
117.75189	4.0
121.06510	9.1
124.99139	4.3
127.03902	10.0
128.98611	12.1
134.99576	6.0
136.06181	50.1
136.93106	35.9
137.06667	20.7
143.00082	6.7
145.04929	9.2
146.99654	6.8
154.94151	78.2
155.01839	4.8
155.45450	4.7
157.01759	4.3
158.99684	11.3
161.01283	5.8
161.02866	4.5
161.72964	5.0
161.93037	4.8
163.03926	22.1
169.03473	4.8
170.99649	7.7
172.95241	100.0
177.00633	5.7
190.96284	21.0
196.95227	18.3
198.98430	8.0
201.00662	4.1
214.96286	79.4
219.01747	24.8
220.47643	3.6
221.05171	4.2
222.98694	4.2
226.96422	10.4
232.97336	13.2
237.02776	19.9
244.97365	13.6
256.97336	6.6
274.98297	8.1
275.06329	4.6
282.64868	4.6
295.04630	4.6
316.99429	63.4
317.10876	7.1
335.00522	25.3
355.17273	4.7
415.02341	4.8
415.10577	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	414.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38710	1.6
53.03948	2.3
55.01862	2.0
55.05516	2.0
56.96555	1.8
57.03179	3.1
57.03440	43.0
57.07070	2.7
59.05013	2.1
61.02928	14.7
69.03068	2.5
69.03433	38.7
69.07059	2.5
70.06601	11.1
71.01360	4.8
71.04985	4.4
72.08143	2.3
73.02919	100.0
78.55499	1.6
81.03426	5.6
81.07053	2.7
84.04507	6.2
84.08164	9.5
85.02906	78.3
85.06540	2.4
86.09702	6.0
87.04456	3.0
91.03955	3.8
97.02896	70.9
98.97588	9.0
99.04462	4.1
109.02882	5.8
109.10156	2.3
112.07616	2.0
115.03930	53.7
116.98655	2.9
117.78218	1.8
127.03930	24.7
129.10258	9.7
130.05000	4.2
132.06593	2.2
133.04980	15.6
144.06578	8.3
145.04968	39.0
147.04411	2.3
147.07675	3.5
150.07658	4.1
155.08177	5.1
158.99628	3.9
162.07610	6.2
163.06038	10.3
176.03447	2.1
180.08682	6.1
185.07922	1.9
198.32423	1.9
223.06113	4.3
239.08612	1.8
241.07249	4.3
259.08197	3.4
274.50674	1.5
293.58670	1.8
294.11969	2.5
312.89124	2.1
313.22318	3.3
370.10803	1.9
373.25461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.8
57.03437	28.2
61.02929	7.5
69.03434	56.6
69.26254	31.5
73.02914	33.3
81.03398	7.5
85.02411	6.2
85.02904	100.0
87.04454	32.6
91.03957	6.5
93.09404	2.8
97.02895	58.7
98.20749	5.6
99.04484	4.3
109.02870	7.7
115.03935	51.6
127.03902	26.1
133.04965	47.2
145.04944	50.5
150.07690	6.5
163.06023	21.7
214.04799	3.4
223.05852	3.7
241.07291	3.8
247.20547	3.6
259.08075	3.4
293.11414	3.2
384.41910	3.7
410.92459	3.3
415.19415	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	414.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
56.30486	3.6
57.03437	26.4
57.57227	3.3
59.79692	3.4
61.02922	12.9
69.03432	37.7
69.07085	4.2
69.87437	19.7
71.04990	9.1
73.02920	48.0
81.03417	6.4
85.02911	62.3
85.06057	7.1
85.06546	100.0
86.09711	6.5
87.04462	11.7
91.03955	4.6
97.02894	45.5
97.95152	4.0
98.21413	5.9
98.97574	15.1
103.06956	5.3
103.07584	67.3
107.04971	5.3
109.02841	4.7
110.02388	4.5
115.03941	45.9
127.03928	22.8
133.04948	20.3
135.04388	4.8
145.04945	34.9
163.03926	14.8
163.06075	9.8
166.08673	3.6
168.03941	4.8
172.95357	4.1
199.09714	5.3
212.09349	4.4
214.71793	3.2
217.10698	3.5
219.01851	4.5
229.10785	12.3
241.07005	5.5
246.05316	6.0
249.46977	3.9
333.11981	6.5
339.01663	4.9
375.98349	3.8
414.14270	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	413.3417
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03939	4.1
55.01883	5.6
55.05513	25.1
56.59111	4.6
56.96572	6.8
57.07056	11.0
59.04995	4.2
59.82235	4.4
64.84971	3.9
67.05498	43.2
69.07070	27.7
71.05002	6.2
71.60829	6.5
79.05491	30.1
81.06631	6.6
81.07059	66.2
83.04988	6.6
83.08625	15.8
85.06539	8.8
91.05487	36.3
93.07051	55.6
95.04961	4.6
95.08611	100.0
97.06547	6.3
97.10162	11.6
99.08102	54.8
105.07021	68.0
107.08599	95.4
109.06524	12.7
109.10166	57.2
113.09613	4.6
117.07027	19.4
119.08577	79.0
121.10152	58.8
123.08096	8.8
123.11718	26.3
126.60815	4.0
127.07576	27.4
129.06996	6.5
131.08592	37.6
133.10138	82.5
135.08063	5.3
135.11688	46.7
137.13255	18.1
143.08549	18.4
145.10130	47.6
147.08034	8.0
147.11696	44.8
149.09622	9.2
149.13271	42.9
151.11119	9.3
157.10092	17.6
159.08052	5.5
159.11681	42.9
161.13252	42.1
163.14825	21.5
165.09114	4.7
165.12753	4.7
169.10158	8.7
171.11690	21.8
173.13240	34.9
175.11177	7.5
175.14836	22.5
177.12772	5.7
177.16359	5.8
179.14314	12.7
183.11703	12.4
185.13261	18.5
187.14827	44.3
189.12704	4.5
189.16393	21.6
191.14267	12.0
191.17950	11.8
197.13336	7.8
199.14818	17.5
201.16405	22.7
203.14276	6.4
203.17960	18.6
209.13347	5.1
211.14754	6.0
213.16359	14.7
215.14262	5.0
215.17937	18.5
225.16335	8.5
227.18015	10.8
229.19508	10.0
235.14557	4.8
239.17958	8.8
241.19507	9.4
255.21185	5.8
259.20679	5.0
262.53030	4.5
299.23721	7.1
323.27347	11.6
325.25360	6.0
341.28442	8.2
372.42194	4.2
377.32101	10.3
381.19205	5.2
395.33322	90.8
413.26352	13.3
413.30215	32.6
413.34369	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	413.3415
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
55.05500	5.9
57.07076	9.0
65.03938	1.6
67.05503	22.0
69.03444	1.8
69.07070	16.5
69.69926	10.6
71.08601	1.8
79.05500	9.2
81.07057	73.8
81.65710	1.6
83.08615	5.9
91.05486	4.7
93.07039	12.7
95.08609	100.0
96.08932	2.5
97.06522	1.9
97.10175	4.6
100.80137	1.4
105.07017	9.1
107.08598	13.6
109.10162	33.4
115.23735	1.6
119.08591	7.1
121.10155	12.7
123.11723	21.0
131.08562	2.4
133.10141	6.5
135.11678	11.5
137.13261	74.9
137.52702	1.5
143.08624	2.2
145.10132	4.4
147.11687	7.2
149.13263	8.2
151.14821	5.9
157.10165	2.7
159.11732	4.9
161.13281	4.8
163.14854	5.4
171.11746	2.0
173.13266	4.5
175.11172	2.4
175.14766	4.1
177.12721	1.7
177.16380	2.5
179.17859	1.6
185.13287	3.0
187.14784	2.5
189.16470	1.8
191.17966	2.5
193.19511	2.3
205.19562	3.8
211.30476	1.8
217.19557	6.4
220.75060	1.8
227.17963	3.9
232.58142	1.8
244.52393	1.8
245.18927	9.7
253.19640	2.4
261.18460	3.9
263.20258	2.1
275.20053	2.7
293.16196	1.7
306.09027	2.1
394.61005	1.7
395.33371	2.6
413.29172	3.7
413.34509	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	413.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62066	0.7
52.91943	0.7
53.03947	1.5
55.05518	4.4
55.05742	0.8
56.96571	1.0
57.03409	0.7
57.07079	1.0
65.03929	0.9
67.05512	7.7
67.19068	0.7
69.03423	1.4
69.07065	6.7
71.04983	0.8
71.61671	1.3
75.54906	0.7
79.05482	8.3
81.03391	1.0
81.07058	15.1
83.08612	2.7
85.02902	1.6
85.06516	0.9
91.05462	7.8
93.07045	24.0
95.04955	1.6
95.08606	12.2
97.02887	0.8
97.06516	1.0
97.10155	1.1
98.97617	1.6
99.04458	1.0
99.08078	2.1
105.07027	17.9
107.08594	33.6
107.88783	0.7
109.06513	2.5
109.10151	5.8
110.97572	1.1
112.08472	0.7
115.55219	0.7
116.98646	0.7
117.06961	1.8
119.08578	20.2
121.10144	15.1
123.08066	0.9
123.11713	1.8
125.29421	0.7
125.32269	0.8
128.98596	0.9
129.06981	1.4
131.08572	8.5
133.10132	11.6
133.84773	0.7
135.08073	0.8
135.11700	5.6
139.03979	0.8
139.07556	0.8
141.06908	0.8
142.07736	1.0
143.08586	1.1
145.10097	8.7
147.11688	15.9
147.12776	1.4
149.13255	100.0
150.13573	2.4
151.07544	1.0
157.10139	2.9
159.11691	10.4
161.13245	22.8
163.11133	1.4
163.14828	3.2
165.09071	0.9
165.80757	0.7
169.10143	1.7
171.11705	2.5
173.09660	0.9
173.13237	3.8
175.11258	0.8
175.14833	7.4
177.16411	1.5
179.14299	4.8
183.11780	0.8
185.13205	3.0
187.14789	5.1
189.16367	11.3
191.10680	0.9
191.17949	1.1
197.13432	1.0
199.14844	2.0
201.16402	7.9
203.14297	1.2
203.17970	4.7
213.16333	1.7
217.15912	0.9
219.01628	0.9
219.17410	1.3
227.17845	1.2
229.16022	1.1
239.17892	1.1
247.17053	1.1
295.24081	1.3
322.67221	1.5
349.28961	2.6
367.30017	16.9
377.28448	1.5
395.29419	5.5
413.15668	1.4
413.30695	15.8
431.95959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3049
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
50.92242	0.5
53.03951	0.7
55.05516	2.9
57.07067	0.8
63.90839	0.5
66.58734	0.5
67.05501	4.1
69.03426	0.5
69.07068	5.1
71.04985	0.6
79.05503	5.0
81.07056	8.2
83.08615	1.7
85.06538	1.1
88.77062	0.5
90.54899	0.7
91.05475	5.4
92.99379	0.5
93.06458	0.9
93.07044	15.6
95.04962	1.2
95.08611	14.9
97.06530	2.8
97.10164	0.8
105.07030	11.6
107.08592	18.2
109.06512	2.3
109.10165	5.8
111.08041	0.9
114.88275	0.5
117.07004	1.7
119.08582	31.2
121.06506	0.8
121.10146	30.1
123.08063	1.8
123.11699	2.7
125.91015	0.7
128.55113	0.5
129.06985	0.7
131.08560	2.3
133.10136	19.6
135.08060	1.0
135.11699	21.5
137.09599	1.5
137.13269	1.1
139.11118	0.7
143.08597	1.5
145.10129	7.4
147.08034	0.6
147.11687	10.7
149.09584	0.6
149.13257	2.2
151.11172	2.1
157.10190	1.4
159.11696	4.0
161.09654	0.6
161.13263	3.4
163.11188	10.5
163.14798	6.5
165.12746	1.7
171.11687	1.1
173.09583	1.7
173.13278	2.1
175.11237	0.7
175.14796	1.1
177.12740	1.6
178.31062	0.6
183.11722	1.5
185.13237	1.0
187.14807	2.3
189.16382	42.3
190.16898	0.6
191.10666	47.8
192.10956	1.0
195.11896	0.5
199.14815	0.7
201.12715	1.4
201.16350	0.9
203.14369	1.6
203.17979	0.8
207.17442	56.4
208.17807	1.0
209.11684	6.2
213.16386	1.6
217.15741	0.8
219.13776	3.1
225.16405	0.7
233.15448	0.8
237.16415	0.8
241.15738	0.6
255.17607	1.3
261.18533	1.4
273.18433	1.7
377.28320	1.5
395.29462	2.4
413.30493	100.0
414.30792	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	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
54.29149	0.4
64.89387	0.4
67.05502	0.5
69.64413	2.7
85.02896	0.9
107.08643	0.4
109.10192	0.7
148.86790	0.4
179.03487	0.6
193.05054	0.4
203.05293	1.2
211.00687	0.8
239.00151	1.2
293.15945	1.1
293.60507	0.5
311.17215	0.5
413.21503	100.0
414.21707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2167
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
52.74396	2.9
55.05503	3.9
57.03440	4.2
67.05500	10.6
69.03420	11.9
69.07072	3.9
69.69434	22.2
70.06606	5.4
70.88242	3.0
71.04973	7.0
79.05501	8.5
81.07053	9.7
82.56602	3.9
83.04961	7.4
85.02911	19.3
86.09703	7.7
91.05481	11.5
93.07018	9.1
95.04969	4.1
95.08602	8.4
97.02883	7.2
97.06518	6.2
97.81678	3.1
98.97594	14.2
99.04453	4.8
99.47768	3.3
105.07026	14.3
107.08571	7.7
109.02870	5.7
109.06497	9.5
109.10167	5.2
110.27271	3.4
110.97612	5.7
111.08116	5.0
117.06996	3.8
119.08583	10.0
121.06554	6.1
121.10150	3.6
123.08064	3.8
127.03896	5.1
128.98589	3.7
131.08586	8.1
133.10149	4.6
135.08058	4.5
137.05977	8.9
143.08624	5.1
145.05052	3.9
145.06487	5.9
145.10120	11.4
147.11678	4.9
157.10133	5.7
157.13333	4.4
159.08142	3.5
159.11635	4.6
173.09615	7.8
173.13283	5.5
175.11282	4.6
187.11220	10.4
191.10562	3.9
197.73967	3.4
198.09660	3.5
203.05276	3.5
205.12201	5.0
215.14348	23.2
219.01770	9.9
233.15388	39.6
237.02834	15.5
251.16525	6.0
252.09209	4.7
252.59563	5.6
263.57150	3.6
413.21921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.68172	0.5
54.22374	0.5
56.96534	0.6
57.03407	0.7
69.03418	0.8
71.17897	1.1
73.02910	0.8
74.06071	2.3
77.78020	0.6
85.02907	1.9
89.03913	1.1
97.02877	0.8
98.20668	0.6
98.97587	1.5
102.05534	1.6
107.04986	0.6
109.83584	0.6
110.74425	0.5
118.98449	0.6
119.03523	3.1
120.06583	9.0
135.04453	1.3
136.06187	100.0
137.04604	2.0
159.20270	0.7
162.04115	63.2
163.03879	7.8
219.01714	0.8
237.02644	0.8
268.10461	1.7
281.09937	48.2
287.56427	0.6
413.14166	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	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59782	0.9
57.03422	1.2
59.80347	1.0
67.05496	1.2
69.03423	2.9
69.59206	2.2
69.59614	5.3
73.76707	0.8
85.02895	4.1
97.02896	2.0
98.20824	1.9
98.97604	4.5
107.04966	2.0
109.02915	1.2
116.98622	1.8
121.02877	1.4
127.03899	3.1
136.06184	6.9
137.06007	1.0
143.00172	1.1
162.04109	3.3
163.03877	2.0
185.04160	1.8
205.04768	4.6
217.08865	1.0
219.01709	1.3
222.12657	1.0
237.02858	1.9
241.98013	0.9
245.05080	1.6
250.08174	3.6
251.08928	6.7
251.17537	1.2
281.09955	2.3
399.49960	0.9
405.61267	0.9
413.14200	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01854	1.6
55.09285	1.4
55.21120	1.5
56.96562	11.1
57.03440	2.1
58.99880	2.2
61.02929	1.9
68.98318	2.9
69.03442	11.2
71.59639	2.0
72.17326	1.5
73.02940	5.8
81.03449	3.4
82.99882	2.8
85.02917	19.0
86.09694	2.7
86.99366	3.0
87.04491	2.4
94.99864	2.2
97.02905	14.3
98.97590	17.6
101.00889	33.1
103.05480	1.7
105.00422	4.0
108.89551	1.6
109.02911	3.6
110.97591	11.2
112.99176	3.0
113.00851	9.2
115.02470	7.2
116.98668	6.7
119.01926	45.8
127.02472	8.4
127.03973	4.9
128.98627	5.5
129.03999	2.9
131.00302	1.6
131.01910	36.7
131.02808	2.3
132.10242	2.9
133.03529	5.7
135.01538	1.7
135.04422	3.1
136.06210	19.8
137.00897	3.0
137.02997	4.7
139.02454	3.8
140.98653	3.4
143.00270	3.4
143.01907	19.6
145.03470	29.0
146.99695	4.0
147.04451	3.0
149.03000	3.7
152.07082	2.2
152.98662	1.7
155.01900	43.4
155.03030	2.6
156.02718	7.5
156.97581	3.1
157.03476	18.2
157.87788	1.7
158.99692	10.6
159.01556	2.8
161.01379	3.7
161.03035	20.3
162.04173	7.7
163.03963	6.2
167.02014	4.8
167.88335	1.6
169.03650	1.8
170.05234	3.2
170.99683	3.1
173.02971	47.5
175.04591	5.9
176.94531	1.8
177.00809	6.0
177.02582	5.5
177.04337	2.4
181.03474	2.1
182.99818	1.6
183.01436	2.9
183.05084	2.6
185.02965	22.1
187.04649	5.6
191.03979	3.0
197.03049	3.7
197.06606	1.8
198.98508	9.8
199.04596	4.0
201.00740	2.8
201.02448	20.6
201.06230	2.8
203.04030	26.8
205.03622	5.2
209.01282	1.9
209.02972	8.3
213.00250	4.0
213.02551	7.5
217.05617	2.7
219.01791	11.6
219.03639	29.8
219.05399	2.9
221.03156	2.0
221.05064	56.5
222.98683	1.8
223.04561	9.5
225.00195	1.7
225.02417	2.6
225.06148	3.5
227.04172	7.1
231.03607	3.4
233.02998	2.5
233.09200	2.2
235.04517	22.7
235.90649	1.8
237.02708	26.5
241.06316	1.7
242.07500	5.5
243.03661	9.2
245.05130	9.2
247.04672	6.0
251.04131	2.1
251.10426	2.4
253.05627	14.2
255.03561	10.3
257.05112	8.7
261.02606	4.6
265.05624	4.9
267.03717	2.4
272.06750	7.4
272.56946	2.2
273.04846	2.0
275.06369	7.3
281.10043	5.7
283.00882	2.7
285.04736	9.1
285.08170	3.5
287.06342	2.3
293.05063	2.1
301.01947	2.4
303.05640	67.9
304.05872	3.2
308.90109	1.6
313.07632	25.9
315.03345	2.8
315.09485	2.2
321.06836	5.5
326.07370	1.9
329.05637	4.8
331.08942	7.2
332.10571	3.6
353.07547	3.5
354.65555	1.7
395.08536	6.3
413.09372	100.0
413.27014	1.9
414.09546	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	412.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.05508	13.7
56.05836	4.8
57.07070	3.5
65.03922	4.2
67.05504	30.4
68.05839	6.3
69.07075	31.5
70.07406	5.4
71.08656	2.7
71.61701	4.3
74.41714	3.0
79.05496	21.9
80.05833	6.8
81.07053	63.1
82.07386	18.4
83.04995	4.0
83.08612	8.7
91.05464	19.7
92.05795	7.4
93.07043	56.1
94.07375	13.6
95.04942	6.4
95.08608	100.0
96.08937	28.0
97.10155	7.3
105.07037	39.4
106.07375	17.8
107.08596	83.8
108.08929	34.0
109.06568	4.8
109.10165	45.8
110.10472	22.6
110.22536	3.1
111.08098	3.8
119.08576	49.7
120.08922	21.1
121.10143	62.4
122.10495	25.4
123.11702	14.2
124.12032	7.3
127.10234	3.0
129.06912	3.2
131.08565	6.2
132.08893	5.4
133.10132	41.7
134.10439	18.2
135.11693	27.6
136.12039	18.2
137.05997	3.9
137.13304	5.9
137.16196	3.1
145.10126	13.9
146.10478	11.0
147.11708	24.9
148.12004	16.7
149.13249	26.2
150.13594	26.7
159.11674	10.9
160.12083	6.5
161.09624	3.7
161.13257	16.4
162.13617	13.4
163.11151	3.4
163.14824	45.6
164.15189	33.5
165.09166	3.1
171.11658	2.9
173.13251	10.6
174.13654	4.1
175.14856	19.0
176.15173	16.2
177.12729	3.0
177.16397	20.9
178.16727	12.4
179.14275	6.4
180.14638	4.7
187.14856	9.4
188.15158	15.3
189.16461	25.3
190.16731	22.4
191.17918	10.3
192.18307	13.7
199.14806	3.6
201.16449	5.1
202.16721	7.0
203.18013	38.4
204.18321	32.9
206.19901	3.2
215.17978	5.4
216.18294	8.6
217.19374	3.6
218.19821	4.4
222.19316	3.6
231.21042	6.1
232.21419	13.2
234.19464	6.3
270.85165	3.3
298.26218	5.7
361.37357	3.5
394.35287	14.5
412.28079	5.7
412.36557	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81957	0.9
53.03935	0.8
55.01861	1.6
55.05514	3.1
57.03437	9.7
61.02930	2.3
67.05499	1.2
69.03421	3.3
69.07070	7.1
69.57481	4.6
69.57889	2.0
70.06585	3.2
71.04998	71.8
73.02901	2.0
75.04478	5.2
81.03442	1.6
81.07054	2.1
83.04993	9.6
84.04495	1.2
85.02910	100.0
85.06557	1.1
87.04461	2.6
91.05499	3.5
93.07059	2.2
95.08608	1.2
97.02888	4.7
98.20737	1.9
98.97588	3.7
99.04472	1.9
99.08089	1.7
103.03941	1.3
105.07049	1.8
107.08637	0.9
110.97535	1.0
111.04461	4.6
112.07606	3.2
113.06053	0.9
119.15308	0.9
121.06468	1.2
127.03876	4.5
129.05484	35.4
133.10138	1.3
134.09225	1.0
137.09622	1.6
142.05003	2.1
143.89709	0.9
145.04976	5.3
146.08162	2.1
147.06525	20.8
151.11102	0.9
153.09142	0.9
158.99709	2.2
163.06070	3.3
164.09192	4.0
175.14731	1.0
184.06055	2.1
192.64293	1.0
195.10178	1.7
208.61852	0.9
213.11194	1.5
215.12762	1.1
219.01717	1.1
222.69650	0.9
237.02844	1.5
245.08879	0.9
255.08784	3.1
273.09610	0.9
309.12097	1.0
309.15463	3.0
413.17490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01868	1.5
55.05511	6.3
56.05037	4.0
56.96566	0.9
57.03425	0.7
57.07063	1.7
59.97759	0.6
60.04521	2.7
65.03928	1.2
67.05161	0.9
67.05503	14.4
68.05009	1.3
69.03439	4.8
69.07063	5.0
70.06590	0.8
71.04990	3.4
77.03950	0.8
79.05493	17.1
80.04998	3.3
81.03418	2.1
81.05803	2.5
81.07059	13.3
81.21599	0.6
82.06578	6.5
82.07377	1.5
83.04971	1.5
83.08623	4.5
85.06555	2.2
87.04463	1.9
91.05479	8.0
93.07040	27.5
94.06087	0.6
94.06564	19.7
95.04979	3.3
95.08606	26.0
95.09227	1.3
96.08123	4.1
97.06528	4.7
97.10134	1.5
103.05441	1.2
105.07025	15.4
107.07353	3.7
107.08549	3.6
108.08134	1.1
108.08873	1.6
109.06529	0.8
109.10160	2.3
110.09682	11.3
110.10399	1.0
111.08082	15.3
119.08604	4.2
120.08978	0.8
121.10157	3.2
122.09663	32.2
122.10435	1.3
123.08069	25.9
123.11681	0.9
128.10716	39.8
133.10115	2.4
134.10466	1.1
135.11682	2.1
136.12012	0.8
140.10698	100.0
141.09103	10.5
145.10086	1.3
146.10405	0.9
147.11682	2.3
148.12027	0.9
149.13266	1.1
157.10130	1.2
158.11777	9.9
159.11691	0.8
161.13223	0.8
162.13512	1.4
163.14809	1.9
164.15173	1.0
173.13229	1.4
175.14891	0.9
186.13736	1.2
189.16449	1.3
192.18350	0.7
201.16359	0.8
203.18066	0.7
204.18341	1.4
207.17365	1.6
208.17682	0.8
239.18001	0.8
254.24815	0.9
272.25787	7.0
329.93488	0.7
376.31952	1.2
382.33133	5.3
394.33026	13.3
412.28476	1.4
412.33380	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05497	6.2
55.53603	2.6
56.96544	2.7
57.03436	34.0
59.05003	2.9
61.02913	9.7
64.67535	2.0
67.05489	2.7
69.03067	3.1
69.03433	45.3
71.05007	10.8
71.61147	4.0
73.02918	64.0
74.82298	2.5
81.03399	8.5
81.07031	5.1
83.08602	6.1
85.02904	100.0
87.04484	13.5
90.31905	2.2
91.03926	4.2
91.05445	3.0
93.07064	3.6
95.04954	2.2
95.08617	4.4
97.02897	54.2
98.97562	6.3
99.04437	4.4
101.09661	2.7
105.07010	2.9
107.08569	5.9
109.02855	8.5
110.97588	2.8
115.03934	47.9
115.11681	2.1
116.98608	2.1
117.76153	2.0
121.10159	2.2
127.03936	28.7
128.98636	2.4
133.04976	21.2
135.11690	2.2
139.07532	4.6
141.09076	3.1
142.32733	2.3
144.04425	3.5
145.04944	40.8
150.07631	5.1
163.06021	13.8
166.90213	2.0
203.05222	5.2
209.11928	2.8
223.06033	5.3
241.07127	3.6
245.13802	4.1
246.09282	3.5
252.09441	3.9
259.08255	3.5
263.14948	4.1
265.06073	2.5
295.10168	3.7
303.04916	3.5
318.26843	2.5
325.05780	3.7
334.06088	3.1
377.01825	7.1
412.20090	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	411.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.0
57.07050	3.5
67.05502	25.4
69.03403	3.1
69.07072	21.9
70.28326	8.5
70.28674	4.1
71.04988	2.9
77.75865	3.0
79.05499	24.0
81.07054	61.6
83.08614	9.2
85.02923	2.7
91.05475	19.7
93.07043	52.8
95.04976	3.3
95.08606	100.0
95.34375	2.7
97.06544	4.2
97.10163	3.8
98.20800	3.9
105.07023	41.2
107.08596	85.8
109.10142	45.4
119.08582	44.3
119.83627	2.9
120.08905	3.3
120.60815	3.4
121.09303	4.3
121.10144	60.5
123.11696	18.2
131.08560	6.7
133.10136	34.9
135.11694	38.6
137.13237	7.7
145.10095	13.9
147.11700	28.4
149.12161	4.2
149.13272	43.7
152.07777	2.7
157.10133	5.0
159.11682	14.1
160.11975	3.8
161.13281	28.6
163.14819	77.2
164.15172	3.1
164.69859	3.4
165.97958	2.7
171.11580	4.3
173.13228	8.7
175.14793	33.2
177.16354	32.0
179.14282	10.5
187.14799	17.0
188.15140	6.5
189.16379	36.5
191.17982	19.4
199.14848	3.6
201.16374	8.8
203.17941	52.4
205.19447	4.8
207.17409	6.2
215.17960	12.9
217.19485	7.2
229.19464	4.5
231.21002	19.4
233.18954	5.1
233.22610	4.0
271.24069	3.5
291.09854	3.3
393.35168	14.6
411.27652	4.8
411.36298	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	411.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
53.33622	2.3
55.05510	19.2
57.07068	8.0
65.03941	1.9
65.22968	1.9
67.05507	32.6
68.59769	2.0
69.07069	31.4
71.12092	3.0
71.12428	2.8
79.05495	23.0
81.07055	68.4
81.07510	4.1
83.08614	13.5
85.06542	5.1
91.05488	32.1
93.07047	80.9
95.08609	98.4
97.06548	2.3
97.10189	10.1
99.08102	9.0
103.96856	2.3
105.07034	53.9
105.07741	2.6
107.08595	100.0
109.06496	2.5
109.10158	56.5
111.08120	2.3
117.07046	5.3
117.64390	2.0
119.08579	89.7
119.98578	2.1
121.10147	64.1
123.11712	20.7
131.08559	15.9
133.10132	87.3
135.11703	47.2
137.13243	14.4
142.13641	2.2
143.08562	7.0
145.10143	21.7
147.11690	49.1
147.12773	3.5
149.13263	80.8
157.10167	7.7
159.08122	2.2
159.11693	20.8
161.09602	2.9
161.13258	35.5
163.14816	37.0
167.06120	2.5
171.11708	6.6
173.13281	13.2
175.14825	21.1
177.16388	13.7
185.13330	8.5
187.14774	12.6
189.09174	3.0
189.12759	2.6
189.16399	31.8
191.17970	60.7
199.14827	6.1
201.16345	16.1
203.17967	53.8
203.19908	2.6
205.19688	4.3
207.17505	4.3
211.14890	2.7
213.16472	4.4
215.18018	5.7
217.19525	25.8
221.19026	5.7
229.19507	4.5
231.21078	33.7
233.19060	2.8
241.19514	2.4
243.21078	2.6
269.22620	3.5
271.24112	2.3
287.02499	2.2
309.25790	2.2
339.30679	2.6
341.14081	2.3
341.28391	3.2
351.30121	2.3
393.35394	6.0
405.83881	2.2
411.28470	15.1
411.36429	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05512	17.8
57.03433	2.9
57.07080	2.6
67.05508	20.6
69.07069	26.7
69.36880	22.3
71.04975	2.9
73.31729	2.4
79.05499	17.5
81.07057	59.1
83.08612	7.9
85.02888	4.3
85.06475	2.8
91.05468	18.0
93.07056	50.9
95.04989	3.1
95.08604	100.0
96.08920	2.7
97.10146	7.7
105.07032	38.6
107.08598	76.9
109.06507	3.5
109.10155	43.1
111.08076	2.8
117.07063	4.1
119.08588	42.5
121.06491	2.2
121.10142	59.5
123.11690	19.5
131.08569	8.7
133.10121	39.3
135.11687	29.1
137.13225	4.8
139.07521	2.9
142.59386	2.7
144.09247	2.8
145.10139	15.9
146.10466	4.4
147.11700	24.9
149.13254	33.5
151.11180	4.5
157.10129	3.6
159.11725	14.2
161.13264	20.6
163.14821	69.5
164.15129	3.5
171.11652	3.0
173.13245	8.9
175.14856	24.5
177.16377	30.6
179.14304	9.9
185.13301	3.8
187.14835	19.4
188.15208	3.5
189.16414	34.5
191.18004	16.3
198.39020	3.0
199.14755	3.6
201.16338	7.5
202.52928	2.6
203.17953	50.7
205.19516	4.3
207.17532	5.0
215.17879	8.0
217.19501	7.6
223.97952	2.7
226.23364	2.5
229.19534	5.9
231.21120	18.9
233.18974	3.5
393.35284	12.1
411.28183	5.1
411.36249	74.0
412.36703	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.27716	1.0
50.65469	1.1
53.03935	1.2
55.05516	9.5
57.07059	2.6
67.05506	22.5
68.81634	1.0
69.07068	21.6
69.45382	5.0
69.45812	4.3
71.08636	1.7
79.05499	16.1
81.07059	71.2
83.08633	8.2
91.05485	11.7
93.07048	33.5
93.07613	2.1
95.05002	1.5
95.08610	100.0
95.89715	1.2
97.06548	1.4
97.10205	4.2
105.07030	24.0
107.08600	40.1
109.06551	1.3
109.10162	39.9
111.08097	2.2
111.11748	3.5
117.07069	4.2
119.08586	29.5
120.08923	1.1
121.10145	34.7
123.11715	29.2
125.09679	1.7
129.06918	1.2
131.08589	10.9
133.10135	23.6
135.11694	24.6
137.13263	10.1
139.11168	13.3
143.08592	4.1
145.10133	12.7
147.11687	19.3
149.13266	17.3
151.14915	2.1
153.12782	3.7
157.10178	4.7
159.11678	11.0
161.13242	11.7
163.14796	8.7
164.71738	1.2
165.12784	1.1
171.11714	7.1
173.13306	12.0
175.14844	15.7
177.16397	23.1
185.13329	5.0
187.14818	8.9
189.16399	12.9
191.14471	1.6
191.17998	5.8
193.15948	1.7
195.17447	11.2
199.14928	4.6
201.16422	7.9
203.17970	12.7
205.15901	1.1
205.19586	2.1
209.19022	1.2
213.16374	6.4
214.45844	1.3
215.17961	18.0
217.19527	11.7
219.17545	2.2
219.20946	1.1
221.19107	1.7
227.18065	3.9
229.19603	3.2
231.17607	1.1
231.21143	2.8
233.19202	3.2
239.12100	1.1
241.19522	3.9
243.21146	6.3
245.19029	2.2
245.22591	7.4
255.21124	3.5
257.22638	9.4
269.22818	1.3
271.24292	8.4
353.32086	2.1
393.35529	7.9
411.28101	1.7
411.36426	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03949	1.2
55.05509	9.7
57.07066	3.1
59.04986	0.8
64.41811	0.7
65.03938	1.3
67.05506	21.0
69.06709	1.1
69.07068	15.8
71.04986	1.1
71.08662	0.8
71.62244	1.2
73.02894	0.7
79.05493	18.8
81.03436	0.8
81.07057	46.2
83.08620	8.0
85.02906	1.3
85.06535	1.5
91.05471	13.1
93.07047	44.9
95.04965	1.7
95.08605	100.0
96.08907	1.2
97.06533	1.7
97.10159	3.1
99.08075	1.4
100.11295	0.8
105.07030	25.2
107.08594	67.4
109.06502	1.7
109.10155	38.7
111.08080	2.7
111.11691	1.5
117.07037	2.2
119.08582	36.8
121.10142	52.8
122.10553	1.1
123.08022	1.3
123.11707	12.6
125.09633	1.0
126.41504	0.8
129.07030	1.2
131.08522	4.4
133.10132	24.4
135.11693	27.9
137.09595	1.1
137.13260	5.7
139.11230	1.4
143.08569	0.9
145.10150	6.8
147.11691	20.1
148.48889	0.8
149.02332	1.8
149.13255	30.2
151.11139	1.5
151.14876	1.1
153.12871	0.8
157.10139	1.9
159.11674	9.7
161.13260	19.5
163.11182	1.4
163.14825	56.3
165.12726	1.3
165.16429	0.9
169.10162	1.2
171.11710	2.1
173.13214	6.1
175.14828	21.5
177.12802	1.8
177.16382	18.7
179.14337	5.6
179.17966	1.1
185.13272	2.2
186.13963	0.7
187.14815	12.2
189.05806	0.8
189.16373	27.3
191.14354	1.1
191.17938	14.8
193.05002	2.0
193.15868	1.2
194.05399	1.6
199.14835	1.2
201.16403	6.6
203.17946	29.6
204.18259	0.9
205.15933	2.3
205.19539	5.1
207.17468	4.8
213.16418	2.4
215.18011	4.7
215.90175	0.9
217.19484	5.5
219.17473	2.2
221.18993	0.9
227.17989	1.3
229.19566	3.5
231.21054	14.4
233.19055	3.4
233.22717	2.4
241.19571	2.5
243.21007	2.2
245.22644	1.1
255.21036	0.9
257.22644	1.4
267.84274	0.8
269.22583	1.5
271.24420	0.8
297.25793	10.1
315.26709	5.0
323.27451	0.9
337.29245	1.0
341.28513	2.2
393.35214	9.5
411.27325	3.2
411.36234	68.7
412.36661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05503	11.8
57.07079	3.0
58.56236	1.3
61.67565	1.4
61.71838	1.6
65.03951	2.0
65.10395	1.8
67.05506	22.2
69.03420	1.5
69.07070	24.7
69.98447	2.8
69.98858	4.9
71.05010	2.4
77.58747	1.3
79.05499	22.7
81.07058	56.5
83.04987	1.8
83.08620	8.7
91.05480	16.8
93.07047	49.7
93.07617	3.0
93.29192	1.5
95.04935	1.8
95.08609	100.0
95.82637	1.5
95.91623	1.6
97.06551	2.9
97.10193	6.2
98.20831	2.8
99.08088	2.3
104.06236	1.6
105.07030	32.1
107.08595	80.0
109.06542	3.2
109.10158	45.5
111.08091	3.6
111.11776	2.0
117.06993	2.2
119.08585	42.6
121.10143	56.9
123.08025	2.2
123.11716	18.9
124.31967	1.4
129.06984	1.5
131.08609	9.1
133.10141	32.6
135.08031	2.2
135.11693	34.4
135.12672	2.2
137.13286	8.1
140.97940	1.5
143.08574	3.6
145.10127	10.7
147.11702	24.3
149.13269	40.1
151.11235	1.9
155.08672	1.8
157.10213	4.4
159.11682	9.7
161.13249	19.5
163.11156	2.4
163.14827	66.9
165.12823	3.4
171.11740	4.5
173.13258	9.1
175.14825	21.3
177.12813	2.9
177.16380	24.1
179.14392	6.1
179.17894	1.8
185.13354	5.5
187.14807	17.5
189.16376	30.6
191.17957	22.2
201.16405	7.5
203.17982	37.7
205.15952	3.4
205.19681	4.4
207.17480	5.5
213.16470	1.8
215.18018	6.6
217.19553	5.4
219.13904	1.5
219.17580	3.2
223.14801	1.4
227.17957	2.8
229.16005	2.0
229.19492	2.9
231.21077	16.5
233.19133	5.3
241.19580	3.0
247.20789	2.0
255.21375	1.7
257.22754	1.8
261.22275	1.9
297.25891	5.8
315.23630	1.5
315.27026	5.0
393.35568	9.4
411.28537	4.2
411.36401	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.6
57.07068	4.9
62.22904	2.3
67.05511	25.0
69.07068	23.1
71.08603	2.3
71.12844	4.2
79.05499	17.0
79.05870	3.3
79.63205	2.4
81.07053	64.1
83.08640	12.2
91.05476	19.0
93.07050	52.3
95.08607	100.0
97.10167	6.4
105.07030	34.5
107.08594	77.6
109.06530	2.4
109.10156	44.5
111.08070	4.4
111.11720	2.9
119.08584	44.0
121.09297	4.6
121.10148	62.6
123.08028	2.7
123.11704	15.1
131.08566	7.2
133.10147	36.6
135.11699	30.2
137.13257	5.5
145.10120	10.7
147.11699	22.4
149.13264	40.8
159.11673	10.5
161.13277	21.0
163.14832	75.5
173.13280	5.1
175.14845	27.5
177.12738	3.7
177.16402	33.5
179.14282	8.1
187.14818	17.2
189.16422	33.1
191.17944	19.5
201.16408	9.2
203.17946	50.6
205.19502	4.0
207.17445	3.4
215.17987	10.0
217.19571	9.1
229.19601	4.0
231.21083	19.2
232.35983	2.7
233.19037	8.3
233.22601	2.6
393.35318	14.9
400.59592	2.8
411.28131	3.6
411.36194	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.64032	2.5
52.52066	2.2
55.05508	14.8
67.05505	23.7
69.07064	27.2
69.69221	12.0
71.08633	2.8
71.81785	2.3
79.05486	14.8
81.07054	52.8
83.08638	11.4
86.83365	2.4
91.05469	16.7
93.07049	39.7
95.08607	100.0
97.10157	7.6
98.21622	2.3
101.91325	2.0
104.85652	2.1
105.07042	30.3
105.26925	2.0
105.97430	2.2
107.08601	56.5
107.43719	2.3
109.10162	58.0
117.07012	3.2
119.08582	46.7
121.10147	47.1
123.08038	2.3
123.11708	15.8
128.09218	2.3
131.08549	12.7
133.10146	34.8
135.08076	2.7
135.11702	42.4
135.35561	2.3
137.09645	2.3
137.13251	5.8
143.08566	3.1
145.10138	16.8
147.11678	28.7
149.13284	23.4
157.10112	6.3
159.11694	22.2
161.13295	25.2
163.14830	22.5
165.16414	3.9
171.11656	6.0
173.13266	17.9
175.14821	43.9
177.16431	18.4
179.14340	6.6
187.14803	14.1
189.16393	32.3
191.17982	26.3
199.14799	4.5
201.16370	11.6
203.17975	38.4
205.19499	4.0
207.17439	8.2
213.16394	5.3
215.17921	13.7
217.19576	9.4
219.17459	2.9
227.17937	6.3
229.19514	14.0
231.21057	11.3
233.18979	3.2
238.02112	2.6
241.19539	3.6
243.21104	10.8
247.20682	5.8
255.21130	8.2
257.22672	8.6
269.22662	5.0
297.25784	8.1
315.26794	3.3
323.27386	5.6
341.28323	3.6
346.51321	2.5
350.37775	3.0
351.30331	6.0
393.35208	40.9
411.31973	11.0
411.36502	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37398	2.8
51.99257	2.4
53.03935	2.9
55.05515	21.9
57.07051	8.5
58.55499	2.8
61.44158	2.4
67.05507	35.3
69.06770	2.9
69.07069	31.6
78.64024	2.6
79.05502	22.3
81.07059	85.8
83.04948	3.9
83.08624	16.5
90.52178	2.6
91.05480	23.1
93.07042	44.6
95.04969	4.9
95.08609	100.0
97.06525	3.2
97.10158	10.4
98.21491	8.5
105.07040	41.1
107.08590	61.9
109.09446	4.1
109.10160	69.6
110.55208	2.4
111.08137	4.0
111.11774	2.3
113.09647	3.1
117.06987	7.7
119.08579	61.2
121.06481	3.0
121.09303	4.1
121.10142	58.9
122.46163	2.8
123.08082	7.1
123.11713	27.4
123.76819	2.5
129.06966	6.3
131.08588	19.0
133.10126	47.6
135.08066	4.4
135.11696	44.3
137.13242	16.0
143.08551	11.8
145.10123	21.2
147.11687	34.5
149.13249	31.0
157.10103	6.4
159.11685	29.1
161.13275	24.8
163.14806	29.0
165.12706	2.8
171.11649	7.1
173.13272	23.8
175.14867	22.2
177.16422	20.9
179.14297	9.6
185.13196	10.8
186.14043	6.5
187.14798	17.6
189.16380	36.6
191.14267	4.2
191.17899	10.4
199.14798	10.8
201.16389	14.5
203.14354	4.9
203.17928	20.0
205.19623	5.9
207.17496	6.9
211.14919	4.0
213.16312	8.8
214.17134	6.1
215.17932	20.9
217.19464	8.4
219.17476	5.0
227.17975	9.1
229.19514	30.7
231.20982	8.6
241.19507	10.2
243.20944	7.6
245.22569	3.2
247.20572	20.7
255.20998	9.3
257.22623	10.3
259.20630	4.2
259.24109	4.9
261.22229	7.3
269.22614	6.7
271.24228	6.3
275.23795	3.3
281.18872	3.1
283.24161	4.6
393.35300	53.4
411.32187	41.0
411.36267	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05508	19.0
57.07060	3.9
58.44106	3.4
64.46536	3.9
67.05504	25.9
69.07072	32.1
69.42985	3.2
71.08639	5.7
71.33114	7.8
79.05489	15.8
81.07052	61.5
83.08607	14.6
91.05482	13.8
93.07056	36.2
95.08607	100.0
97.10152	14.0
105.07029	34.6
107.08598	50.6
109.10150	39.5
111.08084	3.6
117.07021	3.6
119.08566	39.8
121.10142	48.1
121.10932	6.2
123.11719	26.6
131.08560	6.3
133.10124	29.6
135.11708	35.7
137.13217	10.3
145.10107	12.4
147.11691	27.4
149.13264	30.8
151.14824	3.6
157.10138	4.9
159.11697	14.4
161.13274	24.8
161.52731	3.0
163.14830	34.2
171.11697	6.3
173.13237	15.7
175.14792	35.0
177.16425	20.7
179.14323	8.3
185.13277	5.2
187.14799	17.9
189.16393	34.2
191.17932	19.1
192.80106	3.4
199.14763	5.7
201.16426	16.0
203.17955	34.1
205.19653	6.2
207.17471	7.7
213.16420	6.1
215.17934	20.0
217.19530	7.7
229.19507	5.9
231.21025	12.4
233.19023	7.5
243.21193	7.8
255.21097	4.4
257.22647	6.9
274.29822	3.6
287.23804	7.2
351.30447	8.9
393.35220	39.7
411.36655	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03949	1.7
55.05511	8.6
57.07086	3.7
59.05001	2.1
61.46389	1.8
64.20210	2.0
67.05501	23.5
69.07063	19.5
69.55334	12.4
71.04997	1.9
79.05485	15.8
81.07055	44.3
81.07505	3.2
83.08633	8.7
91.05465	14.1
93.07048	44.1
95.04987	2.6
95.08608	100.0
97.10197	4.4
98.21505	4.1
100.20722	1.7
105.07038	23.9
107.08595	72.2
109.10153	41.0
111.08103	2.0
117.07024	2.3
119.07751	4.0
119.08584	38.5
121.10146	58.0
121.11008	2.9
122.90933	2.1
123.08115	3.0
123.11691	15.9
131.08621	7.3
133.10144	22.9
135.11688	32.3
137.13232	2.6
143.08554	2.1
145.10115	10.2
147.11681	18.9
147.12579	1.7
149.13261	31.7
149.14357	2.5
151.07684	2.3
151.14856	2.1
159.08316	1.8
159.11664	10.5
161.13278	18.4
163.14825	63.3
165.12814	2.9
173.13313	8.0
175.14819	23.8
175.15964	2.1
177.12920	2.1
177.16379	22.3
179.14389	6.0
185.13393	2.3
187.14784	11.4
189.16377	28.3
189.17825	2.3
191.17938	17.3
201.16435	10.4
203.17978	27.0
203.19736	2.6
205.15985	2.5
205.19556	5.5
207.17569	5.6
215.18071	4.9
217.19519	4.6
229.19655	4.6
231.21065	18.8
233.18930	3.8
241.19562	2.0
243.21161	2.8
255.21266	2.2
269.22946	2.6
273.21982	2.2
297.25699	9.2
315.27155	3.9
323.27872	2.0
393.35294	10.5
411.36438	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.12545	1.1
55.05502	5.6
62.06509	1.2
67.05511	8.5
67.71650	1.3
68.55336	1.2
69.07066	9.3
69.94288	4.1
69.94696	2.0
79.05489	8.7
81.07056	32.0
83.08601	3.0
91.05471	4.9
93.07050	15.2
95.04948	1.7
95.08605	34.7
97.06525	2.4
97.10194	2.6
98.21381	2.2
105.07035	11.0
107.08591	29.0
109.10164	21.9
113.16834	1.4
119.08578	15.5
121.10149	24.4
123.11720	11.6
131.08586	3.4
133.10161	10.6
135.11664	14.9
137.13237	4.4
145.10112	4.7
147.11684	8.5
149.13257	10.4
151.14790	1.9
157.10155	1.7
159.11690	4.3
161.13208	8.4
163.14825	9.9
171.11795	1.6
173.13248	4.5
175.14835	7.3
177.16388	33.8
187.14822	5.1
189.16441	8.6
191.17917	4.6
201.16379	4.8
203.17999	8.1
205.19615	1.8
215.17937	4.9
217.19502	3.9
229.19514	4.3
231.21120	4.6
233.19096	1.6
241.19487	1.9
243.21072	4.7
245.22647	3.4
247.20592	6.9
255.21107	3.0
257.22662	3.6
269.22488	2.6
271.24240	1.9
273.22079	1.7
286.79086	1.4
389.85751	1.3
393.35257	13.6
411.36227	100.0
412.36612	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03933	1.8
55.05509	8.8
57.07074	8.4
67.05509	19.6
69.06716	1.2
69.07072	16.1
70.32050	1.1
71.04985	3.3
71.08621	2.8
71.43060	0.9
71.61532	1.2
76.77586	1.0
79.05483	9.6
81.07059	63.0
83.08609	8.2
85.06556	10.2
91.05452	5.3
93.07033	16.9
95.04391	1.1
95.04973	1.7
95.08607	100.0
97.10152	4.6
105.07028	9.3
107.08590	21.3
109.10155	32.4
111.08061	1.8
111.11707	2.5
113.09669	1.4
117.07033	2.1
119.08579	16.3
121.10146	20.8
123.08029	1.7
123.11707	20.4
131.08548	8.6
133.10120	12.8
135.11696	16.8
137.13258	55.7
145.10132	9.6
147.11691	11.0
149.13277	11.3
151.14799	5.6
157.10136	4.6
159.11691	7.0
161.13283	8.1
163.11221	1.4
163.14821	6.3
165.12773	2.1
171.11711	5.3
173.13280	6.9
175.14795	7.5
177.12845	1.3
177.16360	4.4
179.18045	1.5
185.13271	4.4
187.14816	6.9
189.12755	2.5
189.16402	5.4
191.14404	1.9
191.17973	6.9
193.15871	3.7
193.19478	3.2
199.14830	4.3
201.16341	9.2
203.17929	4.5
205.15799	1.9
205.19507	3.9
213.16394	3.7
215.17966	4.7
215.93117	1.2
217.19431	2.8
219.17470	3.4
219.20950	1.3
227.17805	1.8
229.19493	2.4
231.17357	2.0
231.21199	1.2
233.18954	1.6
241.19589	2.8
243.21088	12.1
255.21114	4.3
257.22519	1.6
259.20578	1.7
261.22055	5.2
269.22726	3.3
273.22156	2.7
287.23621	1.4
323.27136	2.1
393.35648	8.2
411.31226	8.2
411.36826	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	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22548	2.9
53.33591	3.0
54.43690	2.7
55.05502	10.5
57.07068	13.2
59.17738	3.2
64.86418	3.0
67.05511	27.6
69.07076	18.0
71.08609	6.7
71.62653	6.3
73.54183	2.8
79.05492	9.4
79.69205	3.1
81.07061	64.9
83.08614	11.0
84.08084	3.2
85.06543	11.9
86.16005	3.0
90.31973	2.9
91.05462	6.8
93.07079	16.2
95.04979	4.4
95.08607	100.0
96.71707	2.9
97.10200	6.0
105.07013	11.8
107.04928	3.7
107.08595	20.6
109.10159	39.3
111.11723	4.5
115.68479	3.2
117.07065	3.4
119.08598	17.1
121.10174	20.9
123.11728	24.4
131.08571	5.2
133.10118	14.3
135.11696	13.7
137.13266	59.0
145.10107	9.1
147.11714	11.1
149.13295	12.4
151.14787	5.8
159.11705	13.7
161.13251	8.4
163.14772	6.2
171.11661	5.0
173.13263	6.6
177.16452	5.4
179.18013	5.3
185.13309	4.6
187.14819	8.4
189.16339	4.9
191.17970	6.4
199.14854	4.3
201.16364	7.4
203.17920	3.9
215.17909	5.5
219.17300	4.4
231.17374	4.6
233.19037	5.6
243.21039	6.2
267.85101	3.7
269.22812	3.7
330.12109	3.3
330.47314	3.5
393.35040	9.5
411.31354	6.6
411.36884	33.5
433.69107	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03939	5.7
55.05495	11.1
57.07059	7.7
67.05497	28.0
69.07063	23.4
71.08606	3.5
71.61481	5.9
78.99966	3.4
79.05484	16.1
80.62290	3.4
81.07062	74.2
83.08614	10.1
91.05470	12.9
93.07043	50.8
95.08601	93.0
96.08951	5.2
97.10175	6.8
105.05333	3.7
105.07031	28.5
106.50784	3.5
107.08588	67.9
109.10155	52.5
111.08060	4.5
111.11653	4.6
117.07021	7.5
119.08589	47.7
121.10152	59.5
123.11707	26.0
131.08568	8.2
133.10106	28.7
135.11682	53.8
137.13229	15.6
137.91162	3.4
140.95903	3.6
145.10120	14.1
147.11710	26.5
149.13287	19.1
151.07483	17.0
152.07976	7.3
159.11696	15.7
161.13242	24.0
163.14853	23.2
173.13263	14.1
175.14807	14.3
177.16365	13.4
185.13261	5.5
187.14789	14.1
189.09125	5.2
189.16376	13.3
191.17892	8.3
201.16475	7.9
203.17986	9.2
204.10927	5.1
205.19475	4.0
211.28392	3.2
213.16377	5.2
215.17964	13.1
217.19571	8.9
224.97807	3.8
227.17900	6.0
229.19473	9.4
231.20959	10.4
243.21106	16.4
245.22580	16.1
247.20738	3.5
255.21017	4.3
257.22586	25.1
259.24301	5.7
269.22665	8.6
271.24036	17.7
287.23727	5.2
307.61801	3.9
318.22861	3.6
320.83969	3.5
345.84225	3.5
347.39539	3.6
393.35138	39.0
411.36298	100.0
412.36777	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	411.3258
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
54.06820	2.2
55.05508	12.9
56.04927	2.1
57.07061	7.8
67.05504	17.2
69.07066	30.2
69.92104	2.4
71.04998	3.9
71.61661	2.9
79.05489	10.6
81.07060	40.0
83.08607	10.4
84.07364	2.1
89.06017	5.1
90.19943	2.3
91.05478	14.4
93.07047	36.0
95.08606	69.8
97.10152	6.6
105.07030	32.6
107.08598	59.4
109.06495	3.1
109.10155	36.6
111.08069	8.9
111.11704	10.6
117.07000	5.4
119.08585	51.4
121.09295	4.8
121.10144	69.6
123.08032	4.7
123.11710	15.0
131.08545	10.0
133.10130	52.7
135.08047	2.9
135.11703	39.1
137.13284	13.8
139.07497	2.7
143.08528	8.3
144.09288	2.8
145.10132	27.2
147.08064	2.1
147.11676	25.1
149.13260	11.3
151.14844	2.7
157.10126	8.0
159.11699	36.1
160.12427	4.9
161.13269	24.5
163.14812	9.8
171.11635	12.6
172.12392	3.7
173.13223	10.8
175.14845	11.0
175.18294	2.4
177.16400	18.2
181.12180	2.8
185.13226	7.5
186.14072	3.5
187.14861	13.7
189.12671	2.7
189.16415	20.7
191.17975	13.0
195.13773	5.5
199.14874	8.5
201.16388	65.3
203.17966	22.2
205.15776	3.1
211.89674	2.2
213.16382	7.2
215.17950	13.6
217.19572	22.6
223.17003	4.3
227.17876	5.0
229.19479	17.2
231.20950	3.7
239.18015	3.1
241.19373	3.0
243.21019	7.2
255.21039	4.4
273.18610	2.9
287.20169	3.5
301.21658	7.6
309.25528	3.3
315.23199	3.4
323.27383	17.7
324.28082	6.6
411.27325	5.1
411.32452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3257
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03933	1.6
55.05509	5.3
57.07055	2.3
67.05500	10.0
69.03421	1.9
69.07061	9.5
70.07277	3.2
71.08621	1.5
79.05482	8.3
81.07054	23.7
82.07370	1.0
83.08625	5.9
87.04443	1.3
91.05483	9.0
93.07040	18.0
94.07389	1.2
95.04942	1.1
95.08607	37.9
97.10168	2.9
98.20776	1.6
102.97223	1.0
105.06363	1.9
105.07026	21.6
107.08589	28.6
108.08911	1.2
109.06467	1.5
109.10145	20.1
111.11719	1.7
117.06995	2.1
119.08579	34.0
121.06456	1.1
121.10146	25.6
123.08044	1.3
123.11688	7.7
125.09611	1.3
131.08563	6.7
132.92624	1.1
133.10135	26.0
135.11696	24.1
137.09561	1.5
137.13246	5.8
139.07521	1.6
143.08580	2.4
145.10109	7.8
147.08044	1.7
147.11685	26.3
149.13249	9.9
150.58755	1.1
151.45897	0.9
156.09285	1.3
157.10127	4.5
159.11668	7.8
161.09628	1.4
161.13245	21.0
163.14746	6.5
165.09085	3.9
170.10861	1.1
171.11673	3.7
173.13249	6.1
175.11171	3.6
175.14816	37.5
177.16382	3.5
185.13222	2.4
187.14833	8.0
189.12732	8.2
189.16362	12.0
191.17946	100.0
193.12224	2.5
199.14711	1.5
201.16396	4.6
203.14333	24.0
203.17941	18.1
205.19586	3.6
207.13799	5.8
213.16313	1.3
215.14235	1.4
215.17975	1.6
217.15874	1.3
217.19531	10.0
221.15366	19.4
227.17928	1.3
233.15289	4.0
243.20778	1.1
257.22946	1.6
308.34555	1.0
317.24350	1.2
321.24960	1.1
348.49796	1.3
351.26648	1.2
372.04727	1.0
393.31262	3.8
411.32449	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	411.3257
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03933	3.5
55.05507	21.1
57.07058	7.4
64.71809	3.0
67.05506	27.7
69.07072	30.7
70.39480	6.6
71.08624	4.0
79.05490	25.8
81.07056	80.7
83.08617	16.1
91.05470	29.1
93.06551	4.6
93.07053	57.4
94.72948	2.9
95.08606	100.0
97.06503	4.7
97.10173	7.3
105.07029	66.3
107.08595	76.8
109.06535	5.0
109.10151	53.0
111.08089	8.5
111.11741	4.0
117.07024	7.4
119.08582	84.1
121.09326	3.8
121.10155	65.9
123.11710	18.4
131.08525	15.9
133.09215	5.3
133.10130	60.7
135.11691	44.9
137.13263	20.5
143.08566	5.9
144.09248	3.7
145.10136	21.0
147.11694	53.8
149.13228	38.7
151.07524	4.2
156.09309	4.0
156.34329	3.4
157.10071	9.4
159.11679	26.2
161.13245	60.6
161.14560	3.7
161.46739	3.3
163.14792	23.4
169.10109	3.7
171.11661	12.5
173.13242	22.1
175.11189	4.4
175.13477	4.2
175.14838	44.2
177.12799	3.7
177.16405	17.3
179.10681	3.7
183.11687	3.6
185.13240	9.4
187.14803	14.8
189.12770	19.7
189.16367	32.3
191.17958	47.4
197.13248	5.0
199.14685	4.4
201.16370	10.9
203.14348	14.0
203.17961	62.7
205.19443	8.4
207.13797	16.3
211.14899	5.0
213.16370	8.5
215.14287	4.3
215.17966	6.7
217.19524	20.5
217.26881	3.5
221.15350	9.4
227.17883	3.0
229.19485	3.3
231.21074	4.1
233.15279	3.7
241.19412	4.0
257.22574	6.3
261.18527	7.1
269.18939	3.6
275.20010	5.0
285.22632	3.1
301.21545	6.4
315.23016	3.8
327.23163	5.3
365.31940	3.9
375.30518	4.1
393.31323	10.5
411.17676	3.6
411.32437	98.9
411.74323	16.5
412.32922	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	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74149	4.1
52.27460	4.0
55.05494	15.9
57.07066	9.0
67.05507	28.9
69.07072	28.1
71.30969	6.2
71.31298	4.7
79.05495	22.0
81.07060	52.1
83.08611	13.8
89.06045	7.8
91.05476	16.8
93.07042	39.7
95.08032	7.4
95.08603	88.5
97.40328	3.8
105.07021	40.5
107.08592	70.8
109.10168	54.5
111.08086	10.2
111.11760	4.1
117.07045	5.5
119.08585	73.0
121.10146	93.1
123.08059	5.0
123.11724	30.3
130.35507	5.6
131.08597	11.9
133.10133	59.8
135.11702	38.8
137.13235	16.5
139.07594	5.5
143.08528	10.9
145.10121	29.6
147.11694	32.2
149.13272	15.5
151.14928	5.5
157.10100	16.6
159.11681	36.3
161.13280	30.0
163.14816	11.5
166.73416	4.4
171.11685	16.9
173.13232	21.4
175.14818	18.5
177.16376	14.5
185.13274	5.5
187.14838	16.8
189.16385	25.5
191.17885	12.4
197.13269	4.2
199.14809	5.5
201.16336	47.2
203.17973	27.7
209.15280	4.8
211.14832	9.0
213.16432	9.2
215.17915	11.9
217.19510	14.5
221.15263	4.3
227.17961	9.3
229.19472	16.1
240.67555	4.3
241.19452	6.0
243.21063	10.2
255.21210	8.0
257.22702	4.2
315.23135	13.5
323.27463	14.2
324.28085	15.3
411.32407	100.0
411.37082	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	411.3259
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
52.37576	2.2
53.03936	3.9
55.05510	12.4
57.07069	10.3
67.05502	23.1
69.07059	27.1
70.72955	5.4
79.05492	9.4
81.06579	3.3
81.07059	63.3
82.07352	2.5
83.08634	12.1
85.06535	5.5
86.74474	2.2
91.05471	11.2
93.07047	26.9
95.04974	2.8
95.08610	100.0
97.10170	8.0
99.06892	2.2
105.07043	22.8
107.08602	48.4
107.09299	4.9
109.09438	3.8
109.10164	49.5
111.08049	2.8
111.11707	5.6
119.08581	27.1
121.10161	54.0
122.10374	2.7
123.11712	29.4
129.07022	2.5
131.08553	11.1
133.10136	26.0
135.08095	2.6
135.11688	30.4
136.55931	2.3
137.13255	42.7
139.07567	4.7
143.08574	5.0
145.10133	11.9
147.11714	20.9
149.13309	15.0
151.14807	4.0
157.10139	8.2
159.11703	17.3
161.13283	18.4
163.14832	11.0
165.09059	3.5
166.11630	2.7
171.11685	9.2
173.13303	12.0
175.14848	10.7
177.16415	10.9
185.13264	6.3
187.14812	10.1
187.47313	2.3
189.16293	7.9
191.17953	23.0
199.14806	6.6
201.16382	7.4
203.17905	11.3
205.19571	3.4
213.16389	6.1
215.17955	7.2
217.19536	6.6
225.16394	3.0
227.18068	3.1
229.19484	6.9
241.19476	3.3
243.21114	10.9
247.16913	3.7
255.21109	5.2
257.22665	2.9
269.22614	2.8
301.21591	9.3
315.23196	6.8
323.27322	15.5
324.27942	3.3
365.31955	5.7
393.31433	11.3
411.32324	79.5
412.33038	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	411.1989
Annotation	Flumethasone
Peak:m/z	Relative Intensity
51.94316	0.1
55.05484	0.2
58.57206	0.1
67.05470	0.2
69.03439	0.2
71.61858	0.3
74.15368	0.2
79.05484	0.4
79.09696	0.2
81.03384	0.2
81.07037	0.7
83.08599	0.2
85.02898	0.3
93.07023	0.6
95.08607	0.5
97.02892	0.2
97.06548	0.2
98.97573	0.4
105.07026	0.5
107.08572	0.6
109.10146	0.2
119.08566	0.4
121.10091	0.2
131.08614	0.2
133.10092	0.2
136.82056	0.2
145.10135	0.2
147.11696	0.4
149.13266	0.6
159.11711	0.2
161.13304	0.3
169.77470	0.2
173.13252	0.3
249.02721	0.2
411.19882	100.0
412.20309	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	411.1993
Annotation	Flumethasone
Peak:m/z	Relative Intensity
54.93870	0.3
55.01876	0.4
55.05515	0.6
56.96570	0.4
62.27774	0.4
67.05494	0.6
69.03416	0.7
69.07085	0.4
71.05010	0.4
71.61626	0.5
79.05494	0.6
81.07045	1.2
83.04977	1.7
83.08605	0.7
85.02895	1.0
86.32925	0.4
93.07056	1.3
95.08611	0.6
96.94756	0.4
105.07043	1.0
107.08596	1.2
109.10161	1.0
111.08077	0.5
111.58213	0.4
116.98632	0.5
119.08586	0.8
120.08112	1.1
120.53384	0.4
121.10165	1.3
131.08571	0.6
133.10135	0.6
143.08557	0.4
145.10156	0.6
149.13283	1.6
151.11131	0.7
157.10216	0.5
161.13280	0.5
167.14287	1.8
203.05350	0.6
209.15433	1.1
229.43596	0.3
231.13600	1.4
249.14696	1.9
259.59476	0.4
291.15945	0.4
322.97198	0.4
367.17282	0.5
411.19839	100.0
412.20212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85133	0.4
57.21217	0.4
70.35711	1.8
81.11486	0.4
83.04988	0.6
84.53236	0.5
89.26052	0.4
107.08613	0.5
111.08099	0.5
119.01924	0.6
143.01920	1.7
153.09122	0.6
161.02850	0.8
165.90115	0.4
203.05376	2.6
231.13644	1.7
249.14644	0.5
291.14496	1.1
309.15494	1.3
353.15698	5.8
393.18961	0.8
411.19904	100.0
412.20316	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	411.1989
Annotation	Flumethasone
Peak:m/z	Relative Intensity
69.65082	1.5
73.02875	0.3
78.12556	0.3
85.02905	0.4
93.07069	0.3
96.76854	0.3
98.40182	0.3
100.62420	0.3
185.04189	0.3
216.36237	0.3
242.55933	0.3
260.83151	0.3
377.87784	0.3
411.19955	100.0
412.20300	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	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.05522	0.4
56.96559	1.0
57.02554	0.4
57.03435	0.6
67.05486	0.8
69.03423	1.5
69.07056	0.7
70.22549	1.0
70.22908	1.0
71.04985	0.5
74.80166	0.4
81.07063	0.8
83.87668	0.4
85.02879	1.8
87.69312	0.4
90.05830	0.4
93.07021	0.6
97.02876	0.6
98.97588	2.6
104.91740	0.5
107.08601	0.7
116.98595	0.6
127.03954	0.8
130.98466	0.4
143.52669	0.4
158.99570	0.5
164.54909	0.5
177.00774	0.6
203.05252	3.6
211.03152	0.5
219.01695	1.1
231.13634	1.6
233.10243	0.9
236.06250	1.3
241.09769	0.5
253.37485	0.4
269.09171	0.8
291.14389	0.5
315.09933	0.7
353.15717	8.0
393.12775	0.9
405.15167	0.6
411.12424	6.2
411.19904	100.0
412.20151	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	411.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41087	1.3
62.83505	1.5
69.83241	6.2
71.48666	1.2
86.56515	1.3
110.74967	1.5
173.23378	1.3
343.18607	1.4
411.09030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.5
68.99208	2.2
71.59969	3.1
72.51434	2.5
85.43723	2.3
90.88394	2.3
102.73866	2.5
109.92430	2.5
143.00153	3.9
156.47659	2.4
156.97568	7.6
174.98601	3.5
197.00708	3.7
198.36655	2.4
206.70515	2.8
206.99132	2.9
225.00090	15.9
243.01224	3.2
279.36444	2.7
312.98242	4.5
313.01761	17.3
330.99182	3.4
331.02805	4.9
359.66263	2.7
411.09091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.0
69.03411	1.0
69.47205	3.2
69.64159	0.5
71.04956	0.6
81.07053	0.8
82.62932	0.5
84.68352	0.6
85.02918	0.9
92.03947	0.5
97.02883	0.9
98.97583	1.5
108.25710	0.5
110.97543	0.5
116.98662	0.7
135.04378	1.1
145.02789	0.6
163.03929	4.6
173.58838	0.5
246.05177	0.9
268.15857	0.5
411.12625	100.0
412.13055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44018	0.6
53.03948	3.4
56.96562	1.6
57.03437	7.2
57.97892	0.7
61.02925	2.3
69.03435	5.5
69.69230	1.4
69.69643	2.9
71.01334	0.9
73.02919	12.6
81.03418	100.0
81.07053	0.8
82.03732	0.9
85.02909	6.4
91.05460	1.1
95.04971	2.5
97.02888	7.8
98.06139	0.8
98.97587	2.4
99.04444	1.5
109.02932	1.2
111.04432	1.0
115.03936	6.4
116.98612	1.2
121.10151	0.8
123.04432	0.7
127.03917	3.0
133.04993	2.3
137.06062	0.8
143.00192	0.8
145.04979	2.1
147.04378	0.9
158.29860	0.7
163.03952	2.9
163.06027	1.1
177.00742	0.9
189.00929	0.7
195.06602	1.2
203.09340	0.7
213.07614	3.1
214.10245	0.8
219.01820	1.3
225.07448	1.2
230.06589	2.0
237.02962	2.1
331.75977	0.7
351.07565	1.1
370.87894	0.7
411.12817	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	410.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.3
56.75560	3.5
56.96559	4.4
57.03447	3.2
67.05495	18.2
69.03430	9.1
69.07065	9.2
69.62262	15.8
69.62675	5.8
71.04989	24.9
73.50932	3.5
79.05499	18.5
81.07062	31.8
85.02897	16.1
85.06545	15.2
90.07101	3.3
91.05486	16.5
93.07040	35.8
95.08601	42.1
97.02898	7.0
97.06507	8.9
98.97592	11.6
99.08135	5.1
101.42284	3.8
105.07021	9.2
107.08600	21.6
109.10211	4.9
111.08128	4.8
113.05976	3.5
113.09653	7.8
117.07012	11.1
121.06519	3.7
121.10160	8.0
131.08545	17.1
131.10623	4.2
133.10127	17.0
135.08029	6.5
135.11668	38.9
147.11667	3.8
149.13286	11.5
154.31734	3.9
158.99747	3.5
159.11682	29.6
164.04488	6.3
164.85004	3.3
173.13321	3.5
177.12758	42.8
177.16309	3.6
192.04018	3.8
195.13800	40.2
195.17508	5.6
213.14891	47.0
216.08400	6.4
231.15929	100.0
237.02756	3.3
248.12967	4.4
248.16483	4.3
252.06035	4.5
347.13504	9.4
351.12985	4.5
365.14667	5.2
393.14206	12.2
410.18729	15.5
411.15295	11.3
411.19931	30.3
420.47147	3.5
431.19577	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	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.37576	4.9
51.96094	5.6
55.05502	21.7
57.07068	12.3
67.05496	21.9
67.47960	4.6
69.07070	52.9
79.05483	15.6
81.01986	4.3
81.07054	100.0
83.06914	4.3
83.08606	17.3
88.05495	4.6
91.05493	11.6
93.07033	21.0
95.08604	71.6
97.10178	11.0
105.07016	23.6
107.08595	36.7
109.10152	54.2
119.08593	25.7
121.10157	41.2
123.11738	31.9
131.08583	7.2
133.10100	23.9
135.11693	23.3
137.13258	17.9
145.10135	18.6
147.11739	24.6
149.13243	15.8
159.11690	23.9
161.13283	11.6
163.14836	13.2
173.13219	12.8
175.14828	11.7
177.16371	13.2
187.12639	5.6
187.14719	8.6
189.16409	11.4
191.17924	11.5
201.16324	13.6
203.17883	8.0
215.17957	15.6
229.19499	16.3
243.20952	5.4
257.22720	8.7
271.24329	6.4
285.25867	7.7
327.30270	7.4
346.12985	5.2
409.38205	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05511	12.8
57.07066	8.7
67.05218	1.8
67.05510	19.9
68.74566	2.0
69.07069	24.7
69.34771	18.4
79.05505	9.0
80.09576	1.8
81.07056	67.3
83.08642	10.3
83.90070	1.8
89.00438	1.8
91.05476	7.6
93.07050	20.6
95.08607	100.0
96.31433	2.1
97.10162	6.4
98.21476	4.3
105.07025	15.4
107.08601	30.5
109.10162	60.3
111.11724	9.4
119.08578	13.1
121.10147	33.0
123.11720	23.1
125.13277	3.7
125.54340	2.0
131.08565	3.0
132.89096	2.1
133.10144	14.7
135.11703	21.7
137.13260	49.3
137.14339	2.6
145.10101	3.4
146.19498	1.8
147.11688	10.5
149.13277	25.1
151.14818	3.3
159.11650	4.5
159.19362	1.9
161.13298	10.9
163.14845	9.3
173.13330	4.4
175.14847	8.1
177.16393	16.5
179.17947	5.3
187.14819	4.6
189.16370	6.6
191.17937	17.5
201.16351	2.4
203.17911	12.0
205.19514	12.4
212.90726	1.8
215.18027	3.6
217.19585	11.6
219.20856	2.3
229.19551	4.7
231.21141	17.6
245.22653	6.7
257.22684	6.1
259.24255	10.8
271.24213	15.6
285.25739	7.2
299.27444	3.0
366.42239	2.0
409.38385	59.1
410.38388	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	409.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.05520	13.8
57.07074	13.9
61.87951	2.0
67.05505	19.3
69.07080	30.3
70.34226	2.1
70.87065	2.3
70.91425	6.7
71.08617	8.5
79.05495	11.8
81.07059	44.1
83.08640	13.4
85.10175	5.2
89.03445	2.5
89.06052	2.6
91.05464	7.3
93.07049	16.4
95.08037	4.4
95.08612	64.8
97.10173	11.6
105.07053	15.8
107.08597	23.5
109.06531	4.6
109.10163	29.7
110.40514	2.6
111.11668	5.7
112.33058	2.5
117.06991	3.4
119.08574	23.2
121.10158	16.8
123.11684	18.6
125.05999	100.0
125.13269	2.8
131.08566	10.4
132.84642	2.3
133.10146	13.9
135.11713	15.5
137.13258	21.4
143.08542	7.3
145.10152	18.2
147.11696	10.8
149.13275	15.0
151.07552	2.6
157.10136	9.1
159.11700	22.0
161.13252	7.2
163.14882	7.8
171.11673	19.8
173.13301	6.9
175.14807	8.1
177.16389	6.3
183.11668	3.9
185.13295	9.0
187.14801	7.9
189.16368	7.2
191.17987	4.5
197.13280	3.3
199.11185	9.5
201.16382	6.2
203.17999	5.7
205.19565	2.9
211.14793	3.7
213.16386	4.0
215.17984	5.8
217.19542	4.8
227.08492	2.5
227.18007	17.0
229.19495	6.1
243.21065	3.0
253.19496	2.6
255.21072	3.7
257.22711	4.1
259.24240	4.1
309.25854	5.8
323.27271	25.1
324.28079	19.8
369.56073	2.7
391.35779	14.5
409.34396	40.0
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
55.01867	1.1
55.05515	6.7
56.80778	1.1
57.07066	2.8
67.05505	13.5
68.84059	1.2
69.07069	13.2
70.06637	1.1
71.04976	1.4
71.31546	2.1
79.05489	11.0
81.07058	31.4
83.05004	1.7
83.08617	5.0
91.05478	14.7
93.07048	22.9
95.08608	51.3
97.06541	1.5
97.10207	2.3
99.08102	2.6
105.07031	32.6
107.08597	40.6
109.10162	23.8
111.08114	2.4
117.07001	6.6
119.08583	54.3
121.10144	25.3
123.08021	1.3
123.11716	11.7
125.09612	1.4
129.07051	2.4
130.07809	1.8
131.08582	19.9
133.10129	28.3
135.08083	1.9
135.11697	16.9
137.09546	1.2
137.13243	4.0
143.08551	7.2
144.09380	3.2
145.10129	51.5
147.11693	18.5
149.13257	9.8
151.11150	1.2
157.10143	10.5
158.10904	3.3
159.11699	28.2
160.12506	1.4
161.13251	14.7
163.14825	21.0
165.12689	1.4
169.10210	2.6
170.10930	1.9
171.11679	7.6
172.12447	2.3
173.13266	24.2
175.14832	10.1
177.16383	4.6
183.11729	4.9
185.13260	10.3
187.14821	100.0
189.16377	34.9
191.17966	11.6
199.14833	8.2
201.16383	30.4
203.17946	7.7
207.17468	5.1
211.14796	2.3
213.16394	5.2
215.17984	6.1
217.19461	3.1
221.19000	2.6
225.16405	2.3
227.17918	6.0
229.19534	10.5
231.21054	1.6
239.18024	1.7
241.19562	2.8
253.19638	2.2
255.20996	5.7
269.22678	2.2
295.24203	1.5
297.25766	3.4
307.29559	1.1
321.25522	1.5
331.41696	1.2
342.02682	1.2
391.33606	13.0
409.26352	13.1
409.34680	73.9
410.34903	1.5
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
51.23004	1.9
53.03946	2.9
55.05513	16.0
57.07075	5.0
62.63440	1.9
65.03957	2.3
67.05508	27.1
69.07069	24.1
69.55893	11.6
70.44575	1.8
70.52571	1.8
71.08656	1.6
79.05489	23.1
81.07056	49.1
81.07510	3.3
83.08619	12.4
85.06573	3.0
88.90063	1.9
91.05484	27.9
91.41164	1.9
93.07046	40.1
95.04964	2.9
95.08605	68.9
97.06567	3.1
97.10205	6.5
99.08082	11.6
105.07030	56.9
107.08597	57.1
109.06514	2.9
109.10159	36.7
113.09760	1.9
115.05451	2.7
117.07040	7.9
117.08467	1.8
117.64004	1.8
119.08578	60.8
121.10152	31.9
123.11726	19.6
128.06221	2.5
129.07033	3.5
131.08569	60.5
133.10141	35.9
133.11035	1.5
135.11700	29.2
137.13272	14.8
142.07820	2.4
143.08548	19.2
144.09352	4.5
145.10126	41.8
147.11690	79.2
149.13217	12.2
151.14903	2.5
155.08551	3.4
156.09410	2.7
157.10152	16.7
159.11687	38.5
161.09882	2.3
161.13264	23.7
163.14848	12.2
166.64430	1.9
169.10197	7.5
170.11034	2.2
171.11662	19.4
173.13255	25.1
175.14804	11.9
177.16435	8.3
179.14336	3.0
183.11670	10.0
185.13243	18.1
187.14819	30.8
189.12706	3.1
189.16418	17.9
191.17926	11.2
195.11659	3.4
197.13321	7.3
199.14818	13.1
201.16374	51.7
201.18185	3.0
203.14333	4.1
203.17929	15.5
203.48051	1.9
205.15846	2.1
205.19655	2.4
211.14818	12.0
213.16380	10.9
215.17947	10.5
217.15936	3.3
217.19592	6.5
219.17577	6.8
225.16464	6.6
226.17268	7.1
227.17899	10.8
229.19516	17.3
239.18042	5.2
241.19427	9.0
243.21242	5.6
253.19643	4.1
255.21169	8.1
267.21243	5.6
269.22662	10.7
281.22833	2.7
321.25848	4.3
325.20566	2.8
337.29120	6.5
351.30594	4.3
391.29596	2.1
391.33905	13.2
409.34918	100.0
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
50.12269	1.1
50.30972	1.0
53.03945	2.3
55.05506	6.3
57.07073	1.6
59.04978	1.2
60.19659	1.0
67.05501	14.7
69.07070	13.3
70.29148	2.6
70.29547	2.1
71.08640	1.1
72.27375	1.0
79.05492	9.9
79.96520	1.2
81.07056	29.7
83.08636	5.9
85.06557	1.2
91.05473	13.2
93.07044	28.8
93.07622	2.3
95.08604	64.9
97.06546	1.2
97.10181	4.0
99.08096	1.3
105.07031	31.5
107.08598	40.8
109.06506	2.2
109.09442	1.9
109.10162	28.1
111.08077	3.4
111.11703	1.6
116.65345	1.0
117.07027	4.5
119.08582	56.0
121.10148	29.4
123.08067	1.8
123.11672	9.8
125.09607	1.4
129.07013	3.7
130.07764	1.5
131.08568	21.4
133.10127	25.2
134.10516	1.0
135.11694	26.0
137.09621	1.4
137.13264	4.2
142.07745	1.8
143.08562	8.3
144.09351	2.2
145.10123	50.0
145.11282	2.4
147.11690	21.5
149.13257	14.0
155.08641	1.4
156.09361	1.5
157.10127	9.3
158.10915	3.3
159.11687	26.5
161.13249	18.3
163.11238	1.3
163.14815	22.2
170.10905	1.6
171.11720	8.8
172.12561	3.0
173.13284	22.6
175.14832	11.4
177.16359	7.0
179.14369	4.1
183.11745	3.0
185.13286	7.3
187.14821	100.0
188.15109	1.7
189.16380	27.3
191.17967	13.4
197.13289	2.3
199.14793	8.9
201.16389	37.0
203.17955	15.6
207.17477	3.8
213.16345	5.4
215.17979	5.4
217.19539	4.5
221.19055	1.7
225.16408	1.4
227.17949	7.6
229.19487	9.3
231.21057	3.0
235.20644	1.9
239.17986	1.6
241.19540	3.5
243.21089	3.3
255.21121	5.5
267.20886	1.6
269.22617	1.9
288.31512	1.1
297.25894	2.0
388.98300	1.0
391.33398	10.5
409.34686	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03938	1.9
55.05511	11.5
56.05839	0.9
57.07069	5.1
63.73380	0.7
65.03936	1.2
67.05157	1.3
67.05503	18.9
67.99374	0.7
69.03442	0.9
69.06716	1.1
69.07070	18.5
71.04977	1.5
71.08643	1.6
71.61987	0.8
72.66283	0.7
77.03923	1.4
79.05495	16.9
81.07059	43.8
83.04960	1.5
83.08621	8.4
85.06531	3.5
89.60464	0.8
91.05482	20.5
93.07043	42.3
95.04968	2.1
95.08607	76.5
97.06535	1.9
97.10153	4.2
99.08102	7.1
103.05437	1.4
103.21817	0.8
105.07034	44.7
107.08595	61.8
109.06546	1.2
109.10160	35.3
109.10915	1.8
111.08071	3.0
111.11758	1.2
117.07012	8.3
119.08582	74.8
121.10143	41.6
122.10525	1.0
123.08076	1.9
123.11709	13.6
125.09675	1.1
129.06990	5.0
129.11661	0.9
130.07773	2.7
131.08572	33.3
133.10129	35.0
135.08034	1.4
135.11696	26.3
135.85851	0.7
137.13249	7.5
139.11230	1.1
142.07819	1.8
143.08556	11.0
144.09346	3.4
145.10124	56.9
146.10809	0.8
147.11691	40.0
149.09637	1.1
149.13269	18.5
151.11217	1.2
151.14825	1.7
155.08575	1.8
156.09378	2.3
157.10135	14.2
158.10927	4.1
159.11700	44.2
160.12314	1.2
161.13268	22.2
163.14838	25.6
165.12729	0.7
165.16304	1.2
169.10101	4.6
170.10849	1.7
171.11705	13.7
172.12445	3.5
173.13261	31.1
174.13924	1.1
175.14819	15.0
177.16388	9.8
179.14319	2.6
183.11761	4.3
185.13258	13.1
185.64386	0.8
186.13985	1.2
187.14819	85.9
188.15221	1.5
189.16382	30.9
189.18079	1.7
191.17949	15.0
195.11702	1.3
195.35190	0.9
197.13246	2.9
198.14017	1.0
199.14822	11.3
201.16393	44.5
203.14301	2.3
203.16119	0.6
203.17929	14.1
205.15892	2.1
205.19469	0.8
207.17482	2.8
209.13283	1.1
211.14882	5.5
213.16353	8.3
214.17097	1.3
215.17929	12.8
217.15964	1.6
217.19556	5.0
219.17447	3.8
225.16386	2.9
226.17160	2.0
227.17931	9.9
227.19803	1.2
229.16003	1.8
229.19508	14.3
231.17491	1.1
231.21066	3.0
233.19012	1.2
235.20659	1.0
237.16356	1.2
239.17999	3.4
241.19563	5.9
243.21027	4.4
245.19035	1.2
245.22675	1.6
247.20641	0.8
251.17903	0.9
253.19589	2.2
255.21091	6.5
257.19138	1.3
257.22568	1.6
259.20593	0.9
265.19437	0.9
267.21158	2.5
269.22653	7.5
271.20642	1.7
273.22076	1.0
279.21259	1.0
281.22546	1.6
283.24118	1.0
285.22144	1.5
295.24213	1.6
297.25821	2.7
307.24274	1.0
315.26840	1.7
321.25787	3.6
325.25159	0.9
335.27408	1.6
337.28885	7.5
339.26758	1.2
351.30368	1.6
353.28381	1.1
367.30084	1.0
391.33652	12.4
409.18332	8.4
409.25919	3.4
409.34650	100.0
410.34995	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44444	2.1
51.23172	1.5
51.58230	1.4
54.53835	1.7
55.05507	8.8
57.07084	3.3
61.83839	1.6
64.55678	1.7
67.05501	14.0
69.07068	9.4
69.95689	7.5
70.67972	1.4
76.82652	1.6
79.05487	10.8
81.07052	29.3
83.08609	4.5
91.05480	15.7
92.12753	1.5
93.07050	25.1
95.08610	66.5
97.10183	4.2
98.20756	1.7
99.08084	3.4
105.07031	37.2
107.08594	43.1
109.10162	25.0
111.08137	2.0
117.07013	5.6
119.08583	53.5
121.10143	26.9
123.11708	12.1
129.06937	2.8
131.08569	20.3
133.10135	25.6
135.11693	18.7
137.13290	5.1
143.08583	7.7
144.09296	2.3
145.10121	57.7
147.11685	22.7
149.13260	13.8
156.09343	2.0
157.10100	9.7
159.11707	34.0
161.13251	18.7
163.14833	19.0
171.11687	5.4
172.12439	3.5
173.13293	24.9
175.14835	11.3
177.16405	7.0
179.14288	4.6
183.11743	3.7
185.13283	8.9
187.14818	100.0
189.16388	29.6
191.17986	13.1
193.04877	1.8
199.14810	5.9
201.16386	38.4
203.17973	15.3
207.17484	3.3
213.16379	6.7
215.17938	5.6
217.19579	6.4
219.17432	2.0
226.17203	1.6
227.17946	5.8
229.19559	10.1
231.21112	3.7
243.21063	2.5
255.21065	3.3
267.21152	3.2
269.22702	1.8
281.22528	1.7
295.24255	2.0
297.25797	1.9
313.25342	3.9
337.28912	2.7
391.33636	11.3
392.44632	1.7
409.25681	5.0
409.34650	73.2
410.34979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05512	9.2
57.07071	4.8
57.22860	1.9
67.05507	16.2
69.07073	13.8
70.19141	3.8
70.19537	4.6
79.05501	15.7
81.07058	41.0
83.08611	6.3
90.30994	1.8
91.05470	16.1
93.07041	34.9
95.08609	73.4
97.10126	3.8
105.07035	33.5
105.07682	3.8
107.08601	53.3
109.10166	29.1
117.07003	8.1
119.08585	66.0
121.10154	39.4
123.11721	13.4
129.07008	3.2
131.07690	2.8
131.08583	28.7
133.10132	37.3
135.11713	26.9
135.46260	2.1
137.13246	5.1
141.66144	1.8
142.07741	2.6
143.08563	7.2
144.09367	2.9
145.10129	62.1
147.11707	29.2
147.12801	3.5
149.13283	16.1
151.14842	2.7
155.08560	2.7
157.10115	12.0
158.10902	6.6
159.11703	44.8
159.13017	3.1
161.13258	22.3
163.14832	32.9
169.09970	2.1
171.11760	10.0
172.12463	3.8
173.13274	33.6
175.14832	12.2
177.16402	9.0
179.14334	4.4
183.11732	3.4
185.13271	14.6
186.13969	1.8
186.86826	2.0
187.14832	89.7
189.16406	31.9
191.17917	16.6
197.13225	4.6
199.14777	13.8
201.16389	48.1
203.14313	2.1
203.17934	15.2
207.17430	3.1
211.14684	4.6
213.16435	6.3
215.17944	7.8
217.19499	7.6
219.17494	3.2
221.19098	2.6
227.17943	7.0
229.19476	11.4
231.21077	4.1
239.17923	2.4
241.19557	6.6
255.21063	5.0
267.21283	2.7
269.22577	6.9
285.22266	2.5
297.25793	3.3
313.25119	2.4
315.26822	2.1
321.25565	2.5
335.27563	2.3
337.28687	3.1
350.65747	2.4
391.33655	14.8
396.69977	2.1
409.25961	3.9
409.34653	100.0
410.34937	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05510	8.7
57.07061	3.4
59.04972	1.0
65.03935	1.6
67.05161	1.1
67.05502	15.8
69.06721	0.7
69.07067	10.7
70.40389	2.9
71.05000	1.2
77.03942	0.7
79.05054	0.8
79.05493	13.1
81.07059	30.6
83.08611	5.0
91.05479	17.0
93.07047	30.6
94.41811	0.6
95.04977	1.8
95.08606	72.4
97.06529	1.7
97.10171	3.4
99.08085	2.3
105.07035	31.8
107.08592	43.1
109.06585	1.4
109.10160	27.3
111.08065	2.8
111.11713	1.6
114.93639	0.7
115.05451	1.0
117.07003	6.3
119.08579	56.8
121.10147	32.5
123.08060	1.4
123.11712	11.5
125.09622	1.4
128.06163	0.7
129.06995	2.3
130.07750	2.1
131.08577	24.3
133.10133	26.7
135.08109	0.8
135.11690	22.6
137.09653	1.3
137.13237	5.3
139.11214	1.5
142.07787	1.1
143.08566	6.6
144.09337	2.5
145.10123	57.7
146.10783	0.9
147.11684	23.2
149.13249	11.1
151.14832	2.0
155.08498	1.3
156.09392	1.4
157.10123	10.8
158.10928	3.4
159.11693	31.7
160.12369	0.7
161.13254	19.0
163.11174	1.0
163.14832	20.7
165.12770	1.4
168.09431	0.6
169.10205	1.5
170.10916	1.1
171.11693	5.3
172.12497	2.9
173.13264	25.1
174.14008	1.0
175.14824	11.6
177.16359	6.1
179.14381	3.5
183.11670	2.3
185.13274	7.8
187.14822	100.0
188.15147	2.0
189.16379	28.0
191.17947	16.0
197.13286	1.9
199.14807	9.5
201.16385	43.0
203.14703	0.8
203.17952	15.3
205.15881	1.0
205.19633	1.0
207.17435	5.2
211.14827	2.4
213.16309	4.8
215.17938	5.1
217.19507	5.7
219.17531	1.2
221.19051	2.0
225.16304	1.6
227.17960	5.7
229.19489	8.3
231.21072	3.5
232.23888	0.7
235.20633	0.9
239.18027	1.7
241.19539	3.2
243.21159	2.1
253.19537	2.7
255.21101	3.8
259.20767	1.0
267.21237	1.1
269.22717	3.6
281.22781	0.9
295.24261	0.9
297.25784	2.4
313.25204	1.2
315.26813	1.2
321.25928	0.9
337.28687	1.7
339.26935	0.8
368.13126	0.8
383.74155	0.7
391.33582	12.4
409.25958	1.9
409.34662	74.3
410.35052	2.6
411.47528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05035	1.1
50.87057	1.0
53.03941	1.3
55.05502	5.1
57.07076	2.5
67.05509	9.3
69.03420	1.2
69.07067	10.1
69.66956	6.3
71.08636	1.3
73.52302	1.2
79.05499	9.8
81.07057	24.8
83.08627	5.2
91.05499	7.6
93.07048	19.6
95.04955	1.9
95.08611	29.3
97.06561	2.3
97.10209	1.4
105.07025	16.0
107.07871	1.5
107.08600	31.4
107.35179	1.0
109.10159	19.7
109.45078	1.2
111.08081	1.6
111.11739	1.5
117.07031	2.8
119.08576	22.8
121.10148	22.3
123.08066	1.2
123.11723	6.1
128.06178	1.1
131.08566	7.6
133.10127	17.1
133.11063	1.5
135.11694	14.6
137.13266	7.3
142.07816	1.2
143.08588	5.3
144.09392	1.4
145.10117	12.1
147.11700	16.4
149.13269	27.9
153.33722	1.2
157.10138	7.1
159.11713	10.4
161.13313	7.3
163.14830	30.1
169.10172	2.4
171.11708	6.5
173.13260	8.8
175.14816	10.0
177.16411	8.7
183.11697	2.5
185.13295	6.0
187.14850	14.6
189.16371	12.6
190.70503	1.3
191.17984	3.4
197.13171	1.4
199.14819	5.4
201.16412	9.4
203.17950	14.2
205.15819	1.3
207.17348	1.7
211.14922	2.6
212.15501	1.3
213.16333	6.0
215.17987	12.5
215.31311	1.2
217.19640	1.6
219.17471	2.2
225.16435	1.9
227.17955	7.5
228.18774	1.9
229.19511	7.4
231.21133	1.6
233.15506	2.2
239.17998	1.9
241.19516	7.3
243.21123	5.0
253.19598	2.6
255.21089	17.3
257.22668	4.6
259.20673	3.8
267.21194	2.6
269.22559	7.7
281.22720	1.5
285.22131	9.7
287.23306	1.4
295.24286	4.0
313.25296	2.0
321.25943	1.1
391.33603	12.0
409.34705	100.0
410.34973	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.05507	14.4
57.07070	5.5
60.86965	2.4
67.05499	18.9
69.03428	16.4
69.07059	25.2
70.10525	2.0
70.85025	2.1
70.94308	6.3
79.05492	17.5
81.03444	5.6
81.07056	53.8
83.04983	5.1
83.08616	9.3
85.02903	7.5
85.06528	4.1
87.00861	2.4
87.04461	2.3
91.05483	25.5
93.07047	35.0
95.04955	5.4
95.08604	80.7
97.02898	3.3
97.06500	5.4
97.10172	4.6
103.05424	2.6
105.07025	50.5
107.07857	3.5
107.08596	64.6
109.02877	3.5
109.06496	4.0
109.10152	42.3
111.04459	5.7
111.08097	7.7
113.09722	2.5
115.27267	2.0
115.68812	2.0
117.07005	10.3
119.08576	75.1
121.06519	4.3
121.10144	45.5
123.11707	29.9
125.09650	2.4
127.03920	2.6
128.06221	4.3
129.07034	3.8
130.07767	4.1
131.08571	32.7
133.09120	2.5
133.10123	45.6
135.08025	4.0
135.10759	1.6
135.11694	37.4
136.97650	2.1
137.06041	3.2
137.09621	2.7
137.13234	5.3
142.07762	3.1
143.08537	11.5
144.09306	3.9
145.10121	78.1
147.11690	40.8
149.13242	15.8
151.07581	2.5
151.11215	6.7
155.08572	2.4
157.10139	15.8
158.10895	8.4
159.11705	46.1
160.12376	2.4
161.09622	4.9
161.13263	27.9
163.14841	23.0
165.12790	3.1
167.07076	3.4
169.10175	3.2
171.11682	7.9
173.13263	41.1
175.11293	3.4
175.14838	23.8
177.16403	12.1
179.14360	2.8
179.17961	2.7
183.11691	6.2
185.13298	11.8
186.13824	3.0
187.14816	85.4
189.16391	53.2
191.17896	10.9
197.13286	3.9
199.14854	15.6
201.12616	3.2
201.16391	63.8
203.10635	2.8
203.17928	26.0
207.17479	19.9
211.14871	4.2
213.16368	11.0
215.17932	15.1
217.19528	4.2
219.17456	5.7
221.19044	10.0
223.14793	2.3
227.17989	7.3
229.15826	3.3
229.19565	11.2
231.21237	2.1
237.16298	2.5
241.19478	3.7
247.13190	3.9
247.17197	2.4
255.21185	5.0
259.20651	2.6
269.22754	3.3
287.20215	3.5
364.26941	2.2
391.21298	3.9
391.33508	14.6
409.18179	10.5
409.23074	2.9
409.34659	100.0
410.34985	2.9
429.31555	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.7
57.07073	2.3
67.05513	12.3
69.07069	10.8
73.95305	1.2
79.05503	11.3
81.07060	32.7
83.08604	6.8
85.06530	2.5
90.43631	1.2
91.05472	14.2
91.14410	1.4
93.07049	28.1
95.08613	34.5
97.10146	3.8
105.07032	49.6
106.12149	1.4
107.08597	32.1
108.32047	1.3
109.06515	5.9
109.10156	17.5
110.69340	1.2
117.07009	3.8
119.08585	42.7
121.09293	3.0
121.10151	48.3
123.08084	2.7
123.11715	5.6
129.07050	1.3
131.08569	9.3
133.06508	2.4
133.10139	26.8
135.08046	3.7
135.11699	14.8
137.13269	3.3
142.07787	1.6
143.08568	5.5
145.10138	11.8
147.08060	2.8
147.11684	17.5
149.13281	16.8
157.10121	4.7
159.11746	10.5
161.09619	2.4
161.13283	10.4
163.14821	10.3
171.11604	4.4
173.13284	4.3
175.14830	19.8
177.16409	8.4
185.13231	10.0
187.14832	14.5
189.16438	9.9
191.17957	8.4
199.14844	1.7
201.16441	3.7
203.14320	72.9
203.18016	4.3
205.15892	30.2
212.99483	1.3
213.16353	4.7
215.17932	9.5
217.19644	2.3
219.17392	2.6
227.17952	1.5
229.10089	1.7
229.19456	6.7
231.17462	3.0
241.19565	3.2
243.21252	1.6
255.21056	3.1
267.21078	1.8
269.22778	1.7
270.55591	1.4
295.24158	1.9
313.25046	1.9
391.33701	7.5
409.34705	100.0
410.34946	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22418	1.3
51.47049	1.4
55.05521	8.0
57.07072	3.6
67.05499	15.4
69.07067	14.1
70.12167	5.0
70.80271	1.2
71.12362	1.3
79.05482	12.2
81.07056	29.8
83.08591	7.4
88.48813	1.5
91.05460	11.6
93.06474	1.5
93.07044	24.8
95.08604	68.4
97.10121	1.7
99.08090	1.8
105.07030	28.0
107.08591	40.2
109.10153	26.9
111.08089	2.3
117.07011	5.7
119.08574	55.8
121.10143	31.3
123.08064	2.1
123.11700	9.6
125.09508	1.8
129.06970	1.8
130.07797	2.6
131.08560	24.3
133.10133	26.2
135.11681	26.0
137.13242	3.3
143.08531	6.2
144.09349	2.9
145.10124	55.0
147.11702	22.0
149.13243	10.3
157.10155	9.8
158.10930	4.1
159.11685	27.8
159.98457	1.5
161.13245	17.3
163.14804	23.4
165.12732	1.6
171.11684	6.0
172.12430	2.3
173.13260	26.2
175.14780	9.5
177.16347	7.1
179.14284	3.6
183.11714	2.5
185.13251	7.6
187.14816	100.0
188.15211	1.8
189.16382	27.0
191.17944	13.3
199.14885	7.0
201.16380	47.2
203.14548	1.5
203.17932	11.9
207.17482	4.8
213.16441	5.4
215.17923	7.8
217.19513	4.5
221.18927	2.9
227.17807	7.2
229.19458	8.2
231.21133	4.1
239.17805	2.2
243.20999	2.1
255.21140	4.4
269.22656	4.4
297.25708	1.8
321.25870	1.7
391.33505	8.8
409.34662	67.7
410.35031	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05504	11.2
57.07067	3.1
61.73088	2.1
67.05505	22.9
69.06779	1.6
69.07075	16.5
71.12001	5.3
79.05507	19.9
81.07059	62.4
83.08606	6.0
91.05467	17.3
93.07053	45.4
95.04940	3.9
95.08614	100.0
97.10159	3.7
105.07037	49.5
107.08601	65.4
109.06535	3.7
109.10164	41.0
111.08098	10.3
117.06992	6.0
119.08591	44.9
121.10143	44.5
123.11681	15.3
129.07007	6.5
130.07750	2.3
131.08556	21.8
133.10133	30.5
135.11700	22.9
137.09634	3.5
137.13284	6.1
143.08562	14.5
145.10130	32.9
147.11696	37.1
149.13252	32.9
157.10114	10.6
158.10924	2.2
159.11696	24.5
161.13254	19.8
163.14836	21.0
171.11697	8.2
173.13258	16.8
175.14830	19.1
177.16386	15.7
183.11700	4.6
185.13246	7.6
187.14856	30.3
189.16400	21.3
191.17932	8.0
197.13164	2.8
199.14813	8.2
201.16399	17.3
203.17975	19.1
205.15894	7.5
205.19484	3.3
211.14691	2.8
213.16441	16.4
215.17947	10.8
217.15883	4.2
217.19449	4.9
219.17511	3.8
225.16219	3.0
227.17914	7.7
229.19547	4.8
229.22470	2.1
231.17447	2.7
239.18025	3.4
241.19484	8.4
243.21095	5.6
253.19629	3.3
255.21049	11.4
257.22836	4.2
267.21140	4.9
269.22714	5.8
281.22568	2.4
295.24057	2.9
313.25223	6.9
349.28854	2.2
351.30283	5.6
391.33749	11.7
409.34827	63.3
410.35049	3.7
428.65625	2.5
429.80518	1.9
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
55.05511	9.3
55.82478	1.5
57.07059	6.5
61.41594	1.3
67.05505	18.0
69.06708	1.9
69.07067	23.2
71.08614	1.7
71.91235	1.6
72.08131	1.5
79.05460	6.0
80.09357	1.4
81.07056	47.2
81.55144	1.4
83.08620	9.3
83.72245	1.4
91.05455	5.6
93.07050	11.1
95.08607	77.9
97.10155	7.6
100.94025	1.7
105.07012	9.1
107.08588	21.9
109.10156	29.3
111.11694	6.5
116.46857	2.0
119.07764	2.5
119.08587	33.7
121.10142	19.1
123.11698	18.8
125.13316	2.0
131.08572	9.7
133.10139	11.6
135.11700	17.9
137.12299	2.8
137.13258	34.4
143.08531	5.8
144.09349	1.9
145.10112	17.5
147.11696	9.9
149.13257	13.6
151.14778	2.5
157.10078	9.3
159.11681	26.9
161.13229	6.7
163.14828	7.4
165.12703	1.9
169.09941	1.8
170.10875	3.5
171.10410	1.6
171.11641	8.6
173.13213	6.0
175.14757	5.9
177.16309	9.3
183.11694	3.7
185.13248	29.5
187.14799	3.8
189.16388	3.9
191.17883	7.2
193.19481	1.8
195.27478	1.8
197.13124	2.1
199.14764	5.7
201.16345	4.4
201.83427	1.6
203.17906	5.8
213.16280	5.4
215.17902	5.0
217.19453	4.5
227.17850	4.3
229.19476	5.3
231.21036	2.8
243.20999	2.1
245.22379	1.8
253.19423	3.4
255.18340	2.5
255.21062	50.7
257.22495	4.7
259.24118	6.5
267.20966	3.4
269.22620	12.3
271.24075	3.9
271.29294	1.9
274.75122	1.9
295.23959	3.5
323.27313	28.4
324.27905	4.1
340.71402	1.7
351.30481	2.5
373.38824	1.7
391.33411	6.2
409.34387	100.0
410.34619	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25127	2.0
55.05508	14.0
57.07076	3.6
65.92720	1.7
67.05509	16.6
67.91579	1.8
69.07081	14.4
69.07379	2.9
71.12843	3.3
71.13148	2.2
74.54626	1.9
75.05553	1.9
75.28194	2.2
79.05488	16.0
81.07059	36.7
83.08617	6.2
83.22486	2.0
91.05485	20.2
93.07050	37.6
95.08607	83.3
97.10156	2.6
99.08089	3.3
105.07028	40.1
107.08597	54.9
109.06535	2.4
109.10158	27.7
117.06978	9.5
119.08581	67.1
119.09446	3.3
121.09310	2.7
121.10152	41.4
121.11019	3.7
123.11683	12.1
129.07001	2.5
131.08572	28.6
133.10123	27.5
135.11693	29.7
137.13216	7.3
143.08549	9.2
144.09383	4.2
145.10124	71.7
147.11685	33.6
149.13277	11.8
156.09334	2.5
157.10130	12.5
158.10922	5.7
159.11711	46.2
161.13261	24.3
163.14838	25.9
169.10229	3.1
171.11687	9.8
172.12503	3.6
173.13269	36.6
175.14825	12.8
177.16371	10.5
179.14255	4.7
183.11745	6.4
185.13268	10.7
185.39677	2.1
187.14822	100.0
189.16380	32.9
191.17944	13.9
196.12263	2.0
197.13216	3.1
199.14833	10.2
201.16388	44.6
203.17924	13.3
207.17435	5.5
210.26535	2.1
211.14647	2.7
213.16357	8.3
215.17949	12.3
217.19502	6.3
227.17975	11.5
229.19556	18.0
231.21118	4.2
241.19518	5.0
243.21001	3.4
253.19450	2.8
255.21092	7.7
269.22684	9.1
293.18167	1.9
313.25201	3.0
315.26877	2.4
337.28976	3.1
391.33563	12.9
409.34656	100.0
410.35101	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05510	10.2
57.07059	2.5
59.93217	1.2
67.05505	13.3
67.79797	1.3
69.07069	11.8
69.86382	3.9
69.86786	2.9
69.92346	1.2
71.24903	1.4
79.05495	10.9
81.07060	30.6
83.08636	6.5
91.05467	14.7
93.07039	26.3
95.08607	64.9
97.06502	2.4
97.10169	4.1
99.08076	3.9
105.07025	31.0
107.08599	43.6
109.10161	23.3
111.08061	1.9
117.07011	6.2
119.08585	54.0
121.10144	26.6
123.10893	1.7
123.11714	13.0
128.06210	1.6
129.07010	2.3
130.07758	2.1
131.08568	26.2
133.10133	25.1
135.11707	25.0
137.13254	7.2
143.08562	6.5
144.09267	3.1
145.10130	50.6
147.11673	22.6
147.75423	1.4
149.13284	10.3
151.11153	2.2
151.14796	1.7
157.10133	10.2
158.10902	2.9
159.11696	28.2
161.13264	19.2
163.14809	18.2
169.10146	2.8
171.11687	6.9
172.12468	2.6
173.13290	17.5
175.14856	9.8
177.16411	5.5
177.96844	1.2
179.14294	3.9
183.11679	5.2
185.13318	8.8
187.14824	100.0
188.15343	1.9
189.16386	25.9
191.17976	14.7
197.13251	2.5
199.14783	6.5
201.16376	35.6
203.17957	12.9
204.48355	1.3
207.17404	3.3
211.14876	1.8
213.16335	5.6
215.17967	6.1
217.19542	4.9
219.17416	2.0
225.16405	2.7
227.18011	7.2
229.19522	8.7
231.21114	4.3
239.17940	2.3
241.19569	2.1
253.19720	1.6
255.21025	3.8
267.20920	1.8
269.22675	3.7
279.21420	1.5
297.25742	2.5
337.28912	2.5
372.55817	1.4
391.33774	10.7
409.26053	2.7
409.34665	65.3
410.35199	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	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01874	10.0
55.05509	14.7
57.03436	5.6
57.07077	16.8
62.31978	1.2
67.05502	4.7
67.94911	1.0
69.06718	1.7
69.07069	29.5
69.59756	6.6
71.08625	11.2
81.03419	12.3
81.07070	9.4
83.08620	20.4
85.10178	7.1
91.05477	2.0
93.07033	2.8
95.04951	1.2
95.08625	12.3
97.10169	11.2
98.21433	2.5
105.07027	3.8
107.08599	3.7
109.02876	41.2
109.10147	5.5
111.11709	7.6
113.09640	3.0
115.03939	8.5
119.08573	3.7
121.10121	2.3
123.04432	1.7
123.11736	3.2
125.13274	3.3
127.03919	100.0
131.08514	2.6
133.10106	1.9
137.09602	1.6
137.13252	1.9
139.14786	1.5
141.05460	7.0
145.10088	2.8
149.13220	2.0
155.07021	2.6
159.11758	2.0
161.13235	2.1
167.07018	1.3
169.08585	7.7
169.09981	2.0
173.13171	1.5
177.09111	1.5
183.10184	15.8
187.14737	1.8
189.16409	1.3
191.17955	1.5
192.28297	1.4
195.10143	4.6
197.10118	1.3
197.11661	7.7
201.16383	1.7
209.11845	2.3
211.13319	6.8
223.13222	3.5
225.14877	4.8
237.14859	2.2
239.16412	5.3
251.16400	3.1
253.17918	5.5
265.17941	5.5
267.19577	6.2
279.19571	3.8
281.20996	2.7
282.81430	1.3
293.21069	3.7
295.22745	2.6
307.22714	1.5
309.24316	3.8
321.24142	2.5
335.25687	2.7
391.32062	28.0
392.32071	1.4
409.34122	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	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01535	2.7
53.03941	2.6
54.44933	2.6
55.01872	19.8
55.05508	49.5
57.07074	56.8
67.05499	18.2
69.07066	100.0
69.64181	9.7
69.64616	11.8
69.77633	2.9
71.04963	2.7
71.08269	4.3
71.08628	43.5
76.02699	2.9
79.05482	14.7
81.03417	4.9
81.07056	47.9
83.08619	67.5
85.10177	25.0
91.05486	14.0
93.07030	26.7
95.04977	4.7
95.08603	65.7
97.06535	7.9
97.10172	48.3
98.21441	6.3
99.04439	7.2
99.11735	3.6
105.07044	18.1
107.08589	36.7
109.02865	8.2
109.06499	6.0
109.10154	33.4
111.08090	5.5
111.11713	31.2
115.03949	3.3
117.06992	4.8
119.08587	26.5
121.06482	5.4
121.10133	31.0
123.08033	6.3
123.11703	17.4
125.02345	44.4
125.06007	8.8
125.09609	4.5
125.13264	9.3
127.03903	45.5
131.08577	18.3
133.10158	13.8
135.08043	7.8
135.11705	16.3
137.09583	4.6
137.13242	11.9
139.03886	5.0
139.07520	18.6
141.05501	3.8
143.03416	3.9
143.08566	6.8
145.10107	20.4
147.11685	13.6
149.09622	13.8
149.13284	11.9
151.07562	3.6
151.11070	4.9
155.07123	3.2
157.10112	8.0
159.11691	28.1
161.13258	10.0
163.07501	4.8
163.11116	5.3
163.14821	7.5
165.09064	5.1
167.07016	6.8
169.08578	22.3
171.11726	17.2
173.13239	13.6
175.14839	5.8
177.09077	25.7
177.12904	3.5
177.16426	4.1
179.10634	5.4
181.08574	4.9
183.10133	15.9
185.13231	17.6
187.14832	6.8
191.10730	6.1
191.14308	5.5
193.12315	3.7
195.10213	26.8
195.11945	4.7
197.11690	5.0
199.14836	6.3
201.12691	3.3
201.16368	5.7
209.11691	3.9
213.16356	3.4
215.14453	4.9
217.19626	3.5
227.17950	5.2
229.19592	4.2
231.20969	3.8
237.14835	5.4
251.16461	5.5
253.17809	4.9
255.21071	15.8
265.18173	5.1
279.19571	6.3
293.20883	3.2
317.24692	4.9
321.24319	2.9
323.27328	15.4
324.28146	17.5
327.30493	7.4
331.29913	6.6
335.25803	4.0
345.31616	14.0
355.29941	7.8
373.30997	39.0
386.88171	2.9
391.31952	72.6
409.34293	28.0
433.70792	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	409.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01833	2.1
55.05506	20.0
57.07074	5.6
59.68340	2.3
60.02068	2.1
61.63581	2.3
64.71568	1.9
67.05161	2.9
67.05505	31.6
69.03423	2.2
69.07072	32.4
70.92903	3.8
70.93245	4.6
71.04980	4.7
71.08620	2.4
79.05490	21.4
81.07055	72.5
83.08610	13.0
91.05476	31.2
93.07042	58.0
95.05006	2.9
95.08605	100.0
97.06535	3.8
97.10175	5.2
98.39913	1.9
99.08080	2.6
99.96169	2.3
105.07035	72.4
106.32764	2.1
107.08590	74.6
109.06515	6.1
109.10155	46.6
111.08080	4.0
111.11754	2.8
113.17985	2.5
117.07003	12.3
119.08577	70.7
121.06524	2.3
121.10138	56.9
123.08077	3.8
123.11708	22.2
127.09940	1.9
128.06178	2.8
129.07005	6.2
130.07756	3.0
131.08574	44.3
133.10123	49.1
135.08051	4.5
135.11697	39.9
135.28284	2.3
137.05971	5.6
137.09654	2.5
137.13277	11.9
139.03168	2.1
139.07515	3.1
139.11194	5.7
139.93311	2.0
142.07745	4.8
143.08521	14.5
144.09309	6.0
145.06526	4.3
145.10106	41.7
147.10539	1.5
147.11671	40.3
149.05977	9.2
149.09602	2.9
149.13254	35.5
151.07593	2.7
155.08534	3.3
157.10133	20.4
158.10910	5.0
159.08009	2.9
159.11682	48.0
161.09648	4.0
161.13257	26.5
163.07556	3.8
163.14809	32.3
167.14334	2.5
169.10147	5.8
171.11638	13.0
173.09634	4.3
173.13264	46.2
175.11206	4.1
175.14818	24.5
177.09071	2.8
177.12772	2.6
177.16418	13.8
183.11679	7.7
185.13274	11.9
187.11179	5.1
187.14795	28.3
187.16229	3.4
189.16368	29.3
191.10590	2.6
191.14252	3.0
191.17941	62.6
194.37917	2.1
195.17476	4.1
197.13216	8.1
199.14824	13.0
201.12735	18.0
201.16405	20.5
203.14314	2.7
203.17960	22.3
205.12311	11.2
205.13989	2.0
205.15948	3.9
205.19536	2.9
207.17471	3.6
211.14883	7.3
213.12769	2.0
213.16420	10.2
215.17987	17.7
217.16003	3.5
217.19516	17.0
219.13806	20.2
225.16222	3.1
227.14362	2.4
227.17909	11.1
229.15956	2.7
229.19498	6.4
231.21164	6.2
237.16451	4.4
239.17937	6.2
241.19453	5.7
243.21060	6.6
253.19539	5.1
255.21240	10.9
257.22534	2.6
267.21045	3.5
269.22638	13.0
271.20731	2.3
321.25577	2.3
391.29315	4.9
391.34195	15.0
409.26346	8.1
409.30621	23.5
409.34698	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28791	2.1
53.03937	3.8
55.05517	12.3
57.07084	2.2
59.04992	1.6
65.03922	2.2
67.05508	17.4
69.07061	11.7
79.05496	21.1
81.07060	53.7
83.04963	3.1
83.08596	5.2
90.36644	2.1
91.05481	30.1
93.07050	34.9
95.04959	9.6
95.08611	61.1
97.06517	3.8
97.10101	2.7
98.21577	3.8
103.05412	3.0
105.07034	100.0
107.08597	38.6
109.06474	7.4
109.10157	16.8
111.08046	5.4
115.05441	1.8
117.07023	22.0
119.08585	87.2
120.08910	1.9
120.67677	1.7
121.06463	5.1
121.10146	30.2
123.08025	5.9
123.11684	6.6
128.06215	3.1
129.06958	7.0
131.08575	42.9
133.06386	2.0
133.10143	27.1
135.08000	6.7
135.11697	10.3
137.05914	2.4
137.09560	4.6
137.13210	1.8
139.11115	3.3
142.07748	5.0
143.08565	12.8
145.10136	39.4
147.08084	4.6
147.10617	2.7
147.11679	28.0
149.09612	4.3
149.13318	11.1
155.08487	5.1
156.09274	3.3
157.10138	17.3
158.10887	4.0
159.08009	3.3
159.11684	21.3
161.09613	4.6
161.13300	10.1
163.11113	5.2
163.14836	9.7
165.09045	5.8
169.10063	5.8
171.11716	9.1
173.09529	2.4
173.13271	44.0
175.11142	5.0
175.14842	41.4
177.16405	24.3
183.11607	5.0
185.13287	9.7
187.11200	3.5
187.14809	16.7
189.12672	5.0
189.16325	7.9
191.14243	10.2
191.17966	4.4
193.10254	2.4
195.11722	2.1
197.13205	4.0
197.82428	1.8
199.14752	6.9
201.12665	5.0
201.16362	8.5
203.14220	6.2
203.17918	5.1
205.15819	9.9
207.11670	2.5
211.14769	3.0
213.16293	4.2
215.14253	2.0
215.18094	4.2
217.15887	8.6
219.13812	20.2
219.17331	4.7
221.15358	9.1
223.14638	2.2
225.16237	4.9
227.17972	3.4
229.15872	3.0
229.19493	3.0
230.27168	2.0
231.17368	2.9
234.16019	2.3
237.16321	2.9
239.17975	3.3
241.19557	3.9
243.17264	2.4
253.19376	2.5
255.21016	2.6
271.20566	2.0
281.22668	3.7
287.20108	4.3
299.23410	1.9
308.16693	2.1
313.25171	3.9
340.15457	1.9
373.29178	2.3
391.29575	13.4
409.30759	62.2
409.34534	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	409.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05504	8.5
57.07087	2.0
59.47984	1.2
65.03956	1.6
67.05505	11.7
69.07067	9.8
69.42169	2.7
69.42575	9.2
79.05487	13.3
81.07050	37.7
81.07510	2.8
83.08615	7.0
90.97045	1.1
91.05470	16.3
93.07035	20.0
95.04948	1.3
95.08599	36.4
97.06516	1.9
97.10167	2.7
105.07024	100.0
107.08585	29.6
109.06526	2.5
109.10153	19.3
113.05979	1.3
115.05451	1.7
117.07018	12.7
119.08572	70.6
121.06515	2.0
121.10144	18.3
123.08079	2.3
123.11720	5.9
129.07022	4.7
131.08566	27.0
133.10129	27.7
135.08072	1.4
135.11684	10.7
137.13232	4.4
137.42310	1.3
139.11140	1.3
143.08549	8.6
145.10118	24.9
147.11681	20.2
149.09666	2.2
149.13240	17.0
149.73967	1.5
151.11171	1.5
155.08528	1.9
157.10150	8.1
158.10837	3.2
159.11699	12.7
161.09642	1.9
161.13231	10.1
163.14856	7.2
169.10109	3.0
171.11702	5.0
173.13260	35.1
175.14822	60.0
177.16389	12.1
179.14211	2.0
183.11655	4.0
185.09642	1.8
185.13275	3.2
186.37054	1.7
187.11160	2.4
187.14813	10.9
189.12573	1.5
189.16411	15.0
191.14311	3.6
191.17937	5.4
193.15898	4.0
197.13243	3.5
197.52615	1.3
198.57072	1.3
199.14853	8.9
201.12714	2.6
201.16441	5.5
203.14392	2.1
203.17958	5.5
205.12253	1.5
205.15883	3.2
213.16399	3.4
215.17943	5.6
217.15845	9.3
217.19431	2.1
219.13834	9.2
221.15233	2.2
223.14731	1.8
225.16475	1.8
227.17967	2.7
228.38205	1.5
229.19450	3.2
233.15259	1.5
239.17914	1.7
241.19505	3.3
243.20964	2.0
253.19455	1.9
255.21149	4.1
256.09268	1.3
267.21201	1.5
294.16440	1.2
351.30511	2.4
363.30386	1.6
363.71591	1.4
391.29538	9.4
391.34158	2.9
409.30356	30.7
409.34833	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93963	1.7
53.03940	6.0
55.01853	2.6
55.05513	22.0
56.96558	2.1
57.07074	9.0
59.04991	4.2
65.03934	2.0
67.05161	2.3
67.05508	30.7
69.03426	5.3
69.07070	26.4
71.04978	5.0
71.08598	2.1
71.61718	3.1
78.24534	1.7
79.05495	22.8
80.70020	1.8
81.07059	60.6
83.04984	3.4
83.08618	13.1
85.06538	6.1
91.05482	36.2
93.06459	2.8
93.07045	59.3
95.04971	28.9
95.08608	64.4
97.06525	6.8
97.10162	7.2
102.16530	1.6
103.05487	2.5
105.04518	2.8
105.07035	80.9
106.07361	2.1
107.08594	54.4
108.05705	2.3
108.08843	1.8
109.06519	11.3
109.10159	47.3
110.34763	1.8
111.08112	3.7
113.09700	3.0
117.07039	15.9
119.08584	70.6
119.09455	3.7
121.06525	12.7
121.10134	34.6
123.08077	13.8
123.11698	9.1
125.09671	2.1
128.06226	5.5
129.06993	8.9
130.07805	4.2
131.08569	31.7
133.06500	4.7
133.10136	34.7
135.08083	9.5
135.11699	17.2
137.06044	2.4
137.09627	6.6
137.13231	6.8
139.11206	4.1
141.07014	3.5
142.07788	8.8
143.08575	17.9
144.09325	4.1
145.06508	3.0
145.10132	47.6
147.08041	11.1
147.11688	36.6
149.09634	8.0
149.13266	16.0
151.07559	16.3
153.12733	4.0
154.94102	2.0
155.08517	9.2
156.09305	4.3
157.10132	23.2
158.10793	1.9
159.08025	3.9
159.11705	32.3
160.08841	2.6
161.09613	7.7
161.13242	14.0
163.11194	4.9
163.14828	19.1
165.09119	16.9
167.08566	3.7
168.09346	3.5
169.10139	10.5
170.10838	2.7
171.11707	15.7
172.12457	1.9
172.95192	2.0
173.09641	3.8
173.13297	18.2
175.11203	15.7
175.14818	12.3
177.09064	2.3
177.16353	7.6
179.14371	2.8
181.10107	4.0
181.15897	5.2
182.10918	1.6
183.11682	10.7
185.09587	2.3
185.13281	14.1
187.11224	4.1
187.14844	39.6
189.12744	6.8
189.16428	15.9
191.18013	4.8
191.46477	1.8
194.10973	1.9
195.11699	3.5
196.12392	2.5
197.13255	7.0
199.11223	2.0
199.14795	7.7
201.12791	4.9
201.16402	24.2
203.14360	13.9
203.17941	11.4
205.15868	2.0
207.13835	5.8
207.17416	4.2
209.13286	3.7
211.11252	1.7
211.14819	6.7
213.16405	8.2
214.17007	2.0
215.14406	2.6
215.17918	10.1
217.15897	3.1
217.19543	3.3
219.13869	2.6
219.17538	2.5
221.13412	1.6
221.15358	43.4
225.16399	5.4
227.14308	2.3
227.17923	10.1
229.15874	5.7
229.19513	7.9
233.15392	2.3
234.16180	5.5
239.14264	2.7
239.18063	2.9
241.15738	1.7
241.19536	6.2
243.20920	2.4
253.19484	5.8
255.17886	1.7
255.21046	9.2
257.22598	4.6
267.21030	3.0
269.22696	8.7
281.22650	1.9
283.24200	4.4
285.22269	2.1
287.19971	5.9
295.24203	2.5
299.19986	2.0
300.20898	2.3
329.21170	2.7
349.28748	1.9
371.61197	2.0
373.31049	2.0
386.22906	5.7
391.26025	3.6
391.33884	15.3
409.27252	28.6
409.34616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19799	0.2
69.44889	1.7
82.62045	0.2
83.04908	0.2
93.07040	0.3
98.20702	0.4
98.98372	0.3
129.06941	0.3
156.70680	0.2
159.11763	0.2
203.05280	0.4
247.13065	3.1
248.06046	0.2
261.28763	0.2
267.85461	0.2
285.09314	0.3
409.18323	100.0
410.18768	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01853	3.3
55.05511	25.7
57.03452	2.1
57.07060	8.3
59.05004	2.5
59.79874	2.0
65.03949	3.0
67.05505	35.7
69.03427	5.3
69.07066	25.6
70.12409	8.5
71.05003	5.0
79.05490	26.0
81.03406	2.7
81.07057	54.9
81.07509	3.5
83.04987	7.0
83.08611	10.6
85.06557	6.2
91.05476	32.2
93.07045	61.7
95.04973	34.4
95.08606	69.3
97.06525	7.0
97.10191	5.3
97.77443	2.0
98.20742	2.3
105.07032	81.8
107.04925	2.6
107.08591	51.7
109.06514	11.6
109.10152	47.2
111.08078	3.7
117.07031	10.9
119.04893	3.0
119.06156	2.1
119.08584	79.4
121.06493	15.9
121.10147	39.3
123.08083	16.6
123.11738	10.0
125.09685	2.5
127.11217	3.3
128.06186	4.0
129.06984	8.8
131.08577	28.4
133.06526	2.9
133.10146	34.4
135.08095	12.8
135.11699	22.5
137.05986	2.5
137.09619	9.1
137.13261	7.6
139.11159	4.9
141.06950	4.4
142.07774	13.0
143.08553	18.3
144.09334	2.4
145.06570	2.9
145.10129	57.3
147.08029	14.3
147.11690	34.5
149.09618	9.7
149.13266	19.7
151.07550	18.8
153.12830	2.2
155.08554	8.6
156.09346	7.4
157.10124	23.4
159.08052	4.2
159.11694	32.7
161.09633	7.7
161.13235	13.6
163.11223	5.3
163.14838	17.3
165.09093	17.8
167.08600	3.2
168.09311	5.0
169.10097	9.3
170.10933	2.3
171.11673	16.1
172.12541	2.6
173.09618	4.8
173.13277	18.8
175.11281	15.1
175.14827	17.4
177.09126	3.6
177.16373	8.3
179.14325	3.3
181.10147	5.2
181.15932	5.1
183.11708	15.0
185.13277	14.3
187.11246	3.1
187.14822	36.3
189.12764	7.5
189.16394	18.5
191.14381	2.2
191.17947	7.2
193.09952	2.8
195.11766	4.2
196.12485	2.5
197.13272	6.1
199.14832	8.9
201.12753	7.9
201.16371	24.4
203.14325	8.9
203.17950	8.5
207.11703	2.5
207.13838	6.2
207.17380	3.7
209.13257	4.4
209.15198	2.3
211.14888	8.0
213.16399	9.4
215.14357	2.5
215.17934	12.1
217.19434	3.3
219.17404	3.9
221.13347	2.0
221.15358	46.0
225.16306	3.2
227.17957	6.3
229.15958	5.1
229.19516	7.5
231.21034	3.2
233.19058	2.8
234.16199	7.1
239.18002	4.3
241.19576	6.9
243.21021	3.3
247.16809	2.5
253.19571	4.6
255.21123	10.7
257.22595	3.9
267.21060	4.2
269.22681	7.8
281.22693	2.9
283.24240	2.7
285.22211	3.5
286.19116	2.8
287.19949	5.5
312.21088	2.4
329.21326	2.3
350.20609	2.2
368.22095	3.0
386.22958	7.7
391.33746	13.4
409.27188	30.4
409.34625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44891	1.6
69.89645	8.9
87.35316	1.6
94.45940	1.9
98.21401	3.3
145.03505	3.5
145.83504	1.6
155.01941	2.6
172.07581	1.9
219.39449	1.8
292.01785	2.1
303.09369	2.3
334.37589	2.1
354.57687	1.9
387.76617	1.6
409.11139	100.0
410.11307	1.9
415.77408	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.8
70.71967	1.0
70.72326	1.2
85.02898	1.3
89.06017	1.0
93.07043	0.6
97.02879	1.2
98.97556	0.7
127.03930	0.7
156.08102	0.7
185.04204	10.9
185.05768	0.9
217.08777	0.7
246.04996	1.8
247.05823	6.0
277.47971	0.6
369.11115	0.7
409.11047	100.0
410.11322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
67.05508	0.4
69.03415	0.6
69.07063	0.5
69.47574	1.5
79.05484	0.4
81.03400	0.4
81.07033	0.6
83.08611	0.2
85.02901	0.6
91.05464	0.6
93.07047	0.7
95.08609	0.6
97.02862	0.3
97.06544	0.3
98.97572	0.5
105.07018	0.6
107.08578	0.6
108.08105	0.2
109.10131	0.3
119.08565	0.6
120.08913	0.2
121.10175	0.3
123.04445	0.9
124.07571	0.4
129.06975	0.3
131.08578	0.2
133.10172	0.3
136.03975	0.2
137.02408	0.2
138.09129	0.5
143.08546	0.3
145.06421	0.4
145.10057	0.9
146.10414	0.3
147.11693	0.4
155.08549	0.7
157.10175	0.2
159.11711	0.5
160.07431	0.2
161.05998	0.4
161.13255	0.3
167.07133	0.2
171.11664	0.2
172.07582	0.4
172.11171	0.4
173.09586	0.3
174.09067	0.2
175.06235	0.2
176.10666	0.3
180.07773	0.2
182.09624	0.3
182.13269	0.2
183.07993	0.4
185.08395	0.4
185.13268	0.2
188.07053	0.4
189.07848	1.4
189.16270	0.3
190.08640	0.3
190.12305	0.2
198.05424	0.2
200.07021	0.7
200.10722	1.7
202.16675	0.2
203.09428	0.5
213.07805	0.5
214.08601	0.4
216.06665	0.5
217.07343	0.5
218.08168	1.9
218.11763	0.4
228.10204	1.1
229.08571	0.3
230.08157	0.4
231.08875	1.5
246.11252	100.0
247.11542	1.6
312.59781	0.2
408.16379	1.6
408.33539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.31933	2.8
55.05511	18.8
57.07070	13.1
59.19300	2.5
67.05510	33.2
69.07070	53.5
69.76027	10.9
69.76430	5.4
71.08626	3.9
78.32048	2.9
79.05503	22.0
81.06570	4.5
81.07058	93.5
83.08626	25.2
84.57295	2.9
91.05508	15.5
93.07049	28.5
95.08035	5.6
95.08614	84.6
97.10191	9.6
105.07044	31.9
107.08599	42.2
109.10171	46.7
117.07042	4.4
119.08591	38.6
121.10150	37.7
123.11704	23.0
129.07018	3.7
131.08569	17.2
133.10139	24.3
135.11693	17.9
137.13293	10.5
143.08571	8.2
145.10164	18.4
147.11688	27.2
148.15028	2.5
149.13263	15.1
151.14842	3.1
151.57355	2.6
157.10162	12.6
159.11696	24.9
161.13228	14.6
163.14847	10.3
164.69731	3.0
169.10176	3.1
171.11745	9.3
173.13281	21.6
175.14865	12.2
177.16476	7.3
183.11760	4.5
185.13289	10.4
187.14877	11.8
189.16441	12.3
191.17949	6.3
199.14868	8.8
201.16443	13.3
203.17970	8.6
211.14890	7.6
213.16423	12.7
215.18057	9.0
217.19606	7.4
221.87604	2.8
227.17987	8.6
229.19580	14.7
239.18015	3.4
241.19478	8.0
243.21025	3.7
255.21153	8.0
257.22769	9.5
269.22778	6.7
283.24265	6.0
297.25748	5.4
323.27362	3.3
324.76782	3.1
325.28964	5.6
351.30484	6.1
389.34088	3.8
407.36832	100.0
408.37000	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03943	2.0
55.05509	13.5
57.07083	6.8
67.05508	20.0
69.07068	27.0
69.07449	1.6
69.51884	2.4
69.52290	9.1
71.08643	2.4
77.19757	1.4
79.05490	11.1
79.05872	1.3
81.07059	51.6
83.08623	11.0
91.05466	13.5
93.07049	31.1
94.07378	1.6
95.08605	69.0
97.10191	5.9
98.20731	2.5
105.07032	28.5
107.08593	40.8
109.10152	39.7
109.10892	1.9
111.08099	1.6
111.11722	2.2
117.07060	5.1
119.08582	36.5
121.10139	33.7
123.11710	20.6
128.06294	2.2
129.07034	4.7
131.08551	15.2
133.10132	24.5
135.11697	22.8
137.13245	14.6
143.08546	10.4
144.09222	1.6
145.10120	25.7
147.11699	23.8
147.12724	1.6
149.13255	20.8
151.14899	3.1
152.31287	1.5
155.08629	1.6
156.09406	1.7
157.10109	11.9
158.10899	3.2
159.11687	24.8
161.13264	17.3
163.14804	12.9
169.10172	5.5
171.11726	13.4
173.13274	18.1
175.14810	10.2
177.16484	5.8
183.11757	4.4
185.13239	13.9
186.14099	1.7
187.14810	15.8
189.16364	13.5
191.17946	16.6
197.13400	4.5
198.14081	1.5
199.14816	11.6
201.16383	19.3
203.17955	17.6
205.19653	4.4
209.13345	2.1
211.14825	3.2
213.16406	9.1
214.17099	1.7
215.17967	12.4
217.19559	11.6
225.16406	3.0
227.17947	7.6
229.19501	11.1
231.21271	2.4
239.17958	2.9
240.09854	1.4
241.19644	5.1
243.21236	4.4
253.19629	3.7
255.21088	9.8
257.22638	22.9
257.25027	2.1
267.21149	2.5
269.22635	14.5
271.24271	3.2
281.22720	2.6
283.24356	6.2
295.24350	3.2
297.25815	3.2
309.25797	2.0
323.27402	2.5
325.28964	2.4
337.29141	2.5
351.30554	3.3
364.31308	2.0
389.32001	1.4
407.37024	100.0
408.37384	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03945	2.7
55.01882	1.9
55.05518	15.8
57.07067	10.7
67.05506	32.1
69.07070	28.3
71.08631	6.5
72.04497	1.9
76.68600	1.3
79.05504	15.8
81.07059	69.2
83.04967	1.6
83.08616	13.0
85.10188	1.9
89.06079	3.4
91.05471	15.5
93.07051	33.5
93.07617	2.3
95.05006	1.9
95.08608	100.0
97.06571	2.1
97.10178	10.3
98.20572	3.1
105.07032	26.3
107.08604	39.3
109.06518	2.2
109.10159	48.3
111.08104	1.8
111.11745	4.6
113.00056	3.7
117.07053	4.4
117.66010	1.4
119.08579	36.1
121.10153	39.4
121.11019	2.4
123.11713	26.8
125.06013	1.9
128.06340	1.3
129.07042	3.0
131.08585	12.1
133.08635	2.2
133.10132	37.0
135.11694	23.4
137.13257	34.5
142.07774	1.6
143.08623	5.7
144.09352	1.9
145.10129	24.2
147.11691	17.2
149.13271	19.7
151.11180	2.5
151.14900	4.2
153.12726	1.6
157.10155	7.4
158.10893	1.9
159.11688	27.4
161.13275	18.9
163.14847	13.2
169.02722	2.4
169.10156	1.3
171.11685	6.4
173.13281	12.9
175.14836	14.9
177.16359	8.1
179.18027	2.7
183.11728	2.2
185.11891	1.8
185.13249	10.2
187.14815	20.5
189.16370	15.6
191.17949	9.6
193.19470	1.6
198.14024	2.0
199.14857	4.2
201.16400	12.6
203.17938	12.8
205.19467	6.4
211.14850	2.6
213.16486	5.6
215.17928	10.2
217.19495	10.5
219.21170	2.4
226.17154	1.6
227.17976	18.2
227.19753	1.6
229.19701	4.9
231.21159	3.4
241.19624	3.1
243.21112	2.2
245.22765	2.3
255.21097	6.5
257.22568	9.7
269.22784	6.0
271.24216	1.8
283.24368	4.7
297.25861	2.0
311.27365	1.8
323.27264	2.1
337.28955	1.6
371.33545	2.1
389.34320	6.6
407.36932	73.7
408.37354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01864	1.6
55.05516	15.1
57.06821	1.3
57.07079	23.1
60.30259	1.1
60.30571	1.2
61.25974	1.1
65.03949	1.7
67.05508	18.0
69.03130	1.2
69.03437	16.2
69.07067	25.7
71.08634	13.5
79.05493	13.1
81.07059	38.1
83.08621	13.8
85.10188	7.1
89.06033	2.0
91.05486	4.8
93.05663	1.1
93.07047	11.4
95.04975	7.2
95.08035	2.6
95.08611	32.4
97.06508	3.9
97.10181	7.7
105.07027	11.9
107.08591	14.4
109.06509	5.5
109.10162	19.5
111.11697	4.6
119.08594	12.8
121.06513	2.5
121.10159	10.3
123.04433	27.3
123.08060	5.4
123.11716	10.3
125.06009	10.6
125.13312	1.4
131.08546	3.1
133.10123	9.3
135.11705	8.2
137.05974	10.3
137.09651	7.4
137.13239	5.8
139.07581	5.1
141.05472	8.3
143.08530	1.4
145.10101	4.9
147.11693	8.0
149.09660	1.6
149.13240	7.5
151.07558	8.9
151.11208	7.1
151.14864	2.0
153.09142	3.6
157.10091	1.5
159.11688	4.0
161.09698	1.8
161.13280	6.0
163.11124	2.0
163.14816	3.7
165.09155	5.4
165.12756	4.8
167.10663	3.9
169.08644	1.3
171.11766	1.8
173.13191	3.1
175.11180	2.4
175.14766	6.6
177.16371	3.5
179.10638	5.8
181.12224	3.4
183.10294	1.5
185.13368	2.3
187.04831	1.2
187.14732	1.6
189.12672	1.4
189.16354	2.5
191.18022	1.9
193.12193	8.1
193.16000	1.7
195.13808	2.7
196.39157	1.2
197.11743	1.6
201.16408	1.2
203.17999	2.5
207.13744	1.5
213.16391	1.5
213.90022	1.2
215.18028	1.8
217.19536	2.6
221.15451	1.4
227.17914	1.8
229.19675	2.1
241.19603	2.5
245.22525	1.3
249.18518	1.6
263.20123	2.0
269.22488	1.8
277.21518	1.8
305.13425	1.4
305.24887	1.7
343.33728	3.2
351.29117	1.4
361.34674	6.4
371.33035	4.4
389.34149	48.9
407.35297	100.0
408.36087	2.5
428.23819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.4
55.01870	2.1
55.05514	21.4
57.07080	25.4
63.57443	1.2
67.05509	14.4
69.03405	2.2
69.06712	2.7
69.07073	39.8
69.52451	9.9
71.08633	14.4
73.28535	1.2
79.05491	9.9
81.07063	43.2
83.04983	3.5
83.08622	21.5
83.48635	1.3
84.60838	1.1
85.10180	5.9
91.05481	4.5
93.07042	15.6
95.04982	3.2
95.08610	41.0
95.09228	2.3
97.06509	1.2
97.10181	12.5
99.04461	75.5
105.07032	11.6
107.04962	1.4
107.08596	13.5
109.06535	6.7
109.10162	22.2
111.08080	2.2
111.11704	7.9
113.06030	3.7
117.06946	1.4
119.08591	12.1
121.06480	2.7
121.10149	11.3
123.08068	4.3
123.11716	12.3
125.05995	100.0
125.13256	2.7
131.08565	4.2
133.10129	11.4
135.08087	1.8
135.11690	8.3
137.06023	6.6
137.09607	2.8
137.13246	10.2
139.07556	3.4
143.08522	2.1
145.10126	7.3
147.08066	1.8
147.11685	11.0
149.09621	1.9
149.13245	5.8
151.07535	1.6
151.11165	2.1
151.14778	2.8
153.09056	2.2
157.10159	4.7
159.11691	4.9
159.47279	1.6
161.09598	3.1
161.13261	3.6
163.11220	2.5
163.14810	3.6
165.09177	3.3
165.12726	2.7
167.10725	1.9
169.02672	1.7
171.11691	3.0
173.13232	3.5
175.11217	6.4
175.14859	4.5
177.16443	2.6
179.10683	3.5
181.12224	2.6
185.13310	5.5
187.14871	3.2
189.12791	1.3
189.16380	2.9
191.14409	1.4
191.17891	2.5
193.12195	6.0
199.14856	1.6
201.16435	2.8
203.14240	1.3
203.17981	3.1
207.13879	2.0
213.16481	2.6
215.18010	3.3
217.19574	2.4
227.17937	1.9
229.19522	2.0
249.18713	1.6
251.88493	1.4
255.21120	3.1
257.22650	3.1
263.19977	2.4
265.22043	1.7
269.22797	3.0
278.29718	1.5
283.24185	2.1
317.28339	2.2
347.33099	3.1
361.34668	2.0
365.34036	4.9
371.33093	10.4
389.34161	83.4
390.34348	1.9
405.74423	1.2
407.36243	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
53.03942	2.6
55.01847	2.3
55.05510	12.9
57.06816	1.6
57.07077	23.1
58.24742	1.3
63.77075	1.5
67.05505	17.9
69.03437	13.7
69.06718	1.3
69.07072	20.3
70.16321	1.3
71.04990	2.5
71.08646	13.2
79.05493	9.1
81.06577	1.7
81.07059	34.4
83.04948	1.4
83.08618	10.9
85.10191	6.1
91.05500	3.9
93.07039	10.0
95.04968	5.8
95.08035	2.3
95.08606	29.1
97.06538	3.6
97.10161	9.1
98.21518	2.2
102.69637	1.3
105.07056	10.1
107.08582	14.8
109.06519	4.2
109.10171	14.0
111.11733	4.4
119.08562	8.3
121.06513	1.6
121.10157	9.9
123.04435	23.2
123.08049	5.2
123.11720	7.9
125.05977	9.3
131.08571	1.7
133.10152	6.6
135.11693	6.8
137.06003	6.8
137.09642	3.8
137.13268	3.4
139.07521	4.6
141.05487	6.3
143.07069	1.8
145.10155	1.9
146.10800	1.3
147.08058	1.6
147.11655	6.3
149.13280	4.4
151.07567	4.3
151.11168	4.9
153.09140	2.4
155.07063	1.7
159.11679	2.2
161.09610	1.9
161.13281	4.1
163.11255	1.6
165.09103	2.0
165.12730	2.4
167.10678	2.3
169.08591	1.7
173.13222	2.2
175.11189	2.2
175.14841	3.6
179.10664	2.6
179.14360	2.2
181.12213	2.5
189.16405	1.9
193.12260	3.9
193.15843	1.4
197.11746	2.0
207.13768	2.2
213.16594	1.9
217.19589	1.8
229.19463	1.5
231.20988	1.7
249.22214	1.9
251.20148	2.0
263.20236	2.1
267.19370	1.6
277.88895	1.4
281.21167	1.5
291.26889	1.7
307.26349	1.5
343.33548	3.0
361.34570	5.1
371.33179	5.0
389.34119	46.1
390.34286	1.8
407.35242	100.0
408.35538	2.8
413.11304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.07073	10.6
64.07398	2.2
65.03934	2.2
67.05503	29.6
69.07070	10.3
71.04984	3.7
71.08630	8.9
79.05503	3.2
81.07051	12.1
83.08615	8.4
85.10169	4.0
91.05468	2.2
93.07040	6.5
95.04987	12.3
95.08595	15.6
97.06596	1.9
97.10159	7.2
99.04456	8.4
105.07038	5.1
107.08604	6.5
109.06519	2.0
109.10187	12.8
111.11731	2.3
113.05993	4.1
119.08585	5.4
121.10137	4.3
123.04442	14.7
123.11694	5.7
123.40984	1.9
125.05999	10.2
133.10121	4.2
135.11700	2.1
139.07588	3.7
141.04364	4.8
141.05467	100.0
147.11705	4.4
149.13254	3.0
151.11244	2.4
151.14978	2.0
159.11671	2.5
161.13242	4.0
163.14771	2.6
189.16342	2.5
203.18002	2.9
215.18060	3.2
230.21259	2.0
271.24045	2.0
323.66595	2.1
326.10788	1.9
389.34213	11.5
407.35309	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05513	7.7
57.07068	2.9
62.46440	1.4
67.05503	18.3
68.31222	1.4
69.04362	1.2
69.07069	12.5
79.05486	16.3
81.07058	41.1
82.34521	1.2
83.08625	4.5
91.05477	20.6
93.07046	32.8
93.44067	1.4
95.04954	1.7
95.08610	56.8
97.06551	2.3
97.10172	3.0
98.20645	2.3
99.08133	1.3
105.07034	62.3
107.08598	41.3
109.06535	2.7
109.10164	22.3
111.08088	4.6
117.06996	8.8
119.08590	45.2
119.09435	2.8
121.10136	29.3
123.11702	8.4
125.09646	2.1
128.06262	1.8
129.06990	3.4
130.07794	2.4
131.08580	27.4
133.10139	29.7
135.11697	14.9
137.13281	2.0
142.07782	3.4
143.08546	12.7
144.09320	3.1
145.10123	52.6
147.10486	2.1
147.11688	45.5
149.13258	28.1
155.08525	4.0
156.09340	2.9
157.10132	15.0
158.10857	2.1
159.11694	30.8
161.13260	20.9
163.11119	1.8
163.14827	13.8
165.12773	1.9
169.10147	6.8
171.11705	11.7
172.12370	1.6
173.13274	25.3
175.14827	18.3
177.16399	21.6
181.10078	2.9
183.11723	6.5
185.13263	12.5
187.14835	44.9
189.09088	1.3
189.12773	1.9
189.16364	15.9
193.92274	1.3
195.11702	2.4
197.13271	6.6
199.14799	15.7
201.16389	52.0
203.14377	2.1
203.17955	17.9
205.15887	13.4
205.19499	1.4
207.17490	2.2
209.13298	2.7
211.14815	7.8
213.16400	11.0
215.14339	1.4
215.17981	8.1
217.15804	2.6
217.19496	1.9
219.17496	3.1
223.14909	3.4
225.16364	7.7
227.17926	8.4
229.19562	7.0
231.17424	2.5
233.18967	4.1
237.16357	2.1
239.17908	6.9
241.19559	4.8
253.19627	7.0
255.21182	3.0
265.19504	2.1
267.21060	5.4
279.21158	2.2
293.22638	1.8
295.24225	1.5
307.24374	1.9
311.23694	2.5
335.27344	2.1
337.25073	1.7
347.27591	1.7
349.28998	5.6
389.31888	11.4
407.33099	100.0
408.33432	3.2
408.38351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.9
57.07061	2.7
67.05508	15.3
67.37141	1.4
69.07060	14.1
71.12138	1.3
71.12490	3.3
79.05493	11.9
81.06587	2.0
81.07058	38.1
83.08609	4.5
91.05485	15.2
93.07043	30.5
95.04971	2.8
95.08601	56.6
97.06528	2.0
97.10152	2.6
99.08079	2.7
105.07026	47.7
107.08595	42.7
109.06523	2.1
109.10150	28.8
111.08051	4.5
115.05474	1.5
117.07010	7.2
119.08573	45.5
121.10136	33.9
123.11697	9.2
129.07002	5.6
130.07794	1.9
131.08562	25.8
133.10130	26.7
135.11678	14.8
137.09552	1.7
137.13274	2.3
143.08572	11.4
144.09300	2.5
145.10115	43.3
147.11687	35.9
149.13251	23.5
149.14368	2.6
153.07028	1.6
155.08556	5.2
156.09326	3.0
157.10115	14.6
158.10934	4.2
159.11693	32.1
161.13257	18.3
163.14799	13.0
164.06429	1.4
169.10170	7.7
170.10954	2.4
171.11687	16.7
173.11768	1.7
173.13258	30.5
174.13994	1.6
175.14813	16.7
177.16396	20.0
181.10065	1.5
183.11691	9.2
185.13235	12.6
186.47429	1.4
187.14822	35.2
189.16367	12.8
191.17935	4.0
195.11603	2.0
197.13237	5.6
199.14810	15.3
201.16371	39.7
203.17987	12.1
205.15865	12.1
209.13300	3.5
211.14795	8.8
213.16318	9.4
215.17969	7.3
217.15880	2.9
217.19495	4.9
219.17442	2.2
223.14793	1.9
225.16367	5.5
227.17905	5.2
229.19537	5.3
231.17433	2.0
233.19032	2.9
237.16426	3.4
239.17834	8.0
241.19521	6.0
245.18930	2.2
251.17935	2.4
252.99045	1.8
253.19470	8.0
255.21054	3.7
263.17975	1.9
265.19461	1.7
267.21042	5.0
269.19299	1.6
269.22525	1.9
279.20975	3.3
293.22580	2.1
311.23651	2.0
333.26068	1.6
335.27200	3.9
347.27905	1.4
349.28854	6.0
389.31995	8.1
407.33020	100.0
408.33142	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49360	1.1
55.05504	6.5
57.07070	2.2
57.55239	1.1
67.05500	10.8
67.51097	1.1
69.07069	10.1
70.13374	4.1
79.05490	13.1
81.01920	1.0
81.07056	28.9
83.08624	4.3
91.05473	13.9
93.07047	27.3
95.04948	2.8
95.08607	44.2
97.10162	3.1
97.25591	1.3
105.04585	1.2
105.07030	49.8
107.08594	33.7
109.06533	1.7
109.10155	19.8
111.08069	3.9
117.07014	6.4
119.08582	42.2
121.06471	1.2
121.10137	25.9
123.11694	4.8
128.06230	2.2
129.06969	5.4
130.07721	1.8
131.08557	23.9
133.10123	22.8
133.11064	1.7
135.08105	1.7
135.11714	15.4
137.13248	1.9
141.06964	2.0
142.07771	3.1
143.08566	12.6
144.09326	2.1
145.10123	40.0
147.11681	33.1
149.13260	18.0
155.08519	5.1
156.09390	2.3
157.10115	13.5
158.10880	2.1
159.11711	24.7
161.13249	16.5
163.14836	8.1
163.63269	1.2
168.09386	1.5
169.10109	7.0
170.10835	2.0
171.11702	10.8
173.13257	22.7
175.14861	14.9
177.16393	14.0
179.14201	1.1
181.10175	2.2
182.10973	1.6
183.11707	7.1
184.12541	2.1
185.11617	1.4
185.13257	22.4
187.14812	31.2
189.16400	12.1
191.17990	6.7
195.11674	1.8
196.07585	1.2
196.12332	1.3
197.13280	6.5
199.14816	16.6
201.12650	8.3
201.16374	33.8
203.14346	7.9
203.17950	13.9
205.15831	6.7
207.17491	2.2
209.13278	3.0
211.14883	9.1
213.16379	8.6
215.14467	1.9
215.17912	5.9
217.15814	6.4
219.17455	1.7
223.14856	2.7
225.16373	5.3
227.17993	3.9
229.19554	4.4
231.17400	3.1
233.19057	2.5
237.16473	3.1
239.17998	5.6
241.19511	5.0
249.16313	1.2
251.17906	3.2
253.17157	1.2
253.19415	6.3
255.21150	3.4
257.18881	1.4
265.19547	2.7
267.21057	5.5
269.22556	1.9
279.21149	1.4
293.22821	1.9
307.24026	2.2
319.24219	2.4
349.28915	3.0
389.32068	11.9
407.33099	100.0
408.33646	2.8
428.92941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.90056	1.3
55.05510	13.3
55.41238	1.5
57.07064	3.5
57.70895	1.4
62.88076	1.3
65.03917	1.6
67.05507	13.4
69.07076	14.1
71.62234	1.8
79.05495	17.5
81.07059	42.0
81.53745	1.4
82.37471	1.2
83.08620	7.3
85.02901	1.4
88.36353	1.2
91.05475	20.8
93.07049	36.4
95.04980	3.3
95.08607	56.9
97.06523	3.2
97.10178	2.6
99.08092	2.3
103.05493	1.9
105.07033	65.6
107.08596	49.2
109.06537	3.3
109.10160	22.9
111.08100	4.2
117.07024	9.4
119.08582	49.8
120.08781	1.4
121.10149	30.9
122.10490	1.2
123.08054	2.2
123.11710	10.4
128.06223	2.3
129.07027	6.7
130.07793	2.7
131.08565	29.0
133.10138	31.3
135.02423	1.2
135.08067	1.9
135.11690	13.6
137.13269	2.6
141.07013	2.1
143.08563	13.4
144.09341	2.4
145.10123	56.7
145.11273	3.0
147.11690	40.1
149.09773	1.7
149.13257	26.0
151.11162	1.8
155.08574	4.0
156.09358	1.5
157.10135	13.4
158.10970	3.0
159.11693	33.3
161.09647	1.6
161.13263	20.6
163.14836	10.9
165.12749	1.4
167.07036	2.0
167.08519	1.5
169.10146	8.8
170.10912	3.1
171.11681	12.9
172.12378	2.1
173.13264	26.5
175.14818	16.6
177.12869	1.6
177.16389	15.5
181.10262	1.7
183.11722	5.9
184.12430	2.7
185.13260	14.5
187.11259	1.7
187.13129	2.6
187.14838	45.9
189.16380	15.3
191.17978	3.5
195.11699	3.1
197.13271	7.6
199.11229	1.3
199.14816	14.2
201.16377	51.4
201.18228	2.5
203.14302	3.1
203.17950	21.4
205.15874	11.1
205.19586	2.3
207.17485	1.6
209.13345	3.6
211.14839	8.5
212.15506	2.4
213.16367	13.1
215.14514	3.0
215.17972	9.8
215.19801	1.5
217.15863	2.8
217.19530	2.5
219.17439	1.6
223.14780	3.5
225.16359	6.8
227.17972	7.3
229.19539	9.0
231.17471	2.6
233.19099	2.5
237.16397	2.3
239.17989	4.6
241.19569	4.9
245.19133	1.3
251.18086	4.0
253.19576	7.4
255.21057	4.5
257.18976	1.8
265.19519	3.1
267.21127	5.5
268.17395	1.4
279.21188	1.6
291.21036	1.6
293.22589	2.5
319.23993	1.8
335.27386	3.5
337.25287	1.9
347.27454	1.9
348.79779	1.5
349.28983	5.1
389.31995	10.8
407.24457	2.6
407.33139	100.0
408.33484	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01863	9.8
55.05514	47.6
57.07079	34.0
67.05508	44.2
69.07067	82.6
71.08636	18.9
71.31205	8.4
79.05492	18.2
81.03434	4.5
81.07056	91.8
83.04983	5.4
83.08620	44.4
85.10216	6.3
89.06033	11.5
91.05469	13.9
93.07021	34.8
95.04932	9.4
95.08608	100.0
97.06511	9.6
97.10175	23.0
105.07026	26.5
107.04972	6.8
107.08605	34.9
109.06516	5.1
109.10155	58.2
111.08089	7.5
111.11717	17.6
119.08565	32.7
121.06580	5.1
121.10143	31.5
123.08046	10.2
123.11712	25.4
125.02354	24.8
125.05968	5.4
127.03900	20.2
131.08575	17.1
133.10130	27.6
135.08083	4.8
135.11688	17.1
137.09625	8.7
137.13293	12.3
139.03964	5.3
139.07562	7.4
143.08546	9.3
145.10101	31.5
147.08057	4.8
147.11697	16.4
149.09644	6.5
149.13257	19.2
151.11237	6.7
151.14835	6.2
153.05510	4.2
155.08525	5.0
157.10155	16.6
159.11690	20.2
161.13280	10.6
163.14806	12.1
169.08591	8.9
169.10081	7.0
171.11691	10.7
173.13350	11.6
175.07573	7.7
175.14850	11.2
177.12883	4.9
177.16389	7.2
181.08568	13.6
183.10185	12.7
183.11702	8.1
185.13257	12.9
187.14795	33.2
189.16377	11.2
191.18048	5.1
195.10242	6.4
199.14859	13.2
201.16400	10.4
203.14304	6.9
203.17972	4.9
207.10234	6.5
213.16469	7.9
215.17972	9.2
217.15961	8.8
219.17499	4.4
227.17928	6.6
233.15474	4.1
235.13264	4.8
241.19580	4.2
249.15001	5.8
251.16451	9.3
263.16507	11.3
343.29974	10.5
371.29453	19.4
389.30573	41.5
407.29443	9.1
407.33353	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03941	4.2
53.59461	1.6
55.01871	9.0
55.05505	3.7
58.32005	1.4
60.18784	1.4
62.38985	1.4
65.03932	7.1
67.05509	7.4
69.03434	2.7
69.07083	3.3
71.01350	4.0
71.61343	3.4
74.40990	1.3
77.03935	1.5
79.05499	15.1
81.07062	8.8
83.04967	2.0
84.95430	1.6
85.02882	4.1
91.02312	1.7
91.05476	26.1
93.03397	3.1
93.07051	8.1
94.04206	1.9
95.04967	14.2
95.08598	9.8
97.06526	2.8
103.05470	26.8
105.03407	11.1
105.07041	23.1
107.04956	72.2
107.08588	10.5
109.06519	9.5
109.10165	4.6
110.03682	4.8
111.04415	3.7
115.05452	7.3
117.07012	3.8
119.04941	8.3
119.08574	13.7
120.05733	6.8
121.06509	10.1
121.10162	6.5
122.03665	4.9
123.04443	8.7
123.08024	1.6
123.11718	2.8
125.05989	6.7
129.06981	2.0
131.04933	9.0
131.08556	5.5
133.02835	14.2
133.06494	13.4
133.10126	5.4
135.04459	2.4
135.08063	19.6
135.11711	1.9
136.05200	2.7
137.05972	45.1
137.07019	2.3
137.09695	1.5
138.03128	3.6
138.06767	3.0
139.03903	3.6
140.04689	5.6
142.02631	1.9
143.08546	3.3
145.06471	1.6
145.07588	1.8
145.10149	8.7
147.04378	9.3
147.11714	5.0
147.98776	1.5
148.05191	3.8
149.05989	9.7
149.13295	2.7
151.03793	3.0
151.07553	8.8
153.05440	21.5
153.25618	1.6
154.06213	3.9
155.07059	11.5
155.08154	2.1
157.10155	5.9
159.11649	7.2
161.05981	22.9
161.09636	9.3
161.13258	5.1
163.03891	2.2
163.07542	86.8
165.05501	33.2
166.06256	5.2
167.07050	12.5
171.06596	3.2
171.11664	3.9
173.13300	6.3
174.06775	2.8
175.03835	1.8
175.07506	3.6
175.14819	3.8
177.05507	8.6
177.16394	2.0
179.07051	6.9
180.07822	20.7
181.04962	100.0
181.08571	39.5
182.05672	2.0
182.09442	3.8
183.06552	4.6
183.11725	2.2
185.13271	5.4
187.14838	6.7
189.05498	4.6
189.09122	15.5
189.16356	3.7
193.04962	21.3
196.07291	2.3
197.08125	5.5
199.14844	3.9
201.16415	5.0
203.14319	1.9
203.18088	2.3
207.06549	18.1
207.10201	15.4
208.07312	49.8
209.08118	6.6
225.07573	42.3
226.08353	33.3
237.16483	1.6
239.17906	1.8
243.08875	1.8
276.32172	1.5
313.14325	1.7
341.13773	2.4
357.13342	4.4
359.14850	6.9
389.15817	3.4
389.32379	2.0
407.16687	2.6
407.29163	1.7
407.33197	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01862	2.2
55.05496	3.1
57.03424	1.2
57.07065	1.0
65.03916	0.9
67.05505	5.5
69.03424	1.2
69.07070	3.8
70.06560	0.8
70.30518	3.1
73.02914	0.9
75.45477	0.7
76.31789	0.6
77.03922	0.9
79.05489	10.2
81.07062	8.0
83.04958	0.8
83.08607	2.2
85.02919	1.1
91.05473	9.7
93.03366	0.7
93.07049	7.8
95.04951	2.4
95.08609	10.4
97.06576	0.8
98.97577	2.0
100.11263	0.9
103.05466	6.2
104.06260	1.3
105.07037	30.2
107.04955	6.0
107.08601	7.4
108.05746	1.2
109.06506	2.0
109.10155	5.1
111.04469	0.9
111.08075	1.5
115.05460	1.5
117.07030	2.3
118.04158	7.9
119.04974	3.4
119.08573	10.7
120.05672	1.9
121.06516	3.4
121.10159	6.2
122.07283	2.4
123.04476	1.2
123.08069	2.7
123.11700	1.7
124.05180	1.8
125.06020	1.1
125.09627	0.8
129.06972	1.1
131.04939	1.8
131.08572	5.6
133.02835	0.9
133.06494	21.3
133.10121	6.0
133.16789	0.7
134.07285	1.3
135.04398	3.4
135.08066	4.3
135.11713	3.5
137.05978	8.7
143.08539	3.6
145.10120	8.5
146.03659	1.3
147.04390	1.6
147.11722	4.5
148.05148	0.9
149.05995	3.9
149.09712	0.8
149.13248	4.9
150.06763	15.6
151.03911	12.0
151.04980	1.1
151.07573	4.9
151.76430	0.8
153.05464	1.6
155.08589	1.1
157.10123	4.0
159.11694	7.2
161.05978	3.6
161.13274	3.7
163.03798	0.8
163.07491	2.0
163.14882	1.5
165.05342	0.8
165.09122	15.4
167.07045	15.3
167.08427	1.5
168.07751	2.2
169.10156	2.2
171.11676	3.7
173.13248	5.7
175.07542	0.9
175.11168	0.8
175.14856	2.4
177.05438	1.2
177.09357	0.7
177.16405	3.1
178.06258	3.6
179.06984	1.8
181.04874	1.0
181.08556	1.1
183.11739	2.5
185.13281	4.9
187.14796	8.4
187.16241	1.0
189.16377	2.9
193.08606	59.6
194.08888	0.8
195.06500	0.9
196.07253	1.8
197.13280	2.0
199.14806	2.7
201.16371	5.3
203.14246	1.0
203.17978	1.8
205.08572	2.7
205.15887	2.2
211.09654	100.0
211.14825	2.1
212.10304	1.5
213.16403	2.4
215.14543	0.8
215.18034	1.9
217.16005	0.9
223.14821	1.0
225.16347	1.2
227.17978	1.8
229.15950	1.0
229.19603	0.9
237.16376	0.9
239.17986	1.2
241.19452	1.1
253.19464	1.7
267.21167	1.5
389.31873	2.2
407.33313	15.2
411.36517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1525
Annotation	Pamapimod
Peak:m/z	Relative Intensity
70.02770	1.1
70.03162	1.5
74.11324	0.4
98.97510	0.6
102.55525	0.4
104.48169	0.4
163.03909	1.0
275.11032	4.5
275.97339	0.8
301.11185	0.8
368.40018	0.5
407.15237	100.0
408.15533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01862	2.7
55.05489	1.0
65.03936	1.8
67.05505	2.3
69.39446	9.3
71.01334	1.1
72.60522	1.0
79.05491	9.7
81.07053	3.8
85.02901	1.0
85.51602	0.9
91.05479	9.3
93.03407	1.6
93.07059	3.8
95.04961	2.4
95.08598	2.9
95.99065	1.1
97.06522	1.8
102.98316	0.9
103.05479	10.2
105.03410	2.1
105.07041	25.3
107.04964	12.7
107.05687	1.5
107.08577	2.7
109.06503	4.4
109.10154	1.9
111.04461	1.3
115.05433	1.8
117.07035	2.2
118.04182	8.7
119.04967	4.8
119.08564	3.7
120.05721	3.2
121.06497	5.7
121.10121	2.2
123.04415	1.5
123.08033	1.9
124.05167	2.1
125.06013	1.8
131.04930	2.2
131.08569	1.5
133.02869	2.4
133.05478	1.4
133.06483	25.4
133.10120	2.6
134.07248	1.9
135.04430	5.3
135.08067	7.1
135.11705	1.3
137.05971	12.2
137.09688	1.0
138.76933	1.0
144.74728	0.9
145.10112	4.1
146.03632	1.4
147.04407	2.9
147.08041	0.9
147.11746	1.9
148.05220	1.4
149.05975	6.7
150.06760	14.9
151.03914	13.9
151.05048	0.9
151.07564	7.6
153.05447	4.4
155.07037	1.7
159.11688	2.4
161.05980	5.2
163.03914	1.6
163.07559	11.0
165.05542	7.2
165.09105	16.9
166.06229	1.8
167.07051	13.5
168.07838	2.0
171.11716	1.3
173.13301	1.9
177.05440	1.4
178.06235	4.5
179.07002	3.9
180.07796	2.8
181.04973	13.3
181.08595	6.0
185.13188	1.6
187.14848	2.1
189.09090	1.8
193.04938	2.1
193.08606	64.9
195.06448	1.2
196.07210	1.4
203.17915	1.0
205.08594	2.7
207.06529	1.6
208.07324	6.6
211.09653	100.0
212.10313	1.2
225.07507	5.3
226.08305	4.4
227.18373	1.2
389.32129	1.3
407.16599	1.2
407.33215	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.05511	24.7
56.96563	7.8
59.99826	6.8
62.48647	8.0
67.05510	11.3
69.03428	11.0
69.07063	9.3
69.33827	59.1
71.04984	15.9
79.05495	11.0
80.43266	7.6
81.07063	26.0
83.04971	20.1
83.08637	8.8
84.08117	8.4
85.02906	23.2
85.06570	7.8
91.05472	15.1
93.07027	15.3
95.04969	33.8
95.08588	15.6
97.02943	10.2
97.06561	8.6
98.21439	15.5
98.97585	22.2
99.04457	11.1
105.07037	23.5
107.08592	25.4
109.06475	8.7
109.10168	31.5
119.08591	13.1
121.10140	17.0
123.08174	7.8
131.08560	14.2
133.10120	42.4
135.08003	8.7
135.11694	8.7
147.11710	17.8
149.13339	9.8
151.11176	12.2
153.09114	19.0
167.14275	12.3
173.13274	45.9
175.14827	36.4
191.14348	31.1
209.15379	100.0
219.01779	9.9
244.09738	40.5
307.10724	22.8
406.17764	17.8
421.14026	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13043	4.4
50.87581	4.1
56.96554	7.2
57.71274	4.8
63.35865	4.4
69.03425	12.7
69.07053	6.4
70.04456	18.8
71.04984	15.1
80.30544	4.5
81.07041	8.5
85.02913	31.1
87.04449	6.2
91.05486	100.0
93.07037	16.4
95.08589	6.4
97.02912	6.9
98.97589	14.4
107.08600	6.2
110.97588	5.4
112.99128	7.6
113.46220	5.0
119.08578	7.2
121.10149	20.8
123.11723	37.7
126.36065	5.6
127.03983	4.8
132.55785	4.9
134.65959	5.1
147.11642	6.2
149.09663	13.5
149.13229	5.7
151.11183	16.2
161.01295	5.6
167.07059	43.5
167.10670	50.0
177.09117	6.0
191.14223	7.4
192.89220	4.9
209.11702	11.6
219.01787	8.1
227.16365	41.3
237.02721	7.6
276.01749	5.0
309.06268	8.1
318.35190	6.4
327.07510	15.3
334.11771	6.6
397.11584	10.0
406.18265	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	406.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
53.26621	3.1
55.01871	5.9
56.96567	8.2
57.03433	12.3
61.02926	9.5
66.48399	3.1
69.03432	24.6
69.83763	15.1
73.02920	11.2
79.05494	3.5
81.03417	8.6
82.99854	3.5
85.02909	57.6
87.04469	4.0
88.67477	3.1
91.05498	20.7
93.07053	11.3
95.04936	4.2
97.02894	24.2
98.97587	16.4
99.04456	4.8
101.00854	4.4
103.05488	15.8
105.03393	4.4
107.04964	8.3
109.02894	7.6
109.06528	10.8
112.05100	33.3
115.02340	4.3
117.03343	4.0
119.01894	8.1
119.04951	5.2
121.06514	55.0
127.03928	9.3
131.01904	6.8
131.04933	12.4
133.02798	35.3
134.03662	4.4
135.04356	3.5
137.05983	28.0
145.03314	3.7
145.04979	12.4
148.05168	4.5
149.05975	30.9
155.01932	5.9
156.02055	3.5
158.99603	5.6
159.04416	7.2
161.02985	5.4
163.04076	4.4
165.05470	39.6
167.07031	52.2
171.05112	4.4
173.02986	3.7
176.04785	4.8
177.04033	6.7
177.05484	84.9
182.05812	6.9
183.04976	5.5
185.06674	4.1
194.05861	3.5
197.08118	77.3
203.04059	5.0
209.08102	100.0
219.01791	9.9
221.05165	7.1
227.09190	31.3
235.06548	6.6
237.02809	7.1
272.06476	10.4
279.09286	9.3
280.09735	4.7
287.09042	4.6
304.09360	5.8
305.10843	11.6
406.15640	4.5
407.09561	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	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
56.96566	1.3
57.03434	1.6
61.02906	2.6
65.36295	1.0
66.56203	1.0
69.03428	10.0
69.62655	5.7
70.32697	0.9
71.04987	18.5
71.59855	0.8
71.88047	0.9
73.02910	1.5
81.03417	8.6
83.04967	1.1
85.02908	16.6
86.03210	1.9
89.06030	100.0
95.04937	1.1
97.02892	46.7
98.03286	1.0
98.21506	1.2
98.97552	2.3
99.04444	5.9
107.04957	1.3
109.02877	14.4
110.03187	1.5
110.72043	1.0
110.97558	0.9
111.04424	2.1
116.83786	1.0
123.04436	1.0
127.03923	18.1
128.04272	1.2
135.04384	2.7
135.05574	1.6
135.06537	17.4
137.05867	1.1
141.05452	2.3
142.05798	2.0
145.04956	22.1
163.03847	7.5
164.04207	2.0
167.07011	2.3
169.04967	6.0
170.05275	4.3
177.05434	1.1
197.08081	2.4
201.05461	1.4
215.09134	1.6
219.06520	1.1
219.08615	1.8
237.02722	1.2
243.08585	3.5
254.46355	1.0
261.09726	9.6
401.99960	1.2
406.17584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01862	1.8
55.05511	4.0
55.78088	0.5
57.06813	0.7
57.07074	8.7
67.05173	0.7
67.05504	10.8
67.06449	0.5
69.03405	0.8
69.07066	3.1
71.08635	6.8
79.05480	1.8
81.07047	1.6
83.01337	1.6
83.04995	0.8
83.08635	2.7
83.57942	0.5
85.06528	0.7
85.10180	3.0
91.05474	5.8
93.07045	33.4
95.04970	1.3
95.08605	19.4
97.06531	1.5
97.10171	1.0
105.04535	0.8
105.07043	0.8
107.08602	4.3
109.06509	0.5
109.10144	1.7
111.08080	18.2
121.06493	2.0
121.10145	2.0
123.08114	0.8
123.11715	1.0
123.39187	0.5
125.05988	0.7
125.09627	2.6
127.07559	2.2
131.08664	0.5
133.10193	0.7
135.08067	0.8
135.11723	0.9
135.63663	0.5
139.07539	17.1
149.09674	0.6
149.40663	0.5
151.11215	0.6
153.09096	9.0
157.08597	1.8
167.10661	6.2
169.25546	0.5
177.12810	0.6
181.12241	4.7
195.13782	4.4
209.15375	3.3
223.16899	3.0
230.86339	0.6
237.18491	1.1
251.20088	1.2
265.21600	1.3
279.23257	1.9
293.24780	1.0
321.27942	0.8
335.29590	0.7
387.36011	1.0
405.37289	100.0
406.37622	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	405.3515
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03928	2.6
55.05516	10.4
57.07079	5.3
67.05510	17.5
69.07069	17.3
71.08627	2.8
71.61468	0.9
71.61908	1.9
79.05489	10.4
81.03384	1.6
81.07055	33.9
83.08622	8.3
91.05475	11.1
93.07045	22.6
95.04949	2.0
95.08611	42.8
97.10165	4.0
103.05476	1.3
105.07022	17.7
107.08587	27.7
109.06447	1.4
109.10159	20.4
111.08117	2.0
111.11729	3.2
117.06996	2.9
119.08588	20.0
121.06558	1.5
121.10140	19.4
123.08070	1.6
123.11713	15.5
125.09697	1.2
125.13244	1.2
129.06993	2.5
131.08582	9.9
133.10136	18.9
135.08064	2.0
135.11696	12.7
137.13254	5.7
139.07578	1.9
143.08549	8.0
145.10114	15.5
147.11673	11.0
149.13252	15.7
151.11201	1.4
151.14822	2.9
155.08563	2.6
156.09352	2.0
157.10136	12.1
158.10916	1.3
159.11690	16.4
161.09616	1.3
161.13251	7.2
163.14813	6.4
167.08540	1.4
169.10127	7.7
170.10968	3.4
171.11707	13.1
173.13266	14.5
175.14787	7.8
177.16400	8.0
181.10139	1.6
182.10951	1.3
183.11690	9.2
185.13295	12.7
187.14827	10.7
189.16342	6.3
191.17998	1.4
195.11757	1.9
195.13541	1.4
196.12482	1.6
197.13252	8.9
199.14813	5.1
201.16406	5.6
203.17886	5.4
209.13275	2.9
210.14056	1.4
211.14822	7.4
213.12735	1.1
213.16373	5.6
215.17972	4.4
223.14886	1.8
224.15585	3.7
225.16417	5.5
227.17941	4.4
229.19534	8.5
231.21025	1.2
237.16476	2.7
239.17952	5.0
241.19534	1.9
243.21088	11.9
251.17958	2.1
252.18718	1.2
253.19475	3.3
255.21164	3.1
257.22711	2.5
267.21085	29.9
268.21295	1.2
269.22617	14.8
279.21048	1.5
281.22818	5.8
293.22726	1.6
295.24152	5.6
307.24048	3.6
309.25757	13.0
321.25760	5.0
335.27301	3.3
347.27499	1.8
349.29041	3.0
362.29657	2.0
363.30521	3.0
369.24124	1.7
387.24948	2.0
387.29388	2.2
405.26270	9.0
405.35242	100.0
406.35605	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	405.3368
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
51.52810	3.3
53.03954	3.5
55.01867	9.6
55.05516	29.9
57.07083	32.6
67.05509	56.0
69.06712	3.7
69.07072	44.4
69.51023	8.8
69.51457	15.2
71.04985	9.2
71.08628	14.8
79.05492	27.4
81.03414	8.3
81.07064	72.4
83.04973	5.4
83.08625	21.7
85.10184	5.8
91.05488	22.7
93.07047	44.4
95.04977	52.4
95.08611	69.3
97.06526	5.5
97.10163	10.0
105.07031	24.2
107.04990	6.3
107.08578	25.9
109.06514	12.3
109.10163	34.5
111.04447	3.9
111.08123	5.7
117.07033	8.9
119.08590	25.4
121.10161	29.9
123.08095	4.7
123.11727	18.8
125.05993	6.7
131.08553	12.5
133.10139	18.4
135.08022	5.9
135.11696	18.6
137.05969	7.2
137.09686	4.5
137.13268	7.7
139.07571	6.4
141.05411	4.1
141.12730	4.2
143.08554	7.2
145.10127	13.6
147.11684	10.9
149.13260	9.4
153.05551	4.0
157.10150	3.6
159.11703	13.9
161.13234	6.7
163.11131	3.9
163.24315	3.8
164.17369	3.0
165.12761	25.8
170.92223	3.8
171.11661	4.6
173.13289	5.6
175.14720	6.2
177.12637	4.3
179.14397	7.3
181.12283	4.0
185.13249	3.9
187.14769	4.3
189.16362	10.2
193.15897	12.3
201.16257	6.0
203.17972	4.0
209.15405	3.3
215.18033	4.0
217.19589	4.8
229.19479	3.4
247.20535	10.6
267.21182	5.3
275.23706	11.2
293.43451	3.4
359.33154	20.2
369.31488	7.4
377.34094	5.0
387.32605	58.6
405.33679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3364
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
55.05513	6.9
56.96553	5.7
57.03438	2.4
57.07070	3.4
67.05504	11.6
69.07067	13.1
69.12524	1.2
69.42547	9.8
71.04984	1.6
79.05495	15.1
81.03439	2.1
81.07056	43.6
83.04948	1.8
83.08607	6.2
85.02926	2.6
85.06534	2.3
91.05483	13.9
93.07046	30.4
95.04963	3.6
95.08611	47.4
95.09224	2.6
97.02886	2.3
97.06521	7.7
97.10182	4.7
98.97557	1.7
105.07030	27.8
107.08590	60.3
109.06524	1.9
109.10149	28.6
111.08089	5.9
111.11706	1.8
117.07043	2.8
119.08577	42.0
121.10139	37.3
123.08097	2.1
123.11710	26.2
125.09593	3.1
128.03273	1.3
131.08560	9.4
133.10136	31.1
135.08052	2.2
135.11694	38.7
137.13274	5.9
139.07549	1.4
139.11198	3.6
143.08533	2.3
145.10127	16.2
147.11687	28.7
149.13243	15.7
151.11186	3.8
153.12721	1.4
157.10127	4.6
158.28908	1.3
159.11707	18.0
161.13232	20.3
163.11177	2.7
163.14818	21.5
165.12750	28.8
171.11736	4.2
173.13272	10.2
175.14874	5.3
177.12708	1.7
177.16403	6.2
179.14305	12.6
183.11661	1.9
185.13232	1.8
187.14825	10.1
189.16373	49.9
191.17924	7.0
193.15846	2.4
197.13406	1.4
199.14819	4.3
201.12724	1.6
201.14806	1.3
201.16330	7.1
203.17938	8.4
207.17435	100.0
211.14839	2.2
213.16405	3.7
215.17909	10.3
221.19041	2.3
227.18051	2.2
229.19455	9.8
231.17673	1.6
233.19131	2.7
241.19550	1.8
243.21098	3.6
247.20680	4.1
255.21031	1.4
267.09079	4.2
285.10269	2.4
313.25528	1.4
325.28818	2.7
369.31516	23.2
387.32587	96.8
405.33676	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05505	6.4
57.03411	1.4
57.07077	1.4
67.05502	8.2
69.03427	1.1
69.07071	7.6
70.76716	0.7
71.04987	1.1
71.61144	1.0
79.05482	5.7
81.03418	0.8
81.07059	15.4
82.03777	0.7
83.04998	3.9
83.08620	4.4
85.02897	0.9
85.06523	1.2
91.05482	7.3
93.07047	12.6
95.04986	1.0
95.08038	1.3
95.08607	22.5
97.02888	2.9
97.06549	1.8
97.10175	1.1
103.05448	1.1
105.07024	14.3
107.08591	17.4
109.06467	1.4
109.10153	10.3
111.04457	1.8
111.08064	1.7
111.11757	0.7
115.31310	0.8
117.07012	3.7
119.04981	1.1
119.07773	1.5
119.08585	21.2
121.06501	1.0
121.10144	13.9
123.08078	1.4
123.11690	5.2
125.09621	0.9
127.03929	0.9
128.06194	1.1
129.05475	0.7
129.07005	2.8
130.07790	1.3
131.08563	6.7
133.10138	13.9
135.08075	1.0
135.11700	8.9
137.05956	2.1
137.09589	0.8
137.13239	3.2
139.11099	0.7
141.06934	1.8
142.07788	2.7
143.08572	9.4
144.09351	2.4
145.10129	22.8
147.04410	1.0
147.08022	1.3
147.11697	9.2
149.05968	0.8
149.13264	6.8
151.11220	1.3
151.14850	0.8
154.07756	1.4
155.08559	3.7
156.09344	4.1
157.10123	14.5
158.10841	1.2
159.08102	1.6
159.11693	31.5
160.11874	0.7
161.09660	0.8
161.13240	6.8
163.11197	3.8
163.14806	3.4
165.06972	0.8
167.07159	1.4
167.08568	2.3
167.14357	0.7
168.09357	1.7
169.10132	10.2
170.10835	1.6
171.11681	13.1
173.09616	1.0
173.13278	9.4
175.11269	0.8
175.14798	4.9
177.12741	2.4
177.16431	1.9
179.08508	1.6
180.09399	1.0
181.04984	1.1
181.10109	4.4
182.10895	2.0
183.11699	10.2
184.12495	1.1
185.13266	10.1
187.11194	1.7
187.14833	6.1
189.12772	0.9
189.16330	3.6
191.14290	1.9
191.17946	1.5
193.08493	1.1
193.10127	1.8
194.10872	2.1
195.11725	6.9
196.12430	1.7
197.13237	9.2
198.13904	1.0
199.11208	0.8
199.14801	8.3
201.12761	4.3
201.16396	6.5
203.14362	1.3
203.17929	1.7
205.19757	0.8
207.11725	2.3
208.12466	1.4
209.13275	5.8
210.13997	1.4
211.14803	7.0
213.12834	0.8
213.16351	5.6
215.14285	2.8
215.17947	4.6
217.15868	1.8
217.19478	1.3
219.11760	1.1
220.12413	1.1
221.13222	3.7
222.14145	0.9
223.14796	5.9
225.16409	3.4
227.14369	1.9
227.17915	4.3
229.15945	0.8
229.19493	1.9
231.17627	1.0
233.13191	1.7
233.19037	1.0
234.14136	1.0
235.14813	3.2
236.15590	1.1
237.16336	5.7
239.14392	1.5
239.17908	7.4
241.15775	1.4
241.19524	4.9
241.21625	0.9
243.17474	1.1
243.21207	0.9
248.15738	0.8
249.16460	2.4
251.17966	7.5
253.15857	3.2
253.19542	2.4
255.17496	1.7
255.21082	1.2
261.16348	1.4
262.17111	1.2
263.17944	3.0
265.19492	4.2
267.17422	2.4
267.21069	1.7
269.19064	1.6
269.22272	0.9
277.19565	2.1
279.21051	1.2
281.19061	1.3
281.22000	0.8
283.20596	1.3
289.19495	1.4
291.21112	1.6
293.22559	1.7
295.20792	0.9
298.87897	0.8
303.20987	1.0
305.22675	1.1
309.22046	1.6
311.23547	1.7
317.22803	1.3
319.24207	2.1
321.22079	0.8
331.24109	1.2
333.25803	1.3
335.23590	0.8
347.23697	0.8
347.27325	4.3
349.25391	1.6
361.29062	1.6
362.29587	2.7
363.26685	1.8
363.30856	1.4
387.30521	11.3
405.31528	100.0
406.31622	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	405.2274
Annotation	Memnoconol
Peak:m/z	Relative Intensity
55.05518	7.0
57.07075	3.7
67.05505	9.8
69.03442	1.2
69.07071	6.9
71.04977	1.0
71.08643	1.3
71.60976	1.5
79.05486	5.4
81.07053	11.9
83.04993	1.4
83.08629	1.6
91.05476	4.3
93.07044	11.9
95.05002	1.2
95.08607	13.8
97.10144	1.7
104.99271	1.1
105.07024	6.8
107.04947	1.0
107.08591	9.4
109.06535	1.3
109.10159	5.4
111.08076	2.7
111.78918	0.9
117.06963	2.3
119.08586	7.7
121.06540	1.8
121.10151	7.6
123.08053	1.0
123.11700	2.6
123.13872	0.9
129.07021	1.2
131.08589	4.5
133.10124	5.0
135.11711	4.2
137.06015	1.2
139.03923	3.7
139.07558	1.0
143.08571	2.5
144.09402	0.9
145.10074	5.1
147.11690	2.7
149.13214	1.4
151.03833	1.2
153.01834	22.8
154.17722	1.0
156.09444	0.9
157.10197	2.1
159.11723	4.3
161.13309	2.3
163.03918	2.9
163.14853	1.2
169.10182	2.2
171.11726	2.7
175.14867	2.2
179.03410	7.0
183.11667	1.9
185.09392	0.9
185.13194	2.3
185.34407	0.9
187.14809	2.9
189.16342	1.6
191.03343	1.5
192.04187	9.1
193.05046	2.6
195.11868	0.9
197.13216	2.3
199.14766	2.2
201.16350	1.0
205.04971	23.6
206.05568	1.0
207.11774	1.4
213.16426	3.2
219.06580	1.9
227.18053	1.1
229.19547	1.4
233.08086	1.2
239.17986	1.6
261.11346	1.1
265.43378	1.0
275.12723	2.3
279.21219	1.0
289.14343	2.2
303.15973	2.5
317.17392	2.1
359.22186	57.5
360.22742	1.6
369.27603	1.5
387.21667	100.0
387.29810	3.0
388.22083	3.1
405.22131	11.4
405.26883	5.0
405.31580	10.2
405.36942	4.5
406.22757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1543
Annotation	Nitidanin
Peak:m/z	Relative Intensity
51.70428	3.1
53.03930	4.5
55.01853	3.9
65.03938	9.0
66.04763	2.9
67.05498	9.2
69.03453	3.0
69.07074	5.9
71.05002	5.0
71.60943	4.4
79.05494	15.4
81.03445	5.2
81.07060	8.3
82.70316	2.7
83.29841	2.4
85.02902	11.3
91.05482	14.8
93.07066	10.3
94.04190	4.6
95.04969	10.0
95.08588	10.5
97.02870	4.5
97.06538	7.3
99.38954	2.8
103.05483	8.2
105.07037	34.9
106.86016	2.9
107.04963	28.5
107.08582	6.8
109.06508	5.9
109.10161	6.9
111.04466	4.3
115.05451	14.5
116.43733	2.8
117.07022	10.4
119.04943	7.8
119.08588	10.1
121.06503	6.6
121.10183	3.8
122.03687	8.3
123.04438	8.4
124.05199	7.7
125.05949	5.4
129.06998	11.5
130.02904	4.1
131.04910	5.2
131.08505	3.3
133.06496	20.7
133.10112	4.8
137.05983	78.0
142.02641	3.5
143.04941	7.0
143.08504	4.9
145.06477	15.8
145.10161	12.8
147.04468	4.4
147.08026	5.1
149.06007	5.4
150.06712	3.1
151.03923	23.9
151.05008	5.3
151.07504	6.5
152.04657	4.5
153.05482	4.5
157.06505	8.8
157.10168	6.0
159.11684	7.1
161.05971	34.3
165.05452	8.1
165.09137	6.1
167.07043	99.5
169.10133	3.3
170.08049	5.0
171.04437	5.5
171.06541	3.4
171.11740	3.5
172.05223	9.0
173.05952	10.7
173.13277	8.4
175.07562	7.8
177.05566	3.3
179.07069	16.0
180.04187	3.1
181.04965	100.0
181.08434	6.8
183.11655	3.9
185.13240	4.6
187.07555	5.5
189.05431	8.4
189.09055	6.8
190.06252	4.3
191.07033	7.3
193.08606	68.2
193.10245	5.9
195.06544	9.1
195.11710	3.5
199.14838	5.6
201.05501	6.1
203.07027	15.9
204.02927	45.8
205.08629	10.0
206.05853	3.5
207.10098	4.1
211.09656	4.4
213.05443	6.1
218.05722	10.6
221.08070	13.1
222.04008	28.8
225.07437	4.5
225.11290	4.2
231.03044	14.2
233.08095	75.0
234.06650	3.9
235.07373	3.4
235.09662	8.2
236.29364	3.6
239.07832	3.0
249.09100	4.5
251.09201	9.4
255.06627	4.0
259.09521	3.2
263.09164	6.9
277.08554	3.5
301.07196	15.8
316.09412	15.1
339.12292	3.0
341.13977	4.1
345.10883	3.8
355.09155	9.4
357.13388	10.1
369.13446	6.7
373.10303	18.3
375.14438	10.5
387.14438	78.1
405.15811	14.2
405.31479	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	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01884	2.0
57.03440	7.8
59.52920	0.9
61.02909	4.3
62.54501	0.9
64.55383	1.0
65.14976	0.9
68.99778	1.6
69.03433	14.3
70.85028	2.3
71.04996	2.2
73.02901	3.1
75.04468	1.6
78.17912	0.9
80.05585	0.9
81.03423	8.8
85.02903	54.8
87.04435	1.3
91.03961	2.9
97.02892	18.0
98.37899	0.9
99.04449	3.5
103.03923	2.2
109.02879	19.2
111.00800	5.2
111.04426	1.5
115.03918	1.3
115.15751	0.9
117.05470	3.0
126.03135	12.7
127.03919	13.4
129.05470	1.3
141.05461	40.1
145.04968	18.4
146.49583	0.9
154.02592	1.1
159.06482	1.5
163.05984	3.6
169.04962	100.0
211.06039	2.7
222.20595	0.9
225.46414	0.9
233.14563	1.3
239.57381	0.9
243.08534	1.6
270.67331	0.9
345.87384	1.0
405.17099	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	405.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.8
57.03417	1.6
61.02916	1.2
69.03405	3.1
70.47949	1.8
70.48347	1.7
71.05031	0.8
72.08138	3.2
73.02900	1.9
81.03409	1.0
85.02911	7.1
94.11696	0.7
96.28537	0.7
97.02909	3.9
98.97578	6.1
102.96862	1.7
109.02860	1.9
110.06030	1.1
110.97619	1.3
116.98581	1.9
119.01814	0.8
120.97919	0.8
127.03886	3.1
128.98573	1.1
134.99469	0.8
141.05428	2.1
143.00122	0.8
143.01894	2.2
144.95972	0.9
145.04930	1.1
158.99684	2.4
161.02899	2.0
163.03966	1.0
169.04988	4.8
177.00616	1.9
185.11252	0.9
191.03787	1.5
200.54585	0.7
203.03996	1.6
219.01733	2.1
221.05017	0.9
237.02699	1.1
272.06320	0.8
272.56555	2.3
273.06909	0.9
273.09561	5.8
307.04822	1.3
335.23700	0.8
405.13550	100.0
406.13864	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	405.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39964	1.3
55.01868	3.3
62.97689	0.9
67.05488	1.4
71.09362	1.7
71.09706	2.1
79.05475	1.3
81.07050	2.3
91.05453	1.5
93.07048	2.1
95.08591	1.6
99.08120	1.1
105.06998	2.0
107.08566	2.4
108.08123	2.5
109.10146	1.5
119.08564	2.6
121.10114	1.9
137.06001	2.3
143.08528	1.2
145.10072	2.1
159.11633	1.3
164.06972	1.1
167.07118	2.8
171.11641	1.4
181.04990	2.0
183.09200	2.1
185.13269	1.4
189.10283	3.4
193.08609	2.3
197.07086	9.3
197.10786	1.4
198.09317	2.2
199.08636	3.1
210.07829	2.3
211.08630	15.1
212.09398	1.6
213.10202	2.6
225.06618	16.6
225.10161	11.4
226.07339	3.1
227.08179	2.3
227.11844	1.9
229.09772	1.5
235.08505	1.2
239.04399	3.1
239.08170	33.8
240.08923	3.1
241.09778	1.7
243.07643	3.3
245.12865	34.0
245.68201	1.2
253.09740	21.1
255.07536	3.3
255.11333	5.3
257.05219	1.2
257.09222	10.5
263.08109	1.2
267.07635	15.9
269.09131	1.7
271.10764	13.0
273.08823	2.0
273.12045	2.0
275.10138	1.5
281.05887	1.4
281.09189	20.5
283.10751	2.4
285.08688	6.5
289.11823	7.8
293.09247	2.6
297.08765	2.1
299.06848	2.5
299.10254	38.2
301.11911	1.9
309.08704	31.6
311.10147	5.0
317.11304	3.9
327.09766	60.3
329.11404	6.6
331.09149	2.2
337.08121	2.9
345.10831	100.0
346.11093	2.5
355.09244	8.8
373.10318	71.0
374.10590	1.9
387.11578	6.1
405.12885	18.7
405.31448	2.6
419.44644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
55.05504	9.9
56.96592	4.2
64.27868	4.4
67.05481	8.5
69.07076	7.0
70.96065	12.6
79.05489	7.8
81.07043	13.3
83.04973	6.8
83.08626	5.0
85.02860	21.5
91.05458	14.0
93.07024	7.1
95.08599	13.1
97.06539	6.6
105.07027	14.2
107.08594	15.3
109.06524	17.1
109.10146	8.0
110.81519	4.0
111.08076	6.9
119.08569	14.6
121.10148	16.4
123.11714	19.5
131.08600	5.7
133.10118	9.4
135.11632	5.9
137.09607	30.9
145.10123	9.3
147.11688	21.0
149.09639	7.9
157.10045	5.4
159.11635	10.4
165.12753	100.0
167.07011	5.0
171.11618	7.4
173.13126	4.4
181.05052	8.3
182.05310	6.8
184.12112	5.5
188.15283	5.6
189.12761	23.0
201.16429	8.0
202.16722	6.3
207.13791	27.3
211.08603	6.0
225.06760	5.3
239.08084	13.3
245.12872	16.3
253.09700	14.4
265.26230	5.4
267.07727	7.3
281.09256	12.1
289.11548	4.7
299.10229	14.9
309.08615	17.8
327.09683	31.5
329.11057	4.7
345.10861	36.4
373.10242	30.3
404.30386	46.2
405.31735	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	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03959	0.6
51.16956	0.6
56.96564	13.8
71.22721	0.9
71.23035	1.1
71.95249	3.3
84.06998	0.7
94.04187	1.7
95.08569	0.8
98.97579	100.0
114.99477	0.8
116.98613	49.3
122.03625	4.7
134.99670	14.5
137.05968	46.3
140.00215	3.7
158.01230	1.3
160.99153	1.1
179.00221	2.2
197.01212	2.0
198.02049	1.6
208.10129	1.2
211.02734	1.1
220.00417	2.8
224.09630	2.3
225.02884	0.8
226.01457	0.9
226.11142	22.4
226.13284	1.5
235.02769	71.9
238.01422	1.8
244.12187	6.3
253.03825	83.9
268.12296	4.1
271.04919	1.9
276.05414	10.3
280.12073	0.8
294.06808	0.7
305.63550	0.8
329.13080	1.6
344.15286	8.4
350.23703	0.9
362.16357	1.8
375.96289	0.8
383.64539	0.8
399.76581	0.8
404.17429	72.3
405.17789	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81936	2.2
54.03069	2.0
55.05512	2.3
59.04969	2.3
64.97749	2.3
65.29074	2.2
69.57133	14.4
73.02906	2.2
73.96764	1.8
79.05482	3.8
81.07080	3.0
85.02888	10.1
91.05464	5.6
93.07059	4.4
95.04968	2.1
95.08614	4.2
98.97599	6.4
105.07037	15.0
107.08577	14.3
109.06503	2.5
110.97588	1.9
116.06175	2.1
117.07039	2.3
119.08581	20.1
121.10145	10.7
123.08071	6.8
123.11697	8.1
124.67946	1.8
125.09653	3.5
127.84066	1.7
131.08560	9.2
133.10094	4.0
135.08061	27.0
135.11667	2.4
137.09659	2.7
143.08539	9.1
145.10141	7.2
147.08067	12.9
147.11687	17.9
149.09654	11.2
156.09354	21.2
159.11783	2.7
161.13258	4.8
163.11230	2.2
165.09071	3.9
165.12733	2.0
170.21826	2.1
171.11690	31.1
189.12733	30.5
207.13803	100.0
241.71640	2.1
242.08113	4.9
257.23932	1.8
278.07489	2.2
307.10547	2.9
405.17337	4.3
422.14163	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59002	2.4
56.96571	3.6
61.02931	3.2
69.03429	7.1
69.07056	2.9
69.67248	15.0
71.04988	2.9
72.08167	2.7
73.02921	4.4
73.22880	2.8
73.94707	2.2
81.03402	5.4
85.02913	21.2
86.03271	3.3
91.05488	19.9
95.04971	2.5
97.02894	8.6
98.20702	2.9
98.97553	5.8
99.04475	3.9
109.02873	3.8
116.98679	3.1
119.04941	22.6
126.05576	2.7
127.03952	5.9
128.98589	2.4
129.52504	2.4
145.04985	4.6
147.04410	22.3
153.13857	2.4
157.03926	2.6
158.11504	2.2
163.03871	2.1
173.06512	3.4
175.03914	42.7
179.07069	4.0
192.04144	11.3
205.61143	2.5
207.06537	100.0
223.85843	2.6
225.07582	39.0
302.37997	2.3
334.08286	3.5
369.60339	2.4
404.15994	12.5
404.20633	2.7
405.15100	19.0
408.29828	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.357
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
55.05500	1.8
56.95736	1.7
57.07072	8.1
65.03941	1.8
67.05500	1.8
69.03413	1.9
69.07074	1.8
71.08646	8.1
71.61473	1.9
79.05489	9.0
81.07041	5.2
83.04966	5.5
85.10149	5.1
91.05476	9.0
94.77937	1.5
95.04942	2.3
95.08622	3.4
107.99079	1.8
109.06519	30.4
125.05985	6.2
129.01845	3.3
137.05978	100.0
151.07532	18.8
155.07030	4.5
165.09148	10.8
179.10690	7.9
193.12267	6.1
197.31558	1.8
207.13773	4.8
235.16957	1.6
263.19980	2.0
277.21826	1.9
403.35715	96.4
404.35931	2.4
419.50122	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.0
59.76987	1.1
61.02915	1.7
62.37382	1.3
63.27226	1.1
65.03922	1.3
66.65859	0.9
66.97894	1.1
67.05481	1.2
69.03403	4.4
69.59226	8.4
70.06586	1.5
71.04977	2.8
73.02927	2.0
81.03410	2.7
81.07048	1.8
85.02907	16.9
86.06882	1.2
86.09699	2.4
91.05474	18.3
93.07037	1.1
95.08634	2.0
97.02873	4.8
98.97571	3.3
115.03923	1.2
116.06204	1.1
119.04108	1.4
119.04941	24.7
119.08533	1.4
123.11687	1.4
127.03888	3.7
137.05946	1.6
145.02808	1.7
145.04961	5.5
147.04410	24.8
157.03981	1.5
164.04665	2.2
175.03908	45.3
179.07050	2.7
179.52478	1.1
189.12753	1.7
192.04207	13.1
203.04156	1.1
206.11642	1.9
207.06526	100.0
207.13780	3.8
208.06947	1.4
225.05461	2.1
225.07591	31.2
226.07870	1.1
237.02837	1.1
257.09613	1.8
404.14847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.357
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01867	2.4
55.05512	15.5
57.03423	4.3
57.07074	11.7
67.05503	18.1
69.06718	1.9
69.07065	26.7
71.08633	6.4
71.20820	2.5
79.05484	3.4
79.77457	1.0
81.07056	7.2
83.08614	18.0
83.50768	1.2
84.22378	1.0
84.26617	1.1
85.10162	3.5
86.47813	1.0
89.71074	1.0
91.05481	9.8
93.07043	48.3
95.04953	3.5
95.08604	31.6
97.06539	1.7
97.10171	10.5
105.07023	4.3
107.08604	8.8
109.06509	3.2
109.10144	4.9
111.08072	23.4
111.11710	2.9
115.35058	1.3
119.08565	4.2
121.06494	2.6
121.10152	3.5
123.08076	7.9
123.11705	2.6
125.09623	3.3
127.07525	3.9
129.01828	1.7
133.10136	5.2
135.08022	2.3
135.11661	1.5
137.09602	4.6
137.13309	1.4
139.07536	30.9
145.10098	1.4
147.11707	2.6
151.11172	8.2
153.09109	21.7
157.08603	2.7
161.09489	1.6
161.13223	2.2
163.11125	1.4
165.09116	5.6
165.12779	2.3
167.10670	9.6
173.59904	1.2
175.11359	1.1
179.10657	9.3
181.12221	10.6
189.12740	2.7
193.12247	3.4
195.13791	14.0
203.18088	1.2
207.13770	20.4
209.15370	4.4
221.15399	10.0
223.16931	2.3
235.16876	2.2
237.18468	2.0
251.20067	2.5
265.21667	4.9
272.55429	1.2
277.21628	4.2
279.23038	2.5
291.23212	1.2
293.24725	1.3
294.56808	1.1
307.26355	2.1
321.27985	3.2
347.29333	1.8
367.34003	1.3
385.34625	2.1
403.35690	100.0
404.36270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3571
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
53.03947	3.5
53.05235	0.9
55.01870	2.6
55.05253	1.3
55.05513	19.7
57.03427	1.6
57.07081	9.8
65.03913	1.0
67.05506	17.5
69.06709	1.6
69.07072	25.3
69.24143	3.1
69.24567	6.2
71.08622	4.8
71.64731	0.9
79.05487	5.1
79.74124	0.9
81.07058	7.8
83.04981	1.4
83.08624	22.1
85.10155	1.3
89.77141	1.0
91.05483	11.3
93.07047	54.0
95.04964	4.0
95.08607	32.7
97.06544	1.3
97.10176	6.0
102.73584	0.8
105.04487	1.4
105.07041	3.6
107.08595	7.0
109.06527	3.0
109.10187	4.9
111.08085	24.3
111.11753	3.2
116.51942	0.9
119.08587	3.5
121.06548	5.0
121.10160	3.8
123.08096	3.8
123.11752	1.3
125.09667	2.3
127.07578	3.8
129.01859	1.4
133.10141	3.8
135.08098	1.8
135.11713	2.1
137.06107	1.6
137.09668	2.6
139.07539	27.8
142.89160	0.9
147.11710	2.0
149.09621	1.3
149.13304	1.2
151.11230	4.1
153.09109	18.1
157.08652	2.8
157.10017	1.5
159.11661	1.1
161.13304	1.6
163.11183	1.2
165.09126	2.3
165.12767	1.4
167.10690	9.4
179.10739	2.1
179.14265	1.1
181.12248	9.1
189.12689	1.7
193.12299	2.8
193.15900	0.9
195.13800	11.9
203.14272	0.9
207.13782	12.5
209.15402	4.4
221.15408	4.6
223.16980	2.2
235.17021	1.3
237.18565	2.1
249.18568	1.3
251.20076	2.3
258.96625	1.0
263.20010	1.9
265.21674	7.3
277.21680	4.2
279.23236	1.6
280.32819	1.0
291.23209	1.9
293.24722	1.0
307.26468	2.0
321.27988	3.1
337.45648	1.1
347.29556	1.5
385.30585	1.1
385.35114	1.9
403.35797	100.0
404.36157	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3568
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
51.18204	0.4
53.03938	2.1
54.93835	0.4
55.01868	2.3
55.05511	11.2
57.03419	1.4
57.07076	5.9
61.87856	0.4
65.03916	0.6
67.05503	15.7
69.03428	0.6
69.07069	22.2
69.07448	1.1
69.61259	1.8
69.61668	1.3
71.08643	3.6
79.01728	0.5
79.05488	3.2
79.07592	0.5
80.35376	0.5
81.03423	0.5
81.07061	5.9
83.04974	1.3
83.08619	10.9
85.06545	0.6
85.10177	2.4
91.05477	8.6
93.07046	42.6
95.04974	3.4
95.08607	26.8
97.06535	1.5
97.10167	5.7
105.04523	1.4
105.07009	2.4
107.08590	6.0
109.06538	1.5
109.10149	4.3
111.04452	0.4
111.08079	21.2
111.11726	2.3
119.08604	1.6
121.06514	3.3
121.10137	3.1
123.08092	1.8
123.11730	1.7
125.09668	1.8
125.13274	0.7
127.07562	3.2
128.08624	0.4
129.01851	0.7
131.08571	1.2
132.00380	0.5
132.70261	0.4
133.10139	2.2
135.08075	1.8
135.11674	1.8
137.05977	1.2
137.09634	1.3
137.13255	0.9
139.07535	21.9
139.11116	0.6
145.10187	1.0
147.11682	1.3
149.09662	1.1
149.13211	1.0
151.07605	0.6
151.11119	2.6
153.09113	13.3
153.10332	0.9
157.08629	2.5
157.10077	0.6
159.11745	0.7
161.13252	1.1
162.48944	0.5
163.11165	0.8
165.09129	1.6
165.12708	2.3
167.07094	1.6
167.10701	8.2
168.87761	0.5
173.13353	0.7
175.14749	0.6
179.10690	1.6
179.14351	1.0
181.12230	6.7
185.13297	0.6
187.14987	0.6
189.12833	0.7
191.14325	0.5
193.12300	1.4
193.15880	0.5
195.13809	7.5
195.15489	0.7
205.15947	0.4
207.13777	6.8
207.15448	0.7
209.15324	3.4
221.15346	2.3
223.17003	1.8
235.16847	0.7
237.18527	1.6
249.18518	0.8
251.20120	1.9
263.20087	0.9
265.21637	5.3
266.09149	0.5
277.21585	2.8
279.23215	1.8
291.23233	1.3
293.24911	0.7
307.26465	1.2
316.73157	0.4
318.71475	0.5
321.27963	1.9
333.27975	0.9
335.29544	1.0
347.29486	1.8
385.31104	1.6
403.35791	100.0
404.35986	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	403.3208
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
53.03936	2.1
53.25986	0.9
55.05506	6.9
57.03426	1.0
57.07072	3.9
67.05505	10.4
69.07069	10.0
69.94848	2.0
69.95244	2.1
71.05004	1.2
71.08645	0.9
71.82826	0.8
79.05484	8.5
81.07054	25.4
83.04987	1.1
83.08622	5.7
85.06548	1.3
91.05475	9.9
93.07050	20.0
95.04976	1.6
95.08607	43.4
97.06554	2.6
97.10168	3.8
98.21494	1.4
98.56119	0.9
105.07031	23.8
107.08591	36.5
109.06478	2.0
109.10159	23.3
111.08095	4.1
111.11718	1.7
113.06005	1.4
117.07044	2.8
119.08584	57.2
121.10142	34.8
123.08070	3.3
123.11710	12.4
131.08562	9.7
133.10130	40.4
135.08070	3.4
135.11696	30.1
137.09621	1.7
137.13245	4.5
139.11194	2.0
143.08568	2.9
144.09357	1.0
145.10124	23.6
147.11693	18.9
149.09648	2.2
149.13263	7.8
151.11217	3.2
153.12755	1.2
157.10127	6.1
159.11700	16.1
161.13266	19.1
163.11186	2.2
163.14825	13.7
165.12798	1.1
171.11688	5.8
173.13261	7.6
175.14856	6.9
177.12791	4.2
177.16400	5.1
179.14362	3.2
181.12239	4.4
183.11736	1.7
185.13289	3.9
187.14856	11.0
189.16385	29.2
191.14325	1.1
191.17941	14.8
193.12230	1.4
199.14772	4.9
201.16399	11.3
203.14244	1.0
203.17969	9.2
205.15817	2.3
207.17438	58.3
213.16408	5.2
215.17941	5.7
217.15860	1.2
217.19536	3.5
219.17474	1.7
221.19046	1.6
225.16437	1.5
227.17999	4.2
229.19666	2.6
231.17561	1.1
239.17844	1.3
241.19588	1.8
245.19067	1.3
253.19470	1.3
271.20731	1.3
275.20013	1.3
311.23605	1.1
323.27338	11.4
341.28345	7.0
349.28885	6.7
367.29968	21.4
385.31064	23.9
403.32111	100.0
404.32538	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	403.3208
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
55.05504	5.5
57.07071	3.3
67.05499	12.6
69.07066	9.2
71.05001	1.9
71.62115	2.5
79.05489	6.5
81.07059	15.6
83.04964	2.0
83.08633	4.7
91.05467	9.6
93.07053	23.3
95.04976	2.1
95.08607	25.3
95.09152	2.4
97.06535	4.1
97.10213	1.9
105.07030	24.3
107.08591	33.5
109.06493	3.0
109.10150	13.4
111.08084	1.8
117.07005	4.1
119.08589	18.2
121.10152	25.9
123.08044	1.7
123.11734	6.7
125.09639	1.5
129.07004	2.6
131.08580	5.1
133.10121	21.9
135.08037	2.6
135.11690	19.9
136.81851	1.6
137.13310	1.8
139.11206	4.0
143.08591	3.9
145.10110	16.0
147.11703	10.9
149.09648	4.8
149.13266	7.6
151.11205	3.4
157.10173	2.9
159.11722	10.7
161.13290	7.2
163.11183	29.9
163.14850	5.5
165.12775	20.5
171.11728	5.2
173.13263	6.5
175.14844	5.2
177.12743	7.8
177.16414	3.3
179.14378	3.3
183.11702	3.4
185.13277	2.7
187.14883	7.0
189.16374	8.3
191.14294	3.2
191.17944	7.7
195.13805	23.5
197.13359	2.4
197.15352	1.8
199.14879	3.0
201.16431	6.7
203.17972	3.1
209.13280	3.4
209.15527	2.2
213.16496	2.2
215.18039	2.4
223.17026	3.9
227.17953	2.3
233.18895	1.6
263.20160	2.0
265.19659	2.7
297.70239	1.8
367.29956	14.9
385.31088	62.6
403.32230	100.0
404.32605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05512	2.9
65.03901	2.3
66.26637	1.8
67.05495	3.3
69.07064	3.8
70.61412	2.6
70.61765	4.8
74.56097	1.5
78.04686	2.3
79.05492	5.9
81.07042	5.4
83.08601	1.7
91.05464	5.9
93.07049	4.9
95.04954	2.3
95.08585	5.7
103.05470	4.3
105.07036	16.1
107.04952	4.4
107.08588	3.9
109.10152	3.9
115.05491	2.8
118.27084	1.7
119.08556	6.6
121.06493	3.1
121.10143	4.5
123.04440	4.8
123.11731	2.3
124.05187	1.8
127.03973	1.7
131.04893	3.8
131.08562	2.8
133.06477	11.1
133.10149	3.6
135.11684	2.0
137.06006	2.3
143.08585	2.5
145.10146	8.7
147.11720	2.2
149.05995	4.4
153.05402	4.8
157.10110	5.1
159.11691	6.8
161.05966	15.0
163.07410	1.7
167.07039	100.0
169.10172	2.6
169.31604	1.7
171.11662	2.5
171.49786	1.9
173.13173	2.8
175.14832	2.1
177.05486	2.2
179.06998	2.1
181.04964	6.6
181.08548	5.2
181.10063	2.0
187.14816	2.3
189.12695	1.7
193.08586	22.4
195.06418	2.1
197.13301	2.3
201.16368	6.1
209.07990	2.0
211.09537	2.0
213.16365	1.8
215.17917	1.9
249.07655	2.5
373.12936	2.4
375.14352	2.4
385.16000	2.2
385.29086	1.9
403.13840	7.5
403.25235	2.3
403.30023	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01856	1.0
55.05504	0.4
56.96558	0.4
57.07042	0.4
65.03932	0.6
67.05492	1.1
69.03393	0.5
69.07052	0.8
71.60926	0.4
78.04697	1.1
79.05481	3.3
81.03418	1.0
81.07043	1.9
83.04973	0.4
85.02875	1.0
85.06532	0.4
91.05473	2.1
93.07069	1.7
95.04968	1.2
95.08599	1.5
97.02924	0.4
97.06477	0.7
98.97591	0.8
103.05486	2.5
105.03358	0.4
105.07030	11.3
106.04173	1.0
107.04974	2.3
107.08591	1.0
109.02856	0.4
109.06532	0.7
109.10163	1.1
111.04393	0.5
115.05439	2.0
117.07000	0.5
118.04162	0.8
119.04933	0.6
119.08581	0.6
121.06498	1.4
121.10133	0.6
123.04421	3.8
123.08086	0.4
123.11665	0.6
124.05212	1.6
129.01863	0.5
131.04901	1.1
131.08606	0.7
132.05710	0.7
133.06487	8.5
133.10144	0.4
135.04428	0.5
135.11728	0.5
137.05974	1.6
138.03122	0.4
143.06033	1.0
145.06482	0.5
145.10144	0.7
147.11722	0.6
149.06023	2.1
149.13254	0.6
151.03929	1.1
151.07516	0.7
152.04700	1.3
153.05478	1.9
157.10056	0.4
159.04411	0.4
159.11700	0.8
160.05225	0.5
161.05988	6.1
163.03857	0.4
163.07552	0.6
165.05499	0.5
165.09195	0.5
166.06302	0.4
167.07036	100.0
168.07397	1.6
169.10208	0.4
172.67061	0.3
177.05417	1.2
178.06241	0.9
179.07042	0.6
181.04959	3.5
181.08594	2.9
190.78123	0.4
191.07008	0.8
193.06801	0.7
193.08597	14.7
195.11723	0.5
207.06474	0.5
208.07254	0.7
211.09596	2.9
219.06346	0.5
221.08066	0.5
223.07588	0.4
235.07448	0.5
244.71107	0.4
317.08936	0.4
334.33478	0.4
339.17477	0.4
343.11978	0.5
375.14789	0.4
403.13510	2.0
403.29758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1363
Annotation	Nobiletin
Peak:m/z	Relative Intensity
55.01859	2.5
62.06063	2.9
69.03410	6.2
69.48924	2.3
71.60082	3.0
84.08145	2.9
85.02919	11.9
87.04440	2.1
97.02888	3.8
127.03920	6.0
130.38947	1.9
143.01869	2.7
155.01886	2.4
161.02974	2.5
161.06601	2.9
173.02962	4.6
174.98395	2.7
175.04410	2.1
177.25714	2.2
186.98532	2.3
192.53326	2.5
198.98541	10.8
200.98340	4.6
203.07632	4.7
215.07611	5.8
216.99432	2.5
241.03221	3.8
245.05009	3.2
247.37212	2.2
301.01596	4.1
305.10788	7.0
403.08139	12.4
403.13583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
56.96564	0.7
61.02916	1.0
69.03438	3.5
69.62211	4.4
70.06555	1.0
73.02911	1.3
81.03426	1.1
85.02898	5.9
87.04459	0.9
94.99939	0.7
97.02907	3.2
98.97575	2.7
101.00864	3.4
103.02410	0.8
113.00876	3.6
115.02469	1.4
116.98603	1.3
119.01915	4.8
120.95368	0.7
124.99078	0.7
125.04459	0.7
127.02423	1.1
127.03894	1.8
131.01912	8.1
131.05573	1.1
133.03461	2.8
135.05048	1.2
136.06184	7.7
138.96408	1.4
142.24374	0.6
143.00140	1.1
143.01909	2.2
143.05524	3.1
145.03481	3.2
146.99619	0.8
149.06589	1.0
154.94205	1.0
155.01915	6.3
156.02660	0.8
156.97482	12.4
157.03455	2.0
159.05028	3.0
160.78032	0.7
161.01357	0.8
161.02966	1.8
161.06598	24.7
163.03966	1.2
167.02054	0.7
167.05531	1.2
173.01640	1.0
173.02928	5.3
173.06602	2.9
174.98540	8.6
175.04527	1.3
179.07639	5.0
180.97502	1.4
182.99040	1.3
185.06580	8.6
187.04622	0.8
187.08182	2.7
189.06075	2.4
196.02266	1.1
197.02966	0.8
197.06630	4.8
198.98537	6.0
199.08165	3.2
200.98328	1.3
202.06891	1.1
203.02409	0.8
203.03995	2.9
203.07645	24.8
205.01266	0.9
209.06602	2.0
211.02116	3.1
214.96321	0.7
215.01776	1.4
215.07643	30.6
215.53407	0.7
216.99829	0.7
217.09248	5.1
219.01804	1.4
221.05028	6.8
222.98717	1.4
223.02180	5.2
227.07686	3.0
229.03210	2.7
229.09201	1.6
234.98541	2.1
237.02844	0.9
239.07677	8.9
241.03239	51.1
242.03264	0.8
242.99472	1.0
245.05025	1.4
245.08710	3.7
252.99713	1.5
257.08716	2.2
259.04340	3.6
261.08289	1.0
266.55038	2.1
267.05423	0.8
269.08688	1.1
275.09830	1.9
283.00546	1.6
287.09763	2.1
298.98749	0.7
301.01703	3.0
301.07135	0.7
305.10800	42.9
323.06506	0.9
323.11932	4.8
354.44940	0.8
365.20880	0.7
403.08487	100.0
404.08835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3413
Annotation	Acanthovagasteroid A
Peak:m/z	Relative Intensity
52.02901	1.8
52.98151	1.7
53.03935	1.7
55.01858	4.5
55.05508	12.0
55.15668	1.8
55.21325	1.7
57.07062	7.1
67.05183	2.7
67.05498	16.0
67.63215	1.6
69.07069	20.7
71.04984	6.2
71.21220	3.2
74.84959	1.8
79.05505	10.8
81.07055	34.4
83.08620	14.5
83.99144	2.2
85.06549	3.1
91.05492	16.5
91.88334	1.7
93.07041	28.5
95.04976	2.5
95.08606	74.1
97.10162	3.4
99.08093	1.8
105.07030	32.5
107.08593	40.9
109.06487	2.1
109.10160	40.8
111.11711	5.3
113.09599	2.2
119.08582	40.1
121.10129	29.2
123.11702	13.6
127.11167	6.6
131.08585	9.0
133.10129	35.7
135.11694	41.5
137.13251	52.8
143.08554	3.8
145.10144	15.4
147.07945	3.0
147.11687	36.6
149.13216	9.6
151.14867	2.1
155.14297	15.1
157.10118	3.9
159.11678	15.7
161.13264	19.1
163.14742	4.3
165.91656	1.8
171.11719	3.5
173.13255	9.2
175.14815	9.0
177.16348	3.7
184.05867	1.7
185.13261	5.7
187.14864	11.0
189.16330	4.5
191.14415	2.5
191.17909	9.2
193.15901	15.4
199.14804	3.0
201.16348	16.8
203.17952	100.0
203.49477	1.7
204.18309	2.5
211.16928	6.0
213.16431	2.3
215.17947	7.6
217.19440	8.8
227.17947	6.0
229.19522	5.0
231.20961	1.9
241.19405	2.2
245.18851	3.0
261.35382	1.9
273.21979	2.3
281.22455	1.9
283.24121	5.4
287.23648	2.4
295.24252	2.1
305.24591	2.2
341.27820	1.9
365.31982	2.1
383.33066	57.1
401.34183	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3052
Annotation	CHEBI:68420
Peak:m/z	Relative Intensity
53.03944	1.6
55.05508	11.4
57.03411	1.3
57.07058	4.9
66.51549	1.3
66.83540	1.3
67.05505	12.6
69.06779	1.3
69.07071	13.7
70.06572	6.2
70.88582	3.5
71.04964	2.7
71.08633	1.9
72.47232	1.3
77.29875	1.4
79.05491	11.6
81.07053	23.6
83.08621	7.2
85.06527	2.1
86.09688	2.4
88.07628	11.9
89.07927	2.4
91.05470	8.7
91.38881	1.3
93.07034	24.9
95.04968	2.9
95.08038	2.0
95.08607	32.1
97.06542	2.9
97.10166	3.8
102.09161	5.8
103.05476	1.9
103.09550	1.8
105.06492	1.3
105.07034	14.8
107.08593	38.3
109.06483	4.9
109.10161	23.4
111.08087	6.8
117.07040	2.7
119.08589	22.2
121.06513	1.9
121.09321	2.0
121.10152	30.9
123.08028	5.2
123.11697	10.3
125.06052	1.6
131.08543	8.0
133.10124	15.4
135.03520	1.4
135.08083	7.0
135.11690	26.6
137.09586	4.2
137.13208	4.3
139.11093	2.1
142.47615	1.4
142.52711	1.4
143.08510	3.8
145.10109	14.3
147.11707	9.9
149.09610	21.7
149.13242	10.3
151.11180	7.5
151.14780	1.7
153.01785	1.6
153.12730	1.5
157.10095	5.6
159.08081	1.9
159.11711	9.5
161.09648	6.5
161.10741	1.4
161.13226	8.3
163.11198	7.1
163.14810	8.9
165.12732	3.5
169.10083	2.5
171.11668	2.5
173.09573	2.0
173.13246	4.7
175.14803	8.6
177.12723	5.7
177.16309	4.4
179.14261	3.8
181.12239	9.1
183.11682	2.9
185.13260	2.6
187.14853	6.5
189.16364	5.5
191.14314	2.4
191.17891	6.2
193.12263	14.1
193.15854	3.3
195.13753	2.0
197.13164	2.0
199.14796	3.7
201.16347	4.9
203.14301	1.8
203.17891	8.3
204.82533	1.5
207.13721	2.0
213.16325	1.5
215.17867	3.3
217.15790	1.9
217.19426	1.8
221.15259	3.5
223.14481	1.3
235.16737	1.9
243.35597	1.5
261.18225	1.9
287.20035	1.8
289.21719	1.8
296.91098	1.4
321.25757	1.9
339.34521	10.5
355.29715	2.6
365.28217	4.4
365.32275	1.8
373.23315	1.5
373.30881	2.4
383.25113	2.0
383.29376	24.4
383.33401	2.7
396.01178	1.6
401.30322	100.0
401.38373	38.0
402.30753	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	401.3052
Annotation	CHEBI:68420
Peak:m/z	Relative Intensity
50.36959	1.7
50.62957	2.2
51.88429	1.7
53.03956	2.4
55.01871	2.2
55.05508	16.5
57.07056	6.6
67.05509	24.7
69.07075	19.4
69.44508	1.9
71.04977	3.4
71.60661	2.2
73.05485	1.7
74.04842	1.7
79.05492	16.1
81.07060	53.0
83.08604	8.8
86.61555	1.9
91.05477	22.9
93.07047	47.5
95.08611	85.0
97.06536	5.4
97.10152	4.7
99.08084	2.2
103.26968	2.3
104.16150	1.8
105.07025	43.1
107.08600	71.2
109.06513	4.6
109.09442	2.8
109.10162	40.9
111.08054	5.7
115.05414	2.9
117.07001	6.5
119.07780	4.2
119.08582	66.2
121.06505	1.8
121.10146	68.6
123.08046	7.0
123.11722	17.4
125.09589	3.6
129.06953	4.6
131.08568	18.7
133.10130	66.3
135.08054	3.0
135.11694	45.7
137.09579	5.4
137.13278	9.7
139.11119	3.0
143.08545	6.1
145.10126	44.2
147.11693	62.0
149.09592	4.2
149.13271	17.9
151.11220	5.2
153.09128	3.4
153.12730	2.2
155.08589	2.2
155.10652	2.5
157.10126	11.8
158.10901	2.5
159.11691	51.8
161.09624	5.7
161.13272	32.7
162.42667	2.0
163.11206	5.6
163.14763	13.1
165.09000	2.6
165.12776	2.4
167.10701	3.7
169.10132	4.9
171.11659	7.1
173.13252	18.1
173.15543	1.9
175.11258	3.7
175.14835	20.5
177.09174	4.9
177.12747	3.3
177.16396	12.1
179.10747	13.8
179.14354	4.4
181.12173	4.5
183.11758	4.1
185.13251	5.3
187.14833	28.8
189.16380	100.0
191.14255	2.2
191.17943	8.0
191.73598	2.1
193.12227	14.5
193.15935	2.4
195.13737	2.8
197.13351	2.8
197.69200	2.1
199.14784	5.3
201.16393	29.8
202.16751	2.6
203.18021	11.5
205.12218	3.8
205.19495	3.3
207.13826	9.2
207.17412	12.9
209.11652	4.2
213.16399	4.0
215.17990	20.3
217.19460	2.9
221.15337	5.4
227.17906	2.3
229.19505	9.0
233.15408	3.1
235.16859	3.3
237.16313	2.3
247.16980	4.8
253.19562	2.3
259.17081	2.2
261.18649	3.8
267.20877	3.0
275.20309	2.2
301.21683	2.2
322.57394	2.0
323.27258	8.1
343.18118	2.2
347.27356	2.4
365.28491	4.3
383.29465	69.4
401.30664	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.05503	18.7
56.66676	3.2
57.07088	8.7
67.05517	38.1
69.03443	4.1
69.07069	24.2
69.31818	36.6
71.04980	14.6
71.08643	5.3
74.03767	3.4
79.05502	27.0
81.07052	52.1
83.05001	4.1
83.08615	9.1
91.05486	62.6
93.07046	63.7
95.04972	10.7
95.08611	43.7
97.02902	3.7
97.10154	4.7
105.07031	98.5
106.83295	3.3
107.08602	53.6
109.06512	57.7
109.10144	28.6
111.08087	5.5
115.05480	6.4
117.07015	23.3
119.07770	7.4
119.08585	96.7
121.06528	4.7
121.10154	38.2
123.08092	8.1
123.11681	7.4
128.06242	15.0
129.06998	25.8
130.07762	9.3
131.08572	70.1
132.09377	4.3
133.10130	100.0
135.08067	20.1
135.11693	36.4
137.05975	9.2
137.09587	6.7
141.07018	11.5
142.07811	30.5
143.08559	46.5
144.09335	10.7
145.10121	100.0
147.08051	10.7
147.11679	28.1
149.09595	8.6
149.13246	7.7
155.08537	21.3
156.09338	23.7
157.10120	68.3
158.10890	10.8
159.08098	5.7
159.11700	46.5
161.09633	7.4
161.13290	8.7
163.11221	4.1
165.07008	6.7
167.08513	8.3
168.09308	5.2
169.10149	25.0
170.10825	8.1
171.11671	36.3
172.12430	5.4
173.13251	42.0
175.14844	22.8
177.12840	4.0
179.08548	13.2
180.09261	6.8
180.87830	3.6
181.10135	16.3
182.10909	8.0
183.11633	21.9
185.13228	13.3
187.14809	40.6
189.16447	6.0
192.09332	5.4
193.10100	10.2
194.10895	12.7
195.11667	25.6
196.12447	6.5
197.13300	16.9
199.14838	17.4
201.12767	9.0
201.16344	5.7
206.10872	10.6
207.11682	9.6
208.12584	5.4
209.13226	26.9
211.14905	10.2
219.11754	5.1
220.12398	4.8
221.13263	13.8
223.14838	11.4
233.13182	3.6
235.14864	8.7
237.16341	11.2
247.43883	3.3
251.18033	5.3
265.19629	10.0
275.17734	3.9
277.19409	4.9
279.17575	3.8
309.15854	4.2
341.28378	4.6
343.23804	6.2
383.29346	10.2
400.78970	4.1
401.28168	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
64.39220	1.7
69.03428	3.9
70.72234	4.2
70.72564	3.7
72.08171	6.2
73.02944	2.5
79.05490	12.1
85.02921	7.7
86.09722	2.0
91.05487	6.0
95.03742	2.1
95.05000	3.7
97.02911	2.6
101.40092	2.4
107.04966	18.2
115.05455	3.6
116.06263	2.1
121.06513	2.0
123.04411	2.8
124.05235	4.7
127.03924	3.0
128.06180	2.7
129.07014	6.1
131.08580	6.7
141.06985	4.5
143.00157	2.1
144.05696	7.8
152.04759	2.0
156.05714	12.2
157.06552	3.4
158.07314	3.9
159.08034	12.2
161.05948	2.3
163.03914	3.3
167.03362	4.2
167.07047	53.6
169.06386	3.2
169.07695	4.3
170.07364	3.0
173.06000	2.4
174.06671	2.6
179.08592	2.6
181.04890	2.1
181.08659	2.1
186.06764	7.4
187.07542	7.0
189.05353	2.0
189.06982	2.8
190.07791	2.0
191.08548	3.6
200.08301	2.3
201.09084	4.1
202.06180	4.1
202.07846	5.0
203.08604	3.0
204.07753	3.2
205.06506	5.8
205.08627	10.1
207.06529	4.0
208.05208	7.5
208.08725	2.6
211.07552	2.8
212.08199	2.5
214.06343	3.0
215.08542	2.7
217.06731	3.2
217.08606	22.3
218.07324	5.3
219.08075	18.4
219.10036	4.8
220.08763	5.7
221.05956	5.0
229.08630	10.6
230.07288	2.0
231.08105	6.6
231.10181	3.9
232.08904	3.3
233.05998	2.3
233.09662	7.1
235.07585	7.0
236.08235	4.0
238.06252	3.6
245.09599	4.2
247.07553	15.8
247.09692	16.7
248.08211	12.5
249.05612	1.9
249.09134	4.1
250.06563	2.3
251.07263	2.0
251.10721	5.7
254.05576	3.9
255.02417	2.0
259.07642	3.7
261.05704	2.3
261.09149	5.8
262.10001	4.7
263.07300	5.2
263.10632	8.8
264.07901	12.7
265.08578	8.3
266.05862	2.8
267.06464	3.7
269.08160	6.3
271.09683	6.3
275.07053	6.9
276.07785	7.6
277.08600	7.1
279.06927	2.9
279.10181	13.7
282.08881	5.2
290.09384	6.9
291.06674	4.2
291.10016	19.8
292.07263	8.0
293.08133	12.6
296.10474	3.2
299.08994	3.2
305.08182	4.5
305.11725	2.6
307.06110	3.9
307.09540	17.3
308.10403	5.7
310.08310	5.0
311.12637	4.4
315.08624	26.2
319.09500	9.5
321.07428	6.5
321.11023	3.4
322.08441	2.8
323.12698	16.2
325.10910	3.5
330.10947	24.1
331.11792	8.3
336.09821	4.3
337.10687	8.9
339.12366	13.1
343.11792	8.0
351.12292	18.1
352.13138	4.5
353.10345	11.9
356.12512	5.7
368.12646	13.1
371.15088	4.1
383.14850	100.0
401.15793	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
69.63093	14.4
75.81833	2.2
78.04723	2.5
79.05492	15.9
81.07066	2.5
91.05461	7.3
95.04978	4.9
95.67667	2.2
103.05480	2.8
105.06994	2.1
107.04956	29.1
115.05457	6.6
116.06223	2.4
121.06550	2.2
123.04439	6.2
124.05204	4.6
128.06215	3.7
129.07024	6.4
131.08598	10.0
141.06973	6.4
144.05717	6.3
145.06502	7.0
152.04712	6.7
156.05704	17.3
157.06506	4.0
158.07298	2.2
159.08040	19.3
163.03885	3.7
167.07045	97.8
169.06509	2.9
173.06013	6.3
174.06720	2.2
179.07066	3.2
179.08516	2.5
181.06407	2.9
181.08600	4.8
184.05289	3.1
186.06763	3.3
187.07573	10.4
190.07729	3.4
191.06990	3.3
191.08635	4.4
193.08611	2.5
195.06479	4.6
202.06195	4.0
202.07875	3.8
203.08618	3.3
205.06676	4.2
205.08551	17.6
207.06497	6.1
208.05225	22.8
210.06792	4.7
211.07539	3.7
217.08585	38.6
218.07249	7.0
219.08055	14.3
219.10016	5.1
220.08855	9.3
221.05951	9.7
225.05536	2.4
229.08667	7.3
231.08055	8.6
231.10149	2.6
232.08984	2.6
233.06085	2.7
233.09691	3.1
234.06766	3.6
234.10291	3.0
235.07500	4.0
236.04640	10.0
238.06348	3.9
239.06960	4.7
245.09805	3.1
246.06862	3.5
247.07491	14.2
247.09700	19.5
248.08414	17.0
249.09079	4.7
251.10706	4.9
254.05812	11.5
255.06583	2.9
257.04395	2.1
260.08347	2.4
261.09134	6.1
262.09808	4.1
263.07117	5.2
263.10550	11.6
264.07816	8.1
265.08551	4.9
267.06549	7.7
268.03613	3.2
269.08118	25.8
271.09641	8.6
272.06802	2.9
273.05188	2.4
274.06277	2.5
275.07004	5.2
276.07809	8.8
277.08636	5.8
279.06711	2.1
279.10132	9.7
280.07434	3.9
281.08115	3.1
282.05453	4.2
282.08884	15.4
290.09286	5.5
291.06854	3.4
291.10083	16.4
292.07248	5.8
293.08096	8.0
295.09579	2.5
296.10309	2.3
299.09152	3.1
300.06320	2.5
301.07092	4.0
304.07324	3.3
305.08228	5.6
307.09595	16.4
308.10385	7.9
309.07639	3.3
309.11139	3.1
310.08374	9.5
311.12958	2.2
315.08636	86.6
319.09744	7.1
321.07544	6.8
321.11197	3.8
322.08347	3.6
323.12668	17.5
325.10736	3.6
328.09503	5.9
330.10968	100.0
331.11652	12.4
336.09775	5.7
337.10666	7.8
339.12299	6.9
343.11819	23.6
351.12268	30.7
352.12994	3.9
353.10101	8.6
356.12613	4.9
368.12665	11.0
368.66202	2.4
369.13095	2.6
371.14804	6.4
375.20300	2.2
383.14899	68.8
401.15921	16.2
401.21133	4.5
401.28720	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00964	10.8
79.05484	13.7
81.07034	4.1
91.05492	4.3
101.17227	4.0
105.07009	4.6
107.04948	30.8
107.08588	6.1
115.05383	4.9
123.04432	5.1
124.05212	5.6
127.94661	3.5
128.06158	4.3
129.07019	6.3
131.08557	6.4
141.06879	4.6
144.05687	9.9
145.06505	6.7
156.05707	14.9
157.06491	4.5
159.08029	12.8
163.03888	3.4
163.11191	4.3
165.06920	3.6
167.07043	100.0
173.05975	7.5
181.05011	8.1
187.07530	9.6
193.62312	3.4
194.12729	3.4
202.07867	3.5
203.08717	4.1
204.07764	3.9
205.06760	3.9
205.08612	14.5
207.06453	6.0
208.05188	22.4
209.07928	3.8
217.08594	33.0
218.07201	3.9
219.08017	14.8
219.10043	5.9
221.06012	9.1
229.08545	4.9
231.08047	9.9
231.10144	4.8
233.09592	5.3
234.06683	5.7
235.07373	4.2
236.04695	9.6
236.08463	5.6
245.09515	6.3
247.07483	13.1
247.09717	16.6
248.08426	16.2
251.10683	4.8
254.05611	8.3
259.07727	3.7
261.09137	8.1
262.09961	4.3
263.07254	4.3
263.10648	13.4
264.07758	5.9
265.08554	5.5
267.06622	10.7
269.03842	3.7
269.08069	21.3
271.09534	5.8
272.06769	5.5
275.07062	6.6
276.07770	10.3
277.08566	7.3
279.10141	7.2
282.05051	5.4
282.08884	13.2
290.09344	6.4
291.07193	4.1
291.10104	22.0
292.07257	5.2
293.08072	10.4
294.08850	4.0
299.09235	6.8
305.11505	4.9
306.08786	4.5
307.09686	14.7
308.10385	9.8
310.08368	5.9
315.08618	81.2
316.09000	5.1
319.09650	13.2
321.07611	7.5
322.08276	4.7
323.12747	20.4
330.10947	89.4
331.11664	13.2
336.09711	7.4
337.10745	7.1
339.12244	10.0
343.11670	21.9
351.12283	37.4
352.12909	6.3
353.10251	7.9
368.12326	9.9
369.13135	5.6
371.14816	4.8
383.14890	68.9
394.93674	3.8
401.15945	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02739	1.6
53.03930	2.9
53.56629	1.8
60.52902	1.9
65.03938	2.2
66.40735	1.7
67.05490	2.3
69.03426	2.4
71.61334	2.4
78.04680	2.2
79.05498	15.7
81.07047	5.2
85.02880	3.0
91.05483	8.5
93.07024	2.4
95.04975	4.3
95.08602	2.4
98.97606	3.6
105.07015	5.1
107.04958	26.6
109.10149	3.1
115.05492	2.5
116.06239	2.7
117.07078	2.4
119.08581	2.2
121.06503	2.3
121.10121	2.4
123.04465	2.9
124.05238	6.0
125.05941	2.1
128.06241	4.3
129.06989	7.3
131.04930	3.4
131.08539	8.9
132.05710	2.3
133.02797	2.4
133.06520	4.0
133.10132	2.2
137.05981	3.9
141.06966	4.4
144.05699	9.5
145.06509	5.0
147.08090	1.9
149.06036	2.8
151.03873	2.2
152.04689	4.5
153.05525	1.7
156.05701	15.8
157.06494	5.1
158.07236	2.9
159.08087	19.2
161.05992	5.5
163.03915	3.1
165.06944	3.2
167.07053	83.1
173.06058	3.6
175.07594	2.1
177.05455	2.6
179.07050	2.2
181.04970	10.3
181.08635	4.9
184.05257	3.2
186.06784	3.3
187.07574	12.8
190.06235	2.7
191.07114	1.9
191.08644	2.4
193.08521	1.9
194.07286	2.8
195.06543	4.1
202.06268	7.3
202.07883	2.3
202.90140	2.0
203.08624	3.1
205.08578	15.9
207.06584	5.8
208.05188	13.8
208.08778	2.0
209.06020	2.7
210.06699	3.4
217.08604	33.6
218.07327	4.2
219.08069	9.4
219.10132	4.8
220.08821	3.2
221.05962	5.9
221.07922	4.2
225.05348	2.9
229.08661	4.4
230.07265	2.7
231.08109	5.7
231.10196	3.3
233.05972	4.1
233.09595	7.0
234.06773	2.4
235.07623	3.5
236.04678	5.4
236.08261	3.3
237.09082	2.9
238.06223	2.6
240.04117	2.8
245.09599	2.9
246.06831	2.0
247.07771	14.7
247.09737	18.5
248.08171	12.6
249.05534	2.5
249.09056	2.9
250.06245	2.7
251.10611	2.4
254.05771	6.9
259.07339	3.0
260.08307	2.7
261.09198	5.8
262.06357	1.8
262.09851	4.5
263.07275	3.3
263.10617	9.1
264.07889	6.0
265.08624	5.7
266.05750	3.3
267.06598	4.7
268.03738	2.1
269.08093	17.0
271.09723	6.5
272.06824	3.0
275.07074	7.8
276.07925	7.2
277.08560	4.7
279.10202	10.0
281.08072	5.0
282.05719	3.0
282.08905	11.2
284.06604	2.5
287.09280	2.7
290.09375	4.3
290.73737	2.5
291.07254	3.3
291.10074	15.9
292.07364	2.9
292.10934	2.0
293.08142	11.3
294.08856	3.4
299.09024	5.3
301.07065	2.8
304.07288	2.1
305.08191	3.1
307.09625	10.7
308.10519	7.1
309.07568	2.2
310.08353	6.0
311.12820	3.2
315.08609	55.8
316.09543	2.4
318.08939	2.0
319.09589	10.3
320.10214	2.5
321.07608	4.8
322.08307	2.5
322.11893	2.2
323.09204	3.3
323.12723	17.1
328.09460	2.9
330.10992	63.1
331.11746	12.3
335.09360	2.7
336.10052	4.8
337.10574	9.3
339.12384	10.5
343.11765	17.2
350.11481	2.9
351.12271	25.9
352.13062	2.1
353.10303	4.8
356.12503	5.0
357.08771	3.5
368.12454	11.7
369.13306	3.9
371.14838	7.4
383.14911	62.5
401.11465	2.9
401.16016	15.5
401.28757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69593	3.4
55.01858	5.5
60.35680	4.3
69.03441	8.0
70.06591	10.3
70.56440	9.7
70.56796	7.8
70.86665	4.1
71.05008	6.5
72.60176	3.7
79.05497	18.6
81.07047	8.1
84.08164	3.9
85.02908	20.1
86.09712	4.2
91.05476	12.6
95.04998	5.5
98.97594	8.4
107.04961	32.7
107.08593	4.9
115.05435	10.0
124.05160	6.1
129.06963	5.1
131.08601	8.4
133.06427	4.3
144.05669	7.7
145.06590	5.0
156.05717	13.3
159.08063	18.4
167.07047	90.2
173.05980	9.8
177.05446	5.8
179.06963	5.3
181.04965	29.5
187.07581	8.9
202.06187	7.8
203.08638	6.5
205.06786	4.8
205.08614	23.5
207.06493	7.5
208.05220	24.4
210.06708	4.7
217.08594	24.3
218.07246	10.7
219.08125	19.5
220.08844	6.4
221.06071	6.4
229.08589	12.2
231.07999	9.9
233.09718	4.5
236.04639	5.8
236.08344	7.6
247.07515	20.0
247.09747	10.4
248.08315	18.3
249.05595	5.2
249.08928	8.5
259.07391	7.0
261.09064	6.6
262.10019	6.7
263.07117	10.9
263.10596	10.0
264.07864	14.1
265.08710	10.1
267.06519	4.9
269.08121	19.8
271.09747	10.9
275.07040	6.9
276.07782	10.4
277.08740	7.0
278.09229	5.3
279.10132	14.4
282.08795	18.0
290.09387	7.2
291.09979	21.4
292.07483	5.3
293.08060	15.1
296.14178	4.3
300.06305	5.3
303.06522	4.4
305.08054	6.5
307.06067	4.4
307.09616	13.4
308.10477	7.3
309.07443	4.7
310.08398	6.4
311.12820	6.6
315.08630	74.5
319.09592	6.8
323.12778	22.1
330.10995	74.3
331.11685	15.3
336.09814	4.8
337.10526	11.2
338.07843	5.3
339.12207	13.7
343.11639	20.8
351.12329	28.5
353.10181	11.5
368.12558	14.2
369.13275	4.7
371.14780	5.3
383.14871	100.0
401.18097	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09188	0.9
51.24015	0.9
55.86310	0.9
56.96554	6.6
57.03434	1.2
59.49122	0.8
61.02930	1.1
69.03415	4.0
69.94004	4.3
73.02904	1.7
78.05025	0.8
81.52071	1.0
85.00760	0.9
85.02897	4.6
87.04488	1.5
89.06009	3.1
97.02876	2.2
98.97586	62.7
107.04944	2.4
110.97581	2.1
116.98627	24.5
118.92075	1.5
123.00719	1.1
127.03876	1.3
128.98584	3.7
134.99661	5.9
136.93114	25.6
145.04932	1.3
145.88850	1.0
146.99663	1.4
154.94173	48.9
158.99657	34.4
159.03246	1.4
161.01195	1.2
163.03926	2.2
170.99648	1.3
172.95245	61.4
177.00711	27.6
189.00668	1.1
190.96301	18.0
195.01788	1.0
196.95207	13.6
197.07971	1.1
198.98553	1.5
201.04333	1.4
207.82666	1.0
214.96313	53.3
219.01764	10.4
220.55792	1.1
228.97957	1.4
229.63150	1.0
232.97337	8.5
237.02783	5.8
237.97871	2.3
238.99936	3.8
243.05382	1.9
256.97363	7.6
257.01013	1.7
274.98285	7.8
281.00995	1.8
298.98334	1.5
303.07642	4.2
316.99326	5.5
320.08023	1.3
321.08508	2.1
335.00082	2.4
401.05206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.9
65.37795	1.4
69.92618	7.1
71.95251	3.2
74.89169	1.4
90.09074	1.3
90.62222	1.4
98.97587	100.0
103.94583	1.7
116.98631	61.0
127.90083	1.4
129.65678	1.5
134.99655	20.6
140.00168	1.8
153.00766	2.4
172.94322	2.3
173.13333	1.5
183.35960	1.7
184.45314	1.4
216.98816	2.6
221.01669	1.6
234.99963	3.2
240.98788	5.1
256.96368	5.2
258.99799	73.3
260.00046	3.3
260.99976	2.2
261.03015	3.9
263.02710	3.0
274.97498	30.8
275.98022	3.5
276.97894	4.0
277.00842	70.0
278.01172	2.3
279.00821	2.8
283.00009	14.4
284.99738	2.0
292.98547	13.7
294.98428	2.1
297.99106	1.7
301.00952	15.8
302.01163	2.7
302.12979	1.6
303.00742	4.7
304.01205	1.7
316.98596	2.1
318.06448	1.9
382.99960	6.9
400.96967	2.5
401.01089	22.4
417.85648	1.8
418.97711	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	23.4
58.37876	2.4
58.64312	2.5
61.02926	9.9
67.05486	3.3
69.03432	31.2
69.33983	7.0
69.34396	18.9
71.01369	3.8
71.05003	5.2
72.08152	2.9
72.68510	2.2
73.02921	55.0
79.05507	3.0
81.03419	5.1
85.02908	100.0
86.27562	2.5
87.04488	4.6
91.03987	3.1
95.08612	6.8
97.02905	49.2
98.97578	4.1
99.04481	4.0
107.04916	2.7
109.02849	6.9
115.03936	25.9
118.60949	2.3
123.08070	4.2
127.03943	28.8
133.04951	7.8
145.04967	53.6
149.09642	4.1
163.06035	35.2
167.07034	7.9
190.11082	2.7
217.08801	3.2
223.06068	4.3
241.07251	3.0
251.14922	3.3
259.08005	4.6
269.07953	3.0
351.12170	4.1
383.14981	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05504	3.9
56.96558	4.6
57.03435	25.5
61.02921	10.4
67.05482	3.4
69.03426	35.9
69.50847	5.9
69.51247	16.9
70.06583	4.3
71.04995	6.4
71.08666	3.1
73.02547	3.8
73.02920	46.6
79.05476	6.6
81.03432	5.5
81.07069	3.5
83.05029	2.9
85.02905	100.0
86.09726	4.2
87.04470	4.0
91.03966	5.6
91.05477	15.0
93.07068	8.1
97.02905	49.2
98.97550	6.9
99.04466	5.6
100.07614	3.9
107.04938	5.2
107.08561	3.1
109.02882	9.1
109.06476	3.4
111.04463	3.4
115.03945	25.5
120.08092	3.8
121.10174	4.7
127.03913	36.0
133.04991	5.7
143.00159	3.7
145.04948	56.5
149.09685	3.0
152.11501	2.8
158.99692	3.6
163.06004	17.2
167.07077	11.3
181.04932	3.5
182.15469	3.4
210.14912	4.8
211.15176	4.4
217.08701	3.4
219.01877	5.4
219.07872	4.6
241.07164	3.8
245.01355	2.7
247.09706	3.4
251.14874	5.2
260.09070	13.2
264.07599	4.8
275.07220	3.3
293.08197	3.5
307.09515	4.0
308.10724	3.2
328.09918	3.4
330.10812	4.4
331.11804	3.4
339.12317	4.8
368.12189	6.2
374.90027	2.9
383.14767	20.3
400.16196	9.1
400.21234	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	400.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51177	0.2
55.01868	0.4
56.96552	0.5
57.03433	1.8
59.69622	0.2
61.02921	0.5
69.03426	3.8
70.82396	0.5
71.01335	0.4
71.04987	0.5
73.02912	1.8
81.03410	0.6
85.02901	3.7
89.03880	0.7
89.06014	1.1
93.75022	0.3
94.04052	0.7
97.02885	3.0
98.97547	1.8
99.04440	0.4
103.03923	0.3
107.04947	4.3
109.02912	0.4
110.97546	0.7
111.04447	0.4
115.03948	1.6
116.98579	0.7
117.03388	0.4
119.03545	1.1
121.02865	0.5
124.99126	0.3
127.03897	0.8
128.98560	0.5
129.05582	0.3
133.04974	0.9
135.04430	0.8
136.06183	100.0
137.04582	0.7
137.06581	0.4
143.00151	0.3
145.02847	0.5
145.04944	0.8
157.04919	0.3
158.99644	0.4
163.03903	3.5
164.04196	0.4
170.99646	0.5
171.88162	0.3
177.00591	0.4
187.06073	0.4
189.00784	0.3
191.03926	0.4
197.08173	0.3
201.00742	0.4
212.06049	0.4
219.01729	1.1
237.02808	1.0
257.06094	0.4
261.02808	0.4
268.10382	8.7
279.03903	0.3
309.22046	0.3
319.08667	0.5
355.30841	0.3
397.08264	0.3
400.14673	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	399.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.2
57.07085	9.2
67.05508	79.1
69.07063	33.8
71.04985	6.3
71.08642	6.3
78.53082	4.1
79.05496	27.3
81.07060	98.6
81.07514	7.6
83.04971	4.2
83.08625	18.2
85.06554	7.6
85.10165	4.1
91.05484	18.1
93.07053	35.1
95.08609	100.0
97.06554	7.4
97.10168	14.1
98.20711	9.9
101.06049	5.0
105.07034	17.4
107.08603	34.7
109.06523	7.9
109.10163	42.2
110.26540	4.5
117.07033	9.2
119.08561	22.3
121.10130	28.6
123.08072	6.5
123.11722	24.3
131.08574	11.6
133.10150	14.1
135.11708	24.5
137.06012	4.6
137.13280	13.2
145.10074	7.6
147.11656	18.2
149.13258	12.0
151.14804	6.7
153.12854	3.8
159.11703	10.5
161.13290	13.3
165.12852	5.2
173.13219	9.4
178.54562	4.3
179.14349	5.7
243.21115	12.2
261.22220	29.9
279.23175	82.4
297.24203	13.1
399.31003	64.1
402.96982	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	399.3258
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.42452	0.8
55.05501	4.1
57.07061	2.4
59.72569	1.0
67.05508	5.6
69.03432	1.5
69.07067	4.3
69.56039	6.7
79.05485	3.6
81.07057	15.5
83.08614	3.9
91.05494	3.8
93.07044	13.9
95.08038	1.7
95.08606	23.4
97.06526	1.7
97.10126	1.1
98.20745	2.1
105.07019	10.5
107.08598	21.1
109.06509	2.8
109.10146	12.5
117.06997	2.9
119.08582	14.7
121.06516	3.5
121.10144	17.2
123.11711	8.1
124.78690	1.1
131.08565	3.4
133.10130	8.6
135.08072	2.1
135.11690	18.2
137.13206	2.2
144.09332	1.8
145.10159	6.1
147.11691	11.8
149.13235	9.5
151.11057	1.7
157.10109	2.6
159.11690	16.0
161.13245	6.3
163.11134	1.2
163.14847	4.4
171.11659	1.6
173.13274	4.5
175.11116	2.1
175.14796	3.3
177.12749	21.5
177.16394	1.2
185.13287	1.4
187.14961	2.2
189.12718	1.2
189.16411	2.4
191.14304	6.0
191.17960	15.3
201.12891	1.7
201.16418	3.6
203.17972	5.3
205.19664	1.3
209.15312	2.3
215.17780	1.3
217.15834	1.0
217.19510	3.8
229.19466	2.0
237.78799	1.1
245.19052	2.7
271.20444	1.5
363.30539	2.2
381.31512	21.2
382.31415	1.2
399.32581	100.0
400.32935	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	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.9
56.96564	2.3
57.03445	2.6
57.07065	5.8
59.04982	2.2
67.05509	29.3
69.03433	1.7
69.07064	20.8
69.76416	2.3
71.04968	2.3
71.08623	2.7
79.05504	13.3
81.07060	48.4
83.04978	6.0
83.08619	10.2
85.02888	3.1
85.06527	4.0
88.38082	2.1
91.05482	14.5
93.07046	50.1
93.39458	2.1
95.08611	100.0
96.08900	2.5
97.06516	2.9
97.10134	5.5
99.04452	4.0
101.06010	7.8
105.07033	33.4
107.08592	68.0
109.06496	5.0
109.10154	41.8
111.11692	3.5
117.07006	4.7
119.08578	38.1
121.10148	48.4
123.08073	2.5
123.11730	13.6
127.07556	10.8
131.08574	11.3
133.10133	28.3
135.08015	5.8
135.11690	53.6
137.09688	1.8
137.13303	9.5
139.07556	2.1
143.08563	2.8
145.10170	10.1
147.11688	29.9
149.09579	2.7
149.13263	29.0
151.11180	3.2
153.09084	3.5
154.98392	2.3
157.10007	2.0
159.11732	15.2
161.09607	2.1
161.13232	15.9
163.11185	5.5
163.14798	11.7
166.70966	2.7
167.10612	3.2
171.11688	5.1
173.13255	9.8
175.11214	3.4
175.14793	8.4
177.12749	12.9
177.16389	5.3
181.12212	5.3
185.13304	2.7
187.14839	4.3
189.16400	11.4
191.14307	13.1
191.17941	60.5
193.12183	2.2
195.13841	14.6
201.16415	3.5
203.17928	16.9
205.19443	5.4
207.13768	5.8
209.15407	24.1
217.19534	18.5
229.07489	6.6
229.19281	2.1
229.30112	2.5
231.20993	2.6
235.17078	2.2
257.22635	4.4
259.24283	2.0
261.18512	2.8
339.30527	2.4
381.31406	5.5
399.27496	12.6
399.32492	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	399.2014
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03925	1.4
55.01838	2.5
55.05489	2.6
57.03411	3.0
59.20201	0.7
60.26350	0.7
61.02921	3.9
62.12765	0.7
62.38065	0.7
65.03916	0.8
67.05485	2.8
69.03424	12.5
69.07072	3.6
69.36479	2.9
69.36910	3.5
71.04984	2.2
71.08598	1.5
73.02894	2.6
77.19318	0.8
79.05489	5.5
81.03407	4.2
81.06635	1.0
81.07051	13.6
83.04949	1.1
85.02419	1.5
85.02901	23.4
85.06517	1.5
87.04450	2.7
91.05477	3.7
93.07052	5.5
95.04966	2.2
95.08603	7.1
97.02385	0.7
97.02899	8.0
97.06535	7.3
98.97574	0.9
99.04426	2.2
99.08055	1.4
101.02396	1.0
105.07027	4.7
107.04923	2.1
107.08595	7.5
109.02863	2.9
109.06499	2.9
109.10164	9.3
110.84492	0.7
111.04449	0.8
111.08044	1.0
117.06974	1.0
119.03930	0.7
119.08585	7.0
121.06491	2.2
121.10131	4.2
121.38411	0.7
123.08025	2.4
123.11735	6.6
125.05965	2.3
127.03941	3.8
127.07565	1.0
129.05476	0.9
129.06985	2.1
131.08539	4.5
133.10107	4.0
135.08051	1.9
135.11678	2.0
137.02249	0.9
137.05968	2.7
137.09552	1.8
139.07504	1.6
143.08551	1.6
145.04959	1.2
145.06477	1.4
145.10103	3.0
147.11655	5.0
149.09595	3.0
149.13242	2.4
151.07541	3.1
151.11142	1.6
153.01819	4.7
157.10193	0.7
159.11670	3.4
161.09613	3.4
161.13168	2.7
163.07573	1.3
163.11185	1.3
165.09122	1.0
167.07037	3.4
171.11685	1.0
173.05949	1.2
173.13248	1.3
177.12778	2.5
179.10635	2.5
179.14310	4.4
181.04883	1.8
183.08058	0.8
189.05524	1.2
189.12704	2.4
191.14293	1.7
201.05481	1.1
201.16475	1.0
207.13800	18.3
213.05492	1.3
217.04965	4.6
217.08545	0.9
219.13802	6.4
219.17366	1.9
229.04878	2.0
237.14845	100.0
237.18695	2.6
238.15158	1.8
245.04402	3.9
257.04276	1.3
269.04529	2.1
273.03873	3.9
285.03864	2.4
299.05511	5.6
299.08463	1.0
301.03445	7.8
303.05060	3.8
304.35849	0.8
307.09525	1.4
309.07455	0.9
313.03439	19.7
325.07010	1.6
327.08560	2.1
355.08124	16.1
367.11871	1.4
399.10736	53.6
399.20041	61.1
399.26862	4.1
400.10922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68533	0.9
56.96562	1.8
57.03427	1.0
62.44053	0.8
69.03424	2.5
71.08623	1.5
71.28196	1.0
71.28516	1.1
73.02939	0.9
85.02918	4.1
95.08609	0.9
97.02885	2.1
98.97573	4.7
101.06040	2.1
107.00137	0.9
107.04965	2.7
108.27135	0.8
109.02807	0.9
110.97575	1.1
111.04465	1.2
116.98612	1.8
127.03941	3.0
128.98596	1.2
129.05493	2.4
136.06200	9.1
143.00140	1.4
158.99692	1.2
163.03911	2.2
164.07040	1.0
166.57082	1.0
170.99670	1.1
177.00688	1.6
185.01108	1.0
198.98528	1.5
201.00655	1.3
219.01765	3.6
234.98885	1.1
235.49396	0.9
237.02852	1.8
399.12622	100.0
400.13177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35474	0.8
51.12144	0.9
55.01863	1.5
57.03431	1.3
57.07053	0.8
61.85227	0.9
67.01856	2.5
67.05495	1.2
68.99776	4.2
69.03413	3.0
69.07075	2.3
70.06580	1.2
70.47829	2.1
70.48203	1.4
79.05494	1.4
81.07053	1.6
83.04947	1.2
83.51215	1.0
85.02888	1.4
91.05505	0.9
93.07059	1.5
95.08568	1.0
97.06506	0.9
100.11230	1.1
103.05485	1.0
105.07005	1.4
107.04945	1.4
107.08578	2.1
109.06501	1.1
109.10127	1.2
111.00787	2.7
115.05443	1.1
119.08546	1.8
119.36079	0.8
121.06552	1.3
123.04473	1.9
129.06984	1.4
131.08568	1.0
135.11644	1.0
137.02362	1.0
137.09694	1.1
139.03870	1.9
143.08539	1.4
145.06506	1.2
145.10123	1.9
146.54797	1.0
147.08029	1.1
150.30481	1.0
153.01830	100.0
153.06960	4.3
155.03409	1.1
157.06442	1.9
160.05174	2.0
161.05966	5.0
161.13277	0.9
165.01855	4.9
167.07095	1.4
167.08496	1.0
171.04503	1.3
171.08029	1.9
173.05956	2.8
175.07542	2.7
179.03419	1.2
181.06439	3.0
183.08032	1.3
187.07515	2.5
189.05473	2.5
189.09077	1.7
193.05025	1.0
199.07521	3.5
200.04663	1.6
201.05475	4.2
201.09036	1.5
203.03392	3.7
203.06937	1.8
204.31941	1.0
211.07274	1.2
215.06987	2.3
216.04218	1.8
217.05013	2.3
217.08783	2.0
219.08141	1.3
219.17482	2.2
219.49599	1.0
225.87257	0.9
227.06987	6.6
229.04877	1.4
229.08565	4.9
231.06468	2.4
234.42145	1.1
237.05473	1.4
241.08540	1.0
242.05699	1.5
245.08070	2.9
253.04874	1.1
255.06540	12.0
259.06006	1.2
269.04410	2.3
269.08218	1.9
270.05194	2.6
271.05911	1.3
273.07629	16.2
279.06503	1.7
282.05209	1.6
285.04016	2.7
293.08148	1.5
295.06055	1.3
297.03995	2.3
297.07574	2.4
298.04639	4.7
299.05521	2.1
301.03406	1.1
302.04285	1.3
303.05029	1.3
306.05234	1.6
307.09616	1.3
309.07660	2.9
311.05457	4.0
311.09070	1.8
313.03290	3.9
313.06729	1.8
317.08212	1.4
325.06937	2.6
325.10669	1.4
326.04077	2.3
327.04895	5.2
334.04565	1.1
335.05594	1.5
335.09174	4.2
337.07065	2.9
339.08624	1.4
342.07471	1.5
353.10156	4.3
355.08115	38.4
363.08627	5.6
367.11322	1.3
381.09720	20.3
399.10675	35.2
399.27139	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1074
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
53.03940	1.0
55.01870	1.5
55.05505	1.9
56.96594	0.9
57.03448	1.4
67.01866	2.3
67.05502	0.9
67.98193	0.8
68.52328	0.7
68.99795	3.0
69.03439	3.2
69.07064	1.6
71.05012	0.9
71.61386	1.1
79.05502	2.9
81.03413	1.8
81.07051	2.1
83.05008	0.8
85.02897	2.0
91.05481	2.2
93.07101	1.6
95.04958	1.6
95.08616	2.1
97.02910	1.2
97.06530	3.3
98.97575	3.5
103.05441	1.3
103.64800	0.8
105.07028	2.6
107.04946	1.1
107.08601	1.4
109.10204	1.2
111.00793	2.8
115.05453	1.3
116.98589	0.9
117.07014	2.2
119.08578	1.9
121.06496	1.0
121.10156	1.5
123.04421	2.4
123.08088	0.7
123.11729	0.8
127.03925	1.5
128.06219	0.9
129.06972	1.5
131.04924	1.8
131.08586	1.4
133.06473	0.8
133.10118	1.4
137.02333	2.0
137.05960	2.8
139.03902	1.6
141.06943	1.0
142.07860	0.9
143.08530	2.0
145.06505	1.3
145.10133	1.8
147.04411	2.3
149.06015	0.9
151.07530	1.0
152.06183	0.9
153.01825	100.0
153.06973	2.8
155.03374	1.3
155.08577	0.9
157.06485	1.9
158.99646	1.3
159.08003	1.0
160.05197	2.5
161.06001	4.8
161.09587	0.8
163.03918	0.8
163.11168	1.3
165.01834	4.1
167.07063	2.4
171.02905	0.8
171.04446	1.1
171.08014	1.9
173.05991	5.6
175.03857	1.0
175.07515	4.1
176.10490	0.7
177.00703	2.3
177.05461	0.9
181.01370	1.4
181.05066	1.4
181.06459	3.2
183.08052	1.3
184.05193	1.1
185.05965	1.1
186.25754	0.7
187.03816	1.6
187.07564	1.8
189.05424	3.3
189.09096	2.1
195.08191	0.9
197.06087	0.9
199.07561	4.1
200.04710	1.0
201.05423	4.5
201.09061	2.0
201.16391	1.8
203.03416	2.9
203.07056	1.8
207.08096	0.8
211.07474	0.9
212.04875	0.9
213.05406	1.5
215.07042	1.4
217.04935	2.8
217.08617	2.6
219.07988	0.9
219.17453	4.9
227.07030	5.4
229.04895	2.0
229.08580	5.6
231.06511	2.5
237.05498	0.8
237.18274	0.8
241.08765	1.2
243.06412	1.0
245.04259	2.1
245.08067	3.3
251.07008	1.0
253.04907	1.6
255.04004	1.0
255.06541	12.3
257.04428	1.4
265.04901	1.0
267.06485	1.3
269.04462	3.4
269.08041	1.7
270.05173	2.2
271.05994	1.7
273.04346	1.4
273.07593	17.7
279.06625	1.7
279.10086	1.2
281.04813	1.3
281.07846	1.6
282.05222	2.1
283.06100	1.4
285.03882	2.7
292.07166	0.9
293.07822	1.0
295.05945	2.4
295.09372	1.0
297.03888	1.7
297.07465	1.4
298.04749	3.9
299.05515	3.7
301.03323	2.1
302.04242	1.7
303.05066	1.6
306.05127	2.8
306.08331	0.8
307.06186	1.2
307.09644	2.3
309.07544	2.6
310.04544	0.9
311.05377	4.3
311.09113	1.8
313.03323	8.9
313.06909	2.0
315.08633	0.9
317.08002	1.2
323.05325	1.0
324.06152	2.0
325.07007	3.3
325.10501	1.6
326.04181	2.6
327.05090	7.4
327.08612	1.4
334.04678	1.3
335.05603	1.6
335.09094	4.7
337.07062	3.5
339.04996	1.4
339.08670	0.8
348.06100	1.3
351.04984	1.0
353.10269	4.0
355.08109	40.7
363.08603	5.7
367.11575	1.1
369.12933	0.9
381.04825	1.4
381.09677	28.1
399.10568	51.4
399.27295	8.7
400.10873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45406	1.2
56.96567	10.1
68.32938	1.1
68.92744	1.3
69.03432	1.2
71.60020	1.9
71.62148	1.2
71.95257	3.2
85.40562	1.4
97.02902	6.1
98.97583	72.4
101.00862	4.4
106.70450	1.3
112.50367	1.3
113.03497	2.5
116.97803	2.3
116.98624	46.6
119.01924	21.7
120.01974	2.5
121.01653	2.9
131.51532	1.4
134.99670	21.1
137.02937	8.2
138.03040	1.6
139.02699	2.2
142.03491	5.6
153.00705	2.2
160.04601	1.4
172.94360	3.3
177.00972	9.5
178.01012	2.0
179.00662	3.9
190.95360	2.8
214.95419	3.0
219.01973	7.2
220.02039	3.2
221.01888	3.2
232.96547	6.3
238.95540	1.3
243.02029	1.6
245.01807	1.4
250.97517	2.9
256.96512	25.0
257.96771	1.9
258.96390	4.5
258.99722	6.7
260.00082	1.6
260.96222	1.6
261.03049	18.1
262.03241	6.7
263.02942	5.1
264.02975	2.1
272.94489	4.0
274.97507	100.0
276.97858	1.9
277.00864	5.7
282.99939	13.9
284.00156	1.6
284.99640	1.9
286.00031	1.8
292.98563	45.3
297.99066	4.0
301.01089	14.7
302.01041	1.3
303.00937	1.4
314.95786	1.6
321.07559	1.3
324.90839	1.7
352.90424	1.7
366.25143	2.4
366.59039	1.8
366.91467	4.9
367.25244	2.6
367.91135	1.4
368.59421	1.8
369.58804	1.9
370.91641	2.2
371.90158	1.6
372.58719	4.9
372.87613	2.7
372.92191	11.5
373.42786	4.1
373.58426	2.6
374.59100	2.4
379.24374	1.6
380.24237	1.4
380.96765	8.8
381.43423	3.4
381.59888	2.5
381.93253	19.7
382.26230	1.7
382.43286	5.7
382.93048	2.8
385.39240	2.4
387.93768	1.8
394.91302	4.2
398.97989	23.2
399.97644	1.9
410.89008	1.6
411.89368	2.7
417.92789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51883	2.1
54.87226	2.1
55.01870	6.6
57.03437	17.8
59.05000	2.3
61.02929	11.8
63.29558	1.8
69.03427	37.7
69.07072	30.5
71.01348	3.9
71.05000	3.1
71.12057	3.1
71.12399	3.3
73.02918	70.6
79.19711	2.1
81.03425	7.6
81.07037	2.5
85.02906	100.0
86.09694	3.3
87.04459	4.5
91.98260	2.1
93.07059	3.7
95.04962	2.5
95.08611	3.7
97.02894	62.3
98.97572	3.7
99.04435	7.5
103.03932	3.3
109.02878	9.3
109.06528	2.7
109.10156	3.5
111.08086	5.3
115.03925	29.1
123.11775	2.6
127.03910	29.5
133.04961	43.9
138.96481	2.3
145.04953	56.5
150.07631	2.4
151.11140	2.0
163.06027	30.0
183.10139	3.9
187.13315	5.9
188.05682	2.7
201.11194	4.7
211.97693	2.5
213.11125	4.1
217.07132	3.3
223.05957	10.5
231.12114	4.6
237.02715	2.3
241.06969	10.9
259.08212	21.2
266.08810	4.3
277.09186	5.2
295.10181	14.7
398.03067	4.5
398.14853	7.6
399.03961	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
57.03185	2.5
57.03438	43.1
60.54627	2.6
61.02930	15.7
64.07890	2.5
66.08239	2.4
69.03114	3.1
69.03424	33.6
69.07067	35.7
69.13289	2.3
71.04974	4.0
71.45390	3.5
71.45724	5.1
73.02915	88.1
81.03413	6.4
85.02902	100.0
91.03948	5.1
91.05431	2.9
93.07043	5.9
97.02890	60.9
98.97556	5.5
99.17580	2.6
107.04975	2.8
109.02881	8.5
111.08060	6.3
115.03933	47.1
123.08060	2.9
127.03908	29.6
133.04970	19.3
135.08025	3.0
145.04953	50.7
150.07574	3.6
163.06024	39.0
165.09120	2.5
177.09108	2.9
189.56429	2.7
195.10136	4.9
201.11165	2.9
213.11143	5.9
223.05917	6.2
241.07216	6.3
259.08154	9.0
260.45401	2.5
295.10172	7.4
350.99277	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	397.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05505	15.4
57.07065	7.2
67.05507	23.0
67.88926	1.9
69.07070	26.7
69.80437	8.4
69.80862	3.6
70.16576	1.7
71.08627	2.7
79.05501	16.2
81.07056	49.2
81.47260	1.7
83.08609	10.9
91.05476	26.0
93.07047	45.6
95.04957	3.4
95.08604	75.3
96.32917	2.0
97.06506	3.6
97.10172	6.7
98.20738	3.6
105.06367	3.9
105.07036	50.4
107.08595	84.8
109.06520	3.2
109.10155	39.2
111.08097	3.0
111.11697	3.3
117.07047	3.5
119.08583	100.0
121.10146	74.0
121.11020	4.0
123.08026	4.2
123.11704	21.7
125.09679	3.3
131.08565	15.2
133.10133	68.5
135.08070	2.2
135.11688	36.7
137.13263	5.0
143.08525	3.3
145.10112	21.3
147.11670	33.3
149.13260	25.9
151.11205	3.5
151.14780	2.1
155.08543	2.5
157.10147	6.4
159.11671	22.9
161.13263	34.7
163.11188	1.9
163.14822	25.4
169.10106	3.1
171.11696	7.0
173.13284	15.6
175.11250	4.4
175.14821	81.8
175.25514	1.8
177.16435	8.5
179.14270	4.4
183.11650	2.2
185.13268	3.7
187.11429	2.3
187.13301	1.9
187.14853	11.6
189.12726	1.9
189.16374	40.9
191.17931	27.3
199.14844	4.6
201.16412	8.2
203.18001	10.6
207.17413	4.8
211.14680	2.3
213.16356	4.0
215.18016	6.9
217.19539	9.6
222.75793	2.1
229.19521	7.1
231.21104	2.7
241.19548	3.4
243.21315	4.2
247.16998	1.9
257.22629	4.8
271.24258	3.8
322.85352	1.9
361.28381	2.0
379.29828	5.9
379.34015	16.9
397.30786	34.7
397.34695	91.8
398.35138	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	397.3464
Annotation	Ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03938	2.5
53.22937	1.4
55.05299	1.6
55.05509	18.4
57.03439	1.8
57.07058	6.2
63.06312	1.5
67.05166	2.2
67.05504	30.2
69.03436	2.0
69.07068	24.9
71.04983	2.7
71.08624	3.2
71.62047	1.7
79.05483	21.0
81.07053	56.9
83.08610	14.9
85.06538	2.8
85.10207	1.9
87.04418	2.2
89.15349	1.4
91.05475	21.6
93.07041	49.0
95.04922	2.0
95.08603	100.0
96.44437	1.4
97.06533	2.1
97.10149	12.6
105.07024	33.0
107.08586	65.8
109.06512	3.5
109.10150	38.0
111.08078	2.8
111.11702	2.5
113.09680	1.8
117.07043	7.1
119.08575	43.4
121.10136	56.0
122.13908	1.5
123.08080	1.6
123.11707	16.1
125.09653	9.1
129.06987	3.1
131.08560	14.1
133.10133	32.0
135.08020	1.9
135.11679	30.4
137.13260	6.5
143.08553	4.3
143.10733	2.0
145.10135	20.6
147.11690	43.4
149.09615	2.7
149.13263	26.4
151.11232	1.7
151.14828	2.5
157.10146	6.1
159.11674	18.4
161.13254	42.5
163.14807	55.1
165.12785	1.6
167.73553	1.4
171.11685	5.1
173.13257	21.6
175.14825	28.1
177.12750	2.0
177.16386	15.6
179.14297	5.3
181.15871	2.2
183.11607	1.6
185.13249	4.8
187.14813	27.5
189.16367	22.4
191.14241	4.5
191.17969	8.9
193.15787	3.0
199.14815	4.9
201.16364	11.7
203.17976	20.2
205.15721	2.2
207.17441	2.4
213.16367	8.0
215.17941	15.1
217.12267	2.1
217.19508	27.9
219.17455	2.1
219.20978	1.8
227.17870	4.0
229.19489	10.1
231.21104	6.6
233.19044	3.2
237.22195	2.6
241.19525	4.2
243.21078	17.2
245.22691	3.1
255.21004	4.4
257.22595	14.9
269.22626	3.7
273.22064	1.7
283.24170	13.2
287.98303	1.7
301.25327	7.1
308.40775	2.0
309.25751	4.0
327.26675	3.4
337.29108	1.8
379.33701	31.6
388.00095	2.0
397.30734	14.0
397.35098	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01877	3.2
55.05510	100.0
57.07063	4.2
59.93838	3.0
67.05166	3.8
67.05501	64.0
67.26658	3.1
69.07072	26.1
69.73683	5.5
69.74094	11.6
71.04994	4.0
77.21156	3.0
79.05486	20.7
81.07058	78.4
83.04949	5.6
83.08620	78.7
85.06516	6.3
85.55866	2.7
91.05453	12.8
93.07035	29.2
95.08600	72.7
97.06532	5.7
97.10163	12.7
98.20777	2.8
100.24515	2.8
105.07036	16.3
107.08591	30.6
109.06501	7.1
109.10166	41.5
111.08037	4.2
119.08584	17.6
121.10131	28.8
123.08047	3.4
123.11726	22.5
125.09626	6.5
131.08551	11.0
133.10097	17.8
135.11720	19.3
137.09677	3.1
137.13242	11.5
145.10097	9.0
147.11681	15.1
149.13257	8.8
151.11130	3.5
151.14784	3.5
159.11687	10.0
161.13281	8.7
163.14806	9.7
165.12755	7.4
173.13303	8.2
175.14819	7.8
177.16373	5.2
179.14281	4.5
185.13144	3.2
187.14833	6.2
189.16359	5.6
191.14301	3.4
201.16353	4.1
243.21011	10.3
261.22104	16.2
279.23190	81.2
294.81046	3.2
297.24219	14.5
378.39297	3.0
388.60022	3.2
397.27209	3.1
397.30890	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.01868	5.8
55.05507	37.2
56.96567	15.4
57.03430	4.2
57.07059	7.7
59.05011	3.7
60.04524	4.5
61.02917	9.4
65.03936	5.2
66.57336	3.2
67.05497	40.2
67.52106	2.9
69.03423	4.7
69.07071	38.6
71.04984	8.4
73.02898	3.9
79.05492	28.5
81.03400	9.4
81.07053	70.8
81.34135	3.0
83.04972	10.3
83.08631	17.4
85.02900	8.9
85.06529	6.5
91.03957	6.9
91.05483	32.5
91.93725	3.2
93.07043	66.4
95.04956	9.4
95.08608	82.4
97.02877	6.7
97.06538	9.7
97.10167	14.8
98.97601	7.0
99.04469	26.1
101.02407	4.6
101.06040	7.1
105.07034	77.4
107.04951	4.1
107.08591	78.5
109.06508	7.9
109.10155	53.1
111.08081	3.6
116.98644	4.3
117.07018	11.0
119.08585	85.5
121.06547	5.5
121.10136	66.2
122.26067	3.1
123.08071	5.5
123.11733	20.9
127.03842	3.7
128.98749	3.6
129.06978	5.8
131.08578	25.4
133.06532	6.7
133.10133	93.2
135.08067	3.9
135.11696	56.8
137.09570	3.7
137.13245	8.8
143.08540	14.2
145.10121	57.2
147.08041	4.8
147.11681	100.0
149.09576	3.8
149.13245	28.1
151.11243	4.9
156.09355	10.7
157.10135	19.4
159.11714	50.1
161.13263	38.9
163.11165	10.0
163.14804	12.6
169.10103	5.8
171.11691	29.3
173.13268	16.7
174.13853	3.0
175.11168	8.4
175.14822	13.6
177.12726	3.6
177.16360	5.0
179.14326	4.3
181.12263	3.4
183.11638	5.7
185.13252	4.4
187.11253	3.8
187.14835	21.8
189.12737	25.1
189.16393	38.2
191.17946	80.9
193.12234	13.2
197.13313	6.2
199.06418	3.7
199.14798	8.2
201.16345	29.0
203.17952	27.8
205.12283	14.6
205.19621	3.4
207.13818	50.5
209.15388	3.8
213.16460	6.8
215.17831	7.2
217.19545	10.6
222.61813	3.2
223.14716	4.3
227.17995	7.9
229.15868	3.9
229.19519	4.7
239.16086	6.8
241.19626	5.1
243.09134	4.4
255.09048	4.5
255.21053	4.9
257.22681	3.3
267.08997	6.8
269.10760	8.1
269.22583	4.6
283.08557	9.2
283.15320	4.0
284.12640	6.8
285.10071	10.6
301.09808	3.5
331.15784	13.6
349.16895	17.7
361.28870	4.7
363.62042	3.6
367.17670	3.5
379.29919	8.7
397.19028	5.6
397.27075	6.8
397.30905	91.2
397.34860	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	397.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.4
57.03432	1.5
57.07067	3.8
58.72927	1.2
67.05499	7.7
69.03426	2.0
69.07084	7.1
70.09944	1.1
71.04996	1.7
71.62393	1.5
79.05495	6.3
81.07059	14.5
83.08620	2.7
85.06527	2.2
91.05460	11.4
93.07043	18.0
94.07364	1.5
95.04984	2.6
95.08032	2.0
95.08606	26.1
97.06550	1.5
105.07030	28.5
107.07864	1.3
107.08593	26.4
109.06499	2.8
109.10157	11.7
111.08047	1.5
115.05453	1.0
117.07001	2.1
119.08586	41.0
120.71088	1.1
120.93023	1.2
121.06473	1.5
121.10144	14.1
123.08039	1.8
123.11694	6.7
125.09602	1.4
129.06999	1.8
131.08582	4.2
133.10130	28.1
135.11694	36.4
137.13228	2.6
143.08542	2.6
145.10077	7.3
147.07990	2.2
147.11682	46.3
149.09607	2.0
149.13239	6.8
151.11186	3.8
157.10143	3.5
159.11722	8.0
161.13261	10.4
163.11147	1.4
163.14838	10.6
169.10100	1.4
171.11650	2.6
173.13264	3.2
175.11185	64.6
175.14816	4.1
177.12755	2.9
177.16412	2.0
183.11650	1.5
185.13304	2.5
187.14792	4.4
189.12793	2.4
189.16391	64.3
191.17931	5.1
199.14789	3.3
201.16353	3.5
203.14311	2.6
205.15961	1.2
207.17442	100.0
208.17816	1.9
213.16406	1.9
215.17949	1.6
217.15883	3.8
217.19591	1.4
225.16377	1.7
231.17603	1.3
243.17345	1.4
257.18961	2.3
269.19058	1.5
361.28949	2.6
363.38263	1.2
379.30057	4.3
397.27219	2.5
397.31024	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	397.3103
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.50088	2.0
53.03941	5.8
55.05510	29.9
56.96550	4.5
57.03445	2.5
57.07067	6.1
59.04988	3.8
65.03919	2.2
67.05501	26.0
69.07068	23.1
69.91628	8.2
71.04979	7.8
79.05490	17.8
81.03371	1.7
81.07053	44.6
83.04984	6.2
83.08622	10.3
85.02888	3.8
85.06538	6.9
91.05470	26.2
91.70219	1.9
93.07040	43.1
95.04964	4.3
95.08604	63.0
97.10160	4.4
98.97579	2.9
99.04456	25.7
99.61121	2.3
101.06003	10.9
105.07029	64.1
106.07384	2.4
107.08590	64.8
109.06542	4.7
109.10148	34.8
111.08073	2.0
111.11746	1.8
114.76007	1.9
117.07014	7.0
119.08577	76.9
121.06516	2.8
121.10134	54.6
123.08085	3.1
123.11727	15.6
129.06979	3.9
130.03918	2.0
131.08560	16.6
133.06517	2.8
133.09076	3.8
133.10126	81.9
134.10423	2.6
135.11694	37.9
137.09566	3.2
137.13264	6.0
142.07712	2.3
143.08551	10.4
144.09384	4.2
145.10126	40.6
147.08003	2.5
147.11690	87.8
148.11920	2.0
149.09651	4.0
149.13260	20.9
151.11205	2.8
156.09381	8.9
157.10138	6.8
159.11691	32.8
161.09631	4.4
161.13277	30.1
163.11229	2.8
163.14810	8.4
167.10646	2.0
171.11676	19.2
173.13290	13.8
175.11156	3.6
175.14781	10.4
177.12753	4.0
177.16379	5.0
179.10628	3.3
181.12230	4.8
183.11703	4.6
184.12560	2.0
185.13315	9.9
187.11205	3.1
187.14819	10.8
189.00670	2.0
189.12743	30.2
189.14546	2.1
189.14864	2.5
189.16389	27.4
191.10776	2.6
191.17946	78.1
193.12212	15.7
195.13916	2.0
197.13237	3.3
199.11230	2.1
199.14803	4.2
200.15306	1.9
201.07173	2.0
201.16400	24.9
203.17972	22.1
205.12242	20.1
205.19537	2.2
207.13800	72.8
209.15176	2.6
211.14891	3.0
213.16415	4.2
215.18025	3.2
217.19534	7.9
221.15182	2.3
225.16624	3.3
227.18007	4.0
229.19528	3.4
233.15247	2.4
241.19391	3.8
243.09647	2.0
243.17545	2.4
243.21069	2.7
247.17041	2.8
249.18492	2.3
253.19620	3.0
255.21111	4.0
261.18597	3.5
267.08990	2.5
285.10086	4.2
301.21603	3.1
327.23325	6.3
379.29971	5.3
397.31024	100.0
398.24200	5.5
398.31369	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	397.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05498	13.3
56.96556	3.1
57.07058	4.3
67.05498	17.4
69.07065	21.4
70.65884	6.0
71.08627	2.6
79.05489	19.3
81.07057	51.6
83.08626	10.6
85.58945	1.7
91.05481	19.0
93.07040	49.1
95.04948	3.2
95.08605	69.7
97.10170	5.9
99.08074	8.1
105.07028	46.8
107.08590	56.8
109.06544	2.8
109.10152	32.3
111.08067	2.0
111.11726	1.9
117.07002	8.0
119.07780	3.5
119.08584	54.9
119.09442	3.1
121.10136	39.7
123.08085	2.3
123.11689	13.0
125.09613	2.1
129.07024	3.9
131.08549	12.7
133.09212	3.2
133.10133	33.5
135.11685	22.0
137.09648	2.5
137.13257	7.3
139.11157	4.9
140.32498	1.5
143.08583	11.7
145.10121	21.1
147.11681	38.9
149.13258	100.0
153.09100	2.2
156.09398	2.4
157.10168	9.7
159.11690	20.8
161.13260	83.1
163.14824	33.2
165.59866	1.9
169.10144	2.2
171.11700	10.6
171.83031	1.8
173.13257	15.4
175.14833	31.9
177.12706	2.1
177.16414	10.8
181.15918	2.2
183.11667	3.3
185.13222	7.5
187.14819	16.3
189.16379	41.1
191.17920	6.2
197.13295	2.9
199.14832	5.7
201.16393	14.9
203.17966	27.9
205.15984	2.1
205.19524	2.1
206.12131	1.7
207.17467	4.7
211.14873	2.4
213.16330	4.3
215.17992	10.5
217.15892	2.3
217.19495	4.8
221.19160	1.9
225.16269	2.4
227.17911	7.8
229.19542	5.5
233.15408	2.0
241.19504	4.3
243.21074	2.5
245.19057	4.0
247.16867	4.4
247.20764	2.7
253.19623	3.2
255.21024	6.2
259.20584	5.7
267.09018	4.3
285.10040	3.6
287.23566	2.4
295.24280	2.5
301.21640	1.8
309.25711	3.2
327.23218	2.7
351.30554	12.9
354.29108	2.2
355.30167	2.2
365.16156	2.2
379.29535	2.6
379.33527	6.3
397.16156	5.2
397.30756	20.9
397.34644	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.31
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.64425	2.3
51.92807	2.5
53.03949	2.6
53.27319	1.9
55.05522	16.7
56.96558	5.0
57.07074	5.3
67.05506	20.9
69.07068	21.6
70.79979	7.2
79.05492	23.6
80.36368	2.3
81.07053	54.4
83.08616	10.5
86.13876	2.1
91.05466	19.7
93.07040	50.6
95.04974	4.0
95.08603	63.9
96.08968	2.4
97.06535	3.6
97.10123	4.5
103.05474	2.9
105.07030	52.3
107.08591	69.3
109.06537	5.6
109.10146	28.5
111.08051	2.9
115.65772	2.2
119.07778	4.9
119.08582	71.7
121.06502	3.0
121.10144	43.1
123.08085	3.1
123.11716	10.2
131.08562	16.2
133.10133	50.7
135.11679	29.8
137.09558	3.1
137.13251	6.6
137.27350	2.0
143.08533	4.4
145.10069	23.3
147.07953	2.5
147.11688	38.9
149.09601	2.8
149.13252	100.0
153.09067	3.3
157.10133	8.6
159.11699	25.5
161.09599	4.3
161.13249	73.4
163.14825	43.6
165.21445	2.5
169.10109	2.4
171.11682	10.8
173.13232	17.6
175.11278	4.6
175.14810	27.4
177.09142	2.3
177.12845	2.5
177.16380	11.9
185.13249	8.1
187.14807	8.8
189.12723	4.5
189.16376	37.0
189.61499	2.6
191.17978	17.2
197.13264	3.3
199.14854	5.5
201.16408	16.1
203.14224	2.3
203.17952	34.4
205.19553	3.3
207.17532	3.1
213.16368	5.1
215.17969	11.0
217.12294	2.5
217.19498	3.8
223.16994	2.4
225.16429	2.7
227.17995	4.9
229.19464	4.8
234.81291	2.6
235.16963	3.4
241.19504	3.5
247.16945	9.0
249.18445	5.0
255.21028	7.4
261.18518	4.9
269.22604	4.5
287.20099	3.7
301.21619	2.2
330.08307	2.5
338.74631	2.4
351.30475	24.9
357.19421	5.3
374.17261	3.2
379.30008	9.9
380.81296	2.7
397.27066	5.0
397.30991	62.1
407.04889	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	397.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97295	0.5
53.81670	0.5
54.30813	0.5
56.96562	0.6
60.01025	0.5
69.03425	0.8
69.07058	2.0
70.07371	0.7
71.04985	0.9
71.61525	0.8
73.02933	0.5
78.49377	0.5
81.07039	0.5
84.04488	0.6
85.02911	2.6
91.05479	1.3
97.02905	0.6
97.06596	0.4
98.97575	2.2
100.11237	1.3
110.97575	1.2
112.56572	0.5
116.98613	0.6
119.08582	0.5
127.03905	0.5
128.98573	0.7
164.49181	0.5
170.85165	0.5
177.00848	0.7
185.04201	2.7
196.08629	0.6
205.04773	4.7
208.02304	0.5
219.01712	1.2
234.08615	4.9
235.09401	8.6
237.02840	1.9
271.05994	2.5
309.09528	0.9
316.29541	0.5
397.14719	100.0
397.31851	2.5
398.15131	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	397.1469
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
50.88474	0.6
51.68826	0.7
55.05510	0.8
56.96570	1.2
61.02906	1.0
67.05525	0.8
69.03418	4.0
69.07055	2.1
69.78137	3.9
71.04958	0.7
73.02911	1.3
79.05475	0.8
85.02914	3.0
86.09722	0.6
93.07020	1.0
97.02899	2.1
98.97581	1.8
105.06956	0.6
107.08610	1.3
109.10099	0.7
125.05976	0.8
125.09628	1.0
127.03916	1.2
129.02075	0.6
135.11705	0.8
137.02348	0.6
185.04221	1.8
191.14288	0.8
192.08392	0.7
201.65172	0.7
203.05836	1.0
203.07469	3.4
212.07909	0.8
219.06451	0.7
232.66643	0.6
234.08594	7.3
235.09393	7.6
235.11496	0.9
237.02832	0.6
243.09062	1.6
261.10138	4.0
282.08890	0.8
397.14682	100.0
398.14963	2.2
405.14355	7.6
413.10950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41849	1.3
54.28631	1.4
56.68447	1.3
56.96566	2.1
69.03429	2.2
69.07055	1.8
71.59989	1.4
71.60390	1.8
73.02885	1.4
81.03448	1.5
85.02885	3.6
92.37938	1.4
98.97582	3.3
116.98678	2.0
128.98705	2.0
135.04361	1.7
137.05931	1.9
163.03920	3.8
177.00803	1.5
204.69456	1.6
237.02754	2.7
341.86981	1.8
367.09943	6.4
397.11041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55065	1.7
53.03931	2.5
55.05521	15.7
57.07077	8.1
67.05508	29.1
67.46214	1.6
67.60465	1.5
69.07066	22.6
70.17715	2.3
70.18069	7.6
71.08628	3.3
72.88956	1.5
74.31155	1.6
76.87694	1.5
79.05499	14.8
81.07060	74.3
83.08624	11.8
90.56235	2.0
91.05488	9.8
93.07046	26.8
95.04912	2.0
95.08610	100.0
97.10169	13.0
98.21387	2.3
105.07023	16.9
107.07877	2.2
107.08592	42.3
109.06481	2.3
109.10156	64.7
111.11717	4.2
117.07048	1.8
119.08595	27.4
121.10143	34.1
123.11713	26.7
125.09605	2.8
131.08568	4.9
133.10152	13.7
135.11700	31.9
137.13268	17.2
143.08566	2.5
145.10121	7.4
146.71404	1.7
147.11670	15.8
149.12155	2.6
149.13261	24.3
151.14853	3.6
157.10101	4.1
159.11705	7.8
161.13284	14.0
163.14824	19.4
165.16386	2.9
171.11618	2.6
173.13237	7.6
175.14833	13.5
177.16374	9.7
185.13264	1.7
187.14812	5.0
189.16385	12.7
191.17940	22.8
201.16359	6.2
203.17928	17.4
205.19508	11.1
213.16306	3.1
215.17894	12.0
217.19530	14.7
229.19514	3.1
231.21095	6.7
241.19760	2.4
243.21117	5.2
245.22612	4.3
257.22687	9.6
271.24225	2.8
285.25803	1.9
339.79575	2.0
359.32813	2.1
377.34052	3.9
395.28873	3.3
395.37054	53.3
396.36990	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	395.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.0
56.96553	3.6
57.03425	4.3
57.07072	6.5
67.05505	41.2
69.07074	19.7
71.18388	4.6
71.18748	5.6
79.05500	25.1
80.65673	3.2
81.07063	58.4
83.04949	4.0
83.08613	9.4
85.06512	4.1
88.49836	3.3
91.05460	25.9
92.72043	3.3
93.07051	56.9
94.25470	3.6
95.04982	4.7
95.08608	100.0
95.09214	5.3
97.06516	5.6
97.10194	8.6
99.08086	4.1
105.07040	57.1
107.08607	66.9
109.06527	6.8
109.10161	44.7
109.67450	3.7
111.04433	3.2
111.08068	4.6
111.11694	4.7
117.07029	11.6
119.08591	53.2
121.06519	12.7
121.10152	51.7
123.11702	15.5
129.41910	3.2
131.08598	20.5
133.10123	40.4
135.08047	7.4
135.11678	31.4
137.13248	5.6
143.08569	9.3
145.10109	31.5
147.08070	11.6
147.11707	37.0
149.09634	8.6
149.13292	34.1
157.10138	16.0
159.11665	25.8
161.09648	31.1
161.13229	26.3
163.11185	7.7
163.14828	37.6
169.10115	10.6
171.11719	12.8
173.13263	21.4
173.45007	3.2
175.11232	6.7
175.14818	32.1
177.12804	5.8
177.16440	20.4
181.10089	3.9
183.11668	6.8
185.13264	13.8
187.11079	3.8
187.14810	29.5
189.12794	14.9
189.16385	28.8
191.14339	17.3
191.17931	7.0
195.11807	5.7
195.15518	3.3
197.13297	7.1
199.14882	9.8
201.16408	13.5
202.87982	3.6
203.17992	36.0
205.19492	3.7
211.14845	6.2
213.16376	10.5
225.16391	4.0
229.19562	7.2
239.17944	4.8
241.19437	6.1
271.24088	3.6
299.23730	9.7
307.24301	4.2
321.13931	3.7
367.33606	8.3
377.27936	4.7
377.32086	13.2
395.18124	32.1
395.28717	43.6
395.33231	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75648	6.5
55.05501	20.5
57.07060	16.2
67.05492	30.0
69.07070	43.7
71.04983	28.8
71.61449	7.5
79.05475	16.3
81.07048	59.9
83.08595	18.6
85.02977	6.9
91.05489	7.4
91.20699	6.9
93.07024	25.9
95.08611	74.2
97.06503	9.8
97.10182	14.1
105.07010	28.5
107.08568	42.7
109.10166	40.1
111.74017	6.8
116.09863	7.6
119.08575	62.9
121.10158	25.3
123.11682	21.4
125.13127	6.8
131.08565	16.9
133.10124	29.0
135.11676	25.5
137.13271	11.0
143.08574	16.4
145.10118	26.5
147.11697	15.8
149.13269	13.0
155.08588	8.2
157.10081	18.0
159.11703	28.7
161.09657	7.5
161.13264	9.8
163.14745	8.1
171.11668	16.0
172.28079	7.3
175.14828	14.5
177.16351	13.4
185.13274	59.2
189.16360	10.9
195.12279	8.9
199.14803	16.5
203.17950	12.5
213.16402	11.0
220.38150	8.0
221.75919	8.2
241.19466	15.2
245.18851	9.1
255.21111	48.3
257.18936	19.4
269.22504	17.2
276.49326	7.7
309.25824	20.0
323.27249	22.1
348.12827	8.0
356.27414	7.0
377.32495	6.4
395.32883	100.0
413.75098	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	395.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05506	13.0
57.07067	8.7
58.07405	1.7
60.03613	1.8
63.47341	2.1
67.05505	31.9
69.07068	18.1
71.08630	4.0
79.05498	20.4
81.07059	60.9
82.68752	1.8
83.04948	2.8
83.08613	8.8
91.05479	16.7
93.07045	52.4
95.04993	3.4
95.08607	100.0
97.06541	4.0
97.10161	6.1
98.21516	4.4
101.01691	1.8
105.07027	34.3
105.07676	3.6
107.08596	51.7
107.09286	3.8
109.06530	2.4
109.10155	35.8
111.08067	5.4
111.11697	2.3
117.06996	5.4
119.08578	38.7
121.06502	13.9
121.10149	42.7
121.11007	3.6
123.08094	5.1
123.11752	13.2
125.09613	2.5
129.06998	4.1
130.07822	2.3
131.08589	15.4
131.92659	2.0
133.10121	26.6
135.08057	6.5
135.11688	21.3
137.09624	5.2
137.13290	4.3
143.08566	6.0
145.10129	17.3
147.08038	16.2
147.11684	20.8
149.09647	5.7
149.13268	32.1
157.10120	7.4
159.10497	2.8
159.11670	13.1
161.09630	34.9
161.13261	14.6
163.11195	8.4
163.14836	22.3
169.10104	2.1
171.11713	5.7
173.13228	12.2
175.11209	4.5
175.14807	19.9
177.16373	17.1
183.11664	3.1
185.13260	6.9
187.11169	2.1
187.14835	16.9
189.12762	16.8
189.16408	19.8
191.14319	18.1
191.17876	9.3
197.13235	1.9
199.14828	6.5
201.12708	2.2
201.16435	7.2
203.14317	6.3
203.17944	21.8
205.15984	3.0
211.14847	3.1
213.16318	4.6
215.17972	3.5
217.15887	7.9
217.19565	4.2
219.17532	3.1
220.98048	1.7
225.16341	3.2
227.17957	3.6
229.19595	3.2
231.21129	2.8
253.19562	4.0
271.20633	2.1
271.24191	2.3
281.22635	4.7
299.23672	8.1
325.25217	3.2
377.31693	10.8
395.33243	56.8
396.33731	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	395.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
55.05502	16.3
57.07075	5.8
59.42977	2.0
59.88167	1.8
67.05502	29.4
69.03402	2.0
69.07065	21.4
69.56856	4.7
69.57262	10.9
79.05492	24.9
81.07056	57.1
83.08632	9.7
91.05479	24.6
93.06467	2.5
93.07050	52.5
95.04956	3.7
95.08609	100.0
97.06532	6.0
97.10165	5.7
105.07035	46.1
107.08601	70.0
108.51096	2.1
109.06474	2.6
109.10157	46.4
111.08088	5.8
117.07047	4.6
119.04633	2.2
119.08585	52.9
121.06525	7.6
121.10144	43.0
123.08076	6.2
123.11716	15.4
129.07104	3.0
131.08545	16.7
133.10152	33.6
135.08087	4.9
135.11684	31.2
137.09613	3.1
137.13272	5.9
139.11113	2.0
142.07864	2.5
143.08571	6.0
145.10118	26.7
147.08043	7.7
147.11690	29.1
149.09604	3.4
149.13266	38.9
151.11215	3.7
157.10138	9.5
159.11688	17.9
161.09596	16.0
161.13248	18.5
163.11232	3.7
163.14821	40.9
164.34924	2.2
165.12766	4.0
165.16348	3.6
169.10207	3.9
171.11687	9.1
173.13284	20.9
175.11217	2.6
175.14835	31.9
177.12828	3.6
177.16394	21.6
183.11691	3.9
185.13298	9.1
187.14815	30.6
189.12735	11.9
189.16393	37.8
191.14326	17.5
191.17967	5.4
193.15930	1.9
197.13255	4.0
199.14810	5.6
201.16382	13.6
203.14348	2.7
203.17946	31.3
205.15939	6.9
205.19537	5.0
213.16461	7.7
215.17982	14.2
217.15948	4.0
219.17458	5.3
223.14932	3.8
225.16455	4.0
227.17918	6.6
229.19574	7.8
231.17534	7.2
239.17957	4.7
241.19643	7.6
243.21133	5.8
253.19580	3.1
255.21069	6.3
257.19113	3.4
257.22659	2.1
267.21027	3.3
271.24338	9.4
277.69391	2.0
281.22522	3.7
299.23587	11.0
325.25256	3.6
351.93893	2.3
367.33701	6.6
372.21478	5.6
377.23563	2.6
377.27954	2.9
377.32065	22.8
395.28964	7.3
395.33191	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.05516	15.6
57.07067	6.3
64.26185	2.3
67.05508	29.2
69.07069	24.9
69.54469	12.3
69.54878	5.9
71.04990	3.5
71.08633	3.8
79.05499	21.3
81.07063	68.9
83.08615	15.0
85.06550	13.2
91.05483	24.0
93.07047	48.4
95.04956	3.7
95.08610	100.0
97.10155	5.6
101.20639	2.8
105.07031	45.6
107.08595	56.9
109.06535	3.6
109.10152	44.8
111.11707	3.3
117.07014	9.4
119.08585	47.9
121.10158	48.9
123.08099	3.2
123.11705	22.0
129.06992	5.3
130.07800	2.4
131.08583	25.1
133.10124	34.4
135.11711	45.7
137.13258	29.1
143.08540	14.1
143.43509	2.5
145.10138	33.1
146.84746	2.2
147.07962	3.1
147.11691	37.4
149.09622	3.7
149.13274	33.3
155.08582	5.6
157.10143	15.8
159.11703	34.8
161.13272	34.3
163.14839	17.7
165.12709	3.2
169.10155	6.4
171.11777	14.0
173.09610	5.1
173.13251	19.2
175.11234	4.2
175.14874	6.8
177.12772	18.9
177.16367	11.4
183.11655	3.7
185.13284	21.4
187.14830	31.2
189.12727	9.2
189.16336	17.3
191.14317	6.3
191.17960	47.5
197.13187	6.9
199.14879	9.9
201.16425	9.1
203.14362	18.9
203.17990	19.1
205.15903	12.7
205.19518	27.3
211.14824	6.4
213.16437	4.2
215.14351	4.7
215.17995	8.9
217.15912	6.1
217.19565	16.2
225.16440	4.9
227.17938	9.9
229.19577	5.6
231.20999	2.9
239.17953	6.4
241.19469	4.6
243.17416	3.6
245.18988	3.8
253.19507	4.7
255.21036	6.6
257.19104	5.5
267.21182	2.8
271.20654	2.5
304.73206	2.3
377.32239	17.5
395.28452	16.0
395.33060	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00701	4.2
53.03938	4.2
55.05509	14.7
56.96538	3.4
57.07059	6.1
58.94764	2.9
67.05504	32.1
69.07066	26.0
71.04988	4.8
71.61560	3.3
79.05493	21.5
81.07054	61.3
83.08604	10.8
85.02911	2.9
91.05459	22.3
93.07052	54.3
95.04958	7.4
95.08609	100.0
95.09222	4.9
97.06539	7.2
97.10157	7.3
105.07021	51.0
107.08594	69.7
109.10154	45.3
111.08018	5.0
117.07003	11.2
119.08570	59.6
121.06496	7.9
121.10148	57.7
123.08041	4.3
123.11728	18.7
125.22774	3.3
129.06992	6.2
131.08566	29.8
133.10115	41.4
135.08072	3.6
135.11674	35.1
137.09599	5.2
137.13222	14.0
143.08556	12.4
145.10086	29.6
147.08052	7.0
147.11673	29.6
149.09637	5.6
149.13254	38.3
155.08557	7.1
157.10159	20.3
159.11687	34.3
161.09645	18.3
161.13251	31.5
163.11150	8.8
163.14827	31.6
169.10130	8.1
171.11742	22.0
173.09642	6.2
173.13231	27.8
175.14816	25.4
177.12773	4.5
177.16344	19.7
183.11678	8.4
185.13263	15.8
187.11237	5.1
187.14830	32.7
189.12718	7.4
189.16399	33.0
191.14326	17.1
191.17953	10.3
195.11684	3.7
197.13222	8.2
199.14864	9.5
201.16377	17.8
203.14268	6.8
203.17941	21.1
205.15871	8.3
205.19466	8.5
207.09946	3.7
211.14763	3.7
213.16388	11.3
215.14340	3.6
215.17900	10.9
217.15903	4.2
217.19527	6.2
225.16347	6.4
227.17984	8.8
229.19548	8.0
230.56738	3.1
231.17436	7.1
237.16338	3.6
239.17961	5.7
241.19516	5.5
243.17448	4.0
251.17912	5.0
253.19527	5.3
255.21129	3.8
267.21140	6.0
271.24142	10.0
278.46103	3.2
281.22531	7.7
299.23730	11.5
349.29230	3.7
367.33838	6.8
377.27792	4.5
377.32202	14.9
395.24551	3.3
395.29211	50.7
395.33157	58.7
396.34000	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	395.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60992	2.0
55.05510	11.3
66.34010	2.1
66.55596	2.1
67.05504	19.9
69.07066	11.6
71.62382	2.8
74.37422	2.3
79.05495	18.7
81.07063	38.8
83.08634	5.1
91.05484	20.1
93.07047	40.0
95.05008	2.4
95.08613	45.7
103.10098	2.0
105.07035	47.9
107.08595	54.8
107.36673	1.9
109.06496	2.6
109.10168	19.0
117.07008	9.6
119.08582	60.6
121.10165	25.4
123.08096	3.1
123.11737	6.0
129.07033	5.4
130.71468	1.8
131.08582	22.1
133.10120	27.9
133.10890	2.1
135.11717	18.7
142.07748	2.7
143.08569	7.0
144.09338	2.8
145.10129	47.7
146.10808	2.2
147.11699	41.4
149.09567	2.1
149.13258	68.3
151.07420	2.3
153.09117	3.3
155.08562	2.6
157.10095	12.1
159.11717	38.4
161.13255	83.2
163.07532	2.8
163.14850	14.2
163.16049	2.2
169.10136	7.1
171.11743	9.4
173.09645	2.6
173.13261	28.9
175.14825	32.9
175.16217	2.3
177.16454	5.8
179.10582	2.5
183.11856	3.3
185.13304	9.0
187.14822	20.2
189.16350	15.4
197.13286	3.8
199.14864	13.2
201.16371	38.1
201.18219	2.5
203.17984	6.6
209.13336	2.8
211.14835	3.9
213.16402	12.9
215.18005	5.1
217.19669	2.2
219.13861	3.7
219.17407	2.7
221.15454	1.9
225.16371	6.8
227.18013	7.6
233.15501	2.9
239.17975	5.9
241.19548	7.6
243.21101	2.4
247.16997	8.6
253.19672	6.1
271.16815	2.3
279.21124	2.5
285.18674	3.5
286.77075	2.4
287.20035	4.6
299.20102	2.5
313.21725	3.4
349.28946	34.2
377.27948	3.8
395.29456	100.0
396.29865	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	395.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60992	2.0
55.05510	11.3
66.34010	2.1
66.55596	2.1
67.05504	19.9
69.07066	11.6
71.62382	2.8
74.37422	2.3
79.05495	18.7
81.07063	38.8
83.08634	5.1
91.05484	20.1
93.07047	40.0
95.05008	2.4
95.08613	45.7
103.10098	2.0
105.07035	47.9
107.08595	54.8
107.36673	1.9
109.06496	2.6
109.10168	19.0
117.07008	9.6
119.08582	60.6
121.10165	25.4
123.08096	3.1
123.11737	6.0
129.07033	5.4
130.71468	1.8
131.08582	22.1
133.10120	27.9
133.10890	2.1
135.11717	18.7
142.07748	2.7
143.08569	7.0
144.09338	2.8
145.10129	47.7
146.10808	2.2
147.11699	41.4
149.09567	2.1
149.13258	68.3
151.07420	2.3
153.09117	3.3
155.08562	2.6
157.10095	12.1
159.11717	38.4
161.13255	83.2
163.07532	2.8
163.14850	14.2
163.16049	2.2
169.10136	7.1
171.11743	9.4
173.09645	2.6
173.13261	28.9
175.14825	32.9
175.16217	2.3
177.16454	5.8
179.10582	2.5
183.11856	3.3
185.13304	9.0
187.14822	20.2
189.16350	15.4
197.13286	3.8
199.14864	13.2
201.16371	38.1
201.18219	2.5
203.17984	6.6
209.13336	2.8
211.14835	3.9
213.16402	12.9
215.18005	5.1
217.19669	2.2
219.13861	3.7
219.17407	2.7
221.15454	1.9
225.16371	6.8
227.18013	7.6
233.15501	2.9
239.17975	5.9
241.19548	7.6
243.21101	2.4
247.16997	8.6
253.19672	6.1
271.16815	2.3
279.21124	2.5
285.18674	3.5
286.77075	2.4
287.20035	4.6
299.20102	2.5
313.21725	3.4
349.28946	34.2
377.27948	3.8
395.29456	100.0
396.29865	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	395.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.3
54.46080	1.4
55.05511	8.3
57.07056	2.4
57.46589	1.4
67.05508	15.7
67.11565	1.6
69.06731	1.9
69.07060	14.1
71.61968	2.2
79.05499	15.2
81.07059	35.4
83.08609	5.2
83.16099	1.5
91.05468	21.2
93.06461	2.3
93.07043	37.8
95.04926	4.3
95.08605	50.0
97.06569	2.3
98.97535	1.6
103.05489	1.7
105.06369	3.0
105.07030	43.1
107.08600	51.2
109.06528	3.0
109.10149	17.2
117.07012	5.9
119.08579	62.5
121.10142	23.7
123.08024	2.2
123.11706	6.5
123.70395	1.7
125.05904	1.7
130.07796	1.9
131.08572	20.3
133.10144	26.2
135.08031	2.4
135.11687	12.5
137.13193	2.1
142.07840	2.3
143.08556	10.4
144.09337	2.8
145.10120	44.2
145.15239	1.7
147.07968	2.0
147.11684	34.9
149.13258	59.7
153.09026	3.4
155.08505	2.7
156.09419	3.0
157.10109	10.8
158.10895	2.5
159.11691	36.1
160.90610	1.6
161.13255	71.7
163.07516	3.5
163.14790	14.2
165.12785	2.3
169.10097	6.6
171.11708	9.5
173.13264	26.6
175.14821	31.5
177.16356	6.8
183.11685	4.0
185.13274	9.4
187.11150	1.9
187.14832	22.3
187.70235	1.7
189.16373	19.5
191.10493	2.2
193.12160	1.8
195.11566	2.7
197.13287	5.6
199.14864	10.3
201.16379	38.7
203.17957	6.8
211.14761	2.7
213.16449	14.1
215.14360	3.0
215.17950	5.9
219.13783	3.1
219.17445	1.8
221.15430	3.0
223.14766	2.0
225.16447	4.9
227.17970	11.5
229.15840	2.1
229.19365	2.5
233.15413	4.3
239.17912	6.4
241.19528	5.5
245.15395	5.6
247.16936	11.3
253.19420	9.3
259.16864	2.8
267.20972	2.3
271.16959	2.4
279.21039	3.2
285.18445	4.5
287.20166	3.6
299.20071	3.4
305.22574	2.7
313.21588	3.8
335.79858	2.1
349.28900	35.4
353.24622	1.8
367.29895	2.9
377.28406	4.7
395.24960	4.3
395.29376	100.0
396.29340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05509	9.4
56.81663	2.0
57.07082	4.0
61.84867	2.0
65.03954	3.2
66.40767	2.0
67.05505	19.5
69.03426	2.3
69.07072	14.2
71.04985	2.6
74.46655	1.9
79.05498	19.6
81.07054	46.4
83.08614	5.3
85.06548	2.8
88.07659	2.6
91.05476	24.6
93.07045	51.9
95.04917	2.5
95.08606	52.3
97.10117	2.1
97.95071	2.1
99.08098	3.4
102.09196	2.2
105.07026	54.6
107.08595	58.3
109.06531	3.2
109.10159	24.8
117.07030	9.3
119.08582	75.4
121.10153	33.2
123.08055	3.1
123.11729	8.3
129.07011	4.1
130.07817	2.8
131.07706	2.7
131.08586	31.0
133.10132	32.2
135.11693	20.2
137.09668	2.8
137.13225	3.8
141.99199	2.2
142.07813	2.6
143.08545	13.9
145.10126	57.9
147.11682	46.5
147.12785	4.0
149.02357	7.4
149.09514	2.7
149.13255	85.0
150.02663	4.5
151.07564	2.8
153.09126	5.6
157.10178	14.9
158.10880	2.9
159.11694	42.3
161.13254	70.2
163.07552	2.5
163.14806	16.2
169.10107	5.7
171.11624	12.4
173.09631	4.1
173.13268	26.0
175.14841	40.1
177.16391	6.2
183.11653	7.7
185.13196	13.2
187.14856	22.5
189.16420	12.8
191.17975	2.9
193.05016	9.4
193.15854	2.4
194.05357	7.6
197.13266	5.7
199.14807	14.0
201.16388	41.5
203.17963	10.2
205.12187	2.9
209.13365	2.7
211.14816	3.1
213.16333	11.7
215.14384	3.3
215.17975	9.6
219.13844	2.8
221.15500	2.4
225.16396	9.0
227.17967	11.0
228.23244	2.9
229.06516	3.1
229.23573	4.4
231.13843	3.3
239.17967	4.7
239.55106	2.6
241.19569	6.9
245.15343	7.7
247.16962	5.8
251.18202	2.7
253.19507	3.9
259.17001	3.9
272.01456	2.5
279.20947	3.2
285.18396	5.4
293.22879	4.0
299.20087	2.4
305.22510	4.0
321.25732	2.6
349.28876	29.4
376.14267	2.1
377.28342	9.8
395.20142	4.1
395.29703	100.0
396.29922	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	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91792	0.6
59.16005	0.6
64.39510	0.5
69.03425	0.6
71.60879	0.9
73.02936	0.8
84.08125	0.9
85.02891	0.8
86.09704	0.5
91.05461	0.7
98.97570	1.0
151.07588	0.7
166.34575	0.7
185.04211	4.2
217.04694	1.1
232.07039	11.7
232.09166	1.0
233.07855	10.7
330.78357	0.7
364.11307	2.8
365.12042	1.0
395.13138	100.0
396.13300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2947
Annotation	Sargaol
Peak:m/z	Relative Intensity
53.03968	2.2
54.63831	1.4
55.05513	10.5
67.05505	18.5
69.07069	13.9
69.27391	3.3
69.27800	13.9
75.31403	1.7
79.05500	16.8
80.99633	1.4
81.07064	40.8
81.07508	2.7
83.08629	7.2
85.02936	1.6
85.06546	1.8
86.05476	1.4
91.05480	18.8
93.07051	41.3
93.07612	2.3
95.04983	2.4
95.08607	45.1
95.36932	1.4
97.10220	1.4
99.08071	2.0
105.07027	44.7
107.08591	51.3
109.06579	2.9
109.10171	17.9
117.07028	7.6
119.08588	64.8
121.10140	25.9
121.10896	2.2
123.08127	3.3
123.11755	6.6
125.06071	2.6
126.24250	1.6
128.06252	3.1
129.07068	3.0
129.49457	1.3
130.07764	1.7
131.08565	24.1
133.10144	28.9
135.08156	1.8
135.11674	14.8
137.06009	1.8
137.13301	2.6
141.07056	3.0
142.07877	3.6
143.08527	8.0
145.10129	48.4
147.11699	34.2
147.12773	2.7
149.13263	55.4
153.09125	2.7
155.08580	2.1
157.10132	12.2
158.10941	2.3
159.11702	42.1
161.13261	73.8
163.11237	2.2
163.14830	13.4
169.10223	6.3
171.11697	10.5
173.09808	2.2
173.13272	25.2
175.14830	32.6
177.09245	2.1
177.16501	6.1
179.10703	2.5
181.10135	1.8
181.12372	1.9
183.11757	4.3
185.13235	12.3
187.14798	18.9
189.16417	14.6
193.12234	1.9
197.13361	6.1
199.14844	12.4
201.16389	34.2
201.18181	1.8
203.18002	8.4
209.13409	1.9
211.14929	5.1
213.16420	12.3
215.14325	1.9
215.18013	6.1
219.13844	1.9
221.15417	3.3
221.34526	1.6
225.16373	8.4
227.17984	10.0
229.19469	1.8
233.15523	4.1
237.16376	2.0
239.18011	6.5
241.19467	8.4
243.21481	1.6
245.15355	7.4
247.16980	8.9
253.19635	6.0
259.17105	3.4
267.21249	2.1
271.17130	3.3
279.21143	3.3
285.18680	5.1
287.20282	3.1
293.22681	4.7
299.20114	3.4
305.22681	2.7
307.24503	2.2
325.21780	2.6
349.28952	28.2
349.32999	2.0
366.62125	1.6
377.28442	5.3
395.20859	3.7
395.29459	100.0
396.29929	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.7
69.03443	0.5
70.35775	0.6
71.11848	0.5
71.12147	0.7
73.02898	0.6
79.05466	0.6
79.08685	0.5
85.02886	1.2
91.05483	0.8
95.04981	0.8
97.02876	1.2
98.97560	1.5
101.53588	0.5
107.04966	0.7
108.04472	0.9
117.03336	0.8
119.01888	1.1
119.04908	0.5
120.08127	1.1
122.05944	0.6
128.32317	0.5
135.04407	1.6
145.02855	0.5
147.04425	3.4
150.05484	1.3
157.16328	0.5
158.99689	0.8
163.03896	7.4
164.04245	1.1
168.06532	1.3
182.08228	0.6
185.04202	0.6
200.87222	0.5
207.05112	0.6
212.05545	0.5
219.01718	0.8
219.04922	0.6
221.05019	0.9
226.07240	0.6
233.07942	1.2
237.02728	1.2
239.02277	0.9
333.12997	1.2
335.09973	4.0
373.44476	0.5
395.13135	100.0
396.01010	0.6
396.13455	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	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84133	1.1
51.87796	1.1
52.07594	1.0
56.96551	3.3
57.81530	0.9
61.02924	1.2
69.03417	3.2
71.61062	0.9
71.61435	1.5
73.02907	1.4
81.03415	1.4
81.07060	1.1
85.02902	5.1
91.05473	1.6
93.07055	1.6
97.02881	2.9
98.97584	4.5
108.04457	3.0
116.98653	1.5
119.04924	1.1
122.06030	2.0
148.03937	1.3
150.05492	7.1
157.99500	1.0
168.06618	3.4
175.40250	1.0
180.06551	2.6
185.04247	3.5
203.07466	2.5
211.07115	1.1
212.05569	4.0
212.26096	1.2
226.07039	5.0
232.07040	10.9
233.07849	7.8
235.51431	1.3
252.57327	1.1
317.11453	1.4
363.11957	4.7
364.11365	1.9
395.13150	100.0
396.13492	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.6
56.96551	2.0
57.07076	6.5
67.05501	19.7
69.07074	16.3
71.62380	2.4
79.05492	13.2
81.06575	2.5
81.07058	49.2
83.08605	7.9
91.05466	8.9
93.07044	24.3
95.04950	1.6
95.08607	63.3
97.06551	2.9
97.10171	7.1
98.97709	1.8
98.98473	2.2
105.07028	22.7
107.08588	33.3
109.06535	2.7
109.10155	27.9
111.11723	2.9
113.11922	1.6
117.07018	4.9
119.08569	27.5
120.41815	2.0
121.10146	25.5
123.11706	12.2
125.13345	2.2
129.07011	2.7
131.08553	11.5
133.10133	19.3
135.11664	12.5
137.13252	15.8
143.08577	9.5
145.10118	22.1
145.11140	2.6
147.11687	15.9
149.13260	24.0
155.08682	1.8
157.10095	9.0
159.11691	25.3
159.12869	2.6
161.13213	8.7
163.14815	20.5
171.11688	8.5
173.13231	11.7
173.73253	1.9
175.14847	18.8
177.16403	13.5
183.11684	3.8
185.13322	7.6
187.14838	21.8
189.16344	12.0
191.17996	7.3
199.14839	7.6
201.16411	13.9
203.17955	16.7
211.14934	2.0
213.16365	18.8
215.17986	17.7
217.19489	8.2
227.18050	6.0
229.19597	4.5
231.21144	4.9
239.18004	1.7
241.19528	11.4
243.21100	8.0
245.22554	1.9
255.21109	16.6
257.22632	3.9
269.22693	8.5
282.24243	2.0
297.25873	2.7
309.25687	2.2
320.20831	1.8
323.27390	3.6
375.25320	2.2
375.30237	2.8
393.22678	5.0
393.27069	7.6
393.35284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06282	1.1
55.05516	8.8
56.96548	2.7
57.07062	3.9
58.32003	1.4
67.05227	1.1
67.05506	15.2
69.07064	14.5
70.40916	4.1
71.08646	1.6
71.32307	1.2
73.75929	1.3
79.05495	9.2
79.99422	1.3
81.06570	2.1
81.07057	43.2
83.08600	6.0
91.05473	8.3
93.07041	27.7
95.04944	2.1
95.08607	68.6
97.10156	4.8
98.20746	1.6
98.97598	2.5
105.07024	23.1
107.08600	31.9
109.09456	1.7
109.10165	30.2
110.97556	1.6
117.07013	4.3
119.08581	32.3
121.10133	21.5
123.11705	14.5
128.06226	2.4
129.06981	3.8
131.08559	10.1
133.10138	18.2
135.11728	12.6
137.13263	17.6
142.07822	1.8
143.08554	14.0
145.10123	20.1
147.11693	17.9
149.12163	2.4
149.13269	31.4
149.14302	1.1
151.14825	1.6
156.09291	1.7
157.10100	6.4
159.11674	16.9
161.13301	11.6
163.14816	17.6
171.11684	11.0
173.13242	12.2
175.14813	20.5
177.16414	14.4
185.13260	6.4
187.14810	19.5
189.16414	17.1
191.17967	7.6
197.13278	1.8
199.14796	8.8
201.16389	10.1
203.17973	24.3
205.19595	1.9
211.14818	2.2
213.16388	29.8
214.17021	1.7
215.17940	24.2
217.19521	3.9
227.17937	9.2
228.18649	1.5
229.19542	7.2
231.21135	3.4
241.19458	18.6
243.21123	13.7
255.21059	23.2
255.23560	1.9
257.22473	2.8
267.21234	1.6
269.22522	6.9
297.25848	2.1
351.30475	1.6
393.35150	100.0
394.12030	1.3
394.17627	1.6
394.35391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.6
55.94522	1.0
57.07066	3.1
62.91088	1.0
63.42797	0.8
65.03933	1.5
67.05505	18.1
68.23582	1.0
69.07070	17.4
69.89280	1.0
70.39875	2.6
70.40240	2.4
79.05489	8.6
81.07057	43.1
83.08617	7.1
91.05489	9.8
93.07043	23.9
95.04956	1.1
95.08607	65.5
97.10169	4.4
98.21457	1.2
105.07032	21.8
107.08591	29.1
109.10160	29.0
111.11754	2.5
117.07008	3.3
119.08580	34.5
121.10143	20.9
123.11715	14.8
128.06241	1.7
129.07005	2.5
130.84782	1.0
131.08559	9.0
133.10123	17.1
135.11700	12.9
137.13257	14.4
143.08554	13.2
145.10123	20.4
147.11682	19.8
149.13255	29.2
156.09355	1.8
157.10136	7.0
158.10928	2.1
159.11707	19.4
159.13004	1.8
160.12122	1.2
161.13254	12.2
163.14836	17.7
165.16318	2.1
166.23521	1.2
171.11729	9.0
173.13254	10.7
175.14818	21.1
177.16394	13.0
179.72050	1.2
183.11702	1.3
185.13310	8.4
187.14822	18.8
189.16396	23.3
191.17950	8.2
199.14861	8.3
201.16344	9.2
203.17957	22.4
205.19632	2.0
213.16385	26.9
214.16980	1.7
215.17952	21.2
217.19545	3.1
227.17967	7.3
229.19389	5.8
231.21082	4.1
241.19533	13.0
243.21034	13.1
255.21080	18.7
257.22614	2.1
269.22537	5.0
278.68033	1.1
283.24277	2.3
297.25620	1.6
323.27515	1.8
344.99734	1.2
351.30457	1.3
393.35156	100.0
394.35236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58648	1.4
53.03936	1.8
55.05513	16.0
57.07060	6.4
60.43325	1.6
67.05171	2.3
67.05508	30.8
69.06710	2.0
69.07072	28.8
71.08657	1.5
71.12880	2.1
79.05489	11.6
81.07058	55.8
82.06580	3.6
83.08624	16.3
91.05495	11.1
93.07053	26.0
95.04960	1.8
95.08607	72.1
97.06501	2.6
97.10162	5.6
105.07037	17.6
107.08601	28.9
109.06514	5.4
109.10163	32.3
115.65833	1.4
117.07028	3.4
119.08584	24.9
121.10130	19.1
123.11717	13.0
128.06221	2.1
129.07010	3.0
131.08563	8.0
133.09395	1.4
133.10153	15.6
135.11684	10.6
137.09674	1.6
137.13255	18.8
139.11130	1.4
142.07829	1.4
143.08571	14.1
145.10100	14.2
147.11690	14.3
149.13261	30.9
151.14790	1.9
157.10204	7.1
158.10941	1.7
159.11722	13.1
161.13264	11.0
163.14818	16.3
171.11656	10.2
173.13309	9.9
175.14839	14.3
177.16415	9.4
179.14323	1.8
185.13257	6.4
187.14839	11.7
189.16429	8.4
191.17929	4.7
196.17120	2.1
199.14780	8.7
201.16380	5.6
202.16634	1.5
203.18021	7.8
206.00890	1.5
213.16409	26.2
215.17935	17.7
217.19443	2.5
227.17926	6.7
229.19479	6.8
231.21075	8.1
241.19530	12.7
243.21085	11.0
249.22240	4.9
255.21118	18.8
257.22546	2.9
266.24792	55.5
269.22626	4.8
323.27362	2.0
350.51822	1.7
357.28906	2.6
375.30081	54.0
393.30991	100.0
393.35248	69.0
394.35617	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	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05503	11.1
57.07078	5.5
65.22887	2.0
67.05505	19.3
69.07069	20.8
71.00297	2.6
71.00634	3.5
79.05497	9.4
81.07062	51.4
82.06598	2.6
83.08628	9.4
91.05494	9.0
93.07056	26.3
94.38004	2.0
95.08611	61.6
97.10175	6.1
105.07039	26.8
107.08606	36.4
109.10158	35.9
111.11710	3.5
114.96802	2.1
117.07001	3.6
119.08591	40.7
121.10149	22.1
123.11717	14.1
129.07066	4.5
131.08566	9.8
133.10150	19.9
135.11723	12.8
137.13255	15.4
142.94624	1.9
143.08571	18.5
144.09349	4.3
145.10110	23.2
147.11713	18.1
149.13257	28.3
157.10168	7.6
159.11714	22.1
161.13261	14.2
163.14799	21.0
171.11694	10.0
173.13275	11.8
175.14827	24.1
177.16415	15.9
185.13297	7.7
187.14833	21.7
189.16383	24.2
191.18034	6.4
199.14885	8.3
201.16475	10.5
203.17952	30.9
213.16359	25.7
215.17947	27.7
217.19498	5.3
227.18042	6.6
229.19551	6.8
231.21156	5.9
241.19444	13.6
243.21091	14.1
255.21098	18.0
257.22778	2.3
258.98080	2.1
266.24826	12.2
269.22748	6.3
375.30038	11.3
393.22943	2.7
393.31042	18.5
393.35312	100.0
419.58008	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05506	9.7
56.96564	3.8
57.07072	7.2
57.83740	1.5
65.03881	1.9
67.00039	1.6
67.05508	16.6
67.66150	1.7
69.07067	23.5
71.08643	2.6
75.80105	1.5
79.05489	12.3
81.06579	2.2
81.07064	51.1
83.08635	10.4
91.05466	11.5
93.07047	26.0
95.08612	73.7
97.10155	6.2
98.97590	25.6
105.07029	24.9
107.08595	40.8
109.08144	1.8
109.10160	36.8
111.11735	2.5
116.98610	9.8
117.06995	2.9
119.08588	44.4
121.10146	33.0
123.11706	17.1
129.07007	3.9
131.08586	14.6
131.55925	1.6
133.10155	20.9
134.99605	1.6
135.11703	19.2
137.13284	17.8
143.08562	7.7
145.10136	30.1
147.11688	17.4
149.02362	5.8
149.13261	29.9
157.10075	8.2
159.11694	35.5
161.13303	13.1
163.14801	22.2
163.16052	1.9
170.42670	1.7
171.11705	7.8
173.13263	12.6
175.14824	18.4
177.16412	16.1
179.17865	2.5
185.13246	5.7
187.14842	27.2
189.16391	15.7
190.98700	8.3
191.17987	8.9
193.04977	6.8
199.14850	6.7
201.16396	15.3
203.17955	21.2
205.19502	1.9
208.99785	2.6
213.16364	17.2
215.17999	18.4
217.19531	7.2
227.17993	7.9
229.19493	9.6
231.21021	4.1
232.99748	4.2
235.47429	1.7
241.19556	11.4
243.21100	12.8
251.29190	2.0
255.21106	15.9
257.22977	3.4
269.22614	10.2
283.24176	2.6
297.25833	7.4
323.27347	2.1
331.58112	1.8
393.18457	2.1
393.27188	2.5
393.35208	100.0
394.25922	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	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05508	11.3
55.46517	1.1
57.07062	4.3
67.05505	16.5
69.06712	1.5
69.07065	20.9
71.08617	1.5
79.05487	9.9
81.07058	46.0
83.08627	7.6
91.05471	9.9
93.07043	20.7
95.04942	1.3
95.08605	68.5
97.06525	2.2
97.10175	7.6
98.21484	3.5
105.06365	2.2
105.07030	26.0
107.08595	32.4
109.10153	27.4
111.11678	2.0
117.07010	4.2
119.08578	29.1
120.95389	0.9
121.06519	1.2
121.10136	24.9
123.08025	1.4
123.11703	17.0
129.06993	3.5
131.08565	13.3
133.10130	19.0
135.11700	14.1
137.13240	13.7
142.07785	1.9
143.08560	9.6
144.09366	1.8
145.10117	19.5
147.11685	15.4
149.13264	22.5
151.14766	1.6
156.09360	1.3
157.10080	8.4
158.10901	2.2
159.11690	23.3
161.13283	11.0
163.14818	20.0
163.16090	1.9
165.16348	1.6
171.11690	8.1
173.13277	13.8
175.14816	20.8
177.16383	15.3
177.17810	1.5
183.11783	1.5
185.13286	5.1
187.14819	24.4
189.12903	1.3
189.16359	12.2
191.17941	6.6
195.11736	1.6
197.13301	2.0
199.14821	7.6
201.16408	14.2
203.17941	17.1
205.19472	2.0
211.14690	1.4
213.16382	16.8
215.17943	16.5
217.19505	9.1
225.16440	1.7
227.17876	5.9
229.19550	7.4
231.21127	4.9
239.18016	1.9
241.19518	11.7
243.21056	10.4
245.22722	2.0
255.21112	16.6
257.22714	3.6
269.22592	8.9
271.24411	1.7
281.22614	1.1
283.24301	1.5
295.24210	1.5
297.22467	1.2
297.25833	3.4
300.73471	1.1
323.27505	1.8
337.29135	1.9
351.30609	2.6
393.22290	14.4
393.26865	5.0
393.35223	100.0
394.35480	2.8
400.48679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
55.01616	0.9
55.01873	12.5
55.05508	4.2
57.03433	5.5
57.07079	23.7
67.05492	1.5
69.07060	5.0
69.94411	4.1
71.08636	20.9
74.50248	0.7
75.74493	0.8
78.79449	0.8
81.03429	15.2
81.07059	2.5
83.08622	3.3
85.06578	0.8
85.09709	1.2
85.10188	16.0
93.07050	0.9
94.67113	0.7
95.08628	1.6
97.02885	1.3
97.06501	0.8
97.10158	2.4
99.04483	1.0
99.11743	2.0
105.07021	1.1
109.02884	39.4
109.10149	0.8
110.03207	1.0
113.06021	0.9
115.03934	10.5
119.08626	1.2
123.04424	3.1
127.03923	100.0
128.04263	1.1
133.10182	1.1
137.09612	1.4
141.05481	4.8
155.07024	3.7
161.13348	0.9
165.09160	0.8
169.08630	6.8
183.10161	10.6
197.11777	8.8
211.13329	7.9
211.63484	0.8
225.14790	8.0
239.16451	10.2
253.18011	10.3
267.19614	9.7
281.21149	7.5
291.52829	0.9
295.22656	7.3
301.82190	0.8
309.24188	5.2
323.25836	6.4
337.27319	5.8
337.99854	0.9
351.28769	1.2
393.33679	24.7
410.48993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98321	2.4
52.88823	2.1
55.01860	2.5
55.05507	13.3
56.05885	2.0
56.96570	1.9
57.07066	9.4
65.03922	2.6
67.05505	25.1
69.07064	22.4
69.55256	2.1
71.08619	2.3
71.61601	2.3
77.65820	2.3
79.05489	17.2
81.06576	2.7
81.07056	55.5
83.08621	14.6
85.06554	3.0
91.05488	16.7
93.07049	30.2
95.08611	100.0
97.10202	6.9
105.07032	33.5
107.08602	45.0
109.06519	3.4
109.10154	39.8
111.11744	2.6
117.07031	7.0
119.08578	42.3
119.09344	3.3
121.06574	2.4
121.10157	40.5
123.08100	2.8
123.11706	19.4
128.06262	4.3
129.06990	4.4
131.08571	22.0
133.10130	27.2
135.11710	22.9
137.13269	17.3
143.08577	16.8
145.10120	28.6
147.11682	27.1
149.13266	23.2
151.14848	3.9
155.08568	2.5
157.10120	14.0
158.10875	2.2
159.11714	31.8
161.13252	13.1
163.14850	19.8
169.10234	4.7
171.11673	16.0
173.13245	18.2
175.14818	18.0
177.16418	17.2
179.17973	2.5
181.09912	2.8
183.11728	2.6
183.44072	2.0
185.13275	10.5
187.11084	2.3
187.14836	23.1
189.16350	16.1
191.17989	10.0
197.13330	5.6
199.14798	11.0
201.16403	15.6
203.17943	21.8
205.19576	5.5
211.14935	2.7
213.16463	17.9
215.17986	16.1
217.19565	7.9
225.16376	2.9
227.17953	8.7
229.19650	9.0
231.21156	4.3
239.18124	3.9
241.19518	14.8
243.21179	8.8
251.18248	2.6
253.19841	4.6
255.21078	19.8
257.22617	3.8
269.22598	10.9
281.22513	2.6
283.24323	3.6
285.95761	2.1
297.25574	12.4
309.25656	2.6
323.27457	4.0
375.20810	3.9
375.30554	5.2
393.22372	16.2
393.27094	12.0
393.31366	9.6
393.35373	91.2
394.35733	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	393.315
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
53.03946	3.0
54.15521	1.4
55.05505	8.3
57.07057	4.5
65.03897	2.1
67.05505	20.6
69.07069	14.1
71.08633	2.4
79.05499	17.7
81.07063	43.0
83.04985	1.8
83.08610	7.3
85.06541	2.9
86.67515	1.5
87.91887	1.7
89.06026	2.1
91.05482	22.0
93.07047	36.4
95.04971	2.0
95.08609	46.8
97.06547	4.3
97.10165	3.4
98.95469	1.7
101.41622	1.7
105.06372	3.1
105.07034	34.9
107.08593	39.4
109.06509	2.2
109.09432	2.4
109.10155	20.4
111.08067	8.6
117.07004	7.1
119.08578	40.6
121.06517	3.3
121.10143	30.2
123.08053	6.5
123.11705	7.1
125.09637	1.8
128.06155	1.6
129.06972	5.9
131.08560	17.5
133.08597	2.2
133.10117	23.5
135.08067	2.5
135.11697	13.2
137.09639	3.9
137.13290	9.3
139.07552	1.6
142.07756	1.9
143.08621	10.0
145.10130	27.2
147.08064	3.3
147.11691	18.0
149.09631	3.5
149.13272	28.7
151.11246	2.2
151.29463	1.4
155.08543	3.2
156.09402	2.0
157.10136	11.5
159.11682	17.4
161.09650	3.7
161.13263	13.4
163.11172	3.9
163.14835	38.7
165.77898	1.5
169.10089	5.4
170.10800	1.7
171.11679	7.8
173.09618	2.2
173.13234	14.7
175.14873	12.6
177.16394	7.1
178.07433	1.6
183.11716	4.9
185.13245	11.9
187.11191	1.9
187.14835	29.0
189.12790	2.5
189.16374	9.4
191.14256	2.0
195.11646	3.9
197.13245	6.0
199.14821	6.7
201.12827	2.5
201.16415	11.3
203.14288	3.8
203.18005	9.3
209.13297	4.2
211.14845	5.0
213.16406	9.5
215.14499	2.4
215.17953	12.1
217.19524	3.8
219.17432	3.5
223.14894	4.0
225.16393	5.1
227.18002	7.2
229.15849	2.1
229.19528	4.6
237.16490	2.0
239.17905	4.5
241.19458	2.3
243.17491	5.0
243.21149	2.8
251.18024	4.1
253.19510	2.8
255.17712	1.7
255.21068	8.5
260.41928	1.7
265.19498	2.3
269.19049	12.2
269.22681	5.3
279.21146	4.3
281.22638	1.8
297.22156	9.6
305.22757	2.5
319.24261	2.1
323.23697	2.9
353.72156	1.8
375.29990	27.8
384.71399	1.7
393.31476	100.0
394.31625	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05508	14.8
57.03421	1.7
57.07076	25.7
57.47167	1.5
65.03948	2.5
67.05505	35.4
67.85406	1.5
69.07067	26.9
69.37601	7.2
69.38029	6.1
71.08626	13.6
77.51826	1.7
78.23547	1.5
79.05491	21.1
81.07057	58.3
83.08618	16.5
85.10194	9.6
89.06043	3.8
91.05482	16.3
93.07047	45.1
95.04960	2.0
95.08607	100.0
97.06517	2.4
97.10186	8.8
98.21439	2.8
98.98466	34.3
105.07032	39.5
107.07863	2.5
107.08597	47.3
109.06519	2.2
109.10155	43.3
111.08078	2.6
111.11763	3.1
115.59254	1.6
117.07021	6.4
119.08583	53.5
119.09450	2.6
121.06501	16.2
121.10135	38.4
123.08060	3.9
123.11691	17.0
128.06200	2.0
129.07011	4.4
131.08542	13.9
133.06477	3.4
133.10129	23.3
135.08051	7.8
135.11700	23.1
137.09631	4.7
137.13283	11.3
142.07805	2.9
143.08559	6.7
144.09335	2.2
145.06421	2.1
145.10106	26.9
147.08051	19.3
147.11685	17.8
149.09578	8.5
149.13269	33.4
151.14841	2.9
155.01042	51.1
155.08501	2.2
156.09415	2.0
157.10118	7.9
159.08089	3.9
159.11737	16.8
161.09641	28.3
161.13271	16.3
161.61278	1.6
163.11172	7.2
163.14832	23.7
165.12811	2.8
165.16406	2.7
169.10144	2.6
170.10832	1.7
171.11702	8.2
173.09644	4.1
173.13243	18.1
175.11205	3.8
175.14821	27.4
177.12764	3.7
177.16399	17.5
183.11636	2.5
185.09607	1.6
185.13284	7.4
187.11208	5.5
187.14816	28.8
189.12749	22.2
189.16380	21.4
191.14322	3.8
191.17955	9.0
195.12079	2.7
197.13197	2.1
199.14880	7.4
201.12750	3.4
201.16432	12.0
203.14288	6.9
203.17949	17.6
205.19591	3.4
213.16382	5.7
215.14334	19.2
215.17894	11.5
217.15921	3.9
217.19560	6.1
219.17430	3.8
223.14815	2.4
227.17935	4.8
229.15904	4.7
229.19563	6.4
231.21027	4.4
239.17845	2.4
239.23737	3.8
241.19481	5.5
243.17436	3.8
243.21126	5.8
245.22649	2.9
245.36266	1.8
251.17920	2.9
253.19453	2.5
255.17488	1.7
255.21075	5.8
269.22678	5.7
271.24326	1.9
279.21207	2.7
283.23929	1.9
297.22107	9.6
297.25677	4.0
305.22684	1.8
323.23679	3.0
323.27390	1.9
375.30243	9.9
393.31421	62.2
393.35370	23.6
394.31415	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.0
55.05507	30.4
57.07072	13.9
65.03935	6.8
67.05511	49.0
69.07066	26.0
70.19401	18.7
71.04977	5.1
79.05499	45.6
81.07059	85.6
83.05014	5.3
83.08622	15.5
85.06570	5.8
87.04433	4.5
91.05480	62.4
93.07050	99.3
95.04982	42.1
95.08604	87.5
97.06538	16.1
97.10165	4.5
98.98449	6.4
103.05463	5.4
105.06367	8.6
105.07034	100.0
107.08587	64.3
109.06493	17.8
109.10163	42.2
111.08099	4.6
115.05433	9.1
117.07043	21.2
119.08584	98.2
121.06527	23.7
121.10148	49.1
121.33475	4.1
123.08093	10.5
123.11697	14.1
128.06262	8.8
129.07025	16.8
130.07770	10.4
131.08574	49.8
133.10126	54.7
135.08051	7.4
135.11732	26.2
137.09579	6.6
141.07042	9.4
142.07782	23.8
143.08559	40.9
144.09344	12.7
145.10136	68.4
147.11668	29.3
149.09561	7.6
149.13243	9.1
154.07805	4.6
155.01060	5.9
155.08548	15.9
156.09338	15.7
157.10147	63.8
158.07281	5.1
158.10959	6.6
159.11693	49.7
161.09634	15.9
161.13255	14.7
167.08589	10.0
169.10187	22.7
170.10817	6.1
171.11720	31.6
172.12505	7.9
173.09750	4.1
173.13321	25.3
175.11259	10.8
175.14874	18.6
181.10120	12.8
183.11740	14.2
185.13271	15.7
187.11221	8.1
187.14871	14.4
189.16403	5.3
193.10239	5.5
195.11722	12.4
197.13258	14.1
199.11136	6.7
199.14897	11.1
201.16409	14.3
203.17888	5.7
206.10965	6.6
207.11691	9.5
208.12384	6.7
209.13301	14.0
211.14807	12.3
213.16345	6.3
215.17989	6.0
221.13319	5.7
223.14873	5.7
235.14810	5.9
239.17764	5.2
253.15810	5.5
275.49847	5.8
281.19131	6.2
304.26352	5.4
375.32507	6.0
393.27191	9.0
393.31451	10.3
393.35431	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	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
54.15225	1.1
55.05513	11.6
57.03444	5.2
57.07077	36.5
58.74808	1.0
67.05166	1.4
67.05505	21.9
69.07072	17.2
69.33559	2.6
69.33961	5.7
71.08632	24.4
73.00718	1.0
79.05492	7.4
81.07059	40.2
83.04967	1.0
83.08633	15.4
85.06541	1.5
85.10185	13.7
91.05479	6.7
93.07050	10.8
94.98426	1.1
95.04984	2.1
95.08610	50.6
96.08951	1.3
97.06520	1.4
97.10184	10.2
98.20676	2.1
98.98468	66.5
99.11706	1.2
102.83961	0.9
105.07053	10.0
106.69273	0.9
107.08602	14.4
109.06469	1.0
109.10159	20.0
111.11708	2.0
116.65910	1.0
116.99506	1.1
117.06998	2.2
119.08575	11.4
120.08799	1.1
120.39819	1.2
121.10155	12.2
123.08010	1.0
123.11702	11.4
125.13274	1.6
129.06966	1.4
131.08553	5.5
133.10139	5.3
135.11726	6.9
137.09636	1.2
137.13231	9.5
143.08549	2.9
145.10109	5.9
147.11700	5.7
149.13231	8.2
151.14757	2.0
155.01042	100.0
157.10139	4.0
159.11650	5.4
161.13261	4.8
163.14842	5.0
165.16409	1.8
171.11710	3.2
173.13287	5.0
175.14787	3.4
177.16444	3.9
179.17981	1.1
183.11673	1.2
185.13251	2.2
187.14839	7.7
189.16382	4.5
191.18018	2.5
199.14807	3.5
200.49965	1.0
201.16409	4.3
203.17958	3.6
205.19611	2.1
211.14854	1.3
213.16396	4.4
215.17952	4.6
217.19495	1.6
225.16225	1.0
227.18027	1.7
229.19521	3.9
231.21111	1.5
239.23703	6.2
241.19527	2.4
243.21078	4.3
255.21075	3.9
257.22537	1.6
269.22601	3.3
351.30350	1.3
375.32559	1.9
393.31476	2.6
393.35306	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09652	1.5
55.05506	6.0
56.96571	2.3
57.07066	2.2
63.24016	1.7
67.05501	11.0
69.07057	7.8
71.04994	2.6
71.61325	1.8
79.05486	8.1
81.07056	20.2
83.08600	4.3
85.06536	1.9
91.05499	9.9
93.07051	14.9
95.04966	3.1
95.08606	26.9
97.06501	2.8
97.10170	2.9
105.07045	16.6
107.08611	18.5
109.10155	14.5
117.07030	2.5
119.08577	23.4
121.06491	2.8
121.10181	12.1
123.04343	2.0
123.11715	5.6
124.36124	2.2
129.07027	3.5
131.08578	10.5
133.10126	12.0
135.11688	8.1
137.09660	3.0
137.13220	3.3
142.07695	2.2
143.08585	10.1
145.10167	13.1
147.11707	9.1
149.13269	6.2
155.08549	3.7
157.10165	11.9
159.11691	12.9
161.13237	5.5
163.14879	3.0
169.10107	5.7
171.11678	8.4
173.13268	10.4
175.14835	5.1
177.16331	5.2
183.11720	5.2
185.13289	4.6
187.14836	15.8
189.12753	3.3
189.16356	5.0
195.11769	2.6
197.13155	2.9
199.14813	7.5
201.16356	12.0
203.17995	4.0
209.13284	4.6
211.14885	2.7
213.16362	5.9
215.18068	2.6
217.19481	2.7
223.14838	2.7
225.16440	2.7
227.17906	2.6
239.17993	8.4
241.19539	2.0
253.19472	2.4
297.22070	9.1
305.22543	3.0
312.01257	1.9
321.25772	3.4
323.23599	2.4
347.95605	1.8
375.25342	4.3
375.30200	6.7
393.26102	100.0
393.31430	28.3
393.35257	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	393.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04206	70.6
121.94623	33.0
127.41956	27.7
137.08583	31.5
220.58167	27.8
256.61130	30.9
314.90414	31.4
393.07510	100.0
393.13022	32.7
414.30917	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	393.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	30.3
61.31524	6.8
66.22665	6.4
69.03431	26.1
69.83952	42.5
71.88154	8.6
79.03503	6.3
81.03413	8.7
84.96037	10.3
85.02918	41.2
97.02911	34.8
98.81407	6.6
98.97583	85.6
99.04460	9.9
101.00887	15.7
109.02914	7.6
110.97592	25.4
111.52644	6.8
112.99116	7.7
115.02418	11.9
116.98638	22.5
119.01913	18.7
119.23071	9.5
127.03908	17.1
128.98619	13.1
131.01917	22.9
133.03467	17.9
136.06128	8.9
143.01921	16.7
143.05630	6.6
145.03453	23.6
146.99648	10.1
147.05063	19.1
155.01926	28.9
156.97523	34.4
157.03448	14.3
158.99684	26.3
159.03127	14.1
159.05034	17.4
161.02943	21.8
169.03415	10.3
170.99692	10.1
171.05054	22.6
173.02998	24.0
173.06627	14.5
174.98555	17.6
175.02985	8.5
175.04547	18.3
177.00729	12.8
180.97475	9.5
182.03249	7.2
183.05124	14.1
185.02946	12.0
185.06596	17.1
187.04503	14.5
189.04500	13.4
189.06108	24.2
191.03908	12.1
198.98569	48.6
201.00661	15.9
201.06116	25.6
203.04063	23.3
207.05183	8.6
211.04558	8.6
213.06142	12.8
216.99623	12.6
219.01778	47.3
221.05124	42.5
222.98651	14.2
225.00146	8.0
225.06290	10.1
231.05289	12.6
231.07358	12.0
234.98611	25.8
237.02800	43.5
245.05162	23.4
259.06598	14.7
261.08206	23.1
275.09424	10.0
279.09232	30.0
283.00595	10.2
283.54398	7.1
287.09747	12.3
291.00378	8.2
291.04544	6.8
291.07098	9.0
291.09256	30.9
301.01437	11.2
309.08710	12.7
315.09393	7.6
333.10199	22.6
351.06100	16.3
351.11172	20.3
393.03595	13.4
393.07919	51.0
393.13022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.56189	0.3
55.83261	0.3
69.60373	0.4
70.72812	0.9
70.92819	0.3
98.97591	0.7
107.08630	0.4
109.10161	0.5
133.10118	0.4
137.56668	0.3
167.07030	0.5
237.53018	0.3
267.67889	0.4
379.40790	0.4
393.18820	100.0
394.19159	3.1
418.37695	0.4
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
57.03440	2.6
58.70195	2.3
59.18414	2.4
69.03415	5.9
69.07077	5.7
69.78960	7.9
69.79377	6.3
71.04939	3.1
72.08137	2.6
79.05489	4.5
85.02898	12.3
87.00871	2.4
91.05489	11.4
93.07042	3.5
95.04964	2.5
98.21418	3.2
103.05437	3.3
103.71069	2.4
105.07039	5.3
107.04951	41.1
109.06525	2.4
109.45599	2.2
125.09631	2.2
135.08046	9.3
149.57640	2.4
154.06239	3.6
163.07530	24.0
167.07040	35.9
195.10170	100.0
213.11200	19.0
230.11661	2.7
234.47375	2.3
342.10904	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	393.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
53.06295	0.5
55.01862	0.8
56.96563	3.0
57.03423	1.6
61.02915	1.3
69.03429	6.3
69.30401	1.3
69.30813	4.5
71.04978	0.7
73.02912	1.9
77.00894	0.7
81.03420	2.2
81.68451	0.6
85.02909	9.3
85.03411	0.8
87.04472	0.8
97.02891	8.4
98.03148	0.7
98.20716	1.1
98.97576	6.9
99.04484	0.7
101.00889	3.8
107.04960	1.3
109.02880	2.6
110.97544	1.2
113.00864	1.2
115.02431	1.4
115.03959	0.9
116.98621	1.9
119.01929	5.1
120.95395	1.2
126.38101	0.5
127.02395	1.0
127.03929	2.6
128.98624	2.0
131.01898	4.8
133.03499	1.6
135.04323	1.0
136.06177	1.6
138.96390	3.7
143.00114	0.9
143.01883	3.6
145.03479	2.1
145.04959	1.2
146.99599	0.7
147.04291	1.1
155.01862	4.4
156.02611	0.9
156.97475	33.1
157.03481	2.1
157.97408	0.6
158.99622	1.3
159.03658	0.6
159.04951	2.8
161.01210	0.8
161.02960	5.5
161.04231	0.8
163.03845	1.5
170.99611	1.2
171.03424	0.5
171.04974	3.6
173.02931	3.6
173.06648	1.4
174.98537	23.4
175.04510	0.6
176.03255	0.6
177.00708	1.3
177.06044	0.9
179.99063	0.6
180.97467	8.8
182.98997	4.7
185.01260	0.8
185.02988	2.1
185.06670	1.1
187.04482	1.1
189.04416	0.6
189.06024	1.4
191.03889	2.0
192.97414	1.0
194.99068	3.6
196.96964	0.7
198.98532	71.5
199.98630	1.2
201.00133	3.8
201.06036	1.0
203.02336	0.9
203.04059	2.1
203.07645	1.1
204.97534	1.0
205.05524	0.7
206.99045	0.8
209.00742	1.1
210.98572	6.9
213.00072	7.3
216.97508	4.2
216.99619	18.6
219.01680	3.4
221.03076	0.9
221.05061	6.8
222.00114	1.2
222.98555	10.5
223.04353	0.7
225.00130	6.5
228.99681	2.8
231.05214	1.2
231.07190	0.9
234.98518	29.1
235.04570	2.0
235.98866	0.8
237.00500	1.0
237.02841	3.5
237.05023	0.9
240.99561	7.1
242.97536	0.7
243.01236	2.7
243.07234	0.6
245.05125	2.1
247.04727	0.7
248.99879	0.6
249.02803	0.9
252.99576	9.7
253.05525	0.9
257.05850	0.7
258.00198	0.7
259.00565	0.8
259.06796	0.8
261.00162	0.9
261.08313	3.3
264.99515	3.6
271.00665	1.6
275.09799	0.7
279.09296	9.3
283.00659	16.1
284.00827	0.7
285.00073	1.2
285.08032	0.8
287.09720	0.8
293.10959	1.0
295.06781	0.7
301.01666	13.2
303.00961	0.6
303.07144	1.3
312.07883	1.1
315.01633	0.8
321.02264	1.4
324.03006	0.8
333.10406	1.1
351.09875	0.9
375.11569	1.0
393.04404	36.7
393.13644	100.0
394.04715	1.4
394.13950	0.7
411.05170	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66876	2.2
58.79464	2.3
61.02908	2.2
63.64285	2.1
69.07056	3.2
69.67330	6.9
69.67742	4.8
70.06573	3.4
73.02914	3.5
79.05473	4.0
81.03387	2.0
85.02895	9.9
86.09698	3.4
91.05475	2.1
97.02915	2.5
98.97585	4.2
103.05463	5.6
105.07025	4.4
107.04289	2.9
107.04958	47.2
107.08592	2.2
124.05215	2.5
135.08044	11.5
139.95963	2.1
145.04962	2.3
147.04376	2.2
149.02339	5.4
163.07539	42.6
167.07033	100.0
173.25105	2.0
180.08582	2.3
195.10187	28.9
199.37067	2.1
213.11214	99.3
262.99518	2.2
392.18918	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	391.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01851	1.6
57.07078	13.5
67.05486	3.7
69.07065	3.1
70.29134	1.5
71.08630	13.0
79.05492	20.3
81.07050	12.5
85.10188	4.4
89.06010	2.2
93.07049	3.4
94.26650	1.7
95.08635	1.9
97.06524	9.4
97.49754	1.7
98.21493	5.0
98.40472	1.7
107.04971	2.6
113.06013	4.6
121.10139	1.9
125.05997	49.3
125.06953	2.5
133.45955	1.7
139.07547	20.3
143.07047	16.0
149.02382	12.8
153.09122	7.9
165.51851	1.7
167.10709	7.7
181.12207	7.4
195.13834	6.0
209.15402	4.5
223.17082	2.4
237.18623	1.9
251.20004	3.2
265.21594	3.8
335.29865	1.7
391.35727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05508	15.6
57.07071	9.3
59.37314	1.6
62.56631	2.0
67.05503	27.1
69.07066	25.9
69.37870	13.9
71.04974	1.9
71.08626	4.4
79.05484	13.6
81.07054	44.0
83.08626	16.5
91.05477	11.3
93.07051	25.3
95.04958	4.7
95.08603	66.6
97.06531	2.9
97.10168	7.4
98.20669	3.5
98.98460	2.3
105.07013	19.6
107.08579	28.0
109.06564	2.0
109.10162	29.3
111.11696	2.3
117.07019	4.3
119.08576	34.2
121.02869	1.5
121.10146	23.3
123.11718	12.8
128.06227	2.3
129.07008	4.6
131.08569	13.7
133.10121	23.1
135.11664	14.1
137.13307	8.4
141.07024	2.8
142.07788	3.5
143.08559	24.5
145.10123	42.8
147.11723	11.1
149.02353	16.9
149.13272	11.2
151.14830	2.5
154.07771	2.0
155.01013	3.6
155.08574	7.2
156.09315	2.8
157.10118	18.6
158.10834	1.8
159.11670	30.8
161.13254	9.5
163.14764	8.6
165.16504	1.9
169.10107	14.8
170.10922	2.9
171.11671	22.1
172.12408	1.9
173.13277	13.2
175.14790	10.5
177.16444	5.8
182.10931	2.3
183.11707	14.1
184.12476	2.4
185.13240	16.6
187.14819	31.9
189.16461	6.5
191.18031	8.9
195.11830	3.5
196.12418	2.4
197.13284	10.1
199.14821	10.3
201.16371	17.8
203.17950	5.3
209.13315	3.5
211.14867	11.1
213.16371	23.4
215.18015	5.5
217.19548	3.0
223.14841	2.0
225.16460	7.6
227.17934	7.6
229.19597	3.2
231.21173	2.2
237.16347	3.7
237.22235	2.1
239.17902	16.2
241.19504	11.9
251.17920	2.3
253.19556	12.0
255.21135	4.1
267.21078	10.0
269.22598	3.2
279.21045	3.2
281.22806	4.1
293.22620	2.8
295.20950	1.4
295.24179	33.5
295.27185	2.9
307.24289	2.4
309.25601	1.8
321.25708	10.0
373.31189	3.0
391.29184	5.1
391.33618	100.0
392.33914	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	391.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01877	10.9
55.05511	22.3
56.44584	1.4
56.46345	1.4
57.03426	5.9
57.06810	2.0
57.07073	22.4
64.36308	1.3
65.03930	1.9
65.08018	1.2
67.05508	24.5
69.07069	40.6
69.71530	8.4
71.08631	16.3
79.05494	7.6
81.03418	13.3
81.07058	32.1
83.04971	2.6
83.08622	28.3
85.10178	8.2
89.06029	1.7
91.05476	6.4
93.07051	8.1
95.04961	3.0
95.08040	2.2
95.08608	34.1
97.06544	1.5
97.10168	18.0
98.21559	2.1
105.07021	7.5
107.08622	8.5
107.09245	1.6
109.02881	25.8
109.06492	2.3
109.10162	19.8
111.11720	10.6
115.03964	6.7
117.07034	1.5
119.08588	5.7
121.02924	1.3
121.10134	7.2
123.04452	2.4
123.11725	9.5
125.13245	4.5
127.03918	100.0
131.08556	4.5
133.10141	4.3
135.08031	1.8
135.11702	5.2
137.09605	1.5
137.13211	3.8
141.05463	7.0
145.10130	4.6
147.11668	4.7
149.02361	15.5
149.09598	2.0
149.13225	2.8
151.11165	3.9
153.05402	1.7
155.07039	3.7
157.10149	1.4
159.11736	3.8
161.13257	1.7
163.14796	3.4
165.09225	1.5
165.12759	1.7
169.08624	7.1
173.13257	1.8
177.16350	1.8
183.10175	17.1
185.13177	1.7
187.14767	3.3
191.17941	1.5
195.10216	4.5
197.11778	7.3
199.14655	1.5
201.16161	1.7
203.17744	1.4
205.03142	1.3
209.11696	4.4
211.13286	4.8
213.16362	1.6
223.13232	3.2
225.14783	2.7
237.14789	4.7
239.16425	5.1
251.16429	4.2
253.17838	7.0
265.18018	5.4
267.19595	2.7
279.19724	3.1
281.21082	2.4
293.20984	2.1
295.22662	2.5
307.22583	2.1
309.24133	1.9
324.15109	1.3
335.25958	2.9
373.30789	3.7
373.34778	2.3
391.31726	19.2
391.35641	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	391.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01876	11.7
55.05511	19.5
56.47467	1.0
57.03449	5.1
57.06816	1.5
57.07077	20.8
67.05506	15.3
69.07069	36.3
69.51982	7.4
71.08632	13.0
79.05495	5.9
79.14896	0.9
81.03424	13.3
81.06633	1.8
81.07060	23.5
83.08136	1.3
83.08620	26.5
85.10185	6.0
91.05463	3.6
93.07055	5.7
95.04926	1.3
95.08603	24.4
97.10168	13.3
99.04454	1.9
99.11750	1.1
100.77960	0.9
105.07037	3.5
107.08591	5.0
109.02878	31.1
109.06535	1.1
109.10159	14.6
111.11723	9.5
113.05972	1.2
115.03918	7.8
119.08564	2.5
121.10146	3.3
123.04364	1.3
123.08062	2.2
123.11732	5.6
125.13272	3.8
127.03916	100.0
131.08562	3.2
133.10132	2.5
135.08058	1.9
135.11650	2.3
137.06042	1.3
137.13260	3.6
139.14818	1.8
141.05449	5.8
143.08519	1.2
145.10181	2.4
146.55609	1.0
147.11726	2.3
149.02362	5.7
149.09610	2.2
149.13217	1.9
151.11183	2.4
151.14828	2.0
155.06952	2.5
159.11707	2.1
169.08611	7.0
183.10159	18.2
195.10136	6.3
197.11745	6.9
201.16356	1.1
209.11697	3.3
211.13315	5.5
223.13263	2.8
225.14766	3.5
237.14822	3.9
239.16359	6.7
251.16457	3.7
253.17928	6.1
255.20839	1.0
265.17957	6.3
267.19513	2.8
279.19577	2.7
281.21082	2.0
293.21280	1.6
295.22583	2.0
309.24283	3.5
321.24277	3.1
335.25732	3.3
373.30994	2.2
386.92447	1.0
391.31903	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05498	1.7
56.96559	1.9
57.07058	1.4
61.02914	1.3
66.52304	0.6
67.05504	4.8
69.07073	3.3
69.63657	1.2
69.64063	4.1
71.08639	1.1
73.02909	0.7
79.05499	3.3
81.07053	6.9
83.08627	1.7
85.02912	1.4
91.05479	2.7
93.07053	4.3
95.08609	7.2
97.06548	0.8
105.07034	5.6
107.08568	4.9
107.50940	0.7
109.10148	4.0
117.06995	0.9
119.08578	6.0
121.06483	0.7
121.10142	3.8
123.08051	0.9
123.11695	1.5
129.07005	0.8
131.08559	2.1
133.10172	3.7
135.11668	2.1
137.13283	0.9
143.08537	2.2
145.10144	4.7
147.11694	2.2
149.02357	9.2
149.09579	0.7
149.13266	2.5
155.08546	1.2
156.09422	0.6
157.10120	2.7
159.11739	3.8
161.13235	1.7
163.14786	1.4
167.03476	0.7
169.10146	2.0
171.11737	3.1
173.13283	2.4
175.14816	1.3
177.16394	1.5
183.11728	2.1
185.13274	1.8
187.14873	3.7
191.17943	1.0
197.13304	0.8
199.11365	0.7
199.14824	1.7
201.16330	3.0
208.12726	0.7
211.14893	1.4
213.16402	2.0
225.16463	1.2
227.18083	1.1
235.07028	0.7
235.43562	0.9
239.17929	1.5
241.19482	1.6
253.19608	1.3
267.09006	1.8
267.21140	0.9
285.10135	3.8
286.10681	0.8
295.24252	2.4
321.25763	1.3
373.23584	1.3
373.28223	0.7
391.24557	100.0
391.32721	11.1
392.25058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.05504	1.8
56.96553	4.9
57.03450	2.4
57.07066	3.5
67.05491	4.3
69.03414	5.7
69.07071	1.7
71.05013	1.4
71.61623	2.2
73.02918	2.0
78.10202	1.4
79.05499	2.3
80.67009	1.7
81.03436	1.7
81.07059	4.5
85.02914	8.1
85.06555	1.9
86.09704	7.6
91.05482	3.0
91.42561	1.4
93.07034	3.8
95.04966	3.3
95.08611	5.5
97.02896	5.2
98.97577	3.9
99.04514	1.7
105.07036	5.4
106.61222	1.4
107.05033	1.8
107.08573	3.5
109.02857	2.0
109.06551	1.7
109.10189	3.6
110.97623	2.0
111.04413	1.8
115.05515	1.6
116.98641	2.0
117.07020	1.6
117.37265	1.4
119.08580	5.1
121.06487	2.1
121.10178	1.9
123.11765	1.5
124.07535	1.6
125.09667	3.4
127.03851	3.6
128.98569	2.4
129.07036	1.7
130.06529	51.4
131.08588	1.8
132.04460	4.3
132.10150	3.1
133.10123	3.4
135.08058	1.6
135.11670	2.7
136.94891	1.8
137.05989	6.5
143.11787	3.4
145.10159	1.7
146.06084	1.4
149.02342	25.1
149.06009	1.9
151.03839	1.7
156.06871	1.4
157.07616	100.0
158.06032	7.4
159.09213	2.5
159.11667	1.5
161.05975	6.1
165.06888	1.6
167.03358	3.1
167.07062	5.6
175.08719	4.9
175.14856	4.3
181.08472	2.5
181.51593	1.5
185.07106	29.2
185.08615	2.8
187.08685	5.2
189.09111	5.0
189.12491	1.6
193.15863	2.0
195.10335	1.6
203.08157	2.2
207.10194	2.1
211.16943	2.2
214.09770	25.2
219.01840	1.4
224.67369	1.4
225.06537	3.4
237.02818	1.9
239.08220	3.2
242.09248	18.7
243.07521	1.5
255.84964	1.7
260.10269	6.3
267.07593	4.0
269.09085	2.2
275.08823	1.6
295.07370	2.2
297.08984	1.9
310.08881	2.6
341.07764	5.8
359.08621	2.8
373.18707	43.5
391.11703	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05492	4.0
57.35810	1.3
65.03935	1.6
67.05488	6.2
69.03433	7.1
69.07052	5.6
71.04970	2.0
71.08623	2.0
71.61433	2.3
77.37933	1.3
78.04708	1.5
78.86947	1.5
79.05473	5.6
81.03407	2.5
81.07058	11.0
83.04961	2.5
83.08647	1.9
85.02916	2.2
91.05489	7.4
93.07026	5.7
95.04966	3.1
95.08611	14.9
97.02847	1.7
97.06512	4.4
98.97560	1.8
103.05441	1.6
105.07053	8.0
107.05008	1.7
107.08617	7.7
109.06496	2.6
109.10184	9.1
110.61604	1.4
117.06959	1.8
119.04910	3.3
119.08579	9.3
121.06495	3.2
121.10123	6.6
123.04404	5.9
123.08060	1.3
123.11690	5.4
124.05171	2.1
129.06993	1.6
131.04912	2.7
131.08565	4.1
133.10130	8.1
135.08070	2.0
135.11713	4.8
137.05980	12.9
137.13243	2.3
143.08543	4.1
145.10144	7.4
147.11682	3.8
148.05237	1.5
149.02344	17.6
149.05957	1.6
149.13217	2.7
151.03957	1.6
151.07501	6.4
155.08557	1.6
156.07219	1.3
157.10117	4.4
159.11673	5.8
161.05991	2.0
161.09593	2.1
161.13255	3.1
161.18340	1.3
163.07462	1.7
167.07045	100.0
169.10150	2.6
171.11673	3.4
173.13217	5.1
175.14845	3.4
177.05490	1.7
177.16426	1.8
179.06979	1.6
181.08572	6.6
181.10075	2.5
183.11708	1.9
185.13222	3.2
187.11334	1.7
187.14761	3.6
189.16473	2.8
193.08615	3.2
197.13263	1.9
199.14793	2.0
201.12680	1.8
201.16374	3.7
201.64075	1.3
207.11737	2.4
209.08046	6.7
211.09639	3.0
211.14931	2.6
213.16402	3.4
219.95200	1.4
223.14745	1.9
237.08905	1.7
237.16408	8.4
277.19498	2.3
295.20566	1.6
373.16449	1.9
373.27850	1.5
391.11761	2.1
391.21307	3.2
391.29147	3.0
391.33966	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99440	6.0
55.05501	10.2
67.05508	12.4
69.03426	9.6
69.37827	46.7
71.04996	23.4
71.08633	11.4
73.02932	6.5
73.67963	6.4
79.05485	24.2
81.07069	27.3
85.02906	28.0
90.25354	6.6
91.05473	21.1
93.07047	20.9
95.04932	9.3
95.08606	14.4
97.02927	8.2
98.97587	24.6
99.04456	7.6
105.07048	44.4
107.04941	15.5
107.08603	12.3
109.06526	7.3
109.10163	9.5
116.98630	8.6
117.07014	10.0
119.04980	14.3
119.08598	18.2
121.06471	8.6
121.10133	10.8
125.09608	6.7
129.07054	6.9
131.04927	7.3
131.08572	11.4
133.06487	12.7
133.10115	10.7
137.05980	43.9
137.52377	7.5
143.08609	7.6
145.10115	8.7
147.04401	17.4
147.11656	10.1
149.02353	100.0
150.06764	9.7
151.03886	13.7
153.05397	7.5
159.11769	7.8
159.89699	6.4
161.06000	29.5
163.03845	10.0
165.09082	10.4
166.05026	14.5
166.08641	22.7
167.07051	20.4
173.13260	7.2
179.07074	7.9
181.08618	25.2
189.09106	9.5
193.08646	41.9
195.06415	6.4
207.10222	8.5
211.09824	40.7
211.17091	7.3
217.39323	6.9
219.01860	8.6
235.07205	14.0
237.02837	10.1
239.08224	17.9
241.09773	10.2
257.10281	18.3
267.07761	18.6
267.11209	9.3
269.09198	14.8
271.07242	10.2
295.07251	12.1
295.10330	8.9
297.08759	12.7
313.08487	10.7
313.11795	30.2
317.13412	6.6
323.08008	7.1
341.07870	25.1
359.08536	16.0
359.12445	16.0
373.14148	15.2
391.11334	13.5
391.16669	8.6
407.73511	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	391.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.4
57.07060	2.3
61.00462	1.5
67.05479	2.9
69.03420	3.5
69.07069	2.2
69.51331	1.4
69.63170	11.5
71.08630	3.3
72.17425	1.7
79.05498	4.0
81.07055	2.8
81.42223	1.9
83.04957	2.2
85.02918	3.2
85.06546	3.8
91.05488	8.6
93.07059	4.3
95.08600	3.3
97.02967	1.9
98.97584	3.5
103.05489	2.8
105.07037	6.2
107.04964	7.0
107.08598	2.9
117.07045	2.1
119.04970	4.8
119.08608	2.2
121.06503	5.5
128.06253	3.2
129.06996	5.7
131.04926	5.0
131.08574	5.8
133.10146	3.0
135.07988	2.4
137.05981	4.5
145.06523	2.4
146.07277	5.2
147.04372	3.1
147.08159	2.0
148.05267	3.9
149.02351	19.7
151.03894	2.2
151.07550	3.4
153.05460	2.5
157.06523	2.8
157.10184	1.9
161.05986	100.0
161.09618	25.4
163.07536	5.1
165.05385	2.0
167.07062	19.9
174.06805	5.0
175.07571	6.3
177.09145	1.6
181.04953	2.0
181.08646	11.1
189.09114	56.5
191.07051	3.3
195.07811	2.6
207.10168	59.2
214.49451	1.6
219.10098	1.8
235.13687	1.9
277.26410	1.8
285.11261	4.2
313.08261	2.1
315.12338	2.9
317.13971	4.1
329.13687	2.1
343.15430	2.8
361.16357	2.8
391.10046	6.5
405.46619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
56.96551	2.8
57.03429	1.2
57.07068	4.0
61.02932	1.6
65.03918	1.1
65.93446	1.0
67.05474	1.3
69.03404	3.9
71.04974	1.1
71.08606	1.8
73.02915	1.1
73.38701	0.9
81.03435	5.5
81.07037	2.0
85.02901	12.4
85.06550	25.3
86.09695	3.2
89.03919	1.9
90.30270	0.9
91.05458	4.0
93.07014	1.7
95.04973	1.3
97.02876	3.1
98.97579	6.1
99.04461	2.1
103.03955	1.3
103.05458	1.5
109.02863	2.9
109.06529	1.2
110.97559	1.9
112.73656	1.1
116.98603	3.6
119.01904	1.4
119.04947	1.7
121.02829	1.2
121.06507	4.3
122.03606	1.7
123.04414	1.4
127.03908	3.9
128.98618	1.8
131.04907	1.9
134.03641	2.2
135.04353	2.1
137.05977	27.1
143.00111	1.3
145.04945	1.9
147.04393	3.2
149.02339	20.5
149.05992	10.6
151.93558	1.0
153.05482	1.2
153.06938	1.1
158.99677	1.7
160.07510	0.9
160.31702	1.0
161.05997	2.6
163.03909	6.1
165.05624	1.6
165.07045	1.3
165.09137	1.9
166.09514	1.7
167.03442	2.6
167.07034	4.0
173.02992	1.1
177.00668	1.5
177.05486	2.8
179.06973	2.5
181.06496	2.5
185.02876	1.0
189.88611	1.0
191.07108	1.6
193.04971	3.8
193.08472	1.0
211.09647	1.7
213.09061	1.6
219.01772	3.4
219.06592	1.7
223.07605	1.1
229.07317	1.0
229.10571	1.3
229.12717	1.5
234.99171	1.1
237.02823	3.3
241.08473	1.8
270.09064	1.5
273.11169	6.3
285.11191	2.3
299.09152	2.8
325.10718	1.4
325.92911	1.0
329.10162	3.3
331.10754	1.6
335.18433	1.1
343.11819	2.0
361.13632	1.3
391.15695	100.0
392.16138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03420	3.4
61.02922	3.0
69.03421	6.4
69.45138	7.5
69.45574	6.0
72.88651	1.7
73.84171	1.7
81.03420	3.4
85.02901	24.6
91.05453	2.8
97.02895	7.8
98.97572	5.9
99.04436	1.9
105.06982	3.1
107.04955	100.0
109.02858	2.2
119.08572	2.7
127.03894	5.1
131.04958	2.1
133.06491	74.4
137.05930	2.2
145.04965	4.7
147.04395	5.2
147.08055	30.9
163.03929	6.8
165.09116	2.9
167.07066	1.8
175.07553	67.9
177.00627	1.7
193.05019	1.8
193.08606	54.0
211.09702	19.0
219.01846	3.1
228.12315	5.2
342.76147	2.0
383.36865	1.6
387.59732	1.6
390.18021	6.7
391.15707	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	389.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11441	0.9
53.03937	1.5
55.05504	8.2
57.07072	2.8
57.84396	0.9
65.03949	1.1
67.05506	10.6
67.23779	0.9
69.07068	11.4
69.31887	0.8
69.32215	9.7
78.15306	0.9
79.05480	7.3
81.03413	1.0
81.07060	25.3
83.04977	2.1
83.08607	4.8
89.74791	0.9
91.05492	9.7
93.07052	17.9
95.04971	1.1
95.08611	39.0
97.10176	2.3
98.64192	0.9
105.07033	25.1
107.08601	27.8
109.10159	14.7
109.85859	1.0
111.04436	1.8
117.07027	4.5
119.08576	34.0
121.10152	19.3
123.11710	8.0
128.06204	1.4
129.07018	4.4
130.07797	1.7
131.08569	13.8
133.10135	14.2
135.11685	15.8
137.13297	7.5
141.07030	1.3
142.07756	4.3
143.08572	11.6
144.09309	1.4
145.10126	25.4
147.11690	15.1
147.54303	0.9
149.13263	7.3
153.07068	1.3
155.08559	7.2
156.09332	3.4
157.10130	15.1
158.10811	1.3
159.11699	15.1
161.13257	10.7
163.14865	3.8
165.07021	1.5
167.07170	1.1
167.08604	3.2
168.09312	3.3
169.10132	12.0
170.10921	2.2
171.11699	14.8
173.13242	10.5
175.14825	12.2
177.16411	5.4
179.08440	1.5
180.09683	1.0
181.10150	6.5
182.10905	2.2
183.11694	11.5
184.12381	1.3
185.13264	22.9
185.14832	1.7
187.14821	15.7
189.16386	12.0
191.17975	6.5
193.10159	2.5
194.10846	1.5
195.11688	6.7
196.12344	2.7
197.13248	12.5
198.13884	1.2
199.14816	20.5
201.16360	12.5
203.18002	2.8
206.10773	1.2
207.11751	3.2
208.12424	2.4
209.13213	8.8
210.13927	1.1
211.14816	7.8
213.16394	16.9
215.17996	5.4
217.19563	1.8
221.13264	3.2
221.87585	1.0
222.14053	2.9
223.14798	6.0
224.15424	1.2
225.16341	7.4
227.17966	3.6
229.19498	2.4
232.67268	1.0
235.14818	2.3
236.15685	1.7
237.16437	9.5
238.17123	1.3
239.17975	7.2
241.19563	3.1
249.16432	1.8
251.17960	12.3
252.18626	1.3
253.19543	12.9
255.20964	2.2
261.16312	1.3
263.17990	2.0
265.19562	5.2
267.21072	3.2
277.19568	2.9
279.21127	3.1
281.22675	1.4
291.21167	2.4
293.22632	2.6
305.22778	1.6
307.24149	1.8
319.24338	3.8
331.24170	2.3
333.25729	6.3
346.26416	4.8
347.27444	2.2
361.29080	1.1
374.29581	2.1
389.32031	100.0
390.32498	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	389.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34548	1.1
53.03940	1.5
55.05510	7.6
57.07067	3.3
59.66025	1.1
59.95608	1.0
61.62956	1.0
67.05517	10.9
69.07066	11.7
70.86099	2.3
71.08601	1.2
79.05506	6.3
81.07057	27.4
83.08607	4.4
91.05486	10.4
93.07046	20.2
95.04956	1.1
95.08607	50.1
96.16896	1.1
97.02877	1.2
97.10194	1.8
103.05515	1.2
105.07034	25.5
107.08602	27.6
109.06533	1.6
109.09452	1.3
109.10167	16.7
111.11658	1.0
117.07005	4.5
119.08590	42.2
121.10146	18.0
123.11709	8.8
128.06256	2.0
129.06993	4.4
130.07774	1.5
131.08571	9.9
133.10143	15.4
135.11688	21.3
137.13255	7.6
141.06985	2.0
142.07780	3.1
143.08583	9.3
144.09370	2.0
145.10127	23.7
147.11696	16.6
149.13277	10.5
151.14844	1.5
155.08563	3.6
156.09373	3.4
157.10136	13.5
158.10890	2.3
159.11702	19.2
161.13284	9.2
163.14824	4.6
165.06923	1.2
167.08589	2.9
168.09392	1.5
169.10159	12.2
170.10963	3.2
171.11687	16.7
173.13274	13.2
175.14851	10.7
177.16400	4.9
179.08508	1.5
181.10161	5.7
182.10951	3.7
183.11708	14.6
184.12440	3.1
185.13263	16.8
187.14795	13.3
189.16376	14.3
191.17990	3.2
193.10156	2.2
194.10820	2.5
195.11671	7.9
196.12573	2.6
197.13251	9.7
198.14124	2.2
199.14839	13.4
201.16435	10.5
203.18007	3.3
207.11722	3.3
208.12454	1.2
209.13231	10.8
210.13992	2.0
211.14816	9.8
213.16374	24.4
215.17943	4.8
217.19589	1.5
221.13306	4.4
222.14041	2.7
223.14882	8.0
224.15665	2.0
225.16383	8.4
227.17911	6.1
229.19568	2.0
231.21228	1.2
235.14839	3.7
236.15562	2.7
237.16354	10.7
238.17053	1.6
239.18051	7.4
241.19518	3.7
249.16353	2.1
251.17969	15.1
253.19504	16.5
255.21008	2.2
263.18115	2.8
265.19540	5.2
267.21091	3.3
275.17935	1.2
277.19583	2.6
279.21118	3.1
281.22537	1.2
291.21146	2.3
293.22736	2.8
305.22610	2.1
307.24152	2.8
319.24261	4.6
333.25876	4.0
340.24527	1.1
346.26721	5.9
347.27505	3.2
365.01712	1.3
389.32037	100.0
390.32730	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	389.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05513	8.8
57.07060	3.4
65.03937	1.7
67.05503	13.2
69.07070	14.1
71.08604	0.8
79.05487	8.4
81.07059	30.5
83.04983	1.5
83.08630	4.6
91.05476	13.1
93.07045	24.0
95.04971	2.0
95.08608	54.0
97.02875	0.8
97.10183	1.9
98.21572	1.9
103.05435	0.9
105.07034	32.2
107.08598	32.7
109.06479	0.9
109.10159	17.2
111.04409	1.1
115.05471	0.8
117.07034	3.3
118.90871	0.8
119.08583	47.2
121.10143	21.7
123.08003	1.0
123.11720	10.3
128.06245	1.8
129.06963	4.3
130.07811	1.5
131.08566	13.8
133.10136	15.0
135.11696	26.9
137.13268	10.9
141.07011	1.9
142.07788	3.8
143.08540	12.1
144.09331	1.5
145.10126	30.9
147.11693	20.2
149.13252	10.7
155.08559	6.4
156.09401	4.7
157.10136	16.3
158.10979	2.0
159.11697	18.9
161.13248	10.9
163.14853	3.8
166.07762	1.2
167.08577	2.3
168.09337	2.0
169.10132	14.3
170.10915	4.1
171.11693	12.4
173.13257	13.9
175.14825	12.4
176.37172	0.9
177.16388	7.1
179.08629	2.2
181.10081	7.5
182.10875	4.2
183.11717	16.7
184.12564	2.3
185.13248	19.9
186.14099	1.0
187.14827	13.9
189.16402	15.7
191.17998	3.7
193.10181	2.5
194.10962	2.0
195.11668	8.1
196.12477	2.7
197.13275	14.2
198.13924	1.6
199.14807	16.6
201.16396	13.1
203.17940	2.8
207.11710	3.4
208.12430	1.9
209.13252	12.7
209.82935	0.9
210.14032	1.9
211.14865	9.7
212.15482	1.4
213.16391	27.4
215.17943	6.7
219.11725	1.1
221.13292	3.7
222.14024	2.0
223.14833	9.3
224.15611	1.6
225.16402	10.1
227.17929	5.2
229.19481	1.9
235.14857	2.2
236.15497	1.6
237.16385	12.5
238.17084	2.0
239.17885	8.4
241.19527	2.4
243.21201	0.9
249.16507	2.9
251.17941	13.9
252.18721	1.9
253.19545	16.6
255.21115	2.9
257.22647	1.1
261.16376	1.3
263.18018	2.6
265.19467	5.4
267.21130	3.3
277.19479	3.3
279.21069	2.3
281.22794	1.3
291.21054	1.9
293.22714	2.5
305.22556	2.6
307.24277	3.2
317.22604	1.1
319.24295	3.4
331.24261	2.5
333.25656	4.5
344.65067	1.1
346.26532	7.5
347.27298	3.7
374.29718	1.6
389.32028	100.0
390.32294	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.2
57.07059	4.5
67.05499	10.7
69.07064	11.9
71.11449	3.2
78.98653	1.4
79.05496	5.7
81.07061	28.7
83.08611	5.2
91.05462	4.7
93.07024	9.1
95.08607	41.3
97.10165	3.0
105.07039	10.8
105.47146	1.5
107.08594	9.3
109.10166	15.2
111.11772	1.6
117.06993	3.3
119.08591	14.1
121.10145	9.8
123.04419	1.4
123.11743	7.7
127.03932	3.9
128.06187	2.2
129.07022	2.1
130.07742	3.9
131.08513	3.3
133.10162	7.1
134.91530	1.5
135.08139	1.5
135.11699	6.0
137.13277	13.0
139.48668	1.4
141.06961	1.7
142.07816	8.2
143.08574	9.9
145.10124	100.0
147.11696	4.4
149.13292	4.6
155.08621	1.8
156.09352	10.6
157.10133	33.0
158.10918	2.1
159.11684	13.9
161.13252	4.2
163.14806	2.5
167.08488	1.7
169.10114	14.0
170.10860	4.3
171.11694	30.2
173.13298	6.8
175.14732	1.5
177.16402	2.4
181.10144	2.6
183.11694	10.5
185.13268	6.3
187.14882	2.5
191.17928	2.4
193.10136	3.0
194.10858	2.5
195.11673	5.8
196.12466	1.6
197.13333	3.4
199.14818	37.9
201.16270	2.6
203.17908	2.2
207.11621	1.6
208.12471	1.7
209.13307	10.3
211.14810	5.8
221.13298	1.4
223.14832	6.2
225.16367	5.2
231.21222	3.4
237.16437	9.2
239.17972	7.8
251.17984	14.5
265.19540	3.9
347.27466	2.4
371.29367	1.6
389.31934	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
56.96561	2.8
61.02925	1.0
62.20021	0.8
67.05487	3.8
67.40229	0.9
69.07063	2.3
71.61254	1.1
79.05486	2.0
81.03430	1.2
81.07056	5.8
83.04998	1.2
83.08623	1.3
85.02917	1.4
85.06522	1.0
91.05463	2.3
93.07037	2.7
95.04974	2.2
95.08591	6.7
97.06532	0.9
103.76251	0.8
105.07022	3.2
107.08574	3.2
109.10168	2.7
117.06998	1.2
119.08603	3.2
121.10133	3.2
123.07982	1.1
123.11669	1.4
131.08539	1.7
133.10147	1.4
135.11722	2.2
143.08499	1.8
145.10150	3.1
147.11668	1.2
149.02237	1.5
157.10117	1.9
159.11748	1.3
169.10159	1.3
170.94739	0.9
171.11702	1.1
173.13266	2.1
183.11757	1.1
185.13123	1.1
187.14928	1.0
189.16246	0.9
193.05028	1.2
193.10214	1.9
193.12077	1.2
193.76407	1.0
211.06413	1.3
229.07469	2.1
237.16374	1.5
243.09073	1.3
247.08519	1.1
269.12326	1.3
293.22772	1.2
389.22974	100.0
389.31781	5.6
390.23105	2.6
409.72418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05509	13.8
67.05500	14.7
69.03439	28.8
69.48265	39.3
69.48686	63.1
69.92143	13.2
70.72375	11.4
71.05003	24.2
77.89496	11.6
79.05474	15.4
80.38519	12.8
81.07050	42.9
85.02915	72.0
86.09691	15.9
91.05479	79.0
93.07049	44.7
95.04974	25.5
95.08611	24.6
97.02856	19.4
98.20733	24.0
98.97588	33.5
99.30503	13.1
105.07000	31.1
107.08584	22.6
107.57610	12.2
107.61930	12.0
109.06525	24.5
111.04431	13.1
121.06544	14.9
121.10155	58.8
123.11745	61.2
125.05970	14.4
133.10197	25.9
137.05995	28.9
147.11719	15.0
149.09651	71.6
151.11197	50.2
153.09067	21.8
163.07426	13.0
167.07071	22.2
167.10684	100.0
191.14275	30.8
209.15358	92.2
227.16490	52.8
246.83109	14.8
366.46799	12.7
389.13101	17.1
389.17633	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.12922	13.0
63.78614	13.5
67.05508	24.5
69.07049	18.1
70.15923	50.7
71.04988	17.8
79.05480	18.1
81.07032	32.7
85.02901	52.7
87.96796	11.0
90.96304	11.3
91.05455	18.1
93.07048	30.4
95.04944	48.9
95.08575	27.2
97.02866	13.1
97.06524	36.7
98.21491	15.0
99.04449	49.8
105.06999	49.3
107.08569	40.6
109.02957	12.0
109.06525	66.5
109.10144	17.0
110.48840	12.9
115.07547	17.8
119.08566	25.7
121.10111	35.8
123.08060	14.7
126.42171	11.3
131.08495	29.4
133.10146	88.4
135.08023	16.0
135.11684	11.6
137.06018	30.2
147.11653	38.7
153.09090	23.6
163.14772	16.2
167.07083	22.8
173.13254	46.5
175.07512	29.8
188.13794	11.7
191.14299	46.5
195.10196	14.0
204.02931	12.5
207.06520	17.3
209.15379	100.0
219.10216	29.7
219.24850	13.0
227.16402	72.8
389.31772	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	389.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	3.7
63.97761	1.1
70.73495	3.8
72.08149	7.2
75.12052	1.3
78.89169	1.4
85.02901	2.7
91.14369	1.4
98.97598	9.2
109.40391	1.4
112.23782	1.4
116.98621	2.3
129.02179	1.9
134.70396	1.3
187.10776	1.6
227.09566	3.1
227.12648	1.6
229.07416	1.7
245.10602	2.5
245.60367	1.4
269.10669	11.7
286.19861	1.4
287.11630	3.1
389.18134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1781
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
52.89315	0.3
53.73223	0.3
57.99804	0.3
58.95255	0.3
59.58190	0.3
59.75444	0.3
62.90630	0.3
70.38401	0.6
70.38757	0.7
72.08157	0.5
88.88271	0.3
149.31346	0.3
189.12257	0.3
200.68344	0.4
203.05315	0.6
209.11565	2.6
217.32878	0.4
227.12566	4.6
248.85138	0.3
389.17822	100.0
390.18262	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01872	3.1
55.05505	14.1
56.96570	33.3
57.03424	7.8
57.07096	3.2
61.02932	12.1
67.05502	24.4
69.03426	9.4
69.07069	20.6
69.65037	5.5
69.65450	7.7
71.95261	3.8
73.02903	7.8
75.84233	2.0
79.05488	25.7
81.03413	20.9
81.07056	38.6
81.08289	2.1
83.04982	5.5
83.08612	9.5
85.02895	13.9
91.03965	3.3
91.05483	20.8
93.07050	25.9
95.04978	7.5
95.08609	26.4
97.02893	9.6
97.06509	4.8
97.10162	2.6
98.97582	8.6
99.04475	2.9
101.02366	3.5
105.07030	25.5
107.04952	6.6
107.08607	19.1
108.08920	2.9
109.02898	2.7
109.10159	10.6
110.97595	3.1
111.08092	3.5
116.98640	4.5
117.06995	7.6
119.08588	18.8
121.06509	4.7
121.10152	17.1
123.11697	7.3
127.03920	7.4
129.07001	6.5
131.00208	3.4
131.08591	12.4
133.06546	2.4
133.10144	14.7
135.08078	2.3
135.11679	9.0
137.09555	3.9
137.13242	5.5
143.08536	7.0
145.10127	14.9
147.11742	11.1
149.09612	5.9
149.13286	5.9
151.08086	2.6
157.01755	3.1
157.10155	7.1
158.99680	3.5
159.11708	12.4
161.13225	2.8
163.11246	2.6
163.14928	2.7
167.03806	2.8
169.10074	3.5
171.03218	3.4
171.11697	4.4
173.13264	5.1
175.11240	4.9
177.12659	2.4
179.14278	3.2
183.11693	3.8
185.04861	7.6
185.13252	3.7
187.14833	4.4
189.16371	3.1
191.17899	2.5
193.12297	12.4
197.13297	3.0
199.06389	4.3
203.05841	7.5
209.13274	3.6
211.06421	2.8
211.13228	13.8
221.08536	3.3
223.06421	3.4
223.14851	3.3
227.17905	2.5
228.83075	2.2
237.07906	4.3
237.16467	2.9
239.17863	3.3
243.09079	2.7
245.60266	2.2
249.08086	6.9
251.09483	2.7
251.17986	2.8
257.18802	2.8
267.09039	69.7
268.09323	6.5
269.10477	4.0
275.12341	2.5
275.20020	7.9
285.10101	100.0
285.16949	6.5
286.10410	7.5
290.10733	3.6
291.12546	2.5
293.22507	4.4
307.24423	2.7
308.11694	10.6
313.30881	2.5
331.15921	21.6
332.16052	4.2
349.16876	42.3
349.23633	5.3
350.17236	7.5
353.28522	2.5
367.17850	3.2
372.18436	8.1
389.23294	11.7
389.27451	7.2
389.32010	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	389.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.6
56.96560	6.9
69.66030	5.6
69.66439	13.1
72.08166	14.9
81.51296	2.5
85.02889	4.5
86.09700	4.3
98.97592	21.0
99.47759	3.1
110.55959	2.8
116.85785	2.5
116.98573	6.0
129.02345	2.8
159.11246	3.3
174.99216	2.6
175.06444	3.2
187.10712	2.8
224.96410	2.4
227.09508	4.2
229.07458	3.1
245.10568	5.1
269.10562	22.7
276.79773	2.6
287.11639	9.6
371.94006	2.9
389.16904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	5.0
55.05504	10.2
55.92256	4.6
57.03399	5.8
61.02915	7.9
62.91615	4.7
67.05484	12.4
69.03425	25.5
69.07040	9.4
69.33916	38.7
79.05482	7.1
81.03402	13.4
81.07059	9.3
82.55540	5.8
83.04963	5.0
83.86590	4.4
85.02908	49.7
86.09673	8.2
91.05470	10.0
93.07029	15.2
95.04948	9.9
95.08601	79.9
97.02876	22.0
98.20760	9.7
98.97545	4.9
105.07037	24.5
107.08579	17.5
109.06498	5.9
109.10137	7.1
119.08580	48.2
120.09388	5.7
121.10145	26.8
123.08043	17.8
127.03938	6.2
133.06494	8.8
133.10127	27.4
135.11697	73.9
137.05957	6.1
137.09602	16.3
137.13252	9.4
145.05000	5.7
147.07976	6.2
147.11688	41.4
149.09601	43.3
151.07497	16.2
159.07965	5.8
160.91412	4.7
161.13260	100.0
165.12811	6.0
167.07014	11.2
174.10452	5.4
179.14267	8.8
189.12740	80.1
207.13783	71.9
225.14876	14.8
235.07651	5.2
253.36670	4.8
387.15604	26.7
387.20154	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	389.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
54.51919	0.6
56.96319	1.0
56.96569	11.1
57.03412	0.6
59.63165	0.7
61.02912	1.3
62.04097	0.6
69.03439	3.4
69.75107	3.1
69.75518	1.5
70.06596	0.9
72.08125	1.3
73.02903	1.1
83.04955	0.9
84.04504	2.4
84.08119	2.2
84.96036	2.6
85.02906	4.5
86.09690	2.1
97.02911	3.5
98.97586	47.7
109.02904	0.8
110.97571	6.2
112.99158	0.9
116.98626	20.9
121.06511	1.1
123.42459	0.7
124.99090	1.0
128.98613	6.8
129.02225	0.7
129.06560	0.8
129.10251	1.5
131.00247	1.5
131.04887	0.7
134.55431	0.7
134.99660	3.4
136.93076	3.8
140.00136	0.9
140.98518	1.0
143.00146	2.0
143.01837	1.3
144.98080	1.7
145.01711	2.2
145.04950	0.9
146.99687	2.8
147.03259	3.8
147.07661	1.5
152.98616	2.3
154.94168	8.5
158.99658	18.2
161.01230	2.1
161.02933	1.6
162.99170	1.6
163.02756	1.4
163.03987	1.0
165.04282	3.8
167.07065	2.2
170.99661	2.8
171.03278	1.1
172.95227	11.9
177.00714	13.8
177.05551	1.0
189.00729	2.0
189.04376	4.1
190.96326	2.7
196.95259	1.2
201.00665	2.0
201.04329	1.3
203.04039	1.2
206.04413	0.9
207.05424	2.0
209.08136	1.2
214.96317	3.0
215.06145	0.7
217.03908	0.7
218.06215	3.5
219.01772	11.5
219.05316	1.1
226.99867	1.0
228.05771	0.7
231.05452	1.5
237.02811	16.8
245.00929	1.9
248.07303	1.0
249.06621	0.8
250.96252	1.4
271.86813	0.7
291.07571	4.8
298.98444	1.0
309.08554	10.6
315.07944	0.8
316.99384	1.8
389.05170	100.0
389.13577	2.4
390.05554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
70.72550	56.9
95.08601	100.0
106.23518	19.3
123.08085	23.3
135.11659	20.7
149.09560	19.1
167.06960	22.9
189.12730	26.7
201.05589	20.8
207.13800	71.4
243.80223	20.7
320.12036	25.7
387.16095	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94053	0.4
52.42660	0.4
55.70830	0.4
55.99725	0.4
62.68623	0.4
65.71104	0.4
69.03395	0.6
70.93022	1.1
70.93394	0.6
77.06772	0.4
81.76642	0.4
85.02879	1.0
97.02883	0.4
98.97584	0.7
173.09789	0.4
225.10991	0.7
327.07703	0.4
387.16245	100.0
388.16809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.9
57.03444	2.0
59.81247	1.7
61.31160	1.4
67.05508	2.5
69.03437	4.4
69.12629	1.5
69.24048	2.9
69.24385	16.8
70.06605	2.0
73.02913	2.3
74.99534	1.4
79.05540	1.8
81.03440	7.1
81.07040	2.4
85.02903	7.4
85.79052	1.6
86.09729	4.3
91.05480	7.5
93.07061	2.8
95.08662	1.8
97.02908	2.1
98.21596	2.4
103.05524	2.1
105.07088	4.6
107.04977	6.5
107.08612	2.7
109.06563	2.4
117.06986	2.1
119.04998	1.6
119.08588	1.8
120.05693	1.7
121.06531	5.3
121.10219	2.3
123.08135	2.7
124.92166	1.6
133.06552	1.7
133.10159	3.4
135.08109	7.7
136.05251	2.8
137.05989	3.5
137.09648	2.1
147.04449	3.5
147.08043	10.4
148.05238	5.8
149.06007	3.0
149.09627	3.2
151.03999	1.9
151.07561	10.2
153.05486	4.0
154.06166	1.6
161.06119	1.7
161.09673	2.7
162.06802	2.4
163.07545	23.5
163.11256	2.6
165.05600	2.1
166.06352	6.1
167.07089	4.5
168.07863	5.1
169.06787	1.4
177.09100	12.3
178.09886	88.1
179.07144	7.0
179.10666	10.5
181.05061	3.0
181.08598	46.3
183.49745	1.6
189.12830	1.8
190.66370	1.6
194.09392	13.7
195.10246	1.9
207.10155	3.3
207.13823	11.7
209.11739	100.0
212.49512	1.5
225.14969	3.8
227.12897	6.7
231.02969	1.8
234.37212	1.6
234.99075	1.6
237.02977	2.7
313.51001	1.7
369.27539	1.7
387.16409	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	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.30228	0.3
51.02362	0.3
53.03927	0.8
55.01868	0.8
55.05488	0.5
61.84359	0.3
65.03938	2.2
66.04712	0.6
67.05489	1.6
69.03419	0.8
69.07061	0.4
69.27524	0.3
70.75362	0.6
70.75704	0.6
79.05485	1.6
81.03407	0.8
81.07053	1.2
82.04184	0.7
83.04982	0.4
83.08610	0.4
85.02886	1.3
90.42090	0.3
91.05476	2.0
93.03407	0.5
93.07040	0.6
94.04177	3.7
95.04960	1.1
95.08573	0.8
96.88947	0.3
97.02874	0.3
97.06528	0.4
102.04713	0.4
103.05463	5.2
105.07034	1.1
106.04216	0.4
107.04948	2.2
108.02094	0.5
109.06478	0.6
109.10145	0.5
110.03625	0.7
111.04433	0.9
115.05467	2.2
117.07003	1.6
118.04160	0.9
118.85471	0.4
119.04976	0.6
119.08557	0.5
121.06509	0.7
122.03643	8.0
123.04412	0.9
125.06012	0.8
130.04161	0.4
131.04919	4.4
132.05731	0.6
133.02866	0.5
133.06477	1.0
133.10124	0.4
134.03648	0.4
135.08058	0.3
137.05971	100.0
138.06367	0.4
140.61711	0.3
141.05434	0.3
142.02597	0.7
143.04918	2.7
145.06476	2.4
145.10098	0.3
146.03622	0.4
147.04451	0.4
147.08020	0.6
148.05193	2.7
149.05991	0.6
151.03902	14.3
151.04958	0.9
153.05557	0.5
155.06044	0.9
161.06059	0.6
163.07523	4.4
165.05428	0.4
167.07031	11.9
167.08394	0.7
171.06487	0.6
173.05966	3.8
175.07529	0.9
177.05475	0.5
181.04953	22.9
187.07512	0.4
191.07021	15.6
191.08746	0.8
195.06508	0.7
203.07004	1.9
205.08560	2.2
209.08217	0.5
219.08150	0.5
223.07603	0.4
231.08144	0.5
233.08046	1.5
234.06735	0.4
235.07622	0.5
235.09654	2.7
236.08405	0.4
246.06746	0.3
247.07474	0.5
249.09111	0.6
261.05923	0.4
263.07013	0.5
265.08505	0.7
277.08640	0.9
279.10016	0.3
293.08145	0.4
305.08136	0.8
307.09879	0.5
309.11108	0.7
319.09589	0.7
337.10764	1.7
339.12292	0.6
351.12354	1.3
355.11603	0.7
357.13293	11.8
369.13153	0.8
381.66830	0.3
387.14386	26.8
387.30344	0.6
388.09668	0.4
388.14459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03946	0.7
55.01869	0.7
59.46506	0.4
65.03926	1.8
66.04715	0.4
67.05490	0.8
69.03421	0.8
70.85531	1.1
77.03942	0.5
79.05487	1.1
81.03418	0.6
81.07045	1.2
85.02898	1.1
91.05510	2.0
93.03413	0.6
94.04188	3.2
95.04965	1.3
95.08593	1.0
97.06528	0.5
103.05470	4.2
105.07026	1.0
106.20640	0.5
107.04952	2.0
107.08582	0.5
108.02094	1.0
109.06501	0.4
110.03680	0.9
111.04475	0.6
115.05471	1.7
117.07021	1.8
118.04142	0.7
119.04930	0.4
122.03649	7.7
122.32946	0.4
123.04395	0.7
125.06016	0.7
130.04152	0.5
131.04915	3.6
132.79413	0.5
133.06491	1.0
137.05981	100.0
142.02524	0.7
143.04944	2.9
145.06496	2.4
148.05167	2.0
149.05939	0.6
151.03928	13.2
151.05042	1.1
153.05524	0.8
155.06039	0.6
159.04449	0.5
161.05992	1.1
163.07570	4.1
165.09081	0.5
167.07048	10.9
171.04460	0.6
171.06583	0.8
173.06007	3.8
175.07532	1.5
177.05478	0.8
181.04964	19.2
183.11665	0.8
187.07520	0.5
191.07040	12.6
195.11674	0.5
203.07018	2.1
205.08612	2.6
209.08064	0.7
223.14912	0.6
233.08121	1.3
235.09737	1.9
238.15968	0.4
250.66870	0.4
264.00201	0.4
275.87048	0.4
277.08636	0.6
293.08179	0.6
305.07922	0.4
327.12079	0.5
337.10794	1.2
339.12225	0.5
351.12286	1.2
355.11725	1.0
357.13345	11.4
369.13498	0.7
387.14398	24.7
387.30450	0.9
388.14569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	44.8
57.07070	58.1
67.05501	37.6
67.16336	20.1
69.07089	50.1
71.08624	48.7
73.05672	19.2
74.08064	18.3
79.05505	23.0
81.07070	61.7
83.08605	49.4
85.10185	27.8
89.68869	23.2
93.07070	33.8
95.08607	100.0
97.00289	21.3
97.10166	24.6
101.05961	21.7
105.06989	22.7
107.08595	42.6
109.10199	22.9
109.94659	19.8
119.08601	41.1
121.10130	22.7
125.69673	25.9
136.67493	22.8
148.49321	20.7
179.14355	34.6
183.13855	31.0
245.41673	20.6
323.29401	44.1
326.97421	22.5
386.31290	47.5
386.39932	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.0
57.03436	26.9
61.02924	15.3
68.81853	2.5
69.03425	29.6
71.01332	3.0
71.27414	4.9
71.27744	2.6
73.02918	48.0
76.36633	2.8
81.03417	4.8
81.07060	2.8
85.02907	100.0
91.03973	4.9
97.02896	49.7
98.97569	6.1
99.04441	3.6
109.02852	8.5
115.03942	27.0
127.03911	33.3
129.21581	2.8
133.04945	13.2
145.03903	3.4
145.04968	50.3
157.97736	2.8
163.06030	26.3
163.12807	2.7
168.92807	2.4
174.73924	2.6
197.07690	3.0
203.07526	24.3
203.57794	4.1
214.41742	2.7
223.06088	3.1
237.13402	4.3
243.08948	3.9
259.08109	3.3
261.10074	5.2
264.02139	2.6
305.14362	4.7
386.17206	17.9
386.67258	6.7
387.16202	11.7
388.09790	2.7
405.14133	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	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	7.2
57.03437	24.6
60.85615	3.1
61.02925	12.6
63.95228	3.1
67.05457	3.5
69.03435	35.7
70.90157	3.7
70.90492	6.4
71.01383	3.1
71.04982	5.1
73.02923	42.5
81.03409	6.4
81.07060	8.6
85.02907	100.0
87.04483	5.6
91.04005	4.4
97.02891	48.3
98.97581	13.5
99.04430	6.0
107.08630	4.1
109.02898	9.5
110.56223	2.8
115.03915	24.1
122.04855	3.7
123.11674	3.8
127.03917	29.4
133.04996	9.1
138.09097	4.8
145.04964	49.9
158.99709	4.7
163.06035	22.1
173.06503	9.1
193.04898	3.4
194.06905	6.4
203.07555	35.5
203.57747	7.7
223.06134	4.8
236.06381	4.2
239.02264	3.3
241.07158	5.8
243.09026	7.2
261.10190	9.0
305.14453	9.6
305.64523	4.6
344.12134	4.4
386.17191	28.0
386.67252	4.5
387.16296	34.5
405.14270	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	385.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25476	1.5
55.05512	9.7
57.07078	7.9
65.03941	2.0
67.05508	18.6
69.07069	14.9
70.33839	7.0
79.05490	9.3
81.07056	72.4
82.75266	1.6
83.08613	5.7
85.06504	1.9
91.05462	7.7
93.07047	18.9
95.08611	100.0
97.06445	1.8
97.10154	5.6
105.07021	12.6
107.08600	24.7
109.06543	2.0
109.10155	30.3
117.06981	2.8
119.08569	14.4
121.10150	15.1
123.08047	2.4
123.11708	19.0
131.08560	4.5
133.10158	9.8
135.11684	14.6
137.13261	59.1
138.13615	2.0
145.10123	6.4
145.68195	1.6
147.11743	9.5
149.13225	11.6
151.14827	6.1
159.11696	7.2
161.13281	12.4
163.14806	5.8
172.15720	1.5
173.13260	6.3
175.14786	4.8
177.16382	5.2
179.14293	5.1
187.14790	5.1
189.16371	10.3
191.17935	2.0
193.19191	1.7
201.16335	2.8
203.17850	3.0
205.15977	2.3
205.19577	2.5
215.17902	5.7
217.19490	17.5
219.21008	2.0
229.19490	6.5
233.18912	3.2
240.01340	1.6
243.21107	6.1
251.12642	1.7
307.03955	1.7
310.46207	1.8
367.33673	10.3
378.48431	1.9
385.18399	2.0
385.29736	10.5
385.34729	15.0
390.28049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3101
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
55.05507	11.3
56.96547	3.0
57.03471	2.4
57.07070	2.8
59.05020	2.2
67.05489	18.0
69.07066	16.6
69.31699	19.8
71.04991	5.5
79.05489	11.2
79.57820	1.8
81.06615	3.8
81.07055	31.8
83.04971	2.7
83.08617	8.2
85.06528	5.6
91.05471	14.4
93.07037	32.6
95.08602	59.9
97.06558	2.8
97.10190	5.2
98.97581	4.7
105.07033	25.1
107.08594	57.0
109.06493	2.7
109.10157	39.2
109.10821	3.7
117.06973	2.8
119.08576	37.9
121.10138	62.4
123.11703	13.6
123.91107	2.2
131.08569	7.3
133.10121	24.1
135.08118	3.2
135.11690	51.5
137.13248	3.6
145.10120	10.6
147.11685	22.2
147.61649	2.0
149.02327	4.1
149.09732	2.8
149.13249	12.6
151.11201	4.4
153.01814	2.9
153.09065	3.0
157.10168	2.3
159.11714	9.4
161.13251	18.5
163.11217	5.9
163.14836	15.9
163.46762	2.3
169.10133	2.7
171.11661	2.4
173.13335	3.5
175.14816	10.7
177.12793	7.1
177.16418	7.3
177.49033	2.4
181.12143	4.5
187.14822	6.1
189.12782	2.4
189.16286	15.2
191.17941	29.4
193.05037	2.9
193.12227	3.7
195.12057	3.2
195.13791	18.0
201.16470	3.0
203.14343	2.3
203.17940	14.5
217.19537	20.6
231.20964	5.1
367.30054	7.6
385.31070	100.0
386.31567	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	385.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13063	0.4
55.05502	1.0
67.05515	1.1
69.03425	0.7
69.07053	1.0
69.52069	1.5
69.52499	2.0
70.41324	0.4
71.04988	0.6
72.84882	0.4
79.05508	1.2
80.78313	0.4
81.07060	2.4
83.04977	0.6
84.63409	0.5
85.02961	0.6
85.06571	0.6
91.05486	1.2
93.07037	1.8
95.04954	0.4
95.08605	1.4
98.21465	0.9
105.07032	1.1
107.08595	1.2
109.10159	1.5
115.67012	0.5
119.08598	1.1
121.10153	1.2
123.04401	0.5
123.08041	0.5
123.11689	0.7
133.10139	1.5
135.11742	0.6
147.11684	0.7
151.38834	0.5
153.01849	1.0
157.10120	0.7
159.11694	0.5
164.99658	0.5
173.13248	0.7
180.85042	0.5
187.14859	0.6
193.04987	0.8
248.04546	0.5
268.76675	0.4
326.75415	0.5
329.11105	0.4
339.26559	0.5
353.10095	0.9
385.12909	1.3
385.29266	100.0
386.29456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1471
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.63203	0.4
51.24950	0.4
57.05417	0.5
69.03423	1.2
70.28796	1.9
85.02884	1.6
91.05479	0.9
97.06526	0.8
98.97581	1.0
121.06482	0.6
123.08059	0.9
125.06063	0.7
135.08089	0.6
135.11617	0.8
145.04997	0.5
161.05870	0.6
163.03882	0.7
163.11240	0.8
167.06999	0.6
177.12793	0.7
193.04903	0.9
200.01202	0.6
205.12225	1.8
223.09454	1.4
223.13269	5.8
246.05734	0.6
271.11649	0.9
380.04745	0.5
385.14688	100.0
386.14975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
61.37993	0.5
67.05494	1.2
68.94794	0.4
69.07047	1.6
71.40611	0.9
79.05479	1.6
81.07059	2.6
83.04977	1.0
85.02874	0.6
85.06519	1.1
91.05474	1.2
93.07037	2.1
95.08612	3.7
97.02905	0.6
97.06526	1.4
98.97569	0.6
105.07042	1.5
107.08578	2.1
109.06472	0.6
109.10149	1.1
111.08118	0.5
119.08573	1.4
121.10122	1.6
123.11648	0.6
131.08545	0.9
133.10062	0.6
135.11711	0.9
137.05998	0.9
145.10081	0.9
149.09561	0.9
153.01793	1.6
159.11682	0.6
160.20140	0.5
167.07060	0.7
171.11702	0.5
173.13252	0.8
177.16373	0.6
191.18079	0.8
193.04994	1.0
202.14619	0.5
206.49168	0.5
248.59459	0.5
295.89868	0.5
385.12738	2.5
385.29242	100.0
386.29843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.8
57.36485	0.5
57.95493	0.6
67.47363	0.5
69.62567	3.4
71.95275	0.6
98.97588	39.1
99.97887	0.8
100.97192	0.8
101.00870	2.6
105.39101	0.6
116.98624	22.5
119.01926	7.2
134.99677	6.9
137.02953	1.2
140.00140	0.6
153.00768	0.7
158.99925	0.9
168.96758	0.6
177.00937	15.6
182.99860	0.6
201.00961	2.3
209.01227	0.8
209.59550	0.6
216.98897	0.6
217.04092	1.3
219.02013	24.1
219.40932	0.6
220.02110	0.7
221.02261	0.6
225.01003	2.0
234.99843	0.7
240.98843	1.3
242.98595	0.8
242.99152	0.8
243.01981	10.3
243.04306	1.1
244.01926	0.6
258.99817	12.9
259.99960	3.8
260.99725	12.4
261.03055	100.0
262.00610	1.0
262.03220	6.3
263.03110	1.2
277.00851	14.5
278.01007	3.6
279.00662	14.7
282.99890	3.5
284.04605	1.4
284.99799	2.2
301.00964	4.4
303.00943	2.8
343.02026	1.1
361.98853	0.8
367.02286	1.5
385.03293	16.0
386.03455	1.0
402.99948	1.0
403.04727	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18073	1.4
55.01867	4.5
56.96563	2.0
57.03426	1.5
61.02923	2.2
65.03931	2.0
69.03420	3.8
70.82437	4.4
79.05480	6.8
83.99937	1.6
84.96067	1.7
85.02898	11.3
86.27823	1.7
91.05484	4.9
95.04960	4.8
97.02878	5.8
98.97583	6.1
103.05470	8.4
105.07030	59.9
107.04951	6.1
110.97585	2.6
115.05454	15.4
117.06985	4.0
118.04156	4.2
121.02867	18.8
123.04444	7.4
127.03923	2.8
128.98582	3.7
129.07008	2.5
131.04935	6.5
132.05650	3.2
133.06491	53.1
140.04683	3.3
143.04961	2.1
143.06007	3.2
145.06502	4.0
147.04338	2.4
151.03925	2.1
155.07104	3.3
157.06502	2.0
160.05156	1.6
161.05975	100.0
163.03963	2.3
167.07050	31.2
172.05353	1.9
173.06010	4.3
175.03929	3.6
175.07518	3.4
177.05595	3.1
181.04993	1.8
183.06509	4.2
187.03893	1.7
187.07521	1.8
190.06216	2.9
191.07092	4.0
193.04922	5.0
193.08612	66.6
201.05524	3.0
203.06952	1.9
205.08586	5.3
207.06493	10.6
217.05022	4.0
219.01767	3.7
219.06528	4.9
221.08029	3.0
223.09508	1.9
229.05008	3.1
231.06487	7.7
233.04427	5.5
233.08055	4.5
235.06105	2.0
237.02898	5.3
243.06561	2.0
247.06215	2.2
251.09129	22.2
261.07568	15.8
263.09164	1.9
275.09180	5.3
284.36868	2.3
289.07074	3.2
291.08200	2.4
293.10202	3.4
301.07184	1.8
307.08176	4.4
317.86874	1.6
367.10446	3.9
385.07333	3.4
385.14566	9.3
385.18835	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87593	2.2
55.05488	2.5
67.05507	4.2
69.03423	6.7
69.07059	6.8
69.84406	9.6
69.84819	5.1
71.04991	13.4
79.05492	3.9
81.03438	2.4
81.07060	44.6
84.56763	2.5
85.02924	10.8
97.06528	2.4
98.21377	3.3
98.97578	3.8
99.08080	3.0
105.06998	2.7
107.08578	6.6
109.06543	2.5
109.10162	8.5
111.08079	2.8
111.11729	4.0
113.91271	2.4
123.11703	13.6
127.03931	3.5
133.10143	3.3
139.11177	5.4
151.11162	16.9
157.12247	11.3
169.12207	22.4
187.13292	100.0
190.96838	2.2
203.07370	2.1
205.14372	4.6
214.82658	2.9
231.71272	2.3
283.72928	2.2
349.18613	3.4
384.06772	3.1
384.14792	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05502	9.7
57.07062	10.3
67.05508	28.7
69.03434	2.5
69.07064	21.6
70.79659	6.5
79.05487	15.6
81.07059	83.4
82.28770	2.4
83.08601	10.5
91.05460	14.4
93.07037	32.6
95.04925	3.7
95.08609	100.0
97.06523	8.4
97.10193	3.9
105.07025	30.4
107.08595	40.3
109.06474	3.0
109.10154	34.1
111.11690	4.0
117.07001	2.5
119.08587	26.7
121.10144	35.9
123.11723	24.4
131.08557	8.8
133.10120	23.2
135.11699	23.9
137.13272	56.1
145.10159	16.8
147.11696	22.6
149.13249	23.3
151.14822	8.0
157.10085	4.4
159.11650	13.1
161.13268	17.8
163.11299	5.1
163.14836	9.3
171.11703	6.1
171.52480	2.7
173.13245	10.1
174.06841	2.6
175.14786	12.6
177.12759	3.3
177.16377	23.0
185.13235	3.9
187.14856	8.3
189.12724	6.5
189.16376	12.1
191.10696	6.4
191.14383	5.4
191.17906	10.0
193.15828	3.2
199.14722	3.5
201.16411	3.8
203.14346	18.8
203.17967	5.0
205.15877	3.2
205.19598	8.8
213.16360	6.9
215.17972	8.6
217.15852	4.9
217.19495	3.2
219.21042	3.7
227.17932	5.8
229.19469	6.5
231.17383	4.0
241.19469	7.9
245.19002	8.1
255.21167	3.4
259.20779	4.4
365.32047	22.6
382.43271	2.7
383.20432	3.2
383.28989	18.9
383.33096	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
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
53.03947	3.2
55.05511	16.6
57.07074	6.6
61.02911	2.7
63.39986	2.5
67.05157	3.8
67.05501	49.7
69.07069	25.0
71.04990	4.9
71.61533	3.4
79.05489	25.4
81.03401	4.6
81.07053	68.0
83.08640	12.5
85.06554	3.6
91.05489	17.6
93.07034	54.8
95.04964	6.5
95.08606	98.0
97.02856	2.5
97.06524	3.6
97.10188	7.0
105.07031	41.9
107.07854	3.6
107.08595	72.2
109.06489	4.6
109.10154	51.0
109.10902	3.3
111.08122	4.8
115.09097	2.3
117.06996	5.1
118.37478	2.4
119.08585	45.7
121.02847	5.0
121.10139	56.8
123.08080	3.9
123.11687	21.8
131.08551	10.6
131.58789	2.3
133.10121	41.6
135.08067	4.5
135.11685	45.1
137.09633	2.8
137.13255	11.2
143.08624	3.4
145.10103	18.9
147.11694	32.8
148.09070	2.4
149.13269	30.4
151.14815	2.5
157.10156	9.9
159.11707	24.8
161.13258	36.9
162.13565	2.8
163.14825	44.2
171.11690	5.6
173.11824	4.8
173.13297	15.6
175.11259	2.7
175.14810	23.0
177.12782	3.5
177.16383	18.0
179.14357	5.2
183.11734	4.4
185.13290	8.4
187.14848	17.3
189.16389	14.2
191.14250	3.3
191.18021	9.0
199.14890	8.5
201.16364	16.5
203.14407	3.7
203.17937	19.1
205.19513	5.0
207.17345	4.2
213.16525	3.8
215.17969	12.3
217.19550	10.9
219.17593	5.1
227.17973	10.1
229.19464	18.4
231.21170	9.3
241.19571	7.1
243.21107	11.2
255.21080	14.4
257.22794	6.4
259.20511	3.8
269.22620	6.5
273.22098	5.8
313.25256	2.9
365.32059	45.7
383.13348	2.9
383.25085	8.5
383.33182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.8
57.07063	8.2
67.05504	21.9
69.07072	10.9
71.32601	4.4
75.59812	2.1
79.05485	9.1
81.07059	80.0
83.08595	3.6
91.05470	4.9
93.07047	15.5
95.04957	2.4
95.08613	100.0
97.10170	3.1
105.07030	6.7
107.08591	13.4
109.10169	25.6
119.08574	14.1
121.10143	9.5
123.11693	21.5
131.08588	3.5
133.10133	6.7
135.11679	8.8
137.13257	85.4
145.10124	6.8
147.11703	4.0
149.13322	3.1
151.14839	8.1
159.11671	6.5
161.13257	5.8
163.14926	2.8
173.13162	2.8
175.14865	3.5
179.17899	2.6
185.13150	3.5
187.14822	5.9
189.16476	3.5
199.14752	2.2
201.16470	3.1
203.14235	2.6
203.17955	3.7
215.17941	6.4
217.19441	3.5
231.17485	4.1
233.19046	6.6
245.19031	4.9
324.49908	2.7
365.32108	6.9
383.20352	5.1
383.33304	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	383.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05508	19.4
57.07077	7.1
65.03959	2.4
67.05505	46.1
69.07066	25.0
70.78170	4.6
71.04993	5.4
79.05499	25.7
81.07056	70.3
81.07509	4.9
83.05021	6.1
83.08614	10.7
85.06559	12.9
91.05479	30.1
91.82803	2.2
93.07045	73.5
95.04442	2.5
95.04985	9.2
95.08607	82.3
97.06544	6.2
97.10168	6.7
103.05449	2.4
105.07035	59.8
107.08599	71.7
109.06533	9.9
109.10152	85.9
111.08112	5.2
117.07042	9.1
119.08584	83.4
119.11349	2.4
121.06526	5.9
121.10144	58.0
123.08118	10.9
123.11708	14.1
127.11206	4.0
129.07008	5.7
131.08591	20.4
133.10136	48.4
133.11069	3.9
135.08018	5.5
135.11699	38.4
137.09645	5.0
137.13295	7.1
142.07813	5.3
143.08603	9.1
145.10138	29.1
147.08098	7.9
147.11681	33.5
147.12746	2.7
149.09630	5.2
149.13255	36.4
151.07617	9.3
157.10139	14.9
158.10822	2.4
159.08133	3.2
159.11694	28.1
161.09654	7.4
161.13260	51.2
163.14839	24.8
165.09233	11.2
171.11795	7.8
173.13237	13.5
175.11172	5.2
175.14832	35.0
177.09315	2.3
177.16438	9.7
179.14362	2.8
183.11737	3.8
185.13304	9.8
187.14801	13.7
189.16386	20.9
191.14388	5.1
191.17950	49.7
191.19536	4.0
193.15884	4.6
199.14925	4.6
201.16479	10.5
203.14398	4.9
203.17957	21.0
205.19600	3.5
207.17435	3.5
209.15410	2.2
211.14926	3.7
213.16451	4.1
215.18019	10.3
217.19582	10.3
219.17422	3.0
221.15300	17.9
227.18025	6.7
229.19563	5.3
231.17580	2.4
234.16191	2.9
243.21196	5.3
257.22772	4.6
295.24341	2.5
327.14120	5.0
354.86926	2.5
358.07251	2.4
365.24765	2.6
365.32123	16.7
377.07291	2.6
383.20541	100.0
383.25641	18.8
383.29550	5.1
383.33246	66.9
384.20953	4.3
405.10199	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	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	0.8
55.05515	4.9
55.84953	0.7
56.96067	0.6
57.03425	0.8
57.07064	2.0
62.12870	0.6
62.53078	0.6
67.05506	8.6
69.07065	6.7
69.39859	4.9
72.32741	0.6
77.03936	0.9
79.05497	8.3
81.07059	28.3
83.08599	2.9
85.06547	0.7
91.05484	11.7
93.07048	22.6
95.04966	0.7
95.08607	28.7
97.10164	1.9
99.96968	0.6
103.05492	0.8
105.07033	100.0
106.07341	1.1
107.08600	23.7
109.10163	12.4
111.08095	0.8
117.06997	2.2
119.08584	57.2
120.08924	0.7
121.10152	14.3
121.11011	0.9
123.08100	0.9
123.11698	5.1
129.06929	1.0
131.08560	3.7
133.10139	15.0
135.11702	13.5
135.57080	0.7
137.13251	2.9
143.08562	1.2
145.10115	4.8
146.10921	0.7
147.11691	12.5
149.13245	8.8
151.14847	0.7
153.12819	0.7
157.10143	1.2
159.11691	8.0
161.13258	77.5
162.13652	1.0
163.14832	10.2
171.11743	0.8
173.13261	3.8
175.14830	20.2
177.12793	1.0
177.16386	4.2
179.14323	3.3
185.13322	0.9
187.14822	3.0
189.16380	5.0
191.17943	13.1
201.16432	3.0
203.17908	5.3
205.15802	0.8
207.17470	1.6
213.16368	0.7
215.18027	2.2
217.19536	2.5
219.20992	0.9
227.17970	1.1
229.19501	1.4
233.19102	0.9
255.21094	0.9
269.22864	0.9
365.32043	7.1
383.33176	23.8
384.33707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05513	4.7
56.24885	0.6
57.07081	1.2
57.60318	0.6
59.57837	0.6
60.82339	0.6
65.03946	0.8
67.05505	9.4
69.07069	8.4
70.00441	3.2
71.05006	0.8
79.05495	9.6
81.07059	29.6
83.08636	3.3
85.06512	1.3
91.05474	12.9
93.07050	18.8
95.04990	1.2
95.08607	29.9
97.06509	1.3
97.10165	1.5
103.05460	1.1
105.07034	100.0
107.08595	23.5
109.06527	0.9
109.10162	14.0
117.07010	2.5
119.08586	56.2
121.10152	14.4
123.08066	0.8
123.11705	5.1
131.08594	3.9
133.10135	16.7
135.11699	15.9
137.13277	2.8
139.11205	1.0
143.08644	1.4
145.10114	4.9
147.11687	14.4
149.13249	8.1
151.11224	1.2
157.10201	2.1
159.11694	7.5
161.13261	88.0
162.13591	0.8
163.14821	10.5
165.12700	1.3
173.13240	3.3
175.14833	22.7
177.12799	1.6
177.16383	4.0
179.14330	4.0
185.13330	1.2
187.14781	3.4
189.16406	5.4
191.14314	0.8
191.17932	13.2
191.19545	1.1
197.13342	0.8
201.16400	2.4
203.17926	5.8
205.15822	0.9
207.17538	1.7
213.16353	1.1
215.18005	1.4
217.19571	2.9
227.17950	0.9
229.19643	1.3
241.19521	1.1
243.21080	1.2
365.32184	6.2
383.20645	1.0
383.29486	1.6
383.33218	28.1
384.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.3
57.07075	3.6
58.16061	1.8
65.69528	1.7
67.05518	10.0
68.76212	1.8
69.07065	9.3
71.62287	1.6
76.10434	1.7
79.05485	10.4
81.07062	26.7
83.08609	3.1
91.05479	11.5
93.07048	17.9
94.49055	1.7
95.08614	25.5
105.07037	100.0
107.08601	24.7
109.10165	12.1
110.99239	1.8
117.07021	2.5
119.07778	3.6
119.08586	48.5
121.10150	13.8
123.11734	4.6
131.08553	5.7
133.10143	15.1
135.11697	13.1
137.13260	2.8
138.38928	1.7
145.10124	6.2
147.11671	11.9
149.13260	8.0
157.09987	2.8
159.11707	7.2
161.13257	70.6
163.14795	10.2
173.13333	3.5
175.14818	19.1
177.16426	2.3
179.14279	3.0
187.14764	3.0
189.16394	3.6
191.17972	12.4
201.16396	2.8
203.17914	6.3
365.32156	6.3
383.33176	28.0
409.12048	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	383.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
54.67832	2.0
55.05505	5.2
57.07065	6.4
60.34314	2.3
67.05501	8.8
67.35591	2.0
69.07066	10.1
71.61505	3.2
79.05483	7.8
81.07059	27.2
81.58853	1.8
83.08641	4.0
91.05478	11.3
93.07049	21.3
95.08595	25.8
97.10169	2.3
99.49762	1.8
105.07036	100.0
107.08586	23.8
109.10148	11.3
119.07777	4.3
119.08584	60.2
121.10172	14.4
123.11684	7.8
131.08598	4.2
133.10114	19.7
135.11691	16.1
138.06804	2.1
141.80099	1.9
145.10094	4.5
147.11694	16.1
149.13249	9.5
152.64377	2.3
157.10150	2.6
159.11682	9.2
161.13255	91.0
163.14833	13.9
165.12685	2.3
173.13315	5.0
175.14835	21.9
177.16393	6.6
179.14322	4.4
181.09283	1.8
189.16350	4.8
191.17931	15.3
201.16364	2.5
203.17932	8.6
205.15907	2.1
365.32065	6.1
383.33087	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	383.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61161	0.3
55.05497	0.6
61.04682	0.4
67.05500	0.7
69.07043	0.6
69.87830	1.6
80.99419	0.4
81.07035	1.1
85.06482	0.4
89.86994	0.5
91.05471	0.6
93.07029	0.9
93.16745	0.4
94.72855	0.3
95.08584	1.3
98.20775	0.4
105.07034	0.6
107.08607	0.8
109.02937	0.4
109.10143	0.7
111.04457	0.5
135.08015	0.5
135.11679	0.5
158.84175	0.4
299.34579	0.4
307.09711	0.6
383.27682	100.0
384.27957	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.05516	16.9
57.07068	10.1
59.04991	5.7
61.02897	2.4
65.03928	3.2
66.91228	2.3
67.05511	41.5
69.03419	11.6
69.07078	18.4
71.04933	7.5
71.08620	3.3
79.05492	33.6
80.05824	2.3
81.03434	3.2
81.07066	72.3
83.04980	4.7
83.08628	8.9
85.06561	5.9
91.05479	42.5
93.07050	100.0
95.04977	22.7
95.08612	83.0
95.09232	3.9
97.06533	8.9
97.10163	3.9
103.05480	3.7
105.04505	3.2
105.07037	72.0
107.08601	70.4
108.05780	2.9
109.06508	13.3
109.10157	43.7
111.08087	8.8
111.11740	2.7
112.40259	2.2
115.05470	4.8
116.06222	2.6
117.07030	12.6
119.08588	57.0
121.06528	9.2
121.10150	58.3
123.08067	22.8
123.11703	11.7
125.09624	4.8
128.06245	5.5
129.06996	9.1
130.07864	2.8
131.08574	31.2
133.06494	6.3
133.10136	43.9
135.08070	14.9
135.11710	24.6
135.39760	2.4
137.09647	10.9
137.13220	4.1
139.11143	2.6
141.07030	5.4
142.07787	15.1
143.08568	23.4
144.09352	5.1
145.06546	3.3
145.10133	48.9
147.08055	14.2
147.11696	29.3
148.08926	2.5
149.09616	19.5
149.13268	22.3
151.07565	23.8
153.09169	3.0
155.08539	6.3
156.09352	6.0
157.10130	31.6
158.10925	2.8
159.08044	5.7
159.11668	27.3
160.08830	2.7
161.09630	15.2
161.13295	24.2
163.11185	5.9
163.14819	27.2
165.09135	27.6
169.10144	5.4
170.10944	4.9
171.11713	10.1
173.09634	7.6
173.13263	15.0
175.11182	21.5
175.14830	18.7
177.09146	9.9
177.12738	4.5
177.16409	10.1
183.11676	7.6
185.13283	18.8
187.11198	4.1
187.14871	11.0
189.12726	6.1
189.16420	12.3
191.14391	3.9
191.17937	5.4
195.11690	3.2
197.13271	4.3
199.14847	6.8
201.12784	8.6
201.16382	17.3
203.14328	23.9
203.18011	8.1
205.16109	2.6
207.13852	12.4
209.13402	3.7
209.15494	3.3
211.14795	4.0
213.16443	6.4
215.14317	4.5
215.18004	9.4
219.13782	5.6
219.17435	6.5
221.13478	3.1
221.15370	54.3
227.14368	5.7
229.12282	2.7
229.19560	3.9
231.13861	3.6
233.15366	5.1
233.18900	3.5
234.16168	6.5
245.22995	2.9
247.20695	3.5
250.82460	2.4
255.20869	2.3
269.22745	3.4
281.19052	2.8
287.20044	5.0
303.19586	4.2
326.26059	2.7
337.13489	3.2
365.24756	6.8
365.32040	14.5
383.20718	2.5
383.25455	53.6
383.30185	6.0
383.33340	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	5.3
53.88144	3.4
55.05511	16.8
57.07069	11.4
59.04999	6.6
61.05072	3.4
66.33357	3.7
67.05502	44.4
68.32513	3.0
69.03419	15.1
69.07056	11.8
70.66327	11.3
71.04990	5.9
75.73543	3.0
79.05488	29.4
80.99369	3.8
81.07058	43.8
83.04980	7.6
83.08607	12.0
85.06535	8.9
91.05474	48.5
93.07047	100.0
95.04962	28.9
95.08607	47.9
97.06527	15.9
105.06371	5.5
105.07027	77.2
107.04959	4.7
107.08591	49.8
109.06521	21.4
109.10151	34.8
111.08073	10.8
117.07018	13.9
119.08578	71.2
121.06467	11.7
121.10135	48.9
123.08076	33.1
123.11702	6.3
124.04760	3.8
128.06219	10.8
129.06963	13.2
130.07809	5.2
131.08568	30.7
133.06490	7.8
133.10141	35.3
135.08040	23.1
135.11650	9.7
137.09621	9.0
137.13249	5.3
141.07016	5.3
142.07764	15.6
143.08577	24.7
145.06551	3.6
145.10123	41.6
147.08066	20.6
147.11690	25.9
149.09641	29.8
149.13190	4.4
151.07523	38.3
153.09088	6.5
155.08519	9.8
156.09323	9.8
157.10121	43.9
159.08029	8.3
159.11700	23.8
161.09604	19.4
161.13257	15.2
163.11153	7.2
165.09122	30.0
169.10107	7.2
170.10832	7.1
171.11658	10.0
173.09654	13.5
173.11725	4.7
173.13225	11.6
175.11162	22.4
175.14844	7.5
177.09137	9.4
177.12721	4.0
178.09993	4.1
183.11745	6.9
185.13261	19.3
187.11253	5.9
187.14812	5.3
189.12772	11.3
189.16469	6.7
191.14265	7.0
195.11665	5.7
197.13181	3.9
199.11137	6.9
201.12703	10.5
203.14299	30.8
207.13808	10.8
209.13190	3.8
211.14854	4.3
215.14322	13.1
215.17815	3.3
219.13869	7.6
221.15344	64.4
225.16402	5.6
227.14307	6.3
229.15897	3.6
231.13625	4.2
233.15379	6.5
234.16113	19.2
286.19415	6.1
287.19992	10.7
299.19870	6.2
303.19586	7.7
347.23370	4.2
365.24661	14.1
383.25595	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
53.10540	7.0
55.01874	13.4
55.05505	26.5
56.95140	5.7
59.62797	6.4
61.02911	11.1
67.05496	28.8
68.99741	6.7
69.03120	8.3
69.03434	100.0
69.07062	15.8
69.52111	16.0
69.52517	30.3
71.04993	51.3
79.05497	42.1
81.03410	94.7
81.07056	61.1
82.40997	7.8
83.04985	13.9
85.02909	51.2
87.00823	30.0
91.05485	44.9
93.07051	59.4
95.04964	31.3
95.08604	30.9
97.02885	46.2
97.06514	10.9
98.21510	12.8
99.04443	9.4
99.08103	13.9
100.11250	11.7
103.05489	13.0
105.01811	11.2
105.07034	84.0
107.04958	10.9
107.08601	63.1
109.02895	8.7
109.06501	30.8
109.10153	35.0
111.04440	16.5
112.65188	6.3
115.03936	12.7
117.07014	20.1
119.04944	9.0
119.08591	60.8
121.06486	28.5
121.10155	32.0
123.04414	10.4
123.08079	21.4
123.11712	22.2
127.03931	15.4
127.07545	26.1
128.06224	10.7
129.06970	18.5
131.08556	27.7
133.06491	14.9
133.10124	40.7
135.04347	7.8
135.08043	26.4
135.11674	25.4
137.05940	7.8
137.09576	10.3
143.08559	26.2
145.06528	6.7
145.10127	46.8
147.04398	7.6
147.08040	31.6
147.11716	37.1
149.09598	17.7
151.11156	22.4
155.08577	22.6
157.06493	8.2
157.10112	12.1
159.08023	14.8
159.11681	25.6
161.09610	7.8
161.13269	13.1
163.07579	7.1
163.11185	19.1
165.09062	7.8
165.12724	19.3
171.08032	18.3
171.11713	10.3
173.09613	38.4
175.07516	22.2
175.11218	14.0
177.12744	22.2
189.09096	14.2
189.12796	15.6
190.06250	19.9
191.10670	27.8
193.08553	18.8
193.12248	10.6
197.13264	10.1
201.03999	31.2
201.09073	6.9
201.12703	9.8
205.12210	8.3
210.14873	8.6
215.14297	10.0
219.13783	9.5
221.08084	73.5
229.08646	7.8
231.08025	7.3
243.13841	30.4
248.08470	9.2
261.14868	41.7
279.15839	17.5
291.10135	9.5
300.00864	7.1
321.16901	7.9
337.24878	7.5
347.14755	16.3
351.12320	11.7
365.12207	7.9
365.16013	13.1
383.14883	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.0
60.04537	0.5
70.37704	0.8
70.38098	0.8
71.66353	0.4
79.05499	0.4
85.02895	1.3
87.25027	0.4
89.03912	1.7
92.00761	0.4
98.97587	1.7
107.04922	0.5
108.57153	0.5
110.97536	0.6
116.98559	0.6
117.03381	1.5
119.05056	0.4
128.98582	0.5
135.04419	2.2
145.02869	1.5
146.21254	0.5
147.04399	0.7
163.03911	12.5
164.04239	1.6
177.00642	0.4
181.84949	0.4
190.06201	0.6
203.14221	0.4
218.05618	1.2
219.01736	1.3
221.07896	1.4
237.02829	1.5
239.02257	0.4
246.04906	0.5
249.87370	0.4
316.30765	0.6
341.87036	0.6
351.07404	2.1
365.10779	0.6
383.13123	100.0
384.13440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51739	1.9
53.03946	2.9
55.01867	5.8
55.05511	7.5
55.14992	1.9
56.96571	3.3
57.03435	2.8
60.04529	15.0
67.05505	6.1
69.03418	6.0
69.07069	9.7
69.08455	2.1
69.08882	2.2
70.29604	7.6
71.05004	12.8
79.05499	14.1
81.07052	7.0
83.05008	2.9
85.02911	16.0
85.06519	4.9
87.04484	11.1
89.03931	2.9
91.05485	4.6
93.07060	16.3
95.04957	2.4
95.08607	6.5
97.02889	7.1
97.06533	16.3
98.97604	11.0
105.07018	4.9
107.08592	28.5
110.97587	3.9
111.04448	5.5
113.06012	47.1
113.58007	2.2
115.03915	5.0
116.98612	4.4
119.08554	2.8
121.10146	25.8
125.05984	14.2
125.09637	42.5
128.98625	3.5
131.04889	2.5
131.08554	9.3
135.04494	2.3
137.09586	3.0
139.11205	20.7
145.05020	3.3
149.09645	15.6
158.99702	2.7
163.03931	11.5
167.10672	38.4
177.00710	2.6
185.11742	100.0
203.12805	91.6
203.14745	3.3
219.01662	3.0
220.09639	2.8
237.02727	5.1
239.02396	4.2
316.39008	2.3
364.26788	5.5
382.27997	12.7
383.06323	2.6
383.14771	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85489	0.5
56.96564	7.7
65.30769	0.4
70.00639	1.6
71.95268	2.2
80.51752	0.4
97.30045	0.4
98.21413	0.7
98.97581	100.0
116.98619	49.2
132.44589	0.5
134.99661	16.2
140.00206	0.7
145.55507	0.4
153.00703	0.9
158.01268	0.9
177.00946	0.7
184.43272	0.5
189.00311	0.7
189.19348	0.5
198.97737	0.6
207.01418	1.5
216.98833	1.6
217.21313	0.5
219.02162	0.4
234.99870	1.8
240.98650	5.1
257.70578	0.5
258.99768	72.7
259.99963	2.2
261.02963	1.1
274.97440	0.6
277.00821	79.2
278.01035	1.6
279.01178	0.4
282.01309	1.9
283.00058	4.2
284.99820	1.3
291.02518	0.6
295.01956	0.7
300.02350	1.5
301.00995	4.6
303.00897	1.4
316.98746	0.7
359.00781	0.6
377.91879	0.5
378.17505	1.6
378.67444	0.4
382.99982	2.5
401.01306	8.0
403.74371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
61.37036	1.9
63.66209	2.1
69.03451	2.8
69.07066	3.7
69.75750	4.5
69.76157	10.0
70.02969	2.2
72.04519	9.7
73.02930	2.5
85.02908	5.5
85.06553	4.6
88.07626	6.0
90.05028	4.3
90.05557	59.8
95.04983	4.2
97.02900	3.5
98.02419	10.0
98.21491	2.9
100.91006	2.4
101.53194	2.4
103.07580	6.0
116.03459	8.6
124.07600	9.2
134.06435	2.1
142.08621	5.9
163.03923	5.4
166.08580	3.0
184.09616	12.3
189.73756	2.3
202.10754	23.8
202.12532	3.7
212.42653	2.4
220.11812	100.0
381.15799	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	382.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64645	3.4
55.05514	7.2
56.96556	6.9
57.03427	6.1
59.04980	3.8
60.04515	4.4
61.02947	3.5
69.03425	16.5
69.07065	9.7
70.01349	20.7
71.05005	8.0
79.05472	6.6
81.07040	29.4
83.04977	12.8
85.02897	19.1
86.09776	3.7
91.05442	4.0
93.07032	10.8
95.04963	6.8
95.08604	24.4
97.02882	8.0
97.06567	5.7
98.97569	7.9
99.04434	5.9
105.07024	4.8
107.08607	34.2
109.06535	4.4
109.10178	19.4
111.08056	5.3
111.11695	4.3
116.98643	8.8
121.10158	28.7
123.08082	8.7
125.09664	43.1
135.04456	5.8
136.08881	4.7
137.09624	15.4
139.11143	29.6
145.04897	5.7
149.09517	7.8
149.15228	3.4
152.69142	4.4
155.10645	10.0
157.12248	11.8
163.03906	14.6
167.10681	86.8
180.67284	4.4
185.11746	76.5
203.12788	100.0
319.10474	4.7
382.10330	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	381.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.05521	17.9
55.32989	3.1
56.96574	4.4
57.07065	5.7
65.03938	3.0
67.05213	3.1
67.05512	32.4
69.07071	31.7
70.65209	7.0
70.65545	2.8
71.05000	5.1
79.05508	20.6
81.07069	43.4
83.04964	6.4
83.08612	10.5
85.06506	2.9
91.05474	24.0
93.07047	53.9
95.04969	7.5
95.08611	75.2
96.08945	2.7
97.06528	6.7
97.10170	7.0
98.97562	2.7
105.07030	38.7
107.08601	66.5
108.19344	2.9
109.06544	3.4
109.10157	39.6
111.08116	4.1
115.05436	3.2
117.07024	9.2
119.08589	56.8
121.06498	3.3
121.10150	57.2
123.08086	4.8
123.11700	10.6
125.05916	3.0
129.06984	5.1
131.08583	19.6
133.10136	100.0
135.08055	4.0
135.11708	40.5
137.09598	3.8
137.13287	5.0
141.07021	3.9
142.07747	4.9
143.08585	9.5
145.10133	26.9
145.49338	2.7
147.11693	58.3
149.09682	4.2
149.13268	22.8
155.08582	3.3
157.10132	16.4
159.11702	33.6
161.09668	3.9
161.13255	20.2
163.11261	4.4
163.14848	15.0
171.11656	6.9
173.13274	29.0
175.14786	19.3
177.12738	12.1
177.16483	6.8
183.11713	4.8
185.13216	7.4
187.14865	14.4
189.16365	15.2
191.14351	23.1
191.17952	94.6
193.15881	5.6
197.13240	6.7
199.14757	6.9
201.16399	13.1
203.14366	3.4
203.17967	27.5
205.15840	3.1
213.12791	2.9
213.16394	10.2
215.17949	6.7
217.19511	12.7
219.17442	5.0
225.12816	2.8
225.90570	2.9
227.18091	7.5
239.17905	4.1
241.19455	4.4
246.60437	3.4
253.19492	5.1
267.08990	6.8
267.21146	4.1
269.22537	3.9
293.22464	3.2
307.24289	5.0
333.17462	4.6
363.21750	6.8
363.30457	23.7
381.27554	19.5
381.31528	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	381.3151
Annotation	Dendronesterone C
Peak:m/z	Relative Intensity
55.05508	4.2
56.96555	1.6
57.07072	2.3
58.60958	0.7
59.46638	0.9
67.05506	7.8
69.07074	5.7
71.05002	1.1
71.61314	1.3
79.05495	7.2
81.07055	15.5
83.04943	1.1
83.08624	1.9
85.02898	1.2
85.06538	1.2
91.04985	1.2
91.05473	7.1
93.07045	13.1
95.04957	2.1
95.08614	14.9
97.02902	1.3
97.06518	2.5
97.10172	1.9
103.05447	0.9
105.07030	16.8
107.04877	0.9
107.08595	16.4
109.06512	2.6
109.10168	9.6
111.11703	1.5
117.07026	3.6
119.08572	16.1
121.06545	1.3
121.10157	9.8
123.08080	1.1
123.11692	4.3
128.06152	1.3
129.07005	2.7
130.07747	2.1
131.08578	10.6
133.10133	11.8
135.08075	1.2
135.11697	11.3
137.09631	1.1
137.13202	1.0
142.07806	1.7
143.08572	3.7
144.09344	6.8
145.10118	23.4
147.08083	0.9
147.11691	7.9
149.13245	3.8
151.11143	1.5
155.08527	1.3
156.09378	1.6
157.10095	5.6
158.10983	1.3
158.58191	0.9
159.11691	38.4
161.13261	10.3
163.14801	2.5
165.12764	3.6
169.10126	2.2
171.11685	5.2
173.13281	13.9
175.14844	3.6
179.14307	1.1
179.94948	0.8
183.11676	1.8
185.13269	5.2
187.14807	3.4
189.16435	5.2
191.14394	1.0
191.17949	2.6
195.11760	1.5
197.13330	1.6
199.14844	2.9
201.16365	3.8
203.17929	3.7
207.17337	2.2
211.14853	2.0
213.16391	3.3
217.15726	1.2
225.16360	1.9
227.17976	4.5
229.19498	4.8
241.19553	3.2
267.09137	1.6
285.10126	3.6
289.21677	2.9
321.25494	1.0
363.30377	2.5
381.27112	4.9
381.31528	100.0
382.32016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50920	4.0
55.05514	22.2
57.07082	15.0
62.30683	3.7
67.05504	31.1
69.07073	28.4
70.50806	3.6
71.05000	4.3
71.08635	7.8
71.62803	6.8
79.05497	25.6
81.07061	77.4
83.08620	14.3
85.06548	3.4
91.05476	18.5
93.07052	50.1
95.04952	4.4
95.08044	6.3
95.08616	100.0
97.06539	4.0
97.10159	11.4
100.07574	4.1
105.07034	57.9
107.08603	63.8
109.10159	61.3
111.11732	4.7
117.07059	9.2
119.08585	57.7
121.10139	48.8
123.08085	4.3
123.11701	21.8
129.06978	5.5
131.08540	18.2
133.10133	85.0
135.11699	46.1
137.13278	14.6
143.08548	4.3
145.10110	26.0
147.11678	46.9
149.13257	30.7
157.10156	10.5
159.11697	27.7
161.13292	22.3
163.14845	17.6
165.12845	5.3
171.11757	10.8
173.13274	19.1
174.92578	3.3
175.14838	23.3
177.12851	5.4
177.16313	8.9
185.13312	6.6
187.14861	12.2
189.16396	18.8
191.14331	17.4
191.17952	61.8
193.15901	13.8
199.14839	5.9
200.11784	4.1
201.16393	13.8
203.14351	6.6
203.17967	38.8
207.17415	5.1
212.95067	3.7
213.16360	6.5
215.17972	7.9
217.19485	8.7
227.17999	6.8
229.19502	6.0
241.19524	4.9
243.21065	8.6
257.22595	4.5
269.22769	5.9
285.26175	4.4
293.22531	6.3
321.13507	4.1
363.30368	25.0
381.31439	69.1
381.35333	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	381.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01851	3.0
55.05511	14.5
57.03421	3.2
57.07067	4.8
65.03942	2.6
67.05508	25.6
69.07071	27.5
70.78062	5.6
70.78430	2.7
71.05000	3.2
72.08153	2.7
73.83141	2.4
79.05492	21.0
81.07053	49.6
83.04982	3.1
83.08624	9.4
85.06494	3.1
91.05492	22.9
91.44122	2.1
93.07041	56.9
95.04963	5.4
95.08603	72.6
97.06525	7.2
97.10169	7.0
105.07039	52.7
107.08591	72.0
109.06521	4.7
109.10149	47.3
111.08088	5.4
115.05444	2.4
117.07005	11.2
117.57045	2.7
119.08580	55.3
119.09427	2.9
121.10137	65.2
123.08060	7.1
123.11691	17.1
127.03927	6.0
129.06966	3.1
131.08568	24.4
133.10129	95.0
135.08084	6.5
135.11687	42.3
137.09607	5.3
137.13274	9.7
139.11133	2.4
143.08569	9.4
145.10121	35.1
147.11685	46.1
149.09673	3.2
149.13255	36.4
149.92256	2.3
156.09343	3.0
157.10152	9.5
159.11687	43.2
161.13251	26.1
163.11218	3.4
163.14818	35.7
171.11710	7.7
173.13258	18.1
175.11215	5.6
175.14795	21.1
177.12746	30.0
177.16380	12.2
179.14273	4.2
183.11749	5.7
185.13263	7.8
187.14822	13.1
189.12827	4.0
189.16328	14.0
191.14317	18.2
191.17953	30.3
193.15884	9.0
197.13199	3.0
199.14844	8.3
201.16399	22.4
203.14320	4.9
203.17937	47.2
205.19571	4.1
207.17392	4.7
209.13441	2.6
211.14798	4.3
213.16451	7.8
215.14429	2.8
215.17926	12.6
217.15916	7.1
217.19508	7.9
219.17427	9.5
221.19109	2.9
225.16356	3.3
227.17966	4.4
229.19374	3.7
230.86679	2.2
233.18974	5.3
239.18001	5.2
241.19543	5.0
242.96611	2.7
243.21077	4.2
253.19423	7.4
255.21181	3.8
257.19067	3.1
267.21124	9.9
271.20544	8.6
279.21246	2.8
285.22165	6.0
293.22498	3.9
297.22086	4.2
307.24548	3.0
311.23773	3.3
363.25818	4.7
363.30344	38.0
381.23907	4.6
381.27951	6.1
381.31573	100.0
382.31824	3.5
386.01147	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	381.315
Annotation	CHEBI:68392
Peak:m/z	Relative Intensity
50.44726	0.6
55.05504	3.1
56.83783	0.5
57.03415	0.7
57.07055	1.1
67.05506	4.8
69.07070	3.4
69.65674	1.8
69.66080	1.8
71.04974	0.7
71.27906	0.6
79.05488	5.3
81.07058	11.3
83.08600	2.3
85.06549	0.6
91.05484	6.2
93.07042	10.6
95.04943	1.1
95.08607	11.8
97.06509	1.4
97.10149	1.1
98.21532	0.7
105.06372	1.1
105.07034	13.4
107.08598	12.5
109.06535	0.8
109.10172	7.4
111.08063	1.7
115.05431	0.8
117.06994	3.8
119.08576	11.5
121.10159	7.8
123.08089	1.0
123.11732	3.0
125.09663	1.0
129.07014	3.3
130.07729	1.3
131.08571	9.3
133.10129	9.2
135.11702	9.4
137.13306	1.5
142.07787	1.6
143.08524	4.3
144.09335	5.9
145.10130	20.5
147.11688	5.6
149.13268	3.4
151.11197	1.3
153.12659	0.7
155.08524	0.9
157.10130	4.2
158.10901	1.3
159.11696	34.9
161.13260	9.6
163.14783	1.6
169.10114	1.1
171.11674	5.3
173.13255	11.9
175.14839	3.1
177.16325	1.1
183.11676	1.3
185.13251	4.1
187.14758	3.5
189.16328	4.2
191.17963	1.8
195.09940	1.8
197.13310	0.9
199.14781	2.1
201.16454	4.0
203.14308	0.6
203.17990	2.7
207.17407	1.5
211.14743	0.9
213.16371	4.0
215.18001	1.8
225.16382	2.1
227.17888	4.2
229.19499	5.4
239.17876	1.4
241.19519	2.7
251.17986	0.8
267.21167	0.7
349.10840	0.7
363.30338	2.7
372.14026	0.7
381.18436	1.7
381.26233	12.1
381.31488	100.0
382.31741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3152
Annotation	CHEBI:68392
Peak:m/z	Relative Intensity
53.03942	0.6
55.05507	2.0
57.03428	0.4
57.07067	1.0
67.05225	0.3
67.05508	3.4
69.07068	3.0
71.04990	0.3
71.45849	0.2
71.60902	0.3
79.05489	3.3
81.07060	7.3
83.04960	0.3
83.08638	1.9
85.06542	0.4
91.05478	4.4
91.40298	0.2
93.05162	0.2
93.07047	8.9
95.04973	0.5
95.08607	8.9
97.06524	0.9
97.10147	0.8
103.05452	0.3
105.07032	12.0
107.08592	12.3
109.06549	0.3
109.10161	5.3
111.08067	0.6
115.05424	0.5
117.06277	0.4
117.07027	3.5
119.08582	10.8
121.09287	0.5
121.10138	6.4
123.08022	0.4
123.11715	3.5
128.06209	0.9
129.06998	2.1
130.07819	1.4
131.07574	0.3
131.08568	8.2
133.10129	7.9
135.11693	9.2
137.13261	1.2
141.06976	0.3
142.07773	1.0
143.08562	3.9
144.09351	5.3
145.10126	20.1
147.11682	5.5
149.13268	2.9
151.11189	0.8
153.12704	0.3
155.08545	0.4
156.09367	1.4
157.10130	4.4
158.10942	0.6
159.11694	35.5
160.12125	0.4
161.13254	8.1
163.14810	1.3
165.12744	0.6
169.10086	0.9
170.10928	0.5
171.11688	6.4
172.12402	0.5
173.13264	11.3
175.14833	3.0
177.16411	1.0
183.11708	1.3
184.12508	0.5
185.13268	3.8
187.14851	2.3
189.16377	3.0
191.17973	2.2
195.11755	0.5
197.13293	1.1
199.14828	2.0
201.16379	2.9
203.17923	2.6
207.17456	1.1
211.14806	0.9
212.15543	0.3
213.16377	3.2
215.18025	1.7
217.19536	0.3
221.19067	0.4
225.16327	1.9
227.17946	4.4
229.19504	5.6
239.17992	1.3
241.19450	2.4
253.19550	0.3
267.20914	0.5
279.21194	0.5
285.22089	0.3
293.22644	0.3
311.14117	0.3
339.27161	0.3
363.30405	3.0
381.31519	100.0
382.31860	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.05511	20.6
56.96568	57.1
57.03431	11.2
57.07067	9.0
61.02930	28.6
66.84690	3.0
67.05506	49.8
69.03421	17.0
69.07076	19.7
71.08619	8.5
73.02919	9.0
74.97601	3.4
79.05489	32.1
81.03429	7.2
81.07060	58.4
83.04955	6.2
83.08625	11.8
85.02901	20.8
89.06024	14.1
91.03949	14.6
91.05475	20.5
93.07054	42.3
93.73204	3.2
95.04983	5.3
95.08607	54.0
97.02901	24.1
97.06532	4.8
97.10157	10.7
98.97612	15.2
101.02352	4.0
105.07042	33.2
107.08602	33.7
109.02893	6.7
109.06522	6.3
109.10162	26.9
117.07028	9.3
119.08595	28.3
121.10156	24.0
123.08095	4.0
123.11713	12.1
125.09624	5.3
127.03918	9.1
129.02312	3.3
131.08571	12.8
133.10143	31.8
135.11720	18.4
137.09622	11.1
137.13268	7.8
143.08611	5.5
145.04884	3.7
145.10106	18.4
147.03290	4.6
147.11699	19.3
149.09683	3.2
149.13271	12.0
155.03714	3.9
157.10146	5.5
158.99744	4.7
159.11684	20.2
161.13277	15.2
163.11220	6.6
163.14821	5.6
171.11728	6.6
173.04921	4.5
173.13295	8.0
175.14838	4.4
177.00711	5.9
177.12833	4.5
177.16389	5.2
181.05356	3.0
183.06784	4.3
185.13272	5.9
187.14816	10.9
189.11206	3.9
189.16341	4.3
191.14268	5.3
191.17984	15.8
197.13226	3.4
199.06410	10.4
199.14842	5.2
201.16397	7.7
203.05946	4.6
211.14792	3.9
213.16362	5.7
215.18033	5.6
217.07544	10.9
217.19438	3.4
227.17902	4.6
237.08044	3.8
239.09663	4.3
241.19498	4.7
255.09081	45.3
256.09390	6.0
261.21863	4.5
265.07462	27.1
273.10062	21.0
278.10666	7.7
283.08548	100.0
284.08905	6.5
289.18106	6.9
301.09601	65.3
302.09991	5.7
306.10184	18.4
317.17859	17.4
324.11191	3.9
335.25797	26.7
336.26193	5.7
363.29596	5.2
364.31308	5.0
381.18903	6.2
381.27322	7.5
381.31592	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64014	6.4
69.58875	42.0
108.08459	5.3
116.59130	5.4
194.79588	5.1
381.07959	100.0
400.38925	5.2
401.05814	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	381.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83389	1.8
55.01867	3.3
55.05505	2.4
56.96556	3.4
57.03430	2.1
67.05500	4.3
69.03423	4.3
69.07053	4.0
70.73368	2.4
70.73695	2.8
70.94256	1.7
71.04987	1.8
79.05496	2.2
81.03398	3.3
81.07046	4.2
85.02889	6.1
85.06554	1.9
85.50996	1.9
91.05474	4.8
93.07046	4.5
95.04973	2.7
95.08615	3.7
97.02917	3.3
97.06532	1.7
98.97562	6.7
105.07034	4.4
107.08562	3.3
109.06517	1.7
109.10146	4.9
110.97615	2.5
111.04426	1.8
116.98605	3.1
117.07045	1.9
119.04914	2.8
120.08114	2.9
121.10134	3.1
131.08586	2.7
133.10167	2.8
135.11664	2.2
136.07623	2.8
137.06003	2.8
145.10147	4.7
147.04382	4.8
147.11639	3.0
148.07626	2.3
151.07449	1.9
159.11668	2.4
161.13179	3.3
163.03912	2.0
169.12160	2.2
172.07501	2.1
173.07162	2.2
173.11771	3.5
173.13287	2.1
174.05460	4.5
181.05057	2.7
183.09274	3.0
184.07576	2.3
187.08621	5.3
188.07054	3.7
201.06552	3.4
201.16266	2.2
202.04935	2.5
211.08684	9.8
212.07114	2.5
214.08710	4.2
215.08145	19.7
221.07137	2.3
224.05627	2.9
224.85376	2.5
225.06721	2.6
229.05972	3.3
229.09676	4.4
233.09077	3.4
239.08148	28.3
243.07698	27.5
245.09151	4.9
248.05582	3.5
253.06178	3.6
257.09244	15.2
261.08731	10.8
267.07645	100.0
269.09320	3.3
271.07086	7.3
275.10257	3.0
285.08707	77.8
287.10315	2.2
289.08182	15.2
295.07202	12.9
303.09747	11.3
303.13245	4.4
313.08173	77.5
321.10785	11.7
321.14368	4.6
331.09247	97.4
339.11963	16.7
349.13950	6.9
363.11856	12.4
381.12921	17.0
381.16745	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02248	15.6
70.02650	12.2
172.37532	5.2
210.47343	4.7
214.85014	9.3
381.07913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.96567	12.3
59.75785	0.4
67.05496	1.2
69.07073	0.9
69.59827	1.6
69.60255	1.5
71.95251	1.5
72.08160	2.4
72.96056	0.8
79.05473	0.8
79.49146	0.4
81.07045	1.1
85.02915	0.4
85.55276	0.4
93.07033	0.6
95.08607	1.4
99.07359	0.4
102.81985	0.4
105.00142	0.6
105.07053	0.6
107.08602	0.9
109.10159	0.7
115.00627	0.5
115.39582	0.4
117.22779	0.5
119.08590	0.7
121.10175	0.6
123.01247	0.6
127.00671	0.5
131.08640	0.5
137.02779	0.6
145.10168	0.9
153.02235	0.9
155.03786	0.9
159.11801	0.5
161.04819	0.5
165.05843	0.5
171.03279	1.0
173.04816	0.9
175.06418	0.4
180.97780	0.5
187.06491	0.4
199.06435	0.5
207.10695	0.4
209.08719	0.6
213.08040	0.5
215.09480	0.5
227.09454	0.5
237.11679	0.8
240.48859	0.5
241.11160	1.0
243.14351	1.1
255.12706	1.0
261.15353	0.8
265.14758	4.7
269.14346	0.9
277.14682	1.0
283.15817	24.9
291.16260	4.6
293.14816	0.6
293.17917	1.9
295.15814	3.2
301.16846	7.7
303.16238	1.8
306.17401	1.7
307.15674	0.8
309.17358	19.4
311.18881	0.6
313.20370	0.5
319.16199	0.6
321.17371	18.6
324.18402	0.5
327.18484	5.1
332.18924	1.3
333.19067	0.8
339.18427	47.7
340.18835	1.2
344.18973	0.6
357.19476	100.0
358.19662	2.1
362.19974	4.1
371.21063	0.6
375.20554	18.3
380.21082	12.7
380.28464	1.3
380.31705	0.7
381.31903	0.6
398.22308	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	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38996	2.8
53.21938	2.8
55.01863	6.0
55.05507	7.0
56.96556	10.8
57.03421	6.4
60.04259	4.6
60.04533	64.9
62.79336	2.9
67.05510	26.3
69.03416	9.5
69.07059	7.6
71.04995	40.5
71.35359	6.5
72.08144	5.3
75.92333	3.0
78.05463	3.1
79.05484	8.8
81.03406	6.2
81.07047	9.6
83.04979	6.3
83.08650	4.0
85.02897	24.4
85.06519	9.5
87.04467	27.6
89.03906	5.8
91.05488	31.4
93.07056	18.5
95.04963	12.1
95.08607	11.8
97.02911	7.5
97.31120	3.0
98.97596	17.0
99.04450	6.0
99.17843	3.1
105.07030	16.0
107.08552	6.7
109.06497	7.4
109.10147	7.6
110.97592	5.0
111.08090	3.6
113.06007	31.0
115.03914	13.8
116.98592	9.1
117.07011	3.8
119.08591	19.9
121.06485	8.3
121.10162	4.4
123.08082	41.6
129.07005	6.9
135.04419	8.4
137.09625	38.6
143.00197	3.8
145.02808	4.6
146.99706	3.9
147.04385	11.6
147.08076	15.2
153.09219	4.7
154.08502	3.3
158.99597	3.7
161.01213	3.7
163.02711	3.6
163.03922	35.1
164.04221	4.8
165.09103	57.6
183.10164	100.0
201.11235	81.2
217.17914	4.0
219.01776	8.5
237.02837	11.5
344.24164	10.1
362.25427	57.6
380.26453	8.7
403.12811	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	379.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.0
55.56617	9.7
57.07076	16.4
67.05484	47.8
69.07048	41.6
70.31129	41.6
70.31483	9.5
71.08624	15.1
79.05489	33.1
81.07063	67.8
83.04935	13.5
83.08607	15.0
91.05468	20.5
93.07022	41.7
95.08597	79.3
104.54757	10.5
105.07017	37.4
107.08579	49.8
109.10157	26.4
119.08595	37.9
121.10109	25.4
123.11710	15.1
133.10114	38.7
135.11684	21.1
145.10088	37.7
147.11664	21.7
148.25598	12.4
149.13255	13.4
157.10127	24.0
159.11731	25.8
161.13271	14.8
169.12372	11.6
173.13260	18.5
215.17661	13.6
262.40579	11.3
333.27930	23.7
361.27484	52.1
379.25699	100.0
379.30008	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	377.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23260	2.2
53.03937	3.8
55.05508	14.8
56.96568	4.7
57.07079	5.4
66.03851	1.9
66.30539	2.2
67.05509	28.5
68.72041	2.5
69.07072	20.7
70.09436	4.5
70.09821	9.4
72.25275	2.7
77.29213	2.0
79.05502	15.2
81.07063	48.2
83.08624	11.1
91.05482	18.2
93.07048	30.2
95.04952	6.1
95.08606	100.0
97.06567	2.6
97.10169	6.8
98.97600	3.5
105.07043	39.6
107.08598	45.5
109.10147	33.8
111.11723	5.3
115.55743	2.4
117.07032	15.4
119.08588	77.4
121.10139	27.0
123.11728	14.4
129.07002	8.1
131.08582	49.5
133.10132	20.0
135.11687	17.5
137.09676	2.1
137.13292	2.9
142.07808	6.0
143.08553	39.2
143.09656	2.6
144.09341	3.0
145.10114	53.8
147.11679	11.5
149.13255	32.0
155.08580	7.4
157.10127	33.1
158.10983	2.8
159.11673	23.8
161.13286	7.5
163.14821	20.8
169.10136	17.4
171.11673	20.9
173.11911	4.6
173.13266	43.2
175.14778	12.4
177.16391	17.0
183.11696	9.8
184.12325	2.6
185.13286	14.7
187.14827	24.9
189.16368	5.9
191.18008	7.5
197.13200	6.0
199.14813	58.6
199.16531	3.5
201.16396	17.1
203.17957	12.5
211.14824	7.5
213.16408	14.0
215.17941	7.1
217.19595	6.6
225.16429	3.4
227.17979	9.9
237.16382	4.1
239.17929	24.1
241.19568	7.7
253.19507	12.2
255.21169	3.8
267.21155	4.9
281.22580	23.7
297.06393	2.5
307.24115	12.8
377.22647	12.1
377.27618	5.3
377.32068	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	28.9
55.15608	5.9
56.96563	5.8
57.07075	9.6
58.95454	7.0
61.02908	10.1
66.22651	6.5
67.05517	33.2
69.03431	20.8
69.07074	15.2
69.52426	42.1
71.04991	11.1
79.05485	14.8
79.50827	6.6
79.87242	5.8
81.03404	11.9
81.07056	80.0
83.08617	19.6
85.02906	100.0
85.06528	14.6
86.09700	8.4
93.07034	11.3
95.08611	65.1
97.02894	21.4
97.10161	18.0
98.21497	7.4
98.97594	12.5
99.04469	9.7
105.07035	12.8
107.08591	17.7
109.02872	15.4
109.10153	96.4
110.97641	6.7
119.08534	6.9
121.10151	9.4
123.11703	95.1
127.03941	23.8
137.05954	8.2
137.13220	35.4
145.04939	31.3
159.11626	8.6
163.05995	12.3
176.03383	9.4
179.17969	66.8
187.15050	6.8
189.00842	7.3
197.19035	14.0
203.08186	6.5
252.09442	31.9
252.59601	9.3
289.50281	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	377.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.1
55.33666	1.1
57.07061	3.6
67.05500	8.5
69.07059	5.4
71.08646	1.8
71.37232	2.0
73.04176	1.3
79.05482	3.9
81.07063	8.5
83.08616	2.3
85.06560	1.4
86.17908	1.0
91.05478	2.7
93.07031	4.4
95.04937	1.6
95.08610	11.6
97.06541	1.4
97.10152	3.1
105.06998	2.2
107.08571	3.9
109.10152	5.3
117.07034	1.7
119.08578	4.5
121.06466	1.2
121.10119	3.5
121.32173	1.0
123.11700	2.4
131.08546	2.7
133.10107	3.0
137.13231	1.2
143.08514	2.3
145.10098	3.9
147.11586	1.7
149.13266	1.7
155.08591	1.3
157.10103	2.2
159.11700	2.2
165.40732	1.0
168.00963	1.0
169.10077	1.6
171.11700	2.8
173.13304	2.7
183.11737	1.7
185.13225	1.3
189.16435	1.4
199.14767	2.2
223.14767	1.3
225.16278	1.8
239.17900	1.8
281.22711	7.5
359.29407	2.6
377.30286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54564	0.8
50.58900	0.7
56.96551	2.4
69.03423	1.3
71.61293	0.8
74.06067	1.3
75.53583	0.8
81.07115	0.8
85.02914	2.1
86.09682	2.6
89.03916	1.6
98.97592	9.4
109.02870	0.9
116.98615	3.0
127.03920	1.6
134.99747	1.1
135.04391	2.3
145.02806	2.0
145.05045	0.9
158.99706	1.9
163.03923	12.9
163.73158	0.8
164.04228	1.1
177.00732	1.8
179.03072	1.3
185.02066	4.9
189.12437	0.9
195.15126	0.9
197.04347	2.9
215.05264	13.0
219.01817	2.0
221.02893	1.1
237.02740	2.2
245.10039	1.0
254.17239	0.9
257.06943	2.0
270.96240	1.0
297.06381	1.9
331.07541	1.0
359.07318	2.4
377.08417	70.2
377.14117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03921	1.9
57.03438	8.5
59.04994	0.7
61.02927	4.4
69.03429	15.3
71.01347	2.4
71.04984	3.4
71.26743	0.8
71.27077	0.6
73.02919	2.5
75.04489	2.6
81.00335	0.5
81.03417	4.1
81.07046	0.9
85.02876	2.1
87.04424	0.9
91.05469	1.6
95.04961	0.6
97.02891	0.7
98.97569	0.5
99.04462	5.5
107.08540	0.6
107.96697	0.6
112.52149	0.5
116.98586	0.5
117.05476	1.0
137.05977	6.5
138.06288	4.0
139.21429	0.5
145.07588	2.1
170.07126	1.5
172.08701	31.5
174.10417	0.6
175.08618	0.5
179.10660	0.7
180.11020	1.0
190.09717	1.6
198.06636	8.1
200.08171	5.4
214.09724	0.6
215.14735	0.7
216.07701	15.3
218.09174	0.9
223.09180	0.5
237.82129	0.5
243.08775	74.2
244.07187	0.8
275.48654	0.6
316.13016	0.7
341.12573	0.7
359.13425	3.2
377.14554	100.0
378.14532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01861	1.1
55.05503	1.4
57.03421	2.7
59.59829	0.8
60.04537	0.8
61.02908	2.7
65.03932	0.7
67.62638	0.7
68.22787	0.7
69.03440	6.4
69.07056	1.6
70.06570	0.8
71.04996	2.3
71.61281	1.3
73.02909	0.8
75.47083	0.8
81.03412	2.4
82.52836	0.7
85.02905	13.4
87.04436	0.7
91.03917	1.2
91.05478	6.0
97.02900	3.6
98.97591	2.3
99.04438	1.1
107.08620	1.1
109.02858	1.0
117.64431	0.8
119.08601	3.1
122.03609	2.1
124.07579	3.3
125.05917	1.0
127.03897	2.1
137.05977	100.0
138.06363	1.0
138.09122	2.5
145.04944	3.4
147.08047	8.9
150.12813	1.4
172.08723	6.8
178.12340	0.8
179.07025	1.3
179.10686	16.5
180.08733	1.8
198.06624	1.6
200.08282	1.7
214.14360	10.8
216.07671	4.1
243.08792	13.8
315.33255	0.8
351.02927	0.7
376.19818	1.3
377.14566	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	377.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54863	1.8
57.03431	2.2
61.02921	3.4
66.02280	1.7
69.03402	7.2
69.91526	6.9
71.04982	1.7
72.08135	2.0
73.02885	2.8
81.03391	2.5
85.02905	13.4
89.03886	4.2
97.02869	4.6
97.83775	1.6
98.97547	7.0
101.00826	5.4
115.80062	1.7
117.03333	2.3
119.01900	8.2
127.03904	4.7
128.98587	1.9
131.01830	3.3
135.04443	8.0
143.00143	4.0
143.01843	4.6
145.03426	5.4
145.04849	2.2
155.01834	4.9
157.03426	3.1
158.99628	2.4
161.01228	1.5
161.02850	5.2
163.02740	1.9
163.03906	28.9
164.04193	3.4
169.03368	3.2
170.03413	1.9
170.99658	2.8
171.01233	1.6
171.04988	2.9
173.02882	4.7
177.00632	2.0
185.02107	5.1
187.04425	4.7
189.00690	2.5
191.03835	4.5
197.04286	4.1
200.04370	5.4
203.03813	2.8
206.04399	4.7
211.04430	2.1
213.02441	3.2
215.05281	13.2
219.01675	4.1
221.03015	1.8
221.04996	4.8
231.01414	2.2
231.03566	3.9
245.05031	2.5
261.02783	2.5
267.03802	3.0
271.06549	4.2
272.06384	1.8
275.02390	6.0
275.06213	4.0
279.03763	1.9
281.07004	4.1
287.06183	3.5
291.03754	3.6
317.06891	2.0
351.05765	2.6
359.07388	5.7
377.08258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29290	0.7
55.01841	0.8
57.03413	1.3
57.61201	0.8
60.04521	0.9
61.02916	2.5
69.03427	5.3
70.18767	1.6
70.19154	1.7
73.02889	1.0
78.45906	0.8
79.05519	0.9
81.03398	2.5
81.77267	0.7
85.02422	1.2
85.02905	20.6
86.62075	0.7
91.03942	1.0
91.05496	1.0
97.02884	6.7
98.97572	2.0
99.04415	1.6
109.02856	2.0
122.03615	1.1
124.07587	1.6
127.03944	4.4
128.02284	1.0
137.05975	100.0
145.04980	5.3
151.07518	2.3
158.99644	1.0
179.07034	31.5
180.08661	2.2
197.08054	5.2
214.10674	5.6
222.62740	0.9
264.27341	0.9
283.45224	0.8
376.19379	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	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.7
57.03432	3.9
61.02919	6.7
69.03439	16.2
69.75321	7.1
69.75734	7.3
71.04993	3.9
73.02930	5.0
79.05475	6.4
81.03405	5.8
84.96063	3.4
85.02910	45.7
86.09721	3.2
89.03927	10.7
91.05470	19.7
97.02906	16.9
98.97557	13.0
99.04446	5.3
107.04958	17.1
109.02874	5.0
110.97572	3.7
117.03429	11.4
119.04939	37.6
121.06483	5.9
127.03941	10.9
128.98622	5.0
131.04953	2.6
135.04427	38.3
135.81824	2.4
137.05972	25.2
145.02878	7.5
145.04878	11.3
147.04408	76.3
149.05980	15.6
151.07571	9.7
158.99657	3.6
163.03911	63.1
164.04169	4.4
167.07050	47.6
177.00681	3.5
179.05446	5.0
179.07039	100.0
180.10248	3.9
180.47096	2.7
181.94011	2.6
191.07057	3.0
203.07036	3.7
215.05222	4.4
219.01779	5.2
231.93848	3.1
237.02831	7.8
325.06033	4.0
376.16769	3.9
377.08453	16.9
377.14200	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	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.2
57.80282	8.7
69.03439	21.8
69.07046	13.4
70.65629	34.7
81.03393	12.4
81.07046	31.3
83.05009	12.2
85.02903	25.6
85.06502	13.2
86.09711	41.6
87.10040	15.1
91.05482	12.5
93.07024	22.6
95.08601	29.9
97.02888	10.2
105.07002	16.1
107.08596	14.1
111.08083	13.0
117.06986	9.6
119.08574	17.5
121.10134	36.3
132.10220	10.1
135.11655	11.5
137.06036	20.3
167.07016	13.2
175.07564	23.9
177.09209	11.0
177.16374	57.9
193.05048	16.8
212.20120	33.5
213.20456	96.1
216.14171	10.4
219.09990	13.6
244.13980	11.1
357.13422	10.6
375.20779	15.0
375.25699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44328	0.7
58.95223	0.8
67.05505	0.9
71.15948	1.5
75.19520	0.6
78.04730	0.9
79.05487	2.5
87.76324	0.6
91.05490	2.0
93.07050	1.3
103.05484	1.3
105.07037	10.5
107.04964	0.8
107.08597	0.8
115.05436	2.2
117.07018	3.6
118.04124	1.0
119.04955	1.9
119.08597	0.8
121.06492	1.4
121.42916	0.7
123.04472	1.5
123.08038	1.7
133.06496	9.1
135.08061	2.1
136.05347	0.8
137.05956	0.9
143.08519	1.6
145.06477	0.9
149.06039	0.7
149.09671	1.3
151.06456	0.7
151.07574	9.9
154.51115	0.7
161.05946	7.8
162.06752	2.4
167.07040	13.6
175.07558	2.3
177.09113	100.0
178.09370	1.1
185.10565	0.8
186.26289	0.7
190.76784	0.7
193.08606	40.1
195.10156	7.2
199.08745	1.0
200.09610	0.8
203.10652	0.9
219.90390	0.8
221.11725	5.4
227.08043	1.3
241.09721	1.6
255.07710	2.1
269.09207	1.4
315.09671	2.8
343.09058	0.8
375.11780	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	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68854	2.3
53.27346	2.5
53.70943	2.2
56.96566	32.9
67.05483	5.4
69.07056	3.2
70.06585	7.0
71.95254	4.7
74.97605	2.4
79.05467	3.2
81.07053	6.1
84.96032	3.7
88.07616	5.3
91.05518	2.4
93.07056	5.1
95.08585	5.7
97.96796	3.7
105.07000	2.7
107.08623	3.1
109.10172	4.0
110.97580	11.7
128.98607	22.0
132.10201	7.9
145.26544	2.4
146.99600	14.1
150.11237	6.4
154.90721	2.5
164.48557	2.4
179.02469	2.5
187.72458	2.8
189.04393	4.0
203.06020	3.1
214.16759	2.4
222.07634	3.7
245.89980	2.4
263.09531	8.1
264.10333	2.5
265.68375	3.0
269.12357	7.3
283.83762	2.6
315.12576	4.1
315.16245	59.3
330.33713	2.5
331.16052	3.6
333.17355	100.0
351.18414	34.7
356.19055	18.2
374.20044	3.6
374.36276	34.6
377.23184	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	374.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01851	1.0
57.03437	2.4
58.06604	0.5
59.04975	0.4
61.02938	3.3
67.05504	0.4
68.60442	0.3
69.03073	0.7
69.03428	10.1
69.05223	0.3
69.07035	0.7
69.58318	0.4
70.62065	0.3
71.01370	0.4
71.04988	1.1
71.52308	0.5
73.02924	3.3
74.97251	0.3
79.05500	0.5
81.03423	3.1
81.07043	2.2
85.02905	13.1
86.09701	1.9
87.04469	3.2
87.55697	0.3
88.07627	0.7
91.03947	1.0
95.08616	1.8
97.02897	5.7
99.04435	1.3
106.69263	0.3
109.02869	1.6
115.03900	0.5
122.03599	0.4
123.11685	0.7
124.07545	0.6
127.03931	2.8
137.05978	27.6
138.06239	0.4
145.04956	1.1
166.15916	4.8
167.07149	0.4
188.76517	0.4
194.19070	3.0
195.10129	0.7
212.20090	100.0
213.20428	1.5
239.49196	0.4
331.09549	0.3
374.25372	93.7
375.25696	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.18
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
53.03928	1.6
55.05492	1.1
55.69838	1.0
65.03922	1.0
67.05486	3.0
69.03419	2.4
69.07065	1.3
71.04983	2.6
71.13206	1.1
71.61914	1.6
79.05485	4.7
81.03410	1.7
81.07043	3.2
85.02888	2.3
88.00081	1.1
91.05470	6.2
93.07014	3.5
94.04164	2.2
95.04963	3.5
95.08587	3.0
97.06529	1.5
98.97599	1.9
99.04428	1.3
103.05464	34.1
105.07037	9.6
107.04930	3.6
107.08596	2.2
108.05721	1.2
109.06498	1.9
111.52184	1.0
117.07053	1.7
118.04091	2.1
119.04956	3.0
119.08582	2.2
120.05695	1.5
121.06525	5.8
121.10163	2.1
122.03642	8.9
123.04476	3.0
123.08031	1.6
124.05183	1.3
124.07609	1.1
127.03942	1.9
129.06964	1.2
131.04926	61.3
133.06482	5.8
135.08043	2.3
135.21970	1.1
136.07578	1.7
137.05975	100.0
137.09569	1.9
145.06415	1.6
145.10065	1.4
147.04439	2.1
147.08069	1.2
148.05162	1.4
149.06009	6.0
150.06754	2.4
151.03873	3.6
151.07512	4.6
160.05141	1.4
161.06007	5.1
161.09729	1.5
162.06728	1.1
163.07544	51.7
165.05511	3.1
165.09113	9.1
166.06242	2.9
167.07054	7.8
175.07553	2.7
177.05461	1.5
177.09073	3.2
177.16399	1.5
178.06311	1.1
179.07005	3.6
181.08585	15.4
191.07005	2.3
193.08606	52.9
195.10126	3.5
198.58586	1.2
203.07086	1.7
207.10123	6.9
211.07825	1.4
211.09663	11.2
219.10175	1.2
225.11201	9.4
230.77022	1.1
237.02969	1.5
327.12238	1.2
329.13699	1.2
343.15002	1.9
375.13989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.09634	0.2
51.58009	0.2
53.03938	0.4
55.01873	0.5
56.96558	0.2
57.03418	0.8
61.02930	1.0
63.78283	0.2
67.05466	0.2
68.75721	0.2
69.03080	0.2
69.03435	3.4
70.91703	0.2
71.04987	0.3
71.60809	0.4
73.02908	0.6
73.08861	0.2
77.64371	0.2
79.05528	0.2
81.03410	1.3
81.07050	0.5
83.25098	0.2
84.04497	0.4
85.02908	9.2
85.03425	0.5
86.09686	0.6
87.04448	0.8
87.18774	0.2
91.03947	0.6
91.05477	0.6
93.98214	0.3
94.04165	0.7
97.02896	3.1
98.97592	0.4
99.04460	0.5
105.06991	0.3
107.04926	0.4
107.08589	0.2
109.02884	0.7
110.59530	0.2
115.03876	0.2
122.03646	2.1
124.07574	0.4
127.03916	1.8
137.05977	100.0
138.06297	1.0
145.04984	1.6
147.04404	0.2
161.06027	0.3
166.15909	0.7
167.07066	0.3
175.74457	0.2
177.09120	0.3
180.08676	0.6
194.19070	0.6
195.10146	3.7
212.12836	0.9
212.20097	13.4
352.03336	0.2
359.29840	0.2
374.13855	0.4
374.18695	4.7
374.25412	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	373.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
53.05342	3.6
55.01874	4.0
55.05507	28.6
56.96551	6.3
57.03433	6.2
57.07063	10.7
67.05503	37.5
67.81392	3.9
69.03418	9.7
69.07072	47.9
69.94578	15.3
70.31681	4.0
71.04981	6.4
77.03979	3.9
77.78687	3.6
79.05506	24.5
81.07059	100.0
83.04978	9.2
83.08631	27.2
85.06541	13.5
91.05492	18.3
93.07046	50.4
95.05014	8.5
95.08607	69.9
97.06549	19.5
97.10157	9.3
99.04459	16.6
101.06010	4.3
105.07005	32.4
107.08592	44.3
109.06496	11.2
109.10160	43.3
111.08086	7.1
111.11750	4.8
113.09522	3.8
117.06970	4.4
119.08585	23.8
121.10155	26.9
123.08046	12.5
123.11703	24.5
125.09595	5.0
127.07549	8.5
131.08588	9.3
133.10127	23.3
135.08153	5.0
135.11703	38.7
136.20444	3.9
137.05998	20.8
137.13237	11.5
140.02313	3.8
143.08542	7.4
145.10114	12.9
147.11681	32.2
149.09573	6.8
149.13232	15.6
151.11200	35.9
151.14879	4.9
153.09058	7.1
157.10117	7.6
158.59067	4.2
159.11713	10.4
161.13197	6.4
163.11099	4.9
163.14905	3.6
165.12711	15.9
167.14340	5.6
169.10092	4.7
170.24991	3.6
173.17039	3.6
175.11145	9.6
175.14799	4.5
177.09166	4.8
177.12778	11.6
177.16235	5.7
177.55191	4.1
179.10733	7.4
181.12227	10.8
187.14819	4.3
189.16359	4.5
193.12279	16.1
193.15787	4.0
195.13849	11.5
203.17897	4.7
207.13795	9.1
235.17012	4.0
251.46155	4.3
301.25223	10.6
319.26254	49.4
337.27377	40.2
373.19702	8.5
373.23663	5.6
373.31000	9.5
389.95282	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.87253	5.5
52.40070	5.2
55.05495	11.2
56.71050	5.5
56.96557	8.5
57.03440	6.7
57.07066	7.8
67.05495	20.9
69.03429	13.1
69.07044	17.1
71.04990	18.2
71.61057	5.5
71.61544	7.6
74.91830	5.0
79.05489	16.6
81.03403	6.9
81.07047	20.6
83.04999	8.3
83.08620	7.4
85.02893	29.2
86.09683	8.0
91.05504	12.7
91.22596	5.1
93.07029	18.3
94.90724	5.3
95.04941	9.8
95.08609	23.6
97.02893	12.4
97.06505	7.8
98.97584	8.0
99.08081	7.7
103.05447	9.1
105.07038	13.6
106.04221	6.1
106.54974	5.1
107.04955	16.4
107.08583	27.1
109.06501	9.1
109.10154	65.0
111.04462	5.6
116.98633	5.2
119.08587	31.6
121.10149	11.3
123.04450	6.1
123.08077	12.4
123.11720	8.3
123.64568	5.1
124.05209	6.9
130.65402	6.2
131.04921	21.6
133.06430	7.5
133.10100	23.3
135.11678	76.0
137.05971	51.1
137.09583	15.8
149.13139	5.3
151.03902	9.1
151.07494	8.4
151.11098	8.2
159.11697	7.7
161.05927	8.7
163.07521	16.5
167.07037	100.0
175.07497	22.1
175.14812	29.1
176.01021	5.2
182.14035	5.7
191.07072	12.0
193.08498	12.9
193.15868	53.7
211.09526	6.8
211.16931	38.3
253.08775	7.1
263.06680	6.3
281.08380	5.7
295.09378	7.9
313.11774	13.6
323.12216	9.7
327.12244	15.4
329.13571	10.3
341.13696	24.7
355.15366	10.3
364.71710	10.1
373.09195	7.6
373.13654	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	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	31.2
67.05493	45.5
69.03424	10.8
69.07079	45.7
71.04975	9.8
71.60851	9.5
79.05486	37.3
81.07059	100.0
83.04967	14.4
83.08637	20.5
85.06545	13.3
91.05469	37.6
93.07047	67.0
95.04971	20.0
95.08593	64.6
97.02839	10.3
97.06517	20.0
105.07023	53.3
107.08581	59.2
109.06525	17.8
109.10145	38.9
110.75755	9.3
111.04484	11.5
119.08584	46.7
121.10137	54.0
123.08072	16.6
123.11694	20.1
125.05982	19.4
126.79044	7.3
129.06961	11.0
131.08546	16.3
133.10158	52.5
135.11673	24.7
137.05972	60.4
137.13290	27.8
143.08513	14.8
145.10132	29.7
147.08005	10.0
147.11708	45.3
149.09697	8.2
149.13275	22.2
151.07549	11.7
151.11177	19.5
155.07037	10.2
155.08635	8.8
157.10109	15.5
159.11693	28.4
161.09584	10.1
161.13266	21.6
165.09215	9.0
165.12756	8.8
173.08051	11.9
175.14850	11.3
183.11650	15.0
187.14795	9.5
189.16377	16.8
193.12299	25.6
197.13338	14.6
201.12636	8.3
201.16339	9.0
229.14388	16.3
319.26389	26.3
327.26816	10.9
337.21545	28.0
337.27319	22.3
355.22647	37.7
373.19702	11.1
373.23499	17.1
373.27759	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87253	5.5
52.40070	5.2
55.05495	11.2
56.71050	5.5
56.96557	8.5
57.03440	6.7
57.07066	7.8
67.05495	20.9
69.03429	13.1
69.07044	17.1
71.04990	18.2
71.61057	5.5
71.61544	7.6
74.91830	5.0
79.05489	16.6
81.03403	6.9
81.07047	20.6
83.04999	8.3
83.08620	7.4
85.02893	29.2
86.09683	8.0
91.05504	12.7
91.22596	5.1
93.07029	18.3
94.90724	5.3
95.04941	9.8
95.08609	23.6
97.02893	12.4
97.06505	7.8
98.97584	8.0
99.08081	7.7
103.05447	9.1
105.07038	13.6
106.04221	6.1
106.54974	5.1
107.04955	16.4
107.08583	27.1
109.06501	9.1
109.10154	65.0
111.04462	5.6
116.98633	5.2
119.08587	31.6
121.10149	11.3
123.04450	6.1
123.08077	12.4
123.11720	8.3
123.64568	5.1
124.05209	6.9
130.65402	6.2
131.04921	21.6
133.06430	7.5
133.10100	23.3
135.11678	76.0
137.05971	51.1
137.09583	15.8
149.13139	5.3
151.03902	9.1
151.07494	8.4
151.11098	8.2
159.11697	7.7
161.05927	8.7
163.07521	16.5
167.07037	100.0
175.07497	22.1
175.14812	29.1
176.01021	5.2
182.14035	5.7
191.07072	12.0
193.08498	12.9
193.15868	53.7
211.09526	6.8
211.16931	38.3
253.08775	7.1
263.06680	6.3
281.08380	5.7
295.09378	7.9
313.11774	13.6
323.12216	9.7
327.12244	15.4
329.13571	10.3
341.13696	24.7
355.15366	10.3
364.71710	10.1
373.09195	7.6
373.13654	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87253	5.5
52.40070	5.2
55.05495	11.2
56.71050	5.5
56.96557	8.5
57.03440	6.7
57.07066	7.8
67.05495	20.9
69.03429	13.1
69.07044	17.1
71.04990	18.2
71.61057	5.5
71.61544	7.6
74.91830	5.0
79.05489	16.6
81.03403	6.9
81.07047	20.6
83.04999	8.3
83.08620	7.4
85.02893	29.2
86.09683	8.0
91.05504	12.7
91.22596	5.1
93.07029	18.3
94.90724	5.3
95.04941	9.8
95.08609	23.6
97.02893	12.4
97.06505	7.8
98.97584	8.0
99.08081	7.7
103.05447	9.1
105.07038	13.6
106.04221	6.1
106.54974	5.1
107.04955	16.4
107.08583	27.1
109.06501	9.1
109.10154	65.0
111.04462	5.6
116.98633	5.2
119.08587	31.6
121.10149	11.3
123.04450	6.1
123.08077	12.4
123.11720	8.3
123.64568	5.1
124.05209	6.9
130.65402	6.2
131.04921	21.6
133.06430	7.5
133.10100	23.3
135.11678	76.0
137.05971	51.1
137.09583	15.8
149.13139	5.3
151.03902	9.1
151.07494	8.4
151.11098	8.2
159.11697	7.7
161.05927	8.7
163.07521	16.5
167.07037	100.0
175.07497	22.1
175.14812	29.1
176.01021	5.2
182.14035	5.7
191.07072	12.0
193.08498	12.9
193.15868	53.7
211.09526	6.8
211.16931	38.3
253.08775	7.1
263.06680	6.3
281.08380	5.7
295.09378	7.9
313.11774	13.6
323.12216	9.7
327.12244	15.4
329.13571	10.3
341.13696	24.7
355.15366	10.3
364.71710	10.1
373.09195	7.6
373.13654	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05492	14.8
57.03424	5.6
57.24810	3.9
58.37486	3.0
59.05003	8.8
63.20776	3.1
64.98607	3.1
66.40749	3.2
67.05508	26.1
69.03419	13.0
69.07056	10.2
70.72464	5.4
70.72784	5.1
79.05485	6.8
80.10134	3.2
81.03412	6.4
81.07037	15.0
82.13897	3.3
83.04981	67.0
85.02908	32.0
86.09686	3.5
90.96798	2.8
91.05489	4.0
93.07033	6.0
95.04977	17.8
95.08619	17.5
97.02882	8.9
99.04426	4.4
100.46536	3.3
105.06991	5.1
107.08582	6.8
107.56839	3.1
109.06518	7.7
109.10160	37.5
111.08076	3.6
112.87401	3.4
119.08566	8.3
121.10105	7.5
127.03918	8.8
133.10059	4.7
135.11674	9.3
137.06000	7.8
137.09622	92.7
149.09615	4.3
151.11229	3.8
155.10623	13.9
167.06955	3.8
175.14815	10.1
193.15875	47.5
235.16978	3.8
324.54919	3.8
373.18298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05494	14.5
60.69801	3.2
67.05504	26.7
69.03420	11.4
69.07068	25.4
70.65700	6.9
70.66036	5.8
79.05498	5.8
81.07046	25.4
83.04963	13.8
83.08606	7.1
85.02894	8.9
86.09691	12.0
90.95155	3.2
91.05463	8.2
93.07035	15.8
95.04972	4.8
95.08608	53.9
97.06502	4.5
99.08081	5.4
103.05458	6.9
105.07023	10.1
107.04938	6.5
107.08598	26.7
109.06502	8.2
109.09449	5.9
109.10162	93.5
111.08038	6.7
119.08565	37.5
121.10108	18.3
123.08073	23.8
123.11700	17.2
130.06522	44.4
131.04951	5.8
133.10156	25.7
135.11700	68.0
137.05981	31.9
137.09613	24.8
145.02811	4.1
149.13235	6.9
151.03857	20.1
151.11150	14.8
151.14816	12.6
153.05424	4.7
157.07625	100.0
161.05956	4.2
163.07565	8.0
165.16400	5.8
169.07562	3.7
175.07547	5.3
175.14827	53.6
177.05441	9.7
185.07133	9.5
191.07014	5.5
193.12099	3.9
193.14172	5.5
193.15887	72.1
202.20012	4.1
211.16913	78.1
214.09769	15.3
214.22446	3.9
242.09190	15.7
305.65640	3.7
329.13956	5.9
341.13925	13.1
355.15775	4.3
363.18579	3.7
373.12933	12.7
373.18515	75.1
373.25623	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46787	0.4
56.96552	1.0
60.61964	0.4
66.72909	0.5
67.05478	0.5
67.10268	0.5
70.13867	1.7
71.05001	0.5
72.08154	2.6
72.98695	0.4
79.05486	0.9
81.07041	0.7
85.02892	0.6
86.09727	1.1
91.05457	0.9
95.04966	0.5
95.08572	0.5
98.97581	1.0
103.05431	0.6
107.04971	2.5
107.08596	1.2
116.98625	0.7
123.04400	0.4
133.06456	0.5
135.08067	1.2
137.05984	3.8
147.04509	0.5
163.03877	1.0
163.07550	1.0
167.07065	2.1
171.11307	0.7
193.12033	1.8
195.10179	1.3
203.05321	2.1
207.19989	0.3
242.61305	0.4
265.08185	0.5
279.10098	0.4
373.13245	4.7
373.18323	100.0
374.18817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.46537	0.6
63.54924	0.5
63.86563	0.5
66.91412	0.5
69.03408	0.6
71.14897	0.9
71.15268	0.9
94.55917	0.5
193.11996	2.2
195.13608	1.6
201.03720	1.9
203.05243	8.0
203.07043	0.6
211.13116	0.7
253.12743	0.9
340.92279	0.6
373.18329	100.0
374.18658	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	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01869	1.7
55.05502	12.0
57.07072	2.1
64.48658	1.7
65.03924	1.9
67.05495	1.3
69.07045	1.5
69.51839	3.0
69.52238	8.6
70.06599	2.7
78.04700	4.2
79.05497	7.3
81.07056	2.3
82.35019	1.3
83.04980	3.7
83.08612	6.5
84.08176	1.2
85.06539	2.6
91.05467	11.6
93.03368	1.4
93.07025	3.9
94.04173	1.2
95.04957	3.9
98.21553	2.2
98.97552	1.5
100.07609	5.5
100.11257	23.9
101.05985	1.6
102.04680	2.0
103.05469	19.5
105.07039	14.8
107.04925	6.4
108.05769	2.8
109.06517	2.3
111.04430	12.2
112.07582	3.1
112.11370	1.2
114.09138	2.6
115.05444	3.1
117.07027	3.2
118.04173	5.5
119.04954	4.0
119.08546	2.8
120.05689	1.6
121.06502	5.0
122.07265	2.2
123.04440	1.7
123.08070	3.7
126.09138	2.3
128.07104	6.9
130.02884	3.4
130.04060	1.9
131.04935	21.6
133.06493	15.5
134.07237	1.9
135.04425	2.3
135.08078	3.8
136.05168	11.0
137.04976	2.0
137.05983	23.4
137.07018	1.6
137.09593	1.7
139.07549	1.5
140.07080	4.0
145.06468	2.5
146.03630	2.6
147.04385	3.1
148.05173	2.2
149.04871	2.3
149.05986	17.7
150.06766	7.4
151.07547	14.0
152.07080	2.6
152.08324	42.4
161.05975	11.7
162.06795	3.9
163.07542	27.6
165.09122	11.1
166.06305	3.0
167.07031	11.4
175.07536	2.6
177.05472	13.9
177.09138	2.6
178.06342	1.5
178.09900	1.2
179.07066	2.6
181.08641	2.2
182.15405	30.8
193.08618	34.5
195.10150	2.5
204.02892	11.1
207.07979	2.9
208.66475	1.3
209.11607	2.1
210.14879	41.4
211.09669	28.2
211.11127	0.8
219.08102	1.7
220.08926	2.0
221.05922	2.7
222.03937	4.8
224.08322	2.1
227.17493	2.9
228.15945	16.1
233.06105	1.4
235.07497	2.8
237.09126	2.3
239.07191	2.0
239.11768	1.8
245.18689	2.3
248.08279	2.3
251.07008	2.0
252.07494	1.7
253.08957	1.5
254.09541	1.3
265.08627	2.1
267.10138	2.8
269.08310	1.5
277.08591	1.3
280.07312	1.7
280.10895	1.7
281.07996	2.2
293.08054	1.4
295.09747	5.2
295.13196	3.0
297.11099	1.8
308.10510	2.1
309.11310	3.0
313.11441	3.9
323.12677	6.1
327.12305	3.4
327.15924	1.4
329.13791	4.3
331.09317	2.2
337.21219	21.2
341.13824	100.0
342.14114	1.8
355.08774	1.9
355.15533	2.1
355.22235	16.4
373.10120	4.3
373.16940	6.5
373.23428	3.4
376.15027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60753	3.1
53.54995	3.2
56.96548	12.5
57.03428	6.9
64.38415	3.5
69.03439	6.0
69.69618	6.7
69.70020	17.8
73.02908	6.3
73.04771	5.4
79.05483	8.8
81.03403	6.1
85.02909	17.5
89.03915	9.3
91.05817	7.2
95.04976	6.9
97.02915	6.5
98.97570	11.8
103.05460	18.0
105.07001	6.9
107.04960	100.0
115.03924	4.0
115.05453	4.2
120.05752	5.5
122.03631	5.1
128.98584	4.4
131.04893	5.3
133.02837	7.8
133.04890	3.5
135.04416	9.2
135.08055	26.6
137.05974	38.5
143.00099	3.9
145.02815	5.1
145.07596	4.8
146.05215	4.5
147.04347	4.4
161.01193	6.5
163.03912	37.5
163.07542	97.8
167.07030	49.3
181.05058	4.5
195.10158	53.1
214.52698	3.2
220.96178	3.3
221.06029	3.9
235.81053	3.2
237.00659	8.4
237.02917	4.8
249.02904	5.3
255.01727	3.8
287.00754	3.6
329.91156	3.4
357.06586	6.6
373.10690	3.5
373.14557	62.6
373.18396	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.6
56.96549	1.8
61.02931	0.8
69.03415	2.5
69.48631	2.6
69.49056	1.7
70.06583	0.8
72.08144	0.8
73.02917	0.9
73.04739	0.9
77.52752	0.6
79.05503	0.6
81.03441	0.9
84.08132	1.5
85.02920	3.4
86.09723	0.7
91.05775	1.9
97.02897	2.7
98.97543	2.8
101.00878	5.4
103.02443	0.8
107.04961	1.3
107.74855	0.6
109.02892	0.8
113.00871	1.3
115.02417	1.9
116.98640	0.6
119.01917	8.2
122.03587	0.5
127.03973	0.6
128.98569	1.0
128.99545	0.6
129.03976	1.1
131.01909	6.6
131.05545	2.5
133.03459	1.9
136.06143	1.2
136.07571	0.8
137.02985	1.1
137.05988	5.2
138.96432	0.9
143.01889	19.3
145.03455	3.1
145.04771	0.7
146.99713	0.6
147.03271	0.7
147.05045	0.8
149.06624	4.6
155.01912	7.0
155.05548	1.4
156.02675	0.6
156.97481	8.4
157.03447	0.9
159.05003	1.3
161.02954	20.5
163.03899	1.7
163.07483	1.2
163.08701	2.2
164.07077	14.7
167.07033	0.8
171.05022	1.4
173.02975	7.0
173.06586	10.0
174.98517	7.2
175.04501	0.9
177.00714	0.8
177.06056	2.2
180.97488	1.8
182.98978	0.6
185.02985	0.7
185.06577	10.4
187.08238	2.1
191.07591	2.8
193.01103	1.7
195.10152	1.1
195.74568	0.6
197.06610	1.4
198.98529	20.5
199.08084	0.7
201.00134	0.8
203.04045	2.0
203.07619	6.9
210.98730	1.1
211.02161	16.4
211.04189	1.1
213.00179	1.0
215.07571	3.3
216.97470	1.5
216.99594	5.9
219.01753	1.5
221.05037	6.5
222.00267	0.7
222.98558	2.7
225.00082	1.8
227.07666	1.0
228.99727	1.3
229.03236	22.5
233.08635	1.6
234.98528	6.1
237.02789	1.3
240.99573	3.1
252.99721	1.3
253.03105	0.7
257.08762	1.5
264.99600	0.7
271.04514	0.7
275.09793	7.9
283.00656	6.5
293.10843	9.3
301.01672	7.6
309.16129	0.6
319.13138	0.6
339.13837	0.7
355.15027	1.7
373.07413	100.0
373.15439	2.5
374.07736	1.2
389.53107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12801	1.7
55.01867	2.5
57.03447	32.6
61.02928	15.0
69.03436	34.1
70.03152	5.9
72.08128	3.3
73.02921	60.2
73.04752	3.0
76.05515	1.8
79.10636	1.8
81.03416	7.0
85.02910	100.0
85.03424	5.1
87.04491	4.8
91.03941	3.7
91.05816	3.3
97.02899	39.8
98.97583	3.7
99.04446	4.1
109.02875	6.0
115.03931	32.1
117.03427	2.1
127.03922	29.6
133.05020	9.5
143.25749	2.2
145.04958	55.5
145.06114	2.7
159.10583	1.9
163.03905	6.4
163.05991	28.5
172.45288	2.2
223.05919	4.1
223.11745	3.4
241.07069	5.4
259.08081	2.9
286.01245	3.1
295.10364	2.9
354.15314	3.8
356.07004	2.5
372.16446	24.8
373.87064	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	372.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
56.96558	1.6
57.03432	2.1
61.02916	3.4
62.62673	0.7
69.03434	6.9
70.50595	0.7
70.50921	1.9
71.04980	1.8
72.04498	1.7
73.02912	1.9
73.04743	1.6
79.05499	1.3
81.03413	3.1
85.02908	17.8
87.04475	1.7
91.05383	0.9
91.05846	1.8
97.02876	5.9
98.97572	1.7
99.04436	1.2
103.05470	2.4
105.07042	5.9
107.04958	1.8
109.02865	2.1
117.07027	1.7
118.06548	2.1
119.07310	3.2
119.08658	0.8
120.08087	4.8
121.02866	1.5
127.03896	3.6
129.05530	1.0
129.06993	4.4
130.47575	0.7
131.04939	1.8
141.13521	0.7
145.04997	3.3
146.09650	5.2
163.03894	0.9
164.10718	100.0
192.10194	1.6
210.11259	91.5
258.19888	0.9
269.97745	1.4
286.01059	1.2
356.07193	1.0
372.16711	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39795	6.9
67.05487	8.0
69.03420	12.7
69.47105	47.6
79.05474	18.2
81.03398	7.6
81.07043	20.2
85.02895	13.4
91.05456	9.3
93.07033	10.6
105.07031	15.8
107.04949	23.1
107.08581	31.1
109.06500	13.0
113.46804	7.2
117.03412	7.6
119.08601	12.6
121.10144	25.1
129.05524	7.2
131.04922	18.3
131.08572	8.0
132.05695	11.8
133.10150	100.0
135.08049	11.1
137.05859	8.0
137.09616	75.1
147.11699	15.4
149.09593	9.9
149.13217	21.2
151.11192	12.1
154.09651	6.5
156.05754	14.5
165.12769	13.1
167.07054	67.7
173.13292	14.3
179.06967	7.5
191.14352	69.1
192.07793	32.8
203.65170	6.9
209.15387	48.3
217.08594	48.9
218.07198	13.8
219.08086	16.8
235.07513	10.0
236.08211	12.0
247.07527	9.7
261.09058	12.0
264.07724	9.7
279.10144	21.5
307.09503	21.3
311.12717	19.9
339.12491	41.2
371.14999	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01878	1.2
55.05510	1.3
55.23692	0.2
57.03441	1.7
57.07075	0.8
59.05001	0.7
61.02929	3.1
61.89522	0.2
67.05521	2.0
69.03432	12.0
69.07059	1.6
69.33806	2.1
69.34205	0.5
71.05006	1.5
73.02911	1.1
79.05504	1.3
81.03419	7.2
81.07063	3.2
81.88183	0.3
83.04980	3.1
83.08631	0.7
85.02909	25.9
85.06568	0.5
87.04477	0.7
91.03959	1.2
91.05486	2.1
93.07037	2.2
95.04971	3.2
95.08608	4.1
97.02895	6.8
97.06526	0.7
99.04443	1.2
99.08118	0.8
101.55822	0.2
105.07030	2.9
107.04949	0.5
107.08595	6.6
109.02898	2.4
109.06528	5.8
109.07235	0.2
109.10157	2.4
111.08102	0.4
115.03940	0.4
117.07032	0.3
119.08575	2.9
121.06505	0.9
121.10146	9.9
121.11019	0.5
122.07275	1.5
123.08062	4.2
123.11711	3.0
124.29069	0.2
125.09647	0.3
127.03925	5.1
129.07077	0.4
131.04932	0.4
131.08574	1.1
133.10126	2.2
135.08055	1.9
135.11710	1.0
137.05989	0.7
137.09622	11.2
137.13246	1.2
143.08578	0.3
145.04967	4.9
145.10164	1.0
147.11691	2.3
149.09627	7.4
149.13251	5.7
151.11188	14.5
158.10930	0.7
161.09599	0.6
163.06117	0.3
163.14830	1.0
165.12759	43.1
166.13109	0.5
167.07088	0.5
173.13234	1.8
191.07077	0.3
191.14308	14.1
193.15913	1.5
209.15369	100.0
210.15721	1.5
213.48822	0.2
217.08563	0.6
237.02805	0.2
249.09261	0.3
261.09137	0.3
264.70599	0.2
295.09619	0.3
309.11240	0.3
339.12012	0.4
353.13586	0.4
371.14450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12841	1.1
52.00835	1.1
55.01847	1.5
55.05509	1.2
61.02929	1.6
67.05492	2.2
69.03427	4.4
69.07051	1.7
70.95224	2.1
71.04994	4.9
73.02902	1.4
81.03419	1.7
83.04972	1.9
85.02898	9.5
89.06005	1.2
93.07045	2.0
95.04967	100.0
97.02892	3.2
98.97581	1.2
99.04447	21.7
105.07005	1.2
107.08629	1.2
109.02884	1.4
109.10152	1.8
127.03932	1.5
131.08543	1.0
133.10124	4.7
133.65073	1.2
137.05962	1.6
138.31673	1.0
138.51703	0.9
145.05023	0.9
151.11180	1.1
153.09111	32.6
162.29431	1.0
167.07068	1.3
173.13313	3.2
191.14299	4.0
209.15363	28.7
209.17334	1.5
217.08504	1.2
285.07651	1.2
300.09943	1.9
304.53391	1.1
335.00330	1.0
353.13837	1.6
359.91901	1.0
371.16757	94.2
372.17029	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
67.05480	3.2
69.03422	4.3
69.07068	1.3
70.69324	0.8
70.69663	1.9
75.67281	0.8
79.05511	3.9
81.07054	5.7
85.02891	2.6
91.05480	4.1
93.07050	2.7
95.04937	1.0
95.08616	1.3
105.07053	5.0
107.04955	1.2
107.08588	14.0
109.06509	4.1
109.10156	5.5
109.52847	0.8
115.05434	1.8
117.06991	1.7
119.08574	2.4
121.10155	10.4
122.07294	3.7
123.08079	1.4
131.08560	2.2
133.10129	100.0
134.10475	1.5
135.08051	11.7
135.11658	1.4
137.09613	54.2
145.10118	0.8
147.11702	1.2
149.13255	10.1
161.48421	0.8
163.14809	2.5
173.13257	4.8
191.14307	33.5
209.15358	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79914	7.3
55.05502	8.3
62.66342	6.9
67.05512	8.3
69.03420	22.0
69.07054	15.5
71.04999	11.9
71.61533	8.5
75.07602	7.8
79.05505	13.1
81.03413	11.9
81.07039	16.0
83.04974	16.0
83.08629	8.3
85.02900	20.4
91.05450	14.7
93.07050	16.4
95.04972	34.8
95.08589	32.2
98.97610	13.6
99.04414	11.4
102.64809	6.3
105.07010	25.1
107.04934	16.2
107.08588	42.5
109.06496	11.2
109.10126	18.9
119.08578	9.8
121.10175	39.1
122.03613	8.0
125.09628	14.8
129.00859	7.8
131.04857	8.7
131.08582	18.3
133.10193	39.6
135.08083	11.6
135.11697	12.3
137.05995	66.8
137.09601	29.9
147.11728	10.0
149.09612	16.4
149.13213	21.7
151.03938	17.7
151.11168	75.6
153.09087	12.7
156.05708	20.2
159.08040	13.6
161.05942	11.0
163.14767	10.3
165.05530	10.4
165.12715	11.0
167.07054	35.2
173.13277	20.5
177.05527	8.6
187.07507	13.7
191.14316	68.8
192.07770	9.8
209.06154	8.3
209.15376	92.0
217.08673	40.9
218.07278	12.3
235.07373	7.8
237.10414	8.2
241.08760	9.9
247.09721	16.3
249.09015	12.1
261.09058	13.2
263.06894	11.6
264.07874	10.5
277.08365	13.5
285.07523	10.7
289.08472	9.8
293.11765	11.0
300.09961	10.2
309.11267	10.8
321.11212	20.3
326.11472	9.0
339.12131	23.5
353.13919	25.4
371.15030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03950	3.4
57.03450	3.0
57.07073	2.4
61.02929	2.1
62.32333	1.8
67.05501	2.0
69.03442	10.7
69.92010	8.9
71.04958	2.0
79.05499	1.8
81.03416	5.6
81.07057	3.2
83.04958	2.8
84.81853	1.8
85.02907	22.0
91.05489	2.6
95.04978	2.9
95.08598	4.0
97.02891	10.8
105.07038	2.8
107.08596	12.8
109.02870	3.2
109.06522	5.8
109.10147	3.6
119.08579	2.9
121.06483	2.4
121.10142	11.1
122.07281	2.3
123.08081	4.0
123.11716	3.9
123.36243	1.9
127.03915	2.7
131.08528	1.9
133.10133	30.4
135.08075	4.2
137.09624	31.3
145.04970	5.4
147.11682	3.1
149.09616	6.5
149.13249	7.0
151.11188	14.0
163.14839	2.5
165.12752	41.6
173.13254	3.7
191.14339	20.4
192.07549	2.1
209.15364	100.0
210.15596	1.9
220.20107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07058	1.0
61.02925	1.3
67.05506	2.5
69.03416	5.3
69.07059	3.0
69.30386	4.2
69.30813	5.1
71.04984	1.3
74.47366	1.1
79.05492	3.7
81.03414	2.9
81.07056	4.1
83.04980	4.0
85.02898	4.4
86.66118	1.3
91.05446	2.4
93.07026	4.1
95.08591	2.7
97.02917	1.5
97.06528	1.6
98.21496	2.1
98.97591	1.6
99.04469	1.2
99.68993	0.9
104.25598	1.0
105.07034	4.7
107.04945	4.5
107.08614	7.4
109.06519	3.6
109.10165	3.1
111.08071	1.4
119.08611	3.7
121.06514	1.8
121.10168	7.1
122.07317	1.4
123.08092	2.4
129.07047	1.5
131.08556	3.3
133.10127	33.2
135.08038	4.1
135.11700	1.3
137.05980	6.0
137.09616	17.8
145.10097	1.9
147.11682	5.1
149.09642	1.3
149.13283	5.7
151.11183	8.3
153.09097	1.6
156.05717	1.3
159.08110	1.6
161.06064	1.4
163.14789	1.6
165.07031	1.0
167.07060	2.8
173.13292	4.1
175.07605	1.4
176.03427	1.4
176.42447	1.0
177.05493	1.1
185.03714	1.0
187.07568	1.5
191.14320	22.0
203.05281	6.3
209.11513	2.5
209.15396	10.5
217.08575	3.8
235.07425	1.0
237.10422	1.0
247.09663	1.4
249.09169	1.3
261.09000	2.0
265.09567	2.9
278.09607	1.2
293.08646	1.5
297.84637	1.2
311.10092	1.5
325.10757	1.9
326.11685	1.4
341.13879	1.1
353.13937	4.4
353.19711	3.5
357.73315	1.1
371.12753	4.6
371.16763	100.0
372.17017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.73714	0.4
56.84589	0.4
70.85056	1.0
70.85391	0.6
77.74226	0.5
91.05409	0.4
97.30154	0.4
109.06496	0.4
109.79326	0.4
110.85572	0.4
130.34169	0.4
137.05986	1.4
154.42413	0.5
167.07037	1.6
169.71405	0.4
191.10367	0.5
192.07797	0.8
203.05290	2.9
209.11464	2.9
217.08643	1.0
220.17036	0.5
250.10213	0.5
272.06113	0.4
279.10077	0.4
304.77106	0.4
353.13922	0.7
371.16766	100.0
372.17068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
58.14486	0.6
67.05490	1.5
69.03424	2.6
69.46899	0.7
70.06580	0.7
71.61324	0.9
73.04761	0.8
79.05491	2.8
81.03398	1.2
81.07050	2.0
83.04984	1.2
85.02908	2.3
85.06538	0.9
86.09743	0.9
91.05428	1.9
93.07050	1.3
95.04973	1.8
95.08601	1.4
97.02911	0.9
98.45341	0.7
98.97578	2.1
103.05471	1.2
105.07005	1.5
107.04945	1.8
107.08593	1.7
109.02864	0.7
109.10119	1.0
111.04434	1.6
112.95818	0.7
115.05499	0.8
116.23893	0.6
116.98640	0.8
119.08594	1.2
121.06505	1.4
121.10115	1.7
123.08105	0.8
125.06009	0.7
129.05453	1.2
129.07011	1.0
131.04929	1.7
131.08554	1.2
132.05676	0.9
133.06541	1.1
133.07579	0.6
133.10141	1.4
135.08125	1.1
137.05974	5.9
144.05600	0.7
147.06567	0.9
149.06032	0.9
149.09628	2.6
150.05504	1.0
151.11269	0.7
156.05737	1.3
159.08086	1.0
160.05191	0.8
161.06001	1.1
167.07072	3.8
173.13177	0.7
173.43471	0.7
177.05463	1.4
180.10164	0.9
181.08644	0.6
187.07556	1.9
191.05562	0.7
191.07115	1.1
191.08911	1.0
191.10414	3.6
191.14288	3.5
192.07835	1.8
193.08565	1.0
203.05222	5.0
203.08548	1.3
209.11548	1.9
209.15396	3.3
217.08623	3.9
218.07227	0.9
231.04665	0.8
233.09515	1.0
236.08296	1.1
237.03093	0.8
247.09775	0.9
249.09209	0.8
250.06259	0.8
261.09106	1.1
263.07108	1.1
277.08673	1.0
279.10178	1.9
281.08365	1.0
285.01089	1.1
285.07523	1.1
292.07611	0.7
293.08090	1.4
307.09781	1.4
309.07382	0.8
309.11069	1.6
311.12903	0.8
321.11209	1.1
325.10742	1.3
326.11597	0.9
339.12344	2.6
341.13840	1.1
353.13782	3.1
357.54211	0.6
371.16776	100.0
372.16980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05497	0.6
56.96550	0.7
57.03427	0.6
57.07059	0.6
61.02925	0.7
69.03414	1.6
70.06588	0.9
71.60939	0.5
71.61325	0.6
73.02905	0.7
73.04753	1.9
79.05472	1.2
81.03392	0.8
81.07023	1.1
83.04980	1.1
85.02908	2.9
86.09704	1.5
91.05772	2.2
95.04992	0.9
97.02882	1.9
98.97580	1.5
103.05379	0.6
105.07027	1.0
107.04955	1.2
111.04454	1.1
113.17978	0.5
116.11266	0.5
116.98655	0.9
117.03425	0.5
121.06524	0.8
121.10178	0.7
123.04375	0.7
125.00002	1.4
125.05981	0.6
127.03919	1.0
128.98636	0.6
129.05467	1.1
133.06461	0.8
137.05968	2.2
145.02856	0.7
145.04945	0.7
147.06572	0.5
151.03973	0.7
153.05408	0.6
161.06007	0.8
163.03926	1.0
164.78995	0.5
167.07030	2.1
177.05428	1.3
193.08568	0.6
203.05284	0.7
209.07959	0.5
217.08606	1.5
219.01877	0.5
219.08163	0.6
237.02904	1.2
249.09216	0.8
263.06985	0.8
265.08734	0.6
268.97910	0.9
285.01019	1.8
299.10944	0.9
300.09808	0.6
307.09750	0.8
353.13846	0.9
355.07117	1.0
362.21640	0.7
371.16772	100.0
372.17203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54914	1.3
52.10050	1.4
53.03944	2.3
55.01873	2.0
56.96565	20.3
57.03436	4.8
61.02924	4.0
67.05491	1.9
69.03433	15.2
69.46936	11.9
73.02930	7.2
73.04763	7.5
81.03426	3.6
84.08183	3.0
84.96047	7.1
85.02908	32.3
85.81670	1.5
87.04456	2.7
91.03957	2.1
91.05812	14.0
94.06567	4.9
95.40273	1.4
97.02899	15.2
97.83708	1.8
98.20681	2.3
98.97587	59.1
99.04444	2.2
101.00889	1.7
101.05968	2.0
106.06538	2.2
109.02919	2.5
110.97569	22.3
111.04433	1.9
112.99133	2.5
115.03963	3.6
116.98627	26.7
119.01896	4.2
119.04939	1.7
122.06057	4.2
127.03915	10.9
128.98608	26.1
129.05492	2.0
131.00198	3.1
131.01884	2.9
134.99643	5.7
136.06134	1.8
137.06006	6.4
138.62993	1.4
139.02295	1.5
140.98613	1.5
143.00163	5.5
143.01920	2.7
145.04939	8.1
146.99664	11.8
147.04364	3.2
150.05508	100.0
152.98593	7.3
155.01929	1.8
156.97534	2.7
157.03490	1.7
158.99681	6.5
161.01225	5.4
161.03006	3.4
163.03932	3.9
163.06075	3.3
168.06572	2.2
170.99669	11.1
173.02995	3.1
174.98570	1.6
177.00716	5.3
185.02998	1.9
189.00722	4.6
191.02193	2.1
191.03831	3.4
198.98564	5.1
200.04480	2.7
201.00739	5.9
202.23669	1.4
209.00700	2.5
209.09158	24.7
216.99539	1.6
219.01767	45.7
221.05037	2.9
223.04576	2.3
227.01913	4.9
237.02831	81.1
244.04474	1.5
245.05087	3.7
251.04094	1.9
255.03838	4.6
257.03189	1.9
268.97891	3.3
272.08090	4.2
273.08212	2.1
279.06888	1.4
281.02985	1.7
283.00677	2.9
285.00879	7.5
301.01746	2.7
311.04306	2.0
329.05472	17.7
347.06320	8.6
348.07034	2.4
355.06985	5.2
371.06436	35.4
371.16568	2.6
389.07443	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	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
56.94070	0.4
60.65950	0.4
67.05505	0.5
70.81456	0.4
70.82427	1.0
73.93938	0.5
79.05492	0.6
81.07025	0.8
89.35188	0.5
91.05484	1.2
105.07057	0.7
107.04967	1.9
110.39922	0.4
119.04922	1.1
121.06508	0.9
122.88014	0.5
129.06978	0.7
131.04901	1.0
137.05980	1.7
145.06508	1.1
146.07231	0.5
147.04402	0.9
147.08051	0.6
151.07452	0.5
153.06946	0.6
159.08046	1.0
165.07039	1.9
166.07826	0.9
167.07005	1.1
175.07541	0.6
177.07019	0.9
178.07761	2.9
179.08527	1.6
181.06435	2.4
189.07034	1.2
190.07761	1.6
191.08644	0.9
193.06531	1.3
194.07280	4.0
195.08067	1.7
196.08731	0.6
197.05940	0.5
202.07823	1.2
203.08519	1.1
205.06526	2.1
205.10190	0.7
206.07275	3.5
207.08087	2.9
208.08749	1.3
209.05959	2.1
209.07677	0.5
209.09634	1.1
210.06808	0.7
211.07574	0.8
215.08569	1.1
217.08572	1.1
218.07347	1.8
219.08032	2.5
220.08809	0.5
221.05998	3.3
221.09656	1.1
222.06801	3.6
222.10246	1.0
223.07538	3.7
224.08313	3.2
225.09174	0.8
232.08801	2.2
233.09644	1.8
234.06807	4.0
234.10426	1.5
235.07526	6.2
236.08345	4.7
237.05571	3.0
237.09064	2.8
238.06244	0.9
239.07054	0.9
240.07886	0.9
246.06857	0.5
247.07532	1.9
248.08371	1.9
249.05466	1.6
249.09111	13.8
250.06274	3.6
250.09801	3.4
251.07021	5.3
251.09721	0.6
252.07829	10.7
253.08600	2.1
260.08319	1.2
261.09027	2.2
262.06329	0.5
263.07010	3.2
264.07880	5.4
265.05066	1.8
265.08585	17.3
266.09354	10.7
267.06650	0.8
267.10059	1.7
269.08099	0.5
275.10812	0.5
277.08597	4.1
278.06247	0.7
278.09402	2.8
279.06488	1.7
279.09903	0.6
280.07330	12.4
280.10587	1.0
281.08121	6.8
281.11346	0.7
283.12967	0.6
293.08206	2.3
293.11655	12.9
294.08862	1.8
295.09720	5.4
296.10425	10.2
297.10916	0.6
306.08804	1.2
307.09763	0.7
309.11200	1.5
310.12012	1.2
311.09232	0.5
311.12772	10.1
313.10681	1.1
321.11206	6.0
324.10001	1.5
325.10608	0.8
339.12283	100.0
340.12946	5.6
353.13947	1.4
356.12558	0.9
371.14902	35.5
372.15344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
56.96545	2.9
65.03893	3.2
67.05485	7.7
69.03428	3.8
69.07063	5.7
69.56541	13.4
69.56953	4.6
71.04987	3.3
71.61353	2.5
79.05107	2.5
79.05479	16.6
81.07062	19.5
83.51582	2.4
91.05452	14.2
92.47811	2.4
93.07032	9.4
94.04174	3.3
95.08600	11.3
99.96877	2.5
103.05424	2.9
105.07049	13.1
107.04936	19.8
107.08572	6.9
109.06530	6.8
109.10133	4.0
111.04398	3.9
111.29130	2.6
115.05429	5.0
116.06229	3.8
117.07057	2.9
119.08543	6.3
121.06522	2.9
121.10122	8.0
122.03609	5.9
123.04442	4.3
123.11709	6.8
128.06163	4.3
129.06985	13.3
131.08546	11.8
132.05743	3.4
133.10117	6.9
135.11676	3.6
137.05980	100.0
141.06975	7.5
144.05688	9.5
145.06511	6.7
147.11699	5.7
149.05966	4.2
149.13332	2.7
151.11165	5.7
156.05682	27.4
157.06500	3.8
159.08090	21.3
160.05246	4.1
161.06024	5.1
163.03891	3.7
163.07663	3.1
165.05501	3.0
165.06894	4.3
165.12709	3.1
167.07039	46.4
169.06468	5.4
172.05170	5.3
173.05927	6.0
174.06723	5.5
175.07504	12.7
177.05470	7.7
178.07750	5.0
179.07025	4.5
181.04919	3.5
181.06433	4.8
184.05206	4.5
186.06880	3.9
187.07600	18.0
189.07094	4.1
189.09048	6.5
190.06265	3.4
190.07806	6.2
193.08531	4.4
193.12251	3.8
199.07553	3.5
202.06198	6.8
203.08559	6.9
205.06506	3.3
205.08516	4.6
206.07263	8.9
207.08051	5.5
211.07591	7.1
211.13324	2.7
215.06912	5.4
215.08757	5.1
217.06543	4.5
217.08582	84.2
217.10638	5.7
218.07191	14.2
219.08093	6.2
219.10106	6.2
220.08832	2.9
221.09607	10.6
222.06738	3.8
223.07574	4.6
224.04825	3.3
226.06197	3.8
229.08461	3.3
231.08075	12.0
232.08807	5.3
233.09628	14.6
234.06711	15.4
235.07504	11.0
236.08180	3.2
237.05223	3.2
237.09109	3.7
238.09926	6.1
239.07051	20.7
241.08563	15.1
242.05615	7.0
246.06902	6.3
247.07448	5.8
247.09668	28.7
248.08342	6.5
249.09052	27.3
250.09943	4.7
251.07030	9.3
252.07849	12.2
257.08087	5.9
260.08368	5.4
261.09055	29.7
262.06250	5.6
263.07004	12.4
263.10706	4.4
264.07727	6.0
265.08676	3.2
266.09396	7.8
269.08081	8.7
271.05917	6.5
277.08511	20.4
278.09348	14.0
279.06500	5.8
279.10092	4.3
280.07254	8.7
281.08313	2.8
281.11725	11.1
283.09641	6.3
285.07584	52.4
286.08261	3.9
289.08630	13.0
291.10071	3.5
292.10693	4.0
293.08508	5.0
293.11703	22.8
294.08902	3.1
295.09537	5.5
300.09943	57.4
301.10712	12.7
306.08762	8.0
307.09552	8.8
309.11188	21.6
311.09082	3.4
313.10605	12.2
317.24615	3.1
321.11151	35.1
322.11905	3.7
323.09186	8.0
326.11502	19.9
327.12201	5.0
335.25662	4.1
338.11438	6.1
339.12338	13.2
341.13806	12.6
353.13742	54.6
371.14886	28.8
371.24149	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	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01861	1.1
55.05487	1.3
67.05499	2.8
69.03420	0.6
69.07075	1.5
69.43993	1.6
69.44400	4.7
69.82290	0.7
79.05492	1.8
81.07058	4.6
85.02879	0.9
85.06534	1.0
88.42130	0.7
91.05492	2.6
93.06532	0.7
93.07007	3.3
95.08591	2.9
97.06515	0.8
98.97585	1.1
99.04449	1.3
103.05493	1.5
105.07028	3.7
107.04982	3.5
107.08602	3.7
109.06499	1.3
109.10168	6.8
109.70168	0.7
111.04465	0.8
115.05484	1.3
119.04959	1.0
119.08571	1.7
121.06519	1.3
121.10128	2.1
122.03654	0.8
123.11671	1.6
128.06252	0.7
131.04936	2.3
131.08551	1.1
133.06499	0.9
133.10153	1.4
135.11714	4.4
137.05998	6.4
138.44623	0.6
145.06496	1.5
145.10123	1.0
147.04372	0.8
147.11720	1.0
149.06033	1.0
149.09619	0.8
149.13145	0.8
151.03877	1.0
151.11166	0.7
156.05650	1.0
157.06531	0.9
159.08041	1.4
161.06010	1.4
165.07019	2.3
165.12785	1.1
167.07043	3.9
167.08440	1.2
175.07558	1.5
177.05504	1.2
177.06992	1.3
178.07794	2.5
179.08600	1.6
181.06493	2.5
181.08531	0.8
183.08104	0.7
187.07623	1.5
189.06984	1.1
189.08995	0.8
190.07733	1.9
191.08539	1.2
191.14302	1.2
192.07692	0.8
193.06555	0.9
193.08656	1.0
193.12166	0.7
194.07205	3.3
195.08040	2.4
203.08636	1.9
205.06508	1.9
206.07220	3.3
207.08095	3.8
208.08730	1.5
209.06033	1.2
209.09639	1.1
209.15295	0.9
211.07547	1.5
215.08600	1.9
217.08592	3.8
218.07285	2.1
219.08046	2.8
219.10089	1.0
220.05379	0.9
220.09013	1.0
221.05881	3.5
221.09521	1.6
222.06721	4.9
222.10336	1.0
223.07515	3.6
224.08295	3.5
225.09161	0.8
231.08171	0.8
232.08878	1.9
233.09686	2.6
234.06747	4.8
234.10344	1.2
235.07545	5.4
236.08351	4.5
237.05455	2.9
237.09154	2.8
238.09769	1.1
239.07028	1.8
239.10703	1.0
240.07907	1.2
241.08446	1.2
246.06778	1.1
247.07492	2.1
247.09689	1.3
249.05429	1.7
249.09084	14.4
250.06252	3.3
250.10010	3.1
251.07011	4.9
252.07802	11.3
253.08540	2.9
261.09146	2.9
263.07050	3.2
264.07770	5.6
265.04950	2.4
265.08591	17.9
265.11615	1.2
266.05685	0.9
266.06171	1.1
266.09360	11.4
267.10074	3.0
269.08087	1.2
275.10596	0.9
277.08612	4.6
278.09433	3.8
279.06464	1.7
279.09775	1.1
280.07318	12.2
280.10593	1.6
281.08142	7.3
281.11438	1.3
283.13437	0.9
285.07596	1.1
288.07544	0.9
292.10880	0.8
293.08118	3.8
293.11707	13.3
294.08887	1.1
295.09573	5.7
296.10455	9.9
300.10034	0.8
306.08545	1.1
307.09500	1.6
309.11209	3.3
310.11929	1.3
311.09378	1.3
311.12720	9.7
312.10019	0.8
313.10712	1.0
321.11221	8.5
324.09930	2.5
325.10678	1.8
327.12335	1.0
339.12268	100.0
340.12967	5.6
353.13821	2.8
368.45148	0.8
371.14789	33.9
372.15634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
56.96567	3.2
67.05511	1.8
69.03439	3.0
71.61723	2.4
73.04778	1.3
74.52325	1.3
79.05505	2.5
81.03434	1.7
81.07076	2.0
83.04997	1.7
84.78605	1.3
85.02913	3.2
91.05534	4.2
93.07052	2.7
95.04983	2.9
95.08587	2.4
98.97591	20.3
103.05517	3.7
105.07063	4.7
107.04977	4.8
107.08629	2.2
107.87164	1.3
109.10162	1.6
110.97646	2.4
111.04485	2.3
115.05486	1.5
116.98611	10.7
119.04999	2.0
121.06544	2.8
122.03704	1.7
128.06352	1.5
129.05576	1.9
131.04951	7.2
131.08603	1.8
132.05746	5.0
133.06543	2.2
135.08086	1.8
137.06000	14.0
140.65031	1.2
145.06514	2.0
147.04451	5.0
147.11745	2.1
148.05157	1.5
149.06017	2.8
149.09595	9.5
151.07622	2.0
156.05846	2.0
158.99759	3.2
159.08177	2.0
160.32530	1.4
161.06024	3.4
163.07564	2.6
165.05664	1.3
165.09222	1.8
167.07025	7.0
175.07610	1.8
177.00725	3.3
177.05524	4.6
179.07124	3.5
180.07837	1.5
181.08511	1.8
186.02612	1.3
187.07610	2.2
191.07108	6.3
191.14386	4.7
192.07838	10.3
193.08638	4.0
202.06303	1.5
209.08127	2.9
209.15500	6.0
217.08672	8.0
218.07303	1.7
237.02985	3.0
237.10376	4.1
249.09256	1.5
251.09912	4.1
261.09320	3.7
263.07156	1.6
265.09708	4.2
269.10757	4.0
277.08603	1.5
278.09668	1.6
285.01096	2.1
293.09091	3.1
294.70987	1.4
308.54578	1.3
309.11359	3.6
311.10251	4.2
321.11392	2.5
323.09271	2.1
326.11835	2.7
339.12204	8.1
353.14117	5.5
366.53619	1.5
371.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.05497	2.0
57.03420	1.1
65.03965	1.2
67.05500	2.6
68.69098	1.0
69.03425	4.6
69.41315	1.4
69.63081	7.1
70.28912	0.9
71.05001	1.3
79.05494	3.3
81.03410	2.3
81.07054	4.4
83.04977	8.9
85.02905	3.2
85.06511	1.2
85.21609	0.9
88.28727	1.0
91.05477	3.8
93.07051	2.4
95.04977	2.0
95.08607	3.8
97.02895	3.3
97.06525	2.8
101.06006	1.2
103.05460	1.0
105.07027	2.4
105.75879	1.3
107.04953	2.9
107.08549	2.8
109.02905	1.3
109.10126	1.8
111.04439	6.8
111.05081	1.1
119.08554	4.7
121.06553	1.2
121.10144	2.0
123.04385	1.0
127.03957	1.2
129.05475	1.4
129.06978	1.5
129.86559	0.9
131.04926	2.3
131.08607	1.5
133.10118	1.6
137.05975	4.8
137.09583	1.1
139.03926	1.2
145.06517	1.6
147.04417	1.3
147.11655	1.6
157.05003	1.5
163.03920	1.4
167.07083	5.0
177.05533	1.1
178.07788	2.8
179.08578	1.7
181.06560	2.7
187.07611	1.4
189.06969	1.4
190.07777	1.4
193.06537	1.5
194.07373	3.2
195.08061	2.3
195.94524	1.1
203.08664	1.6
205.06517	2.1
205.10173	1.3
205.19199	1.0
206.07253	3.9
207.08064	4.5
210.06662	1.2
217.08679	2.6
218.07286	2.9
219.08029	2.7
221.06020	3.5
221.09641	2.1
222.06790	4.8
223.07631	2.7
224.08339	3.3
225.09320	1.2
232.08676	1.2
233.09630	2.0
234.06824	4.2
235.07573	5.9
236.08316	4.5
237.05466	2.2
237.09196	3.3
239.07094	1.6
247.07504	2.1
248.08354	1.7
249.09128	12.7
250.06264	3.3
250.09830	3.7
251.07104	3.4
252.07832	11.1
253.08510	2.2
261.09155	2.4
263.07092	3.2
264.07852	4.2
265.05634	1.8
265.08594	14.3
266.09387	10.1
267.10052	1.4
277.08685	4.7
278.09344	3.1
279.06775	1.8
279.10144	1.8
280.07294	8.9
281.08069	4.0
285.07492	1.1
293.08182	3.4
293.11765	10.9
295.09592	3.2
296.10364	9.2
300.10187	1.4
306.08774	1.1
309.11349	2.1
310.12079	1.5
311.12683	8.7
313.10529	1.3
321.11148	7.6
324.10016	1.4
325.10690	2.2
339.12265	100.0
340.12811	6.5
341.10364	1.1
353.13828	2.6
371.10361	1.9
371.14911	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	371.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
53.52095	3.5
55.01868	7.9
55.05519	8.5
56.96566	9.0
57.03423	9.9
65.03947	4.3
65.54053	3.5
67.05503	8.3
69.03428	34.8
69.07082	6.4
71.04991	16.9
71.60561	4.4
73.02920	9.7
73.04755	7.4
79.05501	9.5
81.03416	12.2
83.04979	11.6
85.02903	41.9
89.03913	8.9
89.06041	36.6
91.05858	23.7
93.07075	3.8
95.04970	54.5
97.02905	16.8
98.97588	14.7
99.04453	19.2
101.06006	5.2
103.03947	13.4
103.05457	8.7
105.03369	3.8
105.07050	9.3
107.04955	20.4
109.02895	6.8
111.04439	15.3
115.05467	5.3
116.98613	5.9
117.03415	6.0
117.06994	8.9
119.04935	6.9
119.08630	3.8
121.06525	9.4
122.06033	12.4
123.04439	30.5
126.05515	7.0
127.03950	17.4
129.05475	9.6
131.04933	11.2
133.06497	9.6
135.04448	30.4
137.05977	10.0
143.00185	4.6
145.02847	12.4
145.04961	8.0
145.06465	8.4
147.04410	100.0
149.05937	16.4
150.05513	13.1
151.03908	7.8
153.09134	14.6
156.05655	5.3
159.04420	9.9
161.01265	4.5
161.05981	16.1
163.03920	58.6
163.07510	5.6
164.04314	6.6
167.07060	16.7
173.06017	20.8
173.13408	3.4
175.03917	34.2
175.06078	8.7
177.05484	36.2
189.05540	4.7
193.08609	5.5
200.24361	4.0
200.26114	3.8
201.05438	34.3
203.07132	6.0
207.06496	6.8
209.08070	5.0
209.15381	11.8
217.04962	5.3
217.08606	4.2
219.01772	4.8
219.06474	27.5
219.08174	3.2
237.00653	6.2
237.02824	7.3
237.07475	19.8
259.08725	4.1
261.05215	3.9
268.97879	5.3
278.31207	4.1
279.10144	5.5
281.97910	4.2
285.00958	14.1
321.11267	4.8
353.13651	6.7
355.07062	7.3
371.13095	20.9
371.17175	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	371.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
56.96289	1.7
56.96566	26.0
57.03419	3.4
61.02911	3.9
61.88597	0.9
64.57730	0.9
67.05500	2.2
68.99845	0.9
69.03137	0.9
69.03435	10.7
70.06590	1.2
70.33392	1.4
70.33755	2.9
71.04962	1.4
71.95261	1.5
73.02922	4.7
73.04760	5.1
76.56512	0.9
81.03412	2.7
81.76131	0.9
82.23949	0.9
83.04964	1.8
84.96032	8.5
85.02431	1.1
85.02915	20.7
86.09695	1.6
87.04462	2.1
87.10059	1.0
91.05807	12.9
94.06568	2.4
95.04961	1.4
97.02885	10.2
98.97588	68.9
99.04417	2.5
101.00874	1.3
102.97054	0.9
106.40088	1.0
109.02879	1.7
110.96812	1.6
110.97572	29.0
111.04427	1.4
112.99125	3.5
116.98624	33.4
119.01920	2.2
122.02735	2.2
122.06002	1.6
124.99126	1.9
127.03912	5.0
128.98604	26.7
129.05408	1.0
131.00165	3.0
131.01894	1.2
134.99655	8.9
135.04410	1.3
136.06160	3.6
137.05983	3.3
140.98596	2.3
143.00182	8.8
143.01888	2.1
144.98077	2.0
145.03468	2.0
145.04958	4.6
146.99649	14.0
147.04395	1.8
147.06581	1.5
149.01222	2.7
150.05507	40.3
152.98610	9.5
155.01926	1.4
157.01608	1.2
158.99670	7.3
161.01250	6.8
161.02950	3.1
162.99211	1.1
163.03909	4.3
163.06004	1.3
170.02924	0.9
170.99635	13.8
173.02936	2.1
176.03290	1.2
177.00716	6.4
179.02196	1.2
183.05038	1.5
185.02936	1.5
189.00728	7.1
191.02333	1.3
191.03967	3.6
194.99611	2.1
197.01126	1.0
198.98473	7.8
200.04448	2.3
201.00650	5.8
209.01155	1.0
209.09137	10.5
213.00566	2.2
216.99593	2.3
219.01773	52.4
219.05066	2.3
221.05020	1.7
227.02122	4.2
237.02823	100.0
238.03284	1.1
239.02205	1.9
240.99623	2.9
248.12169	1.0
255.03850	5.1
260.04428	2.9
261.02881	1.8
263.02289	4.1
268.97809	3.0
279.03839	1.9
281.03268	2.6
281.07141	1.6
285.00909	6.9
301.01797	2.4
311.04440	3.4
329.05392	28.0
330.05768	1.2
347.06509	9.0
355.06842	4.8
371.06458	37.0
371.13422	2.0
389.07510	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58792	2.7
55.05505	10.4
55.71214	2.5
57.07073	5.4
57.83331	2.8
67.05491	25.4
69.07063	13.0
71.08645	3.0
71.62348	3.5
79.05492	21.9
81.07059	47.7
83.08616	7.9
84.63365	2.6
91.05476	27.1
93.07047	40.7
95.04975	3.7
95.08610	50.7
97.06553	4.1
97.10155	3.6
105.07033	40.2
107.08609	45.4
109.10159	26.6
117.07086	4.8
119.08576	35.6
121.10123	34.8
123.11710	13.2
131.08578	12.2
133.10136	25.0
135.08080	3.5
135.11693	32.6
137.13223	3.5
143.08551	4.3
145.10165	17.1
147.11705	42.7
149.13266	17.4
157.10205	2.9
159.11694	16.1
161.09546	3.2
161.13287	29.0
163.14801	16.1
165.09190	4.3
171.11722	5.6
173.13290	14.8
173.67917	3.1
175.14809	9.8
177.16443	5.7
185.13252	4.9
187.14844	10.1
189.16403	12.8
191.17955	7.2
199.14876	5.8
201.16364	7.7
203.17990	4.5
205.15845	3.1
207.17395	3.3
209.57622	3.1
213.16382	4.5
215.18004	15.1
217.19461	5.2
227.17993	4.8
229.19562	12.0
232.96465	4.9
243.21005	3.7
351.30569	20.0
369.23914	6.1
369.27908	9.0
369.31595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
65.27822	0.5
67.05499	1.8
69.03421	1.3
69.07061	0.7
73.67838	0.7
74.60568	0.6
79.05481	2.1
81.03413	0.6
81.07059	3.0
83.04953	1.2
85.06573	0.6
91.05475	1.4
93.07029	3.0
95.04956	0.7
95.08607	3.3
96.35349	0.6
97.06521	0.6
105.07028	2.2
107.08591	2.2
109.10170	1.8
119.08588	2.1
121.06521	0.6
121.10139	2.0
123.11679	0.7
133.10162	1.1
135.11739	1.2
139.57486	0.6
145.10098	1.1
147.11705	1.1
149.13257	0.8
159.11662	0.9
159.30528	0.7
161.13225	0.6
171.11699	0.6
197.13434	0.6
201.16441	0.6
229.05814	0.6
337.10565	0.9
369.29776	100.0
370.29993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.05509	8.9
57.07076	2.4
63.34182	1.1
67.05505	18.7
69.07066	9.8
69.61814	8.3
71.08610	1.7
79.05494	16.1
81.07061	37.2
82.60666	1.3
83.05006	1.5
83.08611	4.9
84.01685	1.1
85.06546	2.3
86.09670	1.6
91.05478	25.8
93.07043	32.0
95.04954	2.5
95.08611	35.5
95.24397	1.0
97.06532	2.2
97.10171	2.2
103.05476	1.3
105.07034	40.1
107.08600	39.3
109.06435	2.3
109.10155	17.4
111.08097	2.1
117.07009	5.2
119.08582	34.8
121.10145	28.7
123.08060	1.9
123.11732	10.0
130.93195	1.2
131.08556	7.3
133.10136	23.7
135.11688	28.7
137.09579	1.3
137.13249	3.0
143.08572	3.2
144.09343	1.5
145.10114	17.5
147.11685	47.3
149.13263	13.0
153.12740	2.1
157.10112	2.7
159.11722	13.1
161.13263	25.5
162.13617	1.2
163.14816	13.0
165.12807	2.7
171.11711	3.7
173.13248	9.7
175.14822	11.0
177.16405	4.7
179.14342	4.1
185.13272	4.4
187.14781	6.2
189.16388	12.5
191.14392	1.6
191.17967	10.6
199.14845	2.1
201.16371	7.5
203.17958	5.8
207.17505	4.1
213.16432	4.4
213.42578	1.2
215.18001	10.7
217.19472	4.2
227.17986	2.7
229.19521	11.3
232.96497	1.9
240.09853	1.3
241.19542	4.6
243.21046	3.7
255.21037	5.8
257.22668	2.2
273.22113	2.6
279.64862	1.2
281.22592	1.6
325.29156	1.4
337.20700	1.2
351.30438	16.9
369.31546	100.0
370.31952	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	369.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24595	2.2
71.04993	2.8
71.60941	2.5
71.61340	2.0
85.02910	5.2
86.88432	2.1
89.52753	2.0
97.02879	3.1
98.97573	3.0
104.99309	2.1
107.04955	3.0
117.03374	3.9
117.54089	2.1
121.02820	2.1
121.05630	2.0
132.95853	2.5
135.04442	3.0
144.95926	1.8
145.02863	2.7
145.04883	2.0
146.54904	2.0
147.04364	2.3
147.34132	1.8
163.03893	13.8
164.04187	2.8
168.47572	2.2
177.05515	5.4
185.04237	3.7
206.05637	5.0
207.06313	11.1
234.98991	4.6
237.02904	3.0
246.05020	2.4
302.17447	2.3
333.08719	2.2
351.09357	3.0
369.11554	100.0
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	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.33073	2.1
56.96555	2.5
69.03413	6.5
71.04944	3.0
71.05288	4.1
79.05503	2.3
81.03416	2.5
85.02893	6.0
89.03899	11.4
91.05459	3.1
92.51336	1.8
97.02897	5.5
98.97580	4.1
117.03378	27.1
134.03662	2.7
135.04428	2.2
136.16081	1.9
145.01730	3.8
145.02841	55.2
149.05939	11.0
161.05962	2.3
163.03940	4.4
177.05470	100.0
183.05376	2.3
189.12766	2.4
207.06616	3.4
207.13725	2.7
225.04254	2.2
282.45090	1.9
354.13766	2.4
369.09720	2.2
369.14966	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	41.6
57.03418	7.3
68.17323	7.0
69.03412	29.6
69.58402	40.0
69.58814	11.3
73.02912	20.2
81.03413	11.5
84.96024	8.1
85.02904	56.2
89.03918	23.7
97.02892	35.3
98.97581	70.8
101.00822	8.1
107.04932	14.1
110.97592	14.9
113.32098	8.9
116.98638	33.1
117.03361	18.2
119.01955	16.1
127.03894	19.7
128.98692	13.4
132.95845	7.2
134.99669	12.3
135.04414	23.9
136.04733	12.3
143.00133	16.9
145.02808	11.5
145.04958	11.5
146.99597	17.1
147.04428	10.0
158.99641	14.4
161.01265	16.3
161.02835	9.2
162.01862	6.5
163.03909	100.0
164.04231	31.0
170.99606	10.7
177.00673	16.2
177.05324	8.0
201.00735	17.1
207.01808	8.6
207.06860	30.3
219.01787	27.2
225.00682	7.9
237.02747	45.7
249.04678	16.9
261.02655	13.0
267.01642	7.6
272.06448	7.1
279.03906	12.9
307.03308	8.5
309.04996	11.9
321.04816	9.0
356.21280	6.9
358.59818	9.2
369.05533	62.8
387.05832	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	367.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05499	0.7
57.27410	0.6
57.35323	0.4
61.32066	0.5
67.05491	2.0
67.73658	0.4
69.07069	1.1
69.14713	0.4
70.22157	1.8
79.05485	1.2
81.07050	1.3
83.04975	0.7
91.05478	1.2
93.07035	1.9
95.08610	1.9
97.06503	0.6
105.07041	1.6
107.08587	2.1
119.08580	1.3
121.10145	1.1
131.08563	1.1
133.10135	1.4
135.11713	0.5
145.10031	1.0
147.11676	1.2
153.07658	0.5
159.11714	1.2
161.09547	0.6
173.13281	0.8
185.13150	0.6
275.63089	0.5
367.28204	100.0
368.28506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31391	19.8
56.58684	19.3
68.79186	21.6
69.61001	100.0
69.61410	36.4
72.54844	17.8
85.02913	27.1
101.00845	24.2
108.00901	18.7
114.51127	18.1
149.32008	18.8
161.02953	34.2
189.02359	20.0
249.04639	33.2
369.05670	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01851	5.0
55.05512	27.4
57.07074	10.7
59.05001	6.4
65.03957	4.6
67.05505	52.1
69.03416	9.2
69.07071	27.3
71.04996	13.0
71.08631	5.0
79.05495	45.7
80.36406	3.6
81.07056	68.0
82.44368	3.6
83.04986	8.7
83.08617	11.2
85.06535	4.5
91.05476	54.5
93.07052	78.9
95.04971	40.3
95.08607	67.0
97.06548	12.4
98.21532	5.4
99.43364	3.7
103.05419	4.5
105.04507	3.7
105.07027	93.0
107.04958	4.8
107.08593	58.2
109.06532	16.8
109.10150	47.3
115.05478	10.7
117.07047	21.9
119.08584	100.0
121.06485	7.0
121.10146	46.2
123.08126	5.2
123.11734	19.0
128.06255	12.2
129.07014	17.8
130.07770	5.6
131.08574	55.9
132.54295	4.8
133.10129	62.9
135.08067	20.0
135.11745	19.9
137.09613	6.2
141.06992	9.6
142.07794	28.1
143.08568	40.5
144.09334	10.3
145.10127	73.3
147.08061	12.9
147.11708	24.2
149.09612	21.1
149.13321	4.5
155.08553	10.2
156.09332	13.0
157.10132	48.6
158.10966	5.9
159.11707	39.2
161.09644	41.6
161.13248	13.3
163.14798	5.8
165.07164	4.7
167.08545	8.3
169.10136	17.0
170.10899	11.5
171.11740	32.4
173.09631	8.1
173.13269	28.7
175.11290	7.4
175.14767	19.2
179.08551	8.1
180.09357	5.0
181.10170	11.6
182.10898	8.6
183.11713	21.3
185.09674	4.1
185.13300	10.9
187.11160	4.9
187.14815	17.0
189.12801	5.6
189.16405	5.7
194.10992	5.7
195.11702	12.5
197.13225	18.8
198.14082	4.0
199.11226	4.6
199.14824	17.9
201.16359	9.9
207.11688	6.1
209.13286	21.0
211.14848	9.7
213.12830	7.5
213.16475	5.2
223.14893	6.3
225.16391	7.3
227.14331	19.1
239.18034	6.6
241.19576	5.0
267.17432	5.9
293.18948	4.7
349.25171	10.9
367.26068	14.2
376.88342	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2459
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
50.35154	1.0
55.05513	5.1
59.97779	1.0
67.05507	8.7
69.07067	3.0
69.44254	8.1
74.51912	1.0
79.05485	4.2
81.07067	8.1
83.04975	3.1
83.08630	2.6
85.02900	1.2
91.05475	3.7
93.07040	6.7
95.04972	1.7
95.08600	7.1
97.06532	1.7
97.10152	1.1
101.21050	1.1
105.07059	5.1
107.08582	6.9
109.06526	1.6
109.10155	3.5
111.04453	1.5
117.07054	1.7
119.08593	6.2
121.10124	3.0
123.08060	1.2
123.11710	1.7
125.09612	2.3
131.08565	2.6
133.10164	4.5
135.11690	1.7
137.09598	1.3
143.08606	1.5
145.10114	3.1
147.11668	2.4
149.09615	2.3
149.13275	1.2
151.14854	0.9
157.10118	1.9
159.11687	1.7
161.09639	1.6
161.13235	1.9
171.11726	1.3
173.13148	1.7
175.14819	1.9
177.49841	1.0
183.11772	1.1
187.14848	2.2
189.16357	2.4
222.79762	1.0
234.98947	1.1
240.20145	1.0
256.30746	1.0
275.20123	2.0
276.99985	1.1
321.25455	1.0
329.40604	1.0
349.24124	2.1
367.24500	100.0
367.28326	34.0
368.24576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	8.1
56.96568	14.4
57.94857	8.3
69.03421	15.6
70.09679	8.3
70.85918	20.1
70.86282	10.6
71.04986	28.7
79.05495	16.9
81.07059	79.5
81.90175	7.3
85.02893	25.9
98.97585	19.4
107.08587	25.5
109.10094	18.4
111.11662	11.8
114.62060	8.1
119.08594	11.8
123.11726	20.3
130.02008	7.9
143.08389	7.7
151.11171	34.2
157.12253	19.9
169.12244	29.3
187.13275	100.0
198.13065	8.1
225.07640	8.7
367.14063	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53667	0.2
65.18797	0.3
70.06351	1.1
82.99807	0.3
83.62817	0.2
86.16413	0.2
101.00881	2.1
119.01923	6.5
120.46457	0.2
134.99886	0.5
137.02950	1.7
140.98831	0.4
153.00880	0.2
158.99884	1.6
177.00954	18.6
178.01094	0.5
182.99982	0.5
193.04005	0.3
198.10785	0.3
201.00909	1.9
216.98840	0.4
217.04057	3.1
217.99043	0.4
219.02011	22.7
220.02129	1.0
225.00797	1.6
234.99940	0.4
236.00081	0.9
240.99081	0.3
241.99049	0.5
243.02002	8.8
258.99966	1.6
260.00067	2.4
261.03067	100.0
262.03235	2.4
263.03162	0.9
277.00949	0.8
278.01227	1.8
283.00015	2.1
284.00113	7.0
284.04648	2.7
284.99854	0.7
301.01053	3.4
302.01175	9.2
303.00998	1.7
304.01239	0.3
320.02383	0.5
326.00900	1.2
343.02100	0.5
343.98425	0.5
344.02261	5.4
362.03351	1.4
364.01300	0.4
364.50977	0.3
367.02423	0.7
369.54657	0.3
373.01770	0.4
385.03174	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.0
56.63237	1.4
57.03429	2.8
69.03417	3.4
70.77317	3.9
70.77693	3.1
71.05013	2.3
81.03403	2.6
81.07043	3.4
84.28262	1.5
85.02902	4.1
91.05466	2.7
95.01333	32.1
95.04977	2.4
98.97550	2.4
103.05442	5.4
105.07044	8.9
107.04986	3.7
113.02359	15.6
114.93919	1.7
115.05457	8.8
117.07019	4.0
123.04386	3.0
128.06209	6.0
129.06982	3.6
131.04936	10.0
131.08601	2.0
133.06499	8.9
134.03583	1.7
138.33807	1.6
141.06952	4.3
143.08524	2.6
144.05705	3.5
145.06488	8.2
147.04396	4.0
148.05154	2.9
152.06154	2.9
153.06987	5.0
156.05606	2.3
157.06477	4.8
159.04399	1.9
159.07970	1.7
160.05177	1.8
161.05997	10.2
161.20825	1.6
162.03160	1.9
163.03969	2.6
167.07062	25.4
169.06514	3.4
171.08025	7.8
172.05089	1.8
173.05957	5.8
175.07556	2.7
176.04585	3.8
177.05473	4.9
179.07002	2.1
181.06520	4.0
182.53879	2.1
183.06499	3.1
184.05194	3.8
185.06029	4.3
187.03871	3.1
187.07562	2.4
187.13278	3.4
189.05495	2.2
190.06245	3.8
191.07068	11.1
193.08632	18.9
194.05731	4.7
198.06764	3.6
199.07614	8.5
200.04745	2.1
201.05481	4.3
203.07101	2.1
205.04999	1.8
205.08646	3.8
207.06396	3.6
209.06183	1.5
209.08080	9.5
211.90518	2.0
212.04726	1.8
213.05547	3.2
217.04970	2.7
217.08629	2.3
219.06531	4.0
219.10033	1.9
221.08093	2.0
223.04396	2.4
227.07045	13.9
229.04909	3.3
231.10152	4.3
233.08102	9.4
244.07408	2.7
245.04628	2.4
245.08037	3.0
251.09143	3.0
259.09677	9.0
261.07568	7.2
277.10690	2.0
279.08722	2.4
287.09088	3.1
305.10315	12.5
323.11237	100.0
339.10791	2.6
367.09949	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.2
57.03434	3.9
57.07050	2.6
60.04530	33.6
67.05515	18.9
69.03431	6.0
69.07076	6.9
71.04971	3.9
71.12415	5.5
71.54793	2.8
74.14410	2.7
77.26449	3.1
79.05492	9.2
81.07064	24.4
83.08609	2.7
85.02909	8.8
85.06561	3.2
86.09699	11.8
91.05484	23.9
93.07047	9.0
93.64164	3.1
95.04959	3.3
95.08640	7.2
97.06546	3.3
98.97578	7.1
105.07037	22.6
107.08588	26.4
109.06608	3.3
109.10153	46.1
109.49516	2.6
120.08124	4.2
121.10126	4.7
123.11694	6.9
124.07572	12.4
131.08519	2.9
133.10139	100.0
141.51321	2.9
151.11189	98.7
163.03922	3.8
167.05307	3.2
169.12257	46.9
173.71773	3.2
187.13307	32.2
206.19846	3.2
246.09660	6.6
260.11108	3.2
264.10608	3.5
288.10690	7.0
292.13608	3.0
306.11450	15.9
348.27335	10.5
366.13882	15.3
366.28516	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59344	2.7
55.05497	5.3
60.04253	4.0
60.04527	32.6
67.05487	17.9
68.05830	2.6
69.07061	5.9
69.85306	2.3
71.04989	6.3
71.60880	5.1
72.08163	3.9
79.05491	8.2
81.03394	3.8
81.07069	21.6
81.17713	2.5
83.04956	3.9
85.02922	5.6
85.06553	4.2
86.09698	9.8
91.05481	16.5
93.07043	12.5
95.08614	8.0
97.06535	4.1
98.97560	4.5
105.07002	17.8
107.08586	29.2
109.10158	37.3
119.08596	4.4
120.08121	4.9
121.10119	3.5
123.11736	6.5
124.07594	6.8
127.25188	3.0
133.10133	90.3
151.11182	100.0
162.45216	2.5
169.12241	46.6
173.12961	2.7
187.13309	25.2
204.08582	4.0
243.37411	2.6
246.09612	4.9
264.10651	6.6
306.11725	11.5
318.04541	2.8
334.11444	3.6
348.27319	7.6
366.13992	16.2
366.28500	22.9
370.58777	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05523	1.1
60.04526	13.1
64.92420	1.0
67.05500	3.0
69.03423	2.9
69.07076	1.8
70.98261	1.4
71.04995	10.4
79.05490	14.4
81.03442	0.9
81.07058	100.0
83.04978	6.0
85.02909	3.8
85.06577	1.0
88.02607	0.9
89.06043	1.3
90.34803	1.0
91.05466	1.2
93.07049	2.2
95.04989	1.2
95.08593	1.8
105.07039	1.7
107.08580	2.9
109.06493	1.0
109.10154	4.1
120.08105	1.3
121.10153	1.7
123.11703	4.8
124.07553	1.0
133.10146	1.4
139.11176	3.2
151.11179	4.2
169.12242	76.8
187.13293	2.0
288.51169	0.9
348.27380	4.3
366.28528	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47157	2.1
53.03934	3.5
55.05501	6.1
55.16106	2.3
56.05005	3.0
56.96570	3.5
57.03428	5.5
57.07067	3.6
59.04992	2.2
60.04530	100.0
67.05504	18.2
69.03400	7.6
69.07055	6.9
70.73679	4.7
71.04998	16.8
72.02976	2.4
73.17775	2.1
74.06068	5.6
79.05492	26.2
80.04967	2.8
81.03411	3.8
81.07060	94.2
83.04993	6.9
85.02911	12.8
85.06550	3.5
91.05481	26.2
93.07030	17.6
95.04961	4.9
95.08604	16.6
97.02900	6.0
97.06562	4.9
98.97603	4.6
99.08077	2.8
104.00671	2.5
105.07008	10.7
107.08589	28.2
108.04425	2.9
109.10175	16.8
119.08590	5.2
120.08102	4.5
121.10158	5.5
123.11724	17.6
124.07607	3.1
125.09618	2.9
127.03889	2.5
131.04970	2.3
131.08569	3.2
133.10135	15.0
135.07996	3.0
143.00133	2.2
147.11732	4.6
150.07732	7.5
151.11200	34.5
156.95854	2.6
166.09392	2.6
169.12250	98.3
177.05394	3.0
187.13368	6.0
203.05325	3.1
234.76155	2.8
294.24231	7.2
312.25232	12.3
323.11115	3.7
325.03568	6.6
330.26419	18.5
334.13171	2.4
339.10669	3.2
348.18521	4.5
348.27502	31.1
366.11166	2.8
366.24576	2.5
366.28528	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
56.96568	19.5
60.40613	0.5
67.05489	1.1
69.24143	3.8
69.24565	1.8
71.95248	2.3
72.96031	1.6
81.07027	1.0
88.00091	0.5
93.07020	0.7
95.08602	0.6
96.08852	0.5
98.21486	1.3
104.31599	0.6
105.07042	0.5
107.08597	0.8
108.29382	0.5
109.10159	0.7
110.97591	1.3
111.70326	0.6
115.00608	0.6
119.08516	0.6
121.10171	0.9
123.01174	0.9
128.98598	0.9
129.02197	0.5
137.02713	0.6
141.02193	0.7
147.11671	0.6
153.02251	1.1
155.03827	1.2
159.03314	0.9
169.05342	0.5
171.03302	1.6
173.04915	1.1
177.04268	0.7
187.06339	0.7
193.09009	0.8
201.08023	0.6
227.09433	0.9
229.12799	1.1
241.11105	1.5
243.12457	0.7
247.13716	1.6
251.13106	4.1
255.12679	1.1
263.13232	1.6
269.14255	26.9
275.13242	1.0
277.14645	4.9
279.16248	3.1
281.14313	3.8
287.15295	18.9
289.14691	1.6
292.15863	1.6
293.14209	1.1
295.15805	25.0
297.17316	1.7
299.15167	1.3
307.15771	19.2
313.16885	8.6
318.17429	1.9
325.16858	53.9
326.16885	0.7
343.17914	100.0
344.18616	1.0
348.18573	3.6
361.18967	65.1
362.19278	1.1
366.19470	10.7
366.23468	1.2
366.27856	1.0
379.20078	1.0
384.20636	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
58.92944	0.8
67.05494	1.5
69.07055	1.4
69.81071	2.8
69.81486	2.6
79.05470	2.3
81.07058	2.4
83.04981	1.8
91.05463	1.4
93.07069	1.6
95.08614	2.5
97.06535	1.5
105.07031	2.2
107.08598	2.0
109.06482	0.9
109.10144	1.4
121.10103	1.0
133.10178	1.6
145.10146	1.0
192.13768	1.0
294.77866	0.8
337.80414	1.0
347.22253	1.0
365.23010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.2
55.01862	11.2
55.05515	36.7
56.96549	30.8
57.03423	20.8
57.07076	8.2
67.05506	51.4
69.03407	18.1
69.07066	50.1
69.69808	36.5
73.02877	8.4
79.05503	46.7
81.03407	18.4
81.07056	100.0
83.04966	30.1
83.08595	20.7
85.02911	11.5
85.06527	11.5
85.96967	8.1
91.05476	46.4
93.07039	84.3
95.04947	17.1
95.08606	96.5
97.02876	16.6
97.06511	17.6
97.10148	9.1
98.97552	22.7
99.04404	8.8
101.00871	8.4
101.06013	22.3
103.49603	6.6
105.07036	74.3
107.04935	11.3
107.08592	97.3
109.06503	15.5
109.10153	42.2
111.04415	8.7
111.08060	25.2
111.47311	6.8
115.05407	9.1
117.06998	28.2
119.01914	22.0
119.08585	85.5
121.10144	65.7
123.08094	9.5
123.11704	16.3
125.09614	13.0
129.05553	6.8
129.06958	12.5
131.08566	36.1
133.10121	59.8
135.08040	18.2
135.11693	42.3
137.09608	8.6
139.07535	19.8
139.11150	14.3
142.07852	7.2
143.08525	19.0
144.92558	8.3
145.10115	49.2
147.11678	44.5
149.09547	9.2
149.13260	23.2
155.08482	8.3
157.10141	29.4
159.11687	48.0
161.09613	7.6
161.13240	25.1
163.11226	10.1
163.14862	12.3
169.10121	16.2
171.11678	26.1
173.09769	6.6
173.13237	22.5
175.14865	10.5
183.11688	8.1
185.13174	17.9
187.14890	35.4
189.16379	28.2
191.17935	13.3
197.13321	9.8
199.14815	14.7
201.16429	18.7
203.10728	9.0
203.17972	31.0
209.13307	14.3
211.14790	10.1
213.16411	16.8
216.44385	6.5
223.14679	9.7
237.16451	11.1
243.08855	7.7
245.05185	10.3
255.09042	8.8
267.08990	20.5
268.08786	7.5
273.18515	27.6
283.08606	15.3
285.10083	27.9
293.22473	8.0
311.23691	12.5
319.24048	18.3
329.21152	10.3
329.24722	66.5
347.21884	9.4
347.25891	19.4
365.15720	7.1
365.19330	56.9
365.24646	46.9
365.28268	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98780	2.1
57.42134	2.3
61.25421	2.5
70.28058	7.4
79.40556	2.3
98.21487	2.5
104.23499	2.3
127.93980	2.5
135.50543	3.1
185.04228	27.0
203.05266	64.0
365.10214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87825	6.0
52.07136	6.0
56.96548	7.2
58.32667	5.9
69.03415	6.9
70.08047	5.5
71.22256	11.3
71.22594	6.0
73.40490	5.9
78.74322	5.8
98.97578	21.2
99.91974	5.6
101.00851	12.8
119.01862	11.3
128.98618	6.9
131.01944	12.0
145.03482	13.9
158.99661	10.4
159.05014	13.1
173.02901	8.6
185.04202	19.3
203.05339	39.6
203.06982	7.8
215.07596	8.5
219.01784	8.5
221.05093	14.7
239.04147	7.0
275.54947	5.8
279.09308	19.5
305.10794	19.4
350.87274	5.8
365.08499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66489	0.6
60.18731	0.6
60.19403	0.7
70.37417	1.5
70.37808	1.5
74.93243	0.8
77.84665	0.6
83.27438	0.6
86.69273	0.8
91.92174	0.8
155.01778	1.0
163.73254	0.8
185.04222	28.4
203.05266	58.7
245.05014	1.3
263.06058	0.8
365.10941	100.0
366.10547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.7
55.01865	9.8
55.05511	41.8
56.96562	16.5
57.03434	10.3
57.07066	8.5
61.63691	7.7
66.44502	7.3
67.05505	52.5
69.03425	47.5
69.07063	44.8
71.04993	13.9
71.61425	10.0
79.05511	21.9
81.03407	16.9
81.07055	100.0
83.04960	7.7
83.08607	21.2
85.02905	27.1
85.06554	65.8
91.05495	24.0
93.07049	60.9
95.04967	14.5
95.08617	80.0
97.06569	9.8
97.10178	11.7
98.97597	41.7
99.08100	15.9
105.07027	29.9
107.08602	44.4
109.02888	12.1
109.06501	13.1
109.10147	57.5
110.97604	11.9
111.08096	17.6
119.08586	22.3
121.06516	10.8
121.10152	30.1
123.08033	8.9
123.11700	28.3
125.09640	19.1
127.03921	17.9
127.11100	9.6
128.98602	19.2
129.07008	9.8
130.84218	7.6
131.08527	18.8
133.10109	20.8
135.11705	20.9
137.13251	15.3
145.10141	24.4
147.11676	15.7
149.13249	26.5
157.10078	8.2
159.11642	11.1
163.14842	18.4
165.16452	9.2
167.07024	42.8
170.99637	9.6
171.13863	12.8
173.09549	9.3
173.13257	15.5
224.13237	8.1
240.65697	7.5
249.02705	15.5
262.43457	7.8
291.26862	17.4
309.27954	27.7
362.59909	8.5
363.21597	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.8
55.05496	22.5
56.96557	7.2
57.07067	7.4
67.05494	24.6
69.03417	8.8
69.07078	44.0
69.71954	12.6
69.72363	19.7
77.41149	6.0
79.05488	19.0
81.07057	100.0
81.07520	10.2
83.08613	17.3
85.06541	33.6
91.05489	15.1
93.07050	41.4
95.04958	8.4
95.08607	67.6
97.06508	5.7
97.10166	10.7
98.21518	5.8
98.97555	7.7
99.08080	15.9
105.07011	14.4
107.08588	39.3
109.10156	38.7
111.08067	8.4
111.11696	8.6
119.08565	21.2
121.10125	27.7
123.11710	29.2
131.08606	6.4
133.10106	8.8
135.11665	17.8
139.11186	8.6
143.08562	7.5
145.10107	7.9
147.11647	10.5
149.13307	32.3
151.14761	6.3
157.10065	6.4
159.11659	9.4
163.14787	7.4
167.07077	25.3
167.14301	12.4
171.13855	7.3
175.14839	7.8
224.03572	5.1
253.25620	5.7
279.26877	7.9
291.26801	13.2
309.27847	11.6
353.45639	5.9
363.21487	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48956	2.0
55.05522	5.9
56.96571	4.1
57.00689	2.4
57.07073	7.4
65.06332	2.8
67.05498	8.4
69.03434	3.1
69.07074	7.3
69.86980	10.3
70.06591	16.4
71.04993	7.8
71.06924	3.1
79.05478	5.8
81.07074	12.1
85.06575	2.6
88.07633	7.0
91.05505	9.6
93.07047	27.0
95.08606	18.8
99.04437	2.9
99.08094	17.2
105.07031	8.1
107.08591	15.0
109.10175	11.7
117.07020	2.7
119.08608	17.6
119.86214	2.8
121.10148	16.0
125.09613	9.3
127.07560	4.2
128.97437	3.0
132.10220	3.5
133.10188	8.2
135.11705	12.9
139.11211	4.1
145.10132	6.4
146.11801	5.6
147.11778	9.6
149.13176	3.7
155.10690	12.6
156.91150	2.9
157.10097	4.3
159.11732	8.8
161.13300	3.7
171.11813	3.2
173.13336	4.4
183.11765	2.6
185.13303	3.5
187.14864	9.9
199.14772	2.6
201.16440	9.7
203.17938	14.6
213.16451	3.6
239.18144	2.8
241.91234	2.6
253.19466	4.2
257.26733	12.2
269.22659	3.3
281.10681	6.0
299.11658	3.7
300.28989	3.1
301.29266	27.0
309.25830	7.5
323.58023	3.2
327.26785	33.3
345.27863	4.5
359.81100	3.2
363.21426	10.3
363.26108	5.6
363.33044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90677	15.8
67.05492	28.7
69.07063	23.5
69.85986	18.8
69.86267	85.5
74.06731	17.9
76.19181	15.3
79.05487	24.2
81.07058	100.0
81.09659	16.2
83.08666	17.3
85.06547	20.4
93.07065	22.3
95.08609	48.5
96.43367	16.2
97.10181	19.0
98.21374	30.4
98.97628	26.4
105.07066	29.6
107.08598	36.7
109.10139	29.7
118.18586	15.9
119.40779	14.4
123.11683	21.8
128.25128	17.7
132.82475	15.2
149.13217	19.2
167.07042	48.2
201.16400	17.2
337.90186	16.9
352.35971	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.94511	1.2
55.01870	1.2
56.96550	2.4
57.03430	3.4
60.04518	4.7
61.02925	6.1
61.31690	1.2
69.03434	11.7
69.07047	3.2
69.58026	5.2
69.58429	2.8
71.04983	1.7
81.03403	3.6
85.02415	2.5
85.02906	37.9
87.04493	2.6
91.03964	2.7
91.05472	1.9
97.02892	14.0
97.66771	1.2
98.20712	1.3
98.97573	3.1
99.04465	2.0
105.06991	1.2
109.02911	2.9
123.04436	100.0
124.12278	1.1
127.03918	7.7
133.06480	3.9
133.39983	1.1
137.06000	13.2
140.07158	1.4
145.04955	13.2
163.06078	1.6
165.05482	77.3
165.09186	2.0
167.07056	1.8
180.08705	6.2
183.06549	15.1
183.10110	2.4
200.09187	3.0
344.24066	2.3
362.14804	2.4
362.24890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96503	0.3
54.75893	0.3
55.05506	0.5
57.07066	0.9
63.89264	0.3
67.05522	1.3
69.07052	1.1
69.30692	2.9
71.08620	0.4
79.05486	0.5
81.07063	1.8
83.08623	0.3
89.06020	0.4
93.07030	0.9
95.08626	1.8
102.86423	0.2
105.07004	0.6
107.08607	0.6
109.10152	0.7
111.11691	0.3
119.08556	0.5
120.79250	0.3
121.10121	0.3
121.56261	0.3
123.11700	0.4
131.08510	0.3
133.08640	0.5
135.11732	0.4
159.11644	0.3
181.12245	0.3
231.92776	0.3
242.54623	0.3
345.28195	0.3
356.42410	0.3
363.28687	100.0
364.29102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.05511	25.4
56.27043	4.2
57.03413	4.0
57.07066	19.2
59.65728	4.2
62.88795	4.4
65.03932	5.7
67.05513	42.3
69.03424	19.9
69.06768	4.8
69.07076	59.4
71.04978	8.0
71.08632	5.6
71.61149	6.3
79.05492	44.8
81.03421	19.0
81.07057	97.1
83.04987	10.2
83.08629	24.6
85.02889	6.9
85.06541	11.1
91.05480	54.6
93.07050	72.5
95.04964	35.0
95.08606	100.0
97.06528	11.3
97.10178	16.2
98.97561	4.7
99.04443	5.1
103.05480	10.0
105.07044	57.0
107.04948	18.3
107.08589	45.6
109.02913	7.7
109.06528	11.0
109.10162	53.0
111.04418	10.1
111.08077	7.4
111.11725	13.3
117.06991	13.0
119.04950	8.6
119.08604	38.0
121.06509	15.5
121.10121	27.3
123.04450	7.7
123.08036	9.8
123.11691	29.6
125.05994	9.7
125.09638	5.8
128.06146	4.5
129.06987	15.2
131.04936	5.8
131.08524	23.6
133.06467	7.6
133.10164	28.9
135.08081	29.2
135.11676	27.7
137.05962	15.1
137.09671	6.2
137.13231	9.2
139.11183	5.0
143.08487	7.0
145.06505	5.9
145.10092	25.9
147.04431	8.6
147.08081	6.6
147.11690	25.2
149.09625	5.3
149.13266	21.8
151.07527	12.9
151.11154	6.1
153.05460	10.8
154.06253	6.0
157.06514	13.6
157.10118	9.1
159.11710	20.1
161.05930	15.6
161.09621	9.8
161.13287	13.2
163.07492	12.7
163.11201	11.2
163.14787	11.1
165.09085	5.9
167.07060	58.4
167.08444	8.1
169.10126	7.8
173.13251	9.2
174.06775	7.8
175.07463	6.0
175.14812	12.5
177.16342	8.4
179.07047	25.7
181.06607	8.6
181.08592	37.9
182.07262	5.5
187.14912	9.5
189.09102	24.4
189.16385	8.6
191.06915	5.5
191.57214	5.7
195.08058	5.2
199.14848	6.2
207.06451	11.2
207.17509	7.3
215.17883	7.8
225.08974	5.5
253.08578	9.6
257.11728	7.6
259.24518	5.6
271.24286	10.7
274.27386	6.9
283.09555	8.0
285.11304	13.4
289.25195	31.3
301.10925	5.3
307.26324	7.2
315.12201	5.9
317.13773	10.4
325.27255	6.5
329.10199	24.8
333.13174	9.8
361.12439	11.3
361.16290	12.0
361.19928	10.3
361.23825	14.7
361.28433	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39351	27.0
54.38840	29.6
55.05505	30.7
64.02338	26.1
68.76541	26.7
69.07060	44.1
70.10201	96.1
70.10617	49.8
73.36074	26.8
73.37591	25.8
79.05477	54.0
81.07037	78.6
91.05476	67.5
93.07040	59.9
95.08594	92.1
105.07031	69.4
107.08627	32.8
109.10118	49.1
112.29908	26.6
117.06808	33.1
119.08570	46.6
121.10130	45.1
144.28139	35.3
147.04439	37.7
149.13339	31.8
167.07028	100.0
181.08649	54.7
189.09087	40.5
192.39021	28.5
280.71790	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	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56574	3.2
53.03942	5.9
55.01850	5.8
55.05521	25.0
57.03430	4.1
57.07069	7.1
59.05004	3.6
65.03922	4.4
67.05505	43.2
69.03432	17.1
69.07069	51.7
69.67087	21.2
71.04984	11.1
78.06815	3.2
79.05492	31.3
81.07057	100.0
83.04942	6.4
83.08610	18.0
85.06541	27.2
87.84517	2.8
91.05483	31.3
93.07046	69.5
95.04939	9.1
95.08607	75.8
95.09545	3.9
97.06527	13.9
97.10171	5.8
98.21479	4.7
99.08067	15.8
103.05518	6.2
105.07028	36.3
106.21973	3.1
107.04942	21.1
107.08601	46.3
109.06490	5.8
109.10151	64.5
111.08079	27.6
111.11698	4.4
117.07024	5.3
118.47551	3.7
119.08600	21.9
121.06493	9.2
121.10123	22.1
123.04414	6.3
123.08077	5.2
123.11707	23.9
124.05193	3.8
125.09626	7.2
127.11214	3.4
128.06204	8.4
129.07039	16.6
131.04936	8.0
131.08569	15.2
133.10141	14.2
135.08044	4.4
135.11716	27.0
137.05949	9.0
137.13252	6.7
139.11191	8.9
143.08592	3.5
145.10109	10.0
147.11676	15.5
149.06009	4.0
149.13275	13.2
151.07527	8.3
153.05463	7.2
153.12698	7.4
157.06529	8.7
159.11719	11.3
161.05983	18.3
161.09618	8.5
161.13229	13.8
163.07552	10.7
163.14783	9.0
165.06990	4.5
165.09109	6.1
165.12724	8.6
166.06268	4.1
167.07071	32.1
169.10138	3.0
171.13791	50.9
173.13231	6.4
174.06723	4.1
175.07475	4.4
175.14951	3.6
177.09084	5.9
177.16348	6.3
177.17932	3.7
181.05031	4.6
181.08621	33.2
187.14723	3.9
189.09091	33.9
189.16389	5.6
195.07959	4.5
197.09570	6.8
207.10126	3.4
211.16928	4.1
211.38133	4.1
215.17958	5.6
225.09154	5.4
227.07082	3.0
251.20090	6.0
253.08444	6.2
254.11514	4.1
257.11707	4.3
257.14130	3.6
271.24182	3.6
273.12396	10.4
277.25406	3.5
279.10223	4.5
285.11136	13.1
289.25223	12.1
295.26242	8.3
301.11374	4.0
307.26279	15.3
315.12234	7.6
317.13782	7.8
325.27411	15.6
343.15613	5.2
361.13617	6.9
361.28946	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	361.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56574	3.2
53.03942	5.9
55.01850	5.8
55.05521	25.0
57.03430	4.1
57.07069	7.1
59.05004	3.6
65.03922	4.4
67.05505	43.2
69.03432	17.1
69.07069	51.7
69.67087	21.2
71.04984	11.1
78.06815	3.2
79.05492	31.3
81.07057	100.0
83.04942	6.4
83.08610	18.0
85.06541	27.2
87.84517	2.8
91.05483	31.3
93.07046	69.5
95.04939	9.1
95.08607	75.8
95.09545	3.9
97.06527	13.9
97.10171	5.8
98.21479	4.7
99.08067	15.8
103.05518	6.2
105.07028	36.3
106.21973	3.1
107.04942	21.1
107.08601	46.3
109.06490	5.8
109.10151	64.5
111.08079	27.6
111.11698	4.4
117.07024	5.3
118.47551	3.7
119.08600	21.9
121.06493	9.2
121.10123	22.1
123.04414	6.3
123.08077	5.2
123.11707	23.9
124.05193	3.8
125.09626	7.2
127.11214	3.4
128.06204	8.4
129.07039	16.6
131.04936	8.0
131.08569	15.2
133.10141	14.2
135.08044	4.4
135.11716	27.0
137.05949	9.0
137.13252	6.7
139.11191	8.9
143.08592	3.5
145.10109	10.0
147.11676	15.5
149.06009	4.0
149.13275	13.2
151.07527	8.3
153.05463	7.2
153.12698	7.4
157.06529	8.7
159.11719	11.3
161.05983	18.3
161.09618	8.5
161.13229	13.8
163.07552	10.7
163.14783	9.0
165.06990	4.5
165.09109	6.1
165.12724	8.6
166.06268	4.1
167.07071	32.1
169.10138	3.0
171.13791	50.9
173.13231	6.4
174.06723	4.1
175.07475	4.4
175.14951	3.6
177.09084	5.9
177.16348	6.3
177.17932	3.7
181.05031	4.6
181.08621	33.2
187.14723	3.9
189.09091	33.9
189.16389	5.6
195.07959	4.5
197.09570	6.8
207.10126	3.4
211.16928	4.1
211.38133	4.1
215.17958	5.6
225.09154	5.4
227.07082	3.0
251.20090	6.0
253.08444	6.2
254.11514	4.1
257.11707	4.3
257.14130	3.6
271.24182	3.6
273.12396	10.4
277.25406	3.5
279.10223	4.5
285.11136	13.1
289.25223	12.1
295.26242	8.3
301.11374	4.0
307.26279	15.3
315.12234	7.6
317.13782	7.8
325.27411	15.6
343.15613	5.2
361.13617	6.9
361.28946	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	361.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29505	1.2
52.76188	1.3
53.56595	1.2
55.05486	2.4
56.31450	1.0
57.07058	3.1
61.35899	1.2
67.05493	5.2
69.07053	3.2
69.98006	5.2
79.05486	2.8
81.07056	5.6
83.08620	1.9
90.46898	1.1
91.05464	3.6
93.07041	2.8
95.08595	5.1
97.10137	1.1
98.21372	2.1
98.43126	1.2
101.05733	1.2
105.07024	3.2
107.04964	1.4
107.08601	3.8
109.10129	2.7
111.74249	1.2
119.08572	3.1
121.10129	4.1
135.07996	1.7
135.11693	2.7
145.10106	2.1
159.11755	1.2
165.09111	6.9
175.14879	1.5
223.13112	2.7
239.67224	1.0
247.17346	1.2
250.75334	1.4
343.26270	1.9
361.23483	100.0
361.27502	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	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23707	1.1
55.05509	2.3
57.07070	1.7
64.16139	1.0
67.05503	3.9
69.07063	2.9
70.93357	3.3
79.05492	3.1
81.07059	8.5
83.08613	1.8
85.72083	1.2
91.05488	2.7
93.07047	4.3
95.05002	1.7
95.08604	5.6
96.54867	1.0
97.06538	1.1
105.07034	2.6
107.08591	4.4
109.06577	1.3
109.10156	3.1
119.08585	1.5
121.10147	1.9
123.08070	1.2
123.11713	1.4
131.08569	2.4
133.10161	1.3
135.08038	1.4
135.11729	1.9
137.09625	1.4
145.10104	2.3
149.13231	1.3
157.10149	1.7
161.13223	1.3
165.09116	4.8
167.07191	1.0
171.11772	1.3
173.13409	1.5
223.13063	2.2
343.26285	1.8
361.23505	100.0
361.27512	5.8
362.24011	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
51.70445	1.4
53.03950	4.3
54.88863	1.6
55.01851	2.7
55.05502	2.9
67.05482	2.2
69.03439	3.5
69.07033	1.7
70.08626	1.5
70.89119	4.5
71.04975	1.6
78.04705	3.3
79.05493	19.5
80.31847	1.6
81.07074	8.6
91.05480	25.6
93.07044	16.6
93.32606	1.8
94.04219	2.3
95.04944	8.0
95.08583	3.6
103.05446	13.2
105.04526	1.8
105.07039	11.6
107.04961	32.9
107.08591	4.2
109.06513	5.1
109.10118	3.6
115.05422	6.4
117.07008	6.2
119.04943	7.5
119.08575	4.8
121.02798	2.5
121.06513	21.7
122.03677	1.9
123.04441	8.7
124.05197	6.6
125.05978	4.6
128.06200	9.5
129.06133	2.2
129.07011	25.0
131.04933	9.5
131.08575	10.1
133.02829	3.3
133.06490	4.1
133.10126	3.4
134.03603	1.9
135.04416	4.0
135.08031	6.9
137.05969	16.5
139.07484	1.9
143.08572	1.9
145.06459	6.8
146.07291	3.0
147.04402	4.3
147.08034	2.7
148.05185	5.3
149.05963	6.4
149.09564	2.5
151.03864	4.7
151.07547	23.6
152.04631	4.1
152.06233	1.9
153.05463	14.6
153.06866	3.4
155.07130	1.9
157.06499	18.1
159.07993	2.9
160.05255	2.0
161.05969	37.5
161.09595	13.1
162.06764	1.9
163.07547	16.8
165.06949	7.6
165.09079	8.3
166.06241	9.0
166.07689	3.4
167.07051	100.0
167.08510	7.0
169.10088	2.7
171.07916	2.3
174.06755	10.4
175.07541	8.8
177.06981	2.5
177.09178	9.8
177.10410	1.7
178.07739	4.5
179.07152	3.4
179.08548	6.0
179.10619	1.7
181.06625	4.5
181.08594	85.2
182.07236	7.2
187.07539	2.8
189.09106	71.3
191.08522	4.7
193.06532	4.1
193.08557	3.2
194.07275	4.8
195.08078	11.7
197.05902	2.2
197.09607	8.8
199.07600	2.2
207.08099	4.6
207.10153	16.0
208.05347	1.8
209.05983	2.6
209.09566	2.8
210.06743	5.3
211.07524	6.9
212.08371	2.2
219.08041	7.4
219.10095	2.1
221.05974	5.6
222.06732	3.0
223.07512	6.8
223.11143	3.1
224.08307	2.8
225.05479	3.0
225.09067	14.9
227.07024	4.9
227.10654	2.5
229.12328	2.1
235.07516	3.5
236.08279	4.6
237.09077	4.4
238.06125	3.2
239.06976	7.9
239.10632	2.6
240.07660	3.4
241.08591	4.4
242.09393	2.7
247.07550	3.8
251.06975	5.8
251.10626	5.8
253.08617	15.1
254.09404	2.8
255.06500	4.9
255.10115	7.2
257.11664	14.9
265.08612	3.3
267.10199	3.7
268.07220	3.3
268.10971	2.1
269.08102	3.1
270.08917	5.3
271.13300	4.0
279.10043	4.9
281.08005	3.0
283.09634	12.1
283.13226	10.3
285.11215	31.4
297.11209	4.4
299.09000	4.7
299.12415	2.2
302.11462	4.8
305.13800	2.6
311.09280	2.1
311.12738	6.5
312.10083	1.9
314.11539	2.1
315.12231	17.3
317.13834	21.4
328.12622	2.0
329.13708	3.9
331.15314	1.8
343.15652	10.1
361.16409	11.7
361.28619	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.7
55.01881	3.2
55.05507	7.2
55.63337	2.4
55.74605	2.2
57.03428	2.7
67.05500	9.5
69.03442	2.5
69.07057	6.5
70.92977	4.3
71.04992	3.4
79.05507	22.1
79.81149	2.4
81.03417	4.5
81.07056	16.6
83.04975	3.4
85.06555	3.0
91.05483	32.9
93.07042	19.6
95.04977	13.1
95.08603	8.2
96.95496	2.4
97.06511	3.7
98.97549	2.3
103.05460	13.2
105.07034	19.7
107.04955	40.1
107.08609	6.6
109.02898	3.5
109.06541	6.2
109.10153	9.1
111.08145	2.5
115.05457	6.9
117.07006	7.4
119.04935	8.0
119.08584	3.7
120.05723	2.4
121.06523	27.4
121.10107	3.0
123.04385	12.5
123.11722	4.2
124.05183	6.2
125.05957	3.3
128.06206	12.0
129.07014	27.7
131.04927	10.5
131.08554	15.0
133.02858	4.1
133.06485	7.0
134.79735	2.1
135.04442	3.6
135.08047	8.9
135.11694	5.1
136.05156	3.9
137.05962	23.0
139.07599	2.7
143.04887	2.7
143.08543	3.9
145.06464	7.6
145.10052	4.9
146.03593	2.3
146.07283	3.1
147.04457	7.6
147.08052	4.4
148.05222	7.2
148.85629	2.6
149.06000	10.8
151.03929	8.4
151.07533	28.8
152.04723	5.7
153.05437	15.9
153.06763	2.0
157.06511	21.2
157.10144	3.2
159.07986	2.9
161.05975	43.6
161.09630	16.1
161.13295	2.5
163.07521	24.5
165.05702	4.5
165.07022	13.6
165.09088	11.6
166.06274	10.1
166.07584	2.5
167.07047	93.2
167.08334	4.3
169.10150	4.4
174.06747	11.8
175.07574	9.0
176.06296	2.3
177.05531	2.7
177.06953	4.5
177.09126	10.3
178.07773	3.1
179.07005	6.5
179.08575	7.6
180.07776	2.5
181.06415	5.2
181.06691	4.1
181.08604	100.0
182.07324	8.6
183.06517	4.5
183.08023	3.5
184.05246	2.3
189.09114	79.7
190.07779	3.3
191.07007	3.9
191.08563	4.1
193.06564	6.4
193.10175	3.1
195.08072	12.3
197.09647	9.4
199.07590	4.2
207.08315	4.8
207.10182	16.7
208.08884	5.0
209.05923	2.9
210.06830	6.2
211.07564	3.9
218.07260	3.0
219.08046	6.0
219.10048	2.6
221.05939	6.1
221.09686	2.9
222.06923	3.9
223.07565	6.2
223.11272	4.4
224.08156	4.4
225.05585	3.2
225.09059	21.3
227.07013	7.4
227.10632	3.8
235.07600	5.5
236.08415	3.3
237.09120	3.6
238.06128	2.8
239.07047	4.5
239.10635	5.0
240.07835	7.8
241.08589	6.1
242.09409	3.8
251.07132	4.2
251.10669	9.7
251.13828	2.3
253.08559	15.8
255.06635	3.2
255.10202	6.4
257.11685	16.4
265.08466	4.7
268.07294	4.0
269.08365	2.9
270.08948	5.5
271.09799	3.8
271.13177	5.0
279.10144	9.1
283.09662	15.3
283.13269	11.2
285.11200	32.0
297.11035	5.2
299.09210	4.9
299.12814	6.2
302.11450	4.0
303.12198	3.6
311.12753	8.7
315.12210	20.1
317.13800	19.2
329.13745	4.7
331.15439	3.8
343.15421	7.5
361.16281	12.0
361.23221	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01868	3.6
55.05508	2.8
59.23695	2.1
65.03934	2.6
67.05500	4.3
69.07056	3.4
69.29807	8.6
69.30232	11.1
71.04976	2.4
77.03922	2.1
79.05499	19.3
81.07051	10.5
83.04996	3.4
85.06539	4.1
91.05478	28.2
93.07039	15.4
95.04939	6.9
95.08619	6.5
97.06544	2.1
103.05472	15.8
105.07046	15.2
107.04961	35.6
107.08561	5.6
109.06496	3.0
109.10139	5.4
115.05456	4.6
117.07005	7.0
118.04218	2.5
118.18796	1.9
119.04947	6.5
119.08594	5.1
120.05737	3.6
121.06505	16.9
123.04436	9.4
123.11697	2.4
124.05227	4.9
125.06014	3.7
128.06215	8.9
129.07018	30.5
131.04930	11.7
131.08530	10.5
133.02879	2.7
133.06462	3.9
135.04439	3.2
135.08047	6.6
137.05969	19.2
142.08662	2.1
145.06471	7.8
146.07234	3.1
147.04417	6.5
148.05185	5.7
149.05952	7.5
150.06721	2.6
151.03931	3.7
151.07547	15.7
152.04626	3.7
152.06215	2.1
153.05466	12.4
155.07018	2.4
157.06493	25.0
159.07959	3.3
161.05989	45.4
161.09584	12.3
163.07556	20.0
165.01787	2.8
165.06964	8.2
165.09102	12.0
165.12773	2.2
166.06282	11.1
166.07622	2.7
167.07065	70.8
167.08549	5.3
171.13794	6.2
174.06810	11.5
175.07581	10.1
177.05521	2.5
177.06976	4.9
177.09109	12.3
178.07637	3.6
179.07147	4.0
179.08607	7.8
181.05070	2.8
181.08598	100.0
182.07202	8.2
182.08812	2.0
183.08070	3.0
189.07343	4.3
189.09105	81.1
190.07802	3.7
191.08549	3.7
191.10524	2.5
192.35695	2.4
193.06569	4.6
194.07309	3.6
195.08116	11.9
197.06084	4.0
197.09608	9.5
203.10506	3.1
207.08162	4.0
207.10162	19.4
208.08768	4.0
209.05919	2.7
209.09720	2.8
210.06700	5.9
211.07527	6.9
212.08209	4.4
219.08052	5.7
221.06007	5.7
222.06735	4.2
223.07538	6.5
223.11145	4.6
225.09074	18.8
227.06972	5.1
229.12346	3.7
236.08279	3.7
237.09094	4.4
239.06879	3.3
239.10719	2.6
240.07852	5.4
241.08516	2.8
242.09460	4.0
245.13010	3.0
247.07556	2.6
251.07024	4.9
251.10677	7.4
253.08614	17.1
255.06592	3.8
255.10274	4.0
257.11679	17.2
264.07779	2.2
265.08563	4.2
269.08145	2.8
270.08771	3.5
279.10162	4.3
283.09882	10.6
283.13263	8.5
285.08002	4.1
285.11221	38.9
296.10379	3.3
297.11118	4.3
299.12711	5.7
301.11676	3.7
302.11465	4.4
311.12708	5.9
315.12271	18.1
317.13879	24.5
329.10883	3.6
329.14218	3.2
331.15396	3.8
343.15381	9.2
360.02097	2.3
361.16373	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01870	3.7
65.03937	2.0
67.05513	3.8
69.03432	3.3
70.93494	4.6
78.04718	2.5
79.05499	18.7
81.07056	6.1
85.02918	2.9
85.06514	2.4
91.05482	33.1
93.07047	12.5
95.04978	9.5
95.08616	3.5
103.05463	16.0
105.04460	2.5
105.07043	15.9
106.04166	2.6
107.04955	36.3
107.08598	3.4
109.06464	3.6
109.10169	2.6
110.03680	2.0
111.04485	4.2
115.05460	4.9
117.07037	5.5
119.04968	8.6
119.06053	1.5
119.08604	4.4
120.05734	4.5
121.06507	28.1
122.03683	3.5
123.04432	7.3
124.05221	4.9
125.05980	6.1
128.06230	12.7
129.07004	31.3
131.04924	13.1
131.08565	16.6
133.02858	6.5
133.06491	8.8
135.04396	3.3
135.08035	8.6
136.05176	2.5
137.05986	24.2
140.04683	2.5
143.04985	2.2
144.05724	2.4
145.06497	8.0
146.07289	5.2
147.04405	6.3
147.08058	2.1
148.05217	5.4
149.05986	9.2
151.03937	5.1
151.07532	19.1
152.04698	6.1
152.06221	3.5
153.05499	15.7
153.06662	3.1
154.07826	2.1
157.06497	21.7
159.08064	2.6
161.06001	46.0
161.09637	13.6
163.07552	24.0
165.05603	4.2
165.07048	9.4
165.09113	9.1
166.06265	13.5
166.07684	4.6
167.07056	75.5
167.08514	6.1
169.06499	2.3
169.10007	2.3
171.08096	2.5
173.05981	2.9
174.06764	13.4
175.07596	10.7
177.07123	2.4
177.09120	12.5
178.07809	3.8
179.07004	5.1
179.08578	7.6
181.06625	6.1
181.08598	100.0
182.07285	7.6
183.08069	2.6
187.07500	2.3
189.09113	87.4
191.08595	6.2
191.10510	2.3
193.06522	6.0
194.07301	5.7
195.08072	16.5
197.06100	4.7
197.09625	11.6
199.07596	5.7
203.10675	2.2
207.08083	5.6
207.10179	12.9
208.08934	6.0
209.05931	3.4
209.09634	2.1
210.06706	11.0
211.07568	8.0
212.08441	4.3
219.08090	6.0
221.06000	6.7
222.06763	3.3
223.07510	11.2
223.11218	5.0
224.08356	3.4
225.09082	22.9
226.05956	1.9
227.07036	7.8
227.10823	2.0
229.12299	5.1
236.08368	4.3
237.09117	2.9
238.06367	2.7
239.06967	4.3
239.10692	5.5
240.07893	7.0
241.08577	3.5
243.10048	2.2
247.07582	2.5
251.07033	5.6
251.10699	7.8
252.07555	2.2
253.08629	16.8
254.09378	3.9
255.06573	5.2
255.10188	7.1
257.08035	3.6
257.11722	15.5
264.07794	3.4
265.08685	4.3
267.06573	3.3
267.10156	4.6
269.08066	2.2
270.08878	6.1
271.13290	3.0
276.90518	2.0
279.10233	6.4
283.09692	13.6
283.13309	10.0
285.11209	40.5
297.11209	4.5
299.09213	3.5
299.12695	4.7
302.11514	4.2
311.12723	8.3
313.10892	2.3
315.12238	19.2
317.13806	22.0
329.13864	3.0
331.15353	3.4
343.15463	11.3
361.16370	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	361.1644
Annotation	Jamesoniellide H
Peak:m/z	Relative Intensity
53.03941	13.4
55.01867	8.0
55.05492	19.3
56.96545	10.2
57.38915	8.5
67.05514	16.7
67.76467	6.0
69.07066	12.6
69.32068	6.8
69.52132	48.3
71.04977	7.1
76.38379	7.2
79.05492	31.1
81.07038	31.2
91.05486	39.2
91.52094	6.5
93.07042	25.5
95.04965	16.7
95.08604	37.4
97.02911	8.6
97.06523	18.9
103.05470	26.6
105.07021	76.6
107.04930	31.6
107.08584	22.7
109.02859	8.3
109.06510	16.1
109.10139	17.9
109.33319	9.1
115.05440	33.6
117.06986	14.8
119.04958	11.6
119.08572	20.7
121.06493	30.9
121.10118	14.8
123.08060	11.5
123.11710	8.6
129.07024	15.4
131.04985	13.7
131.08546	12.6
132.05702	7.4
133.06462	48.3
133.10143	12.4
135.04514	7.8
135.08003	13.1
135.11655	12.6
136.05244	10.5
137.05977	19.6
143.04912	12.0
143.08540	11.8
145.06474	9.0
145.10120	11.8
147.08015	22.7
147.11662	16.7
149.13161	6.7
151.07526	39.3
157.06456	9.2
158.77119	6.6
159.11656	15.7
161.05974	74.7
161.09579	12.5
163.03912	46.2
163.07495	13.1
165.07022	8.2
165.09154	7.5
166.06219	9.3
167.07018	100.0
171.11618	8.9
175.07527	13.2
175.11241	10.0
176.08353	40.2
177.05528	35.4
177.09142	6.9
178.06282	62.4
179.07080	16.3
179.10681	10.3
181.08594	49.4
181.09941	8.8
189.09029	19.9
191.07095	7.7
192.07799	65.6
193.08617	54.8
194.07149	7.4
195.08025	7.1
195.10007	7.1
199.58450	7.0
207.10139	82.5
209.13280	11.4
222.94664	8.0
223.07457	9.9
224.93513	7.0
227.10521	8.2
241.42017	6.6
255.10127	9.5
262.80103	7.1
283.09735	12.4
285.11325	12.6
299.09094	11.0
329.13779	11.3
343.19150	8.1
346.14117	12.7
361.16388	93.4
361.20175	11.9
361.23877	15.7
361.28781	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
62.32183	4.5
69.70632	23.9
69.95067	3.3
79.05494	20.1
81.03422	3.9
91.05484	39.0
93.07061	18.2
95.04952	14.3
98.97560	4.5
99.87302	3.8
103.05470	21.0
105.04527	4.5
105.07013	15.7
107.04955	60.0
115.05437	6.1
117.06969	7.7
119.04922	12.6
119.08630	3.9
120.05717	6.5
120.76494	3.6
121.06506	20.1
122.03640	4.5
123.04427	7.4
128.06219	10.9
129.07021	27.3
131.04909	21.1
131.08546	11.5
133.02852	5.9
135.04408	4.6
135.08058	12.4
136.05191	5.0
137.05977	49.4
140.06984	3.9
145.06490	11.5
147.04384	6.1
147.08034	7.4
148.05179	6.7
149.05948	15.1
151.03905	10.3
151.07555	32.6
152.04610	3.6
153.05435	15.7
153.06786	3.6
157.06505	27.2
161.05994	60.9
161.09592	14.9
162.06667	5.4
163.07539	51.9
165.05392	11.1
165.06978	10.8
165.09077	11.0
166.06213	11.8
167.07039	67.2
169.06464	5.5
173.05983	5.5
174.06721	11.3
175.07523	10.5
177.09106	13.0
179.07025	5.0
179.08601	5.9
180.07744	10.1
181.06755	6.7
181.08582	100.0
182.07314	5.5
185.05522	3.8
189.09109	86.6
195.08015	14.3
197.06091	5.3
197.09558	12.0
207.08189	7.9
207.10136	24.9
208.08679	4.6
210.06731	8.4
211.07487	4.3
211.11316	4.1
219.08009	8.5
221.05898	9.3
221.09569	4.2
222.06738	4.3
223.07542	7.6
225.09082	16.1
227.06967	4.7
227.10796	4.8
235.07491	5.0
237.09082	5.0
239.06998	6.3
240.07767	4.7
251.06905	4.0
251.10599	6.2
253.08626	17.4
255.06575	4.1
255.10107	8.5
257.11688	30.8
265.08554	4.8
267.10318	5.5
279.10205	4.8
283.09644	10.1
283.13223	8.1
285.11203	38.3
287.12857	6.9
297.11206	5.3
299.12729	9.0
311.12845	6.2
315.12338	19.8
317.13776	20.6
329.13684	8.0
343.15396	12.9
361.16605	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01854	3.5
67.05512	2.5
70.85300	4.7
78.33136	2.4
79.05489	16.8
81.07063	2.3
83.04977	2.9
85.10204	1.8
91.05476	32.6
93.07033	13.4
95.04962	6.5
98.97585	3.5
100.38256	2.0
103.05486	23.8
105.07039	16.7
106.04191	2.7
107.04959	54.3
115.05450	8.1
116.06268	1.9
117.07018	9.7
119.04963	8.2
119.08603	2.9
120.05730	3.2
121.06497	20.3
123.04440	8.7
124.05207	3.8
125.06028	3.5
128.06216	6.6
129.07016	24.3
131.04922	12.4
131.08560	10.5
133.02815	3.6
133.06482	5.4
135.04420	2.9
135.08037	10.5
136.05203	3.1
137.05969	24.0
138.03029	2.0
145.06474	7.2
146.03641	2.4
146.07312	3.8
147.04419	4.5
147.08104	3.7
148.05194	2.4
149.05984	6.0
151.03912	5.1
151.07552	20.2
152.04713	2.7
153.05479	12.3
153.06825	2.8
157.06493	18.2
159.08067	3.5
161.05972	39.3
161.09561	11.6
163.03928	3.8
163.07542	47.5
165.05498	7.1
165.06990	8.9
165.09128	8.2
166.06326	9.8
166.07466	2.5
167.07048	64.4
167.08444	3.9
171.08151	2.3
173.06004	3.6
174.06802	15.1
175.07588	7.5
177.06900	2.4
177.09140	9.0
178.07751	2.9
179.05670	2.3
179.07048	11.0
179.08521	5.1
179.10724	2.2
180.07841	13.7
180.09142	2.3
181.06731	3.9
181.08594	100.0
182.07291	7.4
189.09109	77.4
189.11754	2.3
190.07861	2.4
191.06927	2.3
191.08615	4.2
191.10670	2.8
193.06546	5.0
193.08510	1.9
194.07317	3.9
195.08057	10.1
195.09828	2.0
196.08821	2.9
197.05943	3.7
197.09604	9.9
199.07617	2.3
207.08188	4.7
207.10170	15.5
208.08830	4.4
209.09485	2.5
210.06825	6.2
211.07550	6.4
212.08182	2.1
219.08141	2.6
221.05959	5.1
222.06834	3.6
223.07530	6.2
223.11200	4.5
224.08212	2.4
225.05511	4.1
225.09039	15.0
227.07108	4.6
235.07553	4.8
236.04724	2.2
236.08337	3.7
237.09341	2.4
238.06200	2.7
239.07056	2.7
239.10715	3.1
240.07767	6.2
241.08636	4.5
247.07649	3.6
251.07074	4.2
251.10686	4.1
253.08569	17.1
255.06500	3.0
255.10252	5.0
257.11734	15.2
267.10068	2.6
268.07224	2.5
270.08890	2.8
279.10147	7.2
281.07935	2.4
283.09619	8.6
283.13284	8.3
285.11234	34.5
296.10532	2.4
299.09387	2.7
299.12839	4.5
301.14236	2.0
302.11356	4.1
311.12714	7.5
315.12241	17.7
317.13809	19.0
328.13135	3.3
343.15417	6.2
361.16467	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.6
53.03940	7.4
53.95782	2.1
55.01868	3.5
55.05503	4.8
56.96553	11.3
57.03440	2.8
60.85789	2.4
67.05492	8.8
69.03420	10.7
69.07069	5.5
71.04985	5.3
71.48785	2.2
71.61056	3.7
71.61446	3.4
73.62958	2.5
78.04727	3.4
79.05109	3.2
79.05502	26.4
81.03408	7.0
81.07072	12.0
83.04962	4.2
84.10934	2.5
84.96018	2.6
85.02885	8.6
85.06516	3.4
91.05477	29.9
93.07065	20.1
95.04973	14.5
95.08591	9.6
97.02873	5.9
97.06532	5.2
98.97587	31.3
100.39977	2.3
103.05444	10.7
105.04505	3.1
105.07047	16.4
107.04958	51.0
107.08587	10.6
109.02877	10.5
109.06490	6.0
109.10137	8.7
110.97559	8.0
111.04426	4.3
115.05456	6.8
116.98630	15.6
117.06981	8.1
119.04989	5.8
119.08588	7.6
120.05710	3.1
121.06512	20.8
121.10136	7.2
123.04427	10.6
123.08074	2.7
123.11694	5.0
124.05224	8.4
125.05965	6.0
125.09678	3.0
128.06210	9.4
128.98596	9.0
129.07008	19.6
131.04951	13.9
131.08575	16.8
133.02872	4.1
133.06442	6.4
133.10172	3.5
134.99637	4.3
135.04367	3.6
135.08038	7.3
135.11681	4.6
137.05949	20.8
138.06651	2.4
140.04666	3.2
141.06970	4.4
143.00168	2.9
143.08604	3.4
144.05620	3.7
145.06451	7.1
145.10107	4.8
146.07278	2.5
146.99655	5.4
147.04437	4.1
147.08109	4.4
147.11731	3.8
149.05995	7.6
151.03893	3.0
151.07549	13.8
152.04659	6.9
153.05450	10.4
157.06470	16.5
157.10037	2.7
158.99643	4.9
159.08051	7.7
159.11719	3.6
160.05231	2.8
161.01210	4.1
161.05981	34.4
161.09583	7.5
163.07545	16.4
165.06967	6.7
165.09082	8.9
166.06236	5.6
167.07051	100.0
168.07315	3.7
169.10077	4.0
170.99673	4.5
173.06033	2.5
174.06721	10.8
175.07561	8.6
177.00754	3.6
177.09129	7.0
179.07021	6.6
179.08551	3.7
181.05074	4.7
181.06398	3.6
181.08598	71.6
182.07251	6.5
183.07997	3.0
185.13345	3.4
187.07524	11.0
189.09126	52.5
193.06477	4.6
193.08495	3.6
195.08057	8.6
197.09604	7.1
207.08217	4.0
207.10144	10.5
208.08757	4.4
210.06871	3.1
211.07504	4.2
215.07079	2.6
217.12180	2.5
219.01767	13.8
219.08054	5.2
219.10104	3.7
220.08951	3.1
221.05943	5.6
223.07596	5.4
225.09073	14.9
227.06985	4.0
227.10681	4.0
229.12270	2.5
229.18059	5.7
236.08348	3.4
237.02882	17.1
237.09012	3.9
239.06906	6.0
240.07843	6.6
242.09390	3.6
247.09720	4.1
251.10660	5.1
253.08571	11.0
257.11722	13.7
261.02823	5.2
268.07312	3.9
270.08859	3.9
271.13385	4.0
279.03882	3.3
279.10074	5.1
283.09641	11.2
283.13278	6.5
285.11258	22.4
301.08292	6.1
311.12579	5.8
315.12234	12.5
317.13898	14.3
329.13742	3.7
343.15302	7.6
361.16290	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	52.4
55.05742	11.1
67.05505	89.8
69.07063	39.3
70.19560	34.5
71.05007	82.4
73.69157	9.8
79.05500	79.2
81.07048	41.5
83.08631	21.1
87.08130	11.8
91.05467	32.2
93.07034	69.7
95.08623	37.7
97.10147	21.4
105.07060	15.6
105.43256	12.4
107.08595	62.8
109.10158	74.7
119.08570	22.1
121.10139	72.5
125.09615	23.1
133.10120	12.1
149.09535	9.7
153.12762	60.9
155.10696	29.4
173.11769	100.0
185.13155	11.4
189.11243	24.1
275.20044	65.3
296.36749	10.2
310.16229	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	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.05505	8.1
56.96572	11.4
67.05490	7.1
69.03431	15.7
71.60522	6.4
71.60899	8.7
79.05480	18.6
81.07069	7.6
85.02885	29.7
86.09650	9.1
89.03912	12.1
91.05463	16.1
93.07024	20.8
97.02846	9.3
98.97564	20.4
107.04919	10.9
110.97598	10.4
113.16534	6.5
116.96835	5.5
116.98550	9.5
119.04937	20.6
120.47480	6.5
121.06511	31.5
122.34058	7.1
127.03917	11.2
131.04874	11.8
135.04381	18.6
137.05975	15.0
139.07523	15.3
144.96027	7.0
145.02704	9.2
147.04399	59.5
163.03938	56.3
163.07509	22.3
164.04236	8.4
167.07027	100.0
169.02588	27.1
177.53291	6.7
185.08083	8.6
191.05516	6.8
195.54555	6.5
197.04210	8.1
199.09650	29.0
215.05200	38.6
219.01811	11.5
237.02843	10.7
299.13986	5.9
312.42084	7.0
343.07642	9.6
361.08899	79.6
361.14078	64.1
361.18332	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07863	8.4
55.05509	67.4
59.05005	55.5
67.05498	100.0
69.03429	9.3
69.07067	95.9
71.04987	70.2
71.60971	8.9
73.02879	11.0
79.05487	70.7
81.03418	18.7
81.07061	62.0
82.99024	9.1
83.04951	15.2
83.08620	45.5
85.06540	11.0
90.37368	8.9
91.05466	41.7
93.07044	66.6
95.01332	8.6
95.04959	22.5
95.08602	34.5
97.06534	44.4
97.10184	47.8
105.07030	31.3
107.04964	13.9
107.08604	53.7
109.06483	12.9
109.10142	37.1
111.08070	12.7
115.07552	28.2
117.07037	10.8
119.08543	18.1
121.06476	18.6
121.10138	39.9
123.11739	12.1
124.68335	8.3
125.09625	53.3
129.68228	8.6
131.08580	26.6
133.10098	18.8
137.09644	14.0
139.07542	11.8
145.10147	22.2
147.11710	18.0
149.13345	9.1
153.12769	16.2
173.11710	40.9
174.66415	10.0
176.10461	9.3
180.77066	10.7
189.11165	15.9
223.13225	15.7
275.20053	20.1
360.23215	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	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91988	3.9
53.61106	3.8
55.01869	8.9
57.03429	9.5
61.02913	6.8
62.06082	6.1
62.50081	4.0
69.03436	35.2
70.13692	7.4
70.14104	15.3
73.02899	6.1
81.03410	8.5
85.02416	6.3
85.02908	100.0
87.87399	4.4
89.03896	6.9
91.03954	4.2
97.02889	37.2
99.04458	6.4
101.02354	6.6
106.87146	4.4
109.02879	6.2
114.19434	4.6
117.03345	8.9
127.03922	70.7
135.04367	5.8
145.04976	65.3
163.03908	49.3
163.06001	16.8
164.04280	4.5
185.02911	6.9
187.04549	9.4
197.02937	5.2
245.04955	8.3
274.86856	4.4
275.06067	7.5
287.06061	5.0
350.61804	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	360.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18180	3.5
51.47430	3.3
55.01854	9.5
56.96571	7.5
57.03430	15.8
61.02914	11.0
62.28157	3.5
63.63933	2.8
65.59467	3.5
69.03435	35.0
69.69055	22.6
70.06586	5.5
73.02917	22.8
81.03418	6.7
85.02409	6.3
85.02907	100.0
85.35126	3.4
89.03899	5.5
91.03944	4.5
97.02908	41.3
98.97582	23.8
99.04459	8.5
107.04946	4.4
109.02874	7.4
110.97550	5.0
116.98612	8.3
119.01884	4.1
127.03940	50.6
131.00259	4.4
132.45193	3.7
135.04395	5.3
143.00121	3.6
145.04959	52.0
146.99634	3.5
156.03300	17.0
158.99680	8.1
161.02966	7.1
163.03937	22.4
163.06062	16.4
168.03336	6.7
174.04396	14.5
177.00650	3.9
180.06519	5.8
186.04419	30.2
198.07631	6.0
199.05482	4.6
204.05518	20.0
219.01787	11.2
221.04990	4.3
222.35138	3.7
228.05682	13.5
231.02911	4.1
237.02884	7.2
245.05038	4.4
249.03969	8.3
265.06003	12.9
271.07431	7.3
275.06152	5.9
280.08194	4.5
297.11151	5.8
342.08398	4.3
360.12744	11.5
360.16760	5.8
379.08563	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	359.2944
Annotation	24:5 (n-3)
Peak:m/z	Relative Intensity
55.05506	11.7
55.31459	2.3
57.07068	7.1
58.06655	2.3
64.51937	2.4
66.51021	2.1
67.05503	16.1
68.89322	2.1
69.07063	11.3
70.06583	4.2
71.61934	2.5
79.05486	10.1
81.07061	27.4
83.04984	2.5
83.08604	7.6
85.06527	3.0
88.07609	2.5
91.05490	14.4
93.07045	25.0
95.04960	2.4
95.08610	61.6
96.63465	2.6
97.06540	3.8
97.10166	3.6
98.83186	2.2
99.08099	6.7
102.09191	2.4
105.07030	21.5
106.08640	2.3
107.08592	40.9
109.06538	4.2
109.10146	28.4
111.08138	5.0
119.08585	82.9
119.09451	4.0
121.06498	3.2
121.10160	30.9
123.08081	4.1
123.11719	16.4
125.09601	5.3
131.08600	9.6
133.10141	44.3
135.08078	8.3
135.11702	28.3
137.09586	3.4
137.13255	5.1
145.10133	21.1
147.11658	17.6
148.35449	2.7
149.13277	10.7
151.11127	3.5
157.10156	4.5
159.11691	15.7
161.09746	2.6
161.13213	13.0
163.14857	12.2
171.11681	5.8
173.13315	7.4
175.14819	7.7
177.16394	2.8
179.14339	2.7
186.49214	2.7
187.14841	9.4
189.16371	8.8
191.17938	11.4
201.16394	9.9
205.15952	3.0
207.17557	2.4
211.68608	2.6
213.16393	3.0
215.18019	3.2
217.19534	3.6
219.21158	3.1
229.19530	3.6
253.19585	2.7
323.27325	17.3
341.24841	2.8
341.28497	13.5
341.31836	2.4
341.35858	3.5
359.21902	8.2
359.25763	7.6
359.29492	100.0
359.36829	35.7
377.58810	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	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
53.22674	5.2
55.01859	12.1
55.05498	22.0
57.07063	6.5
64.48926	5.6
65.03944	7.1
67.05508	53.0
69.03427	18.0
69.07063	43.5
71.27892	10.9
72.86924	6.3
79.05493	41.0
81.03397	16.8
81.07059	100.0
83.04997	8.1
83.08607	19.6
85.02886	13.3
85.06533	39.5
86.09702	13.0
88.95929	8.2
91.05474	36.7
93.07043	58.8
95.04948	28.1
95.08607	97.3
97.06521	19.3
97.10162	14.7
99.04453	8.8
99.08082	9.1
105.07024	32.8
107.08613	39.6
107.09241	8.3
109.06493	9.7
109.10154	51.4
111.08078	11.0
113.09648	9.1
117.07033	17.6
119.08578	38.2
121.06468	16.4
121.10127	28.2
123.11706	23.4
125.06017	7.0
125.09660	7.0
131.08556	20.3
133.10118	32.4
135.08028	18.8
135.11678	26.2
137.05969	20.4
137.09682	5.9
137.13313	7.9
143.08548	12.0
145.10167	28.9
147.08043	11.4
147.11674	22.2
149.13234	24.1
151.04019	11.2
151.11063	7.6
157.10086	10.9
159.11662	18.9
161.13239	12.5
162.40492	6.3
163.07565	7.9
163.11127	8.3
163.14754	7.5
171.11612	9.0
173.13254	16.3
175.07555	8.3
175.14781	8.5
177.12701	6.4
179.06947	7.6
187.14824	7.5
189.16411	8.3
191.14375	6.6
199.14806	7.1
203.18102	7.3
209.15462	9.1
257.22696	6.4
269.22696	14.6
275.23813	9.9
287.23663	31.4
305.24680	22.4
313.10770	12.3
313.14291	11.1
323.25797	8.3
327.11902	8.8
341.13861	11.0
359.16055	14.4
380.27835	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	1.6
54.79510	0.8
55.01883	1.2
57.03420	2.3
61.02915	2.5
63.93056	0.8
67.05492	1.6
69.03431	8.2
69.27035	8.2
71.70863	0.9
73.02917	1.3
79.05489	1.2
81.03413	4.0
81.07029	2.5
82.34717	0.9
85.02910	31.1
86.09676	1.1
91.05476	5.5
93.07047	9.1
95.04951	2.6
97.02892	7.0
98.30556	0.9
99.04423	1.5
105.07025	9.6
107.08595	24.5
109.02875	3.0
109.10120	1.5
112.34264	0.9
119.08572	3.6
121.06469	2.4
123.11685	1.0
126.13483	0.8
127.03943	6.0
131.08475	1.1
133.10135	24.3
135.11691	23.4
137.09589	2.0
137.97212	0.9
140.75507	0.9
145.04984	2.8
146.07216	1.1
151.11177	2.1
161.09622	11.9
179.10667	39.6
180.33539	0.8
197.11732	100.0
198.12045	1.3
199.20932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2428
Annotation	oscr#21
Peak:m/z	Relative Intensity
53.03957	4.7
55.01855	4.3
55.05508	23.9
57.07071	6.2
67.05167	5.0
67.05506	76.9
69.03440	3.8
69.07067	34.7
71.04992	4.1
71.61618	5.8
79.05488	26.2
81.07057	100.0
83.04984	4.3
83.08610	20.1
83.54860	3.2
91.05480	22.0
93.07044	36.9
95.04967	7.4
95.08033	6.5
95.08607	89.8
97.06519	12.5
97.10159	10.9
98.97607	4.6
99.08115	3.0
105.07034	11.1
107.04877	3.0
107.08607	30.5
109.10163	44.7
111.11697	5.7
113.01943	3.5
117.07014	7.8
119.08596	19.8
121.10154	28.4
123.08067	6.0
123.11703	12.1
125.09634	4.1
130.15353	3.7
131.08559	11.1
133.10139	16.0
135.11691	25.0
137.05952	4.6
137.13213	7.9
145.10141	8.0
147.11708	15.9
149.13263	10.9
151.14792	3.8
159.11638	7.9
161.09579	5.3
161.13219	10.4
163.14803	5.9
175.14851	4.4
187.14844	5.2
201.16341	4.4
209.15469	4.2
211.87373	3.1
219.01704	4.0
223.16948	4.5
243.21136	10.8
261.22098	27.0
279.23203	22.0
294.07068	4.7
323.22250	45.7
329.17505	3.4
341.23416	16.0
359.18201	8.0
359.22171	7.8
359.26297	6.3
364.57263	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.53263	0.6
55.01863	0.8
55.05500	1.6
57.03424	0.7
61.02913	1.9
67.05502	3.4
69.03414	3.6
69.07076	1.7
69.61463	2.2
69.61876	2.4
71.04974	1.1
73.02908	1.8
79.05493	4.0
81.03397	2.2
81.07057	6.7
83.04994	1.4
83.08614	0.8
85.02904	10.7
85.06516	2.1
86.09694	2.7
87.04469	0.9
91.05502	5.2
93.07050	9.9
95.04965	1.8
95.08614	4.4
97.02882	2.4
97.06517	1.6
99.04449	2.0
105.07036	9.3
107.04958	1.0
107.08595	34.2
109.02869	1.9
109.06504	1.7
109.10149	3.8
119.04948	1.0
119.08583	5.3
121.06487	1.7
121.10151	7.1
123.08091	0.9
123.11707	2.0
124.07564	0.7
125.09598	1.0
127.03922	1.5
131.08571	2.7
133.10139	20.4
135.08015	1.1
135.11708	1.7
137.05934	3.7
137.09605	1.3
139.07503	0.9
143.08537	1.8
143.11743	1.0
145.04968	1.5
145.10115	1.2
146.07277	0.7
147.04430	0.8
147.11673	1.0
149.05942	1.0
149.09590	5.6
149.13226	0.8
151.03943	1.7
151.07550	1.7
151.11180	8.5
161.09651	5.3
161.13155	0.8
163.11125	1.0
167.07057	1.5
167.10678	16.1
175.07582	1.1
179.07170	0.8
179.10660	17.5
197.11736	100.0
227.16185	0.8
269.22687	1.3
305.24924	1.1
313.10651	0.9
323.25912	1.2
341.14081	0.8
369.06360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53263	0.6
55.01863	0.8
55.05500	1.6
57.03424	0.7
61.02913	1.9
67.05502	3.4
69.03414	3.6
69.07076	1.7
69.61463	2.2
69.61876	2.4
71.04974	1.1
73.02908	1.8
79.05493	4.0
81.03397	2.2
81.07057	6.7
83.04994	1.4
83.08614	0.8
85.02904	10.7
85.06516	2.1
86.09694	2.7
87.04469	0.9
91.05502	5.2
93.07050	9.9
95.04965	1.8
95.08614	4.4
97.02882	2.4
97.06517	1.6
99.04449	2.0
105.07036	9.3
107.04958	1.0
107.08595	34.2
109.02869	1.9
109.06504	1.7
109.10149	3.8
119.04948	1.0
119.08583	5.3
121.06487	1.7
121.10151	7.1
123.08091	0.9
123.11707	2.0
124.07564	0.7
125.09598	1.0
127.03922	1.5
131.08571	2.7
133.10139	20.4
135.08015	1.1
135.11708	1.7
137.05934	3.7
137.09605	1.3
139.07503	0.9
143.08537	1.8
143.11743	1.0
145.04968	1.5
145.10115	1.2
146.07277	0.7
147.04430	0.8
147.11673	1.0
149.05942	1.0
149.09590	5.6
149.13226	0.8
151.03943	1.7
151.07550	1.7
151.11180	8.5
161.09651	5.3
161.13155	0.8
163.11125	1.0
167.07057	1.5
167.10678	16.1
175.07582	1.1
179.07170	0.8
179.10660	17.5
197.11736	100.0
227.16185	0.8
269.22687	1.3
305.24924	1.1
313.10651	0.9
323.25912	1.2
341.14081	0.8
369.06360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01868	2.2
57.03426	4.4
59.04979	1.9
61.02936	6.1
67.05509	1.5
69.03429	11.0
69.78278	5.5
69.78680	2.9
71.05028	2.1
72.08137	2.6
73.02904	1.7
79.05481	3.6
80.34325	1.3
81.03402	4.8
81.07053	3.9
85.02415	2.3
85.02905	32.9
86.09687	3.4
87.04476	2.2
91.03952	2.3
91.05492	6.3
93.06516	1.2
93.07032	7.3
95.04958	2.9
95.08595	3.7
97.02895	12.9
99.04450	2.6
105.07034	9.2
107.08593	58.5
109.02879	3.5
109.06506	2.0
109.10153	11.1
119.08562	3.6
121.06501	3.5
121.10117	2.1
125.05978	1.5
127.03942	7.5
133.10133	25.3
135.11684	8.9
137.05974	2.5
137.09608	7.7
141.98444	1.4
145.04970	6.4
151.07509	2.0
151.11147	4.0
161.09631	8.6
167.10602	1.5
179.10675	22.2
197.11736	100.0
242.49513	1.3
273.93726	1.3
333.47195	1.8
359.16718	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01877	0.6
55.64950	0.5
57.03423	1.9
61.02911	1.6
67.05471	0.6
69.03097	0.7
69.03427	5.6
69.38005	3.6
69.38422	1.3
71.04967	1.0
72.08138	1.0
73.02895	1.8
79.05454	0.6
81.03381	1.9
81.07026	0.8
85.02901	6.7
86.09667	1.6
86.45227	0.7
87.04458	1.6
91.05440	0.6
92.05013	1.4
93.05785	1.2
94.06557	1.1
95.04946	1.0
97.02880	3.6
98.97570	0.7
101.32063	0.6
105.07035	0.8
107.08572	0.9
108.04411	0.8
109.02866	1.2
110.06010	1.8
119.06065	20.3
120.04423	0.7
121.07603	1.1
121.10168	0.7
122.06023	1.3
123.04397	0.6
123.06797	2.5
127.03905	1.3
133.02818	2.6
135.05513	0.7
136.06319	0.6
137.05956	1.8
137.07066	5.3
139.11165	0.7
147.05540	16.3
147.23592	0.6
148.03949	5.1
148.06310	50.9
149.04601	1.6
149.07095	68.8
150.05489	2.3
151.03871	0.8
151.08649	1.1
163.70122	0.6
164.05751	1.5
165.06595	49.1
166.07370	8.2
176.03284	0.5
179.08162	48.3
183.11243	0.9
192.03545	0.8
197.09218	42.5
197.80875	0.6
203.07523	1.4
207.07637	1.4
215.78499	0.6
217.87926	0.6
233.01347	0.6
237.64072	0.6
239.02054	0.7
269.83560	0.6
338.08246	0.6
359.14368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01869	1.2
65.03942	7.2
67.05489	4.3
69.03423	3.9
69.07049	4.5
71.61392	1.6
79.05498	3.3
81.03420	1.5
81.07054	3.0
85.02898	3.2
85.06525	2.0
91.05505	5.9
93.03396	2.1
93.07058	1.8
95.04984	1.9
95.08588	3.7
95.17267	1.3
103.05457	1.6
105.07014	4.0
107.04978	6.1
107.08562	3.3
109.06551	2.0
109.10130	2.6
110.03654	6.0
111.04445	4.4
115.05458	1.4
117.07006	1.7
121.02872	19.1
121.03951	1.9
121.06483	2.1
123.04408	2.0
125.05975	6.7
127.03967	1.5
129.06949	1.7
131.04916	2.8
131.08557	1.4
135.08052	4.2
137.05981	11.1
140.00117	1.3
141.07011	1.3
144.05713	3.7
145.06444	3.7
147.08080	1.6
149.02341	6.7
151.03860	2.4
152.06203	2.6
153.05470	8.0
153.06866	2.5
159.08029	8.1
161.05954	4.9
161.09616	4.4
162.06764	3.3
163.07484	1.8
165.06956	8.6
166.07764	1.6
167.07010	4.9
167.08588	5.8
168.05617	1.8
169.06474	3.0
173.06064	1.5
175.07451	1.5
177.07108	2.2
178.07777	3.7
179.07195	1.6
179.08586	4.2
181.05000	26.7
181.06471	5.9
182.07240	5.2
183.08099	2.8
184.08829	1.6
186.10161	1.3
187.07579	2.4
189.06975	1.4
190.07767	1.9
191.08633	2.3
193.06404	1.5
193.10136	2.7
194.07228	6.2
195.08049	14.3
196.08846	1.7
197.05971	6.9
197.09648	5.9
198.06770	2.0
199.07631	1.5
203.08597	3.0
205.06474	4.2
205.08490	1.7
206.07321	4.8
207.08084	4.7
209.06000	5.4
209.09581	4.7
210.06792	11.0
210.10318	2.0
211.07501	10.8
212.04778	1.4
212.08339	7.9
213.09081	3.2
219.08012	4.0
220.08850	1.7
221.06052	2.8
221.09590	12.3
222.06775	4.1
222.10457	3.0
223.07571	16.2
223.11061	2.7
224.08299	6.5
225.05519	3.9
225.09058	11.2
226.06236	1.7
226.09903	1.9
227.07109	7.6
227.10634	3.9
234.06729	2.4
235.07555	4.0
236.08372	2.2
237.05444	2.4
237.09041	10.3
238.06259	9.1
238.09892	10.0
239.07018	12.2
239.10660	3.8
240.05394	1.7
240.07822	28.9
241.08578	4.7
242.05902	2.1
242.09474	1.7
248.08345	1.8
249.09126	7.9
250.06142	1.4
250.09984	2.2
251.07100	9.9
251.10739	1.5
252.07794	9.0
253.08583	49.2
253.12204	14.8
254.05800	1.9
254.09357	8.1
255.06505	8.0
255.10178	12.7
256.07407	2.3
257.08151	7.4
265.08618	7.9
266.09393	10.4
267.06522	3.4
267.10132	9.0
268.07333	9.2
269.08078	18.8
270.08856	4.4
271.09918	1.8
271.13168	2.0
277.08640	1.8
279.06729	1.5
279.10165	2.2
280.07376	1.4
281.08105	15.1
281.11731	17.0
282.08853	3.7
283.06033	3.9
283.09634	21.8
284.10416	7.9
285.07477	3.4
285.11182	3.8
285.14575	2.2
294.08679	1.4
295.09546	4.2
297.07587	7.3
297.11227	3.8
298.08334	9.4
298.11954	5.6
299.12750	19.6
300.09967	18.7
303.16046	1.6
309.11169	13.2
310.12006	4.0
311.12912	1.9
313.10669	81.6
313.14340	55.1
326.11465	7.4
327.12277	82.7
328.12924	4.7
331.15402	20.6
331.40491	1.2
341.13837	43.7
359.14862	100.0
359.22296	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	358.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72740	0.3
55.05498	0.5
57.07081	6.4
58.06589	0.9
62.06083	0.4
69.48453	2.0
69.48867	0.5
70.06595	13.6
71.08641	2.4
85.10170	1.4
88.07634	14.4
93.07043	0.3
98.20771	0.6
102.09187	4.2
106.08666	9.4
130.20830	0.4
314.34271	0.9
340.35727	6.3
358.36789	100.0
359.37036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1336
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
50.13223	2.8
53.24942	2.4
55.01854	2.5
56.96563	5.2
57.32244	2.6
61.02906	3.8
65.03929	2.7
69.03415	10.6
70.06627	2.6
70.81278	2.7
71.05001	4.3
71.60656	2.8
71.61053	4.2
72.08148	6.6
73.02921	2.8
77.03947	3.4
79.05483	7.7
80.20647	2.7
81.03391	2.9
81.07047	6.1
83.04974	2.9
84.04506	3.7
85.02904	28.8
86.09724	7.6
90.35539	2.7
91.03941	2.5
91.05460	32.8
94.04208	5.4
95.04958	7.5
97.02890	11.1
98.97566	11.5
105.03384	10.8
107.04961	8.1
109.06515	21.7
116.98588	3.8
119.04938	14.2
119.06082	8.8
122.03691	6.1
122.65586	2.6
123.98415	2.6
127.03913	4.7
130.05020	2.9
133.02853	77.2
135.04428	9.0
137.05969	59.4
145.04973	4.1
146.44295	2.8
147.04364	6.0
147.05486	5.5
147.07680	4.0
149.07091	4.6
161.05923	2.6
163.03905	18.8
165.05461	79.4
165.06618	6.8
167.07060	9.5
172.95340	3.0
176.60757	2.7
178.03362	2.6
182.05769	7.5
196.04292	3.6
197.04587	6.8
197.06239	5.0
197.08075	100.0
219.01736	3.2
223.13228	2.6
237.02917	4.1
310.33673	2.5
359.13181	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.4
57.07074	36.1
58.35714	2.6
63.00404	2.9
65.45401	3.0
67.05490	6.6
69.06739	3.7
69.07063	29.1
69.83516	5.7
69.83878	16.6
70.06579	11.2
70.69901	2.9
71.08631	20.9
79.05481	4.3
81.07053	21.9
83.08609	21.7
85.06499	5.2
85.10162	11.7
87.04392	3.7
88.07629	13.4
91.05460	8.3
93.07044	8.9
95.08610	21.3
97.10182	19.2
98.21403	3.3
101.01869	3.2
102.09177	3.6
105.07019	11.7
106.08645	8.4
107.08585	8.4
109.10133	10.5
111.11696	12.2
119.08594	7.1
121.10133	7.3
123.08111	3.7
123.11685	5.3
125.13242	6.8
133.10126	10.8
135.11691	4.1
137.09604	3.6
137.13174	3.5
147.11696	8.6
153.16498	2.9
155.12445	2.7
161.13229	9.9
165.12750	6.6
167.14246	3.3
179.14313	7.1
183.13794	8.1
193.15843	3.8
197.15335	7.3
211.16817	5.0
263.27222	3.7
274.54501	2.9
279.43695	3.0
287.27426	3.3
305.28452	9.1
340.35651	6.7
358.32840	3.7
358.36777	100.0
359.25510	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	358.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
56.96554	4.5
57.03440	31.8
57.76514	2.8
61.02932	14.7
69.03436	32.6
69.72276	16.4
71.01333	5.1
71.04964	3.2
73.02918	62.2
81.03401	4.7
85.02907	100.0
87.04459	4.5
91.03934	7.8
93.25191	2.7
97.02898	47.9
98.97561	10.8
99.04463	4.4
107.04967	3.4
109.02874	8.1
110.06087	3.4
115.03931	30.9
116.98579	3.7
127.03210	2.8
127.03937	30.4
128.98555	3.9
133.04947	10.2
135.04382	2.8
145.04962	60.2
150.07664	4.1
154.94151	3.2
158.99721	2.6
163.03897	8.2
163.05988	22.9
163.67265	2.9
172.95186	3.6
177.00671	3.6
177.45148	2.6
186.04407	3.7
189.00667	3.0
196.09624	6.2
201.00687	2.7
209.10175	6.8
219.01700	4.8
227.06802	2.8
237.02794	4.5
295.10114	3.7
309.68500	2.6
316.98932	3.1
358.14935	5.9
359.13116	4.2
382.80084	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	2.3
55.05259	2.6
55.05511	37.9
57.03434	5.5
57.07076	23.1
57.14379	1.7
57.70963	1.9
67.05170	2.4
67.05510	41.5
69.07070	56.0
70.06586	8.8
70.07410	2.1
71.04984	4.0
71.08640	13.8
71.61363	2.1
71.61756	2.7
76.79720	1.9
79.05490	31.1
81.07060	46.9
83.04987	3.4
83.08136	2.2
83.08620	33.7
85.06513	1.9
85.10165	7.1
86.15842	1.8
88.07635	11.5
91.05469	6.2
93.07045	33.6
95.08612	47.0
97.06542	15.8
97.09610	2.5
97.10175	22.6
99.11852	2.1
102.09190	3.8
105.07033	5.1
106.08670	6.1
107.08582	27.7
109.10152	23.2
111.08100	6.4
111.11720	8.9
119.08564	5.1
121.10149	46.8
123.11701	8.3
125.09590	5.9
131.08586	2.6
133.10088	4.0
133.88603	1.9
135.11690	38.5
137.13237	4.5
139.11217	3.4
145.10068	3.1
149.13260	16.1
151.14807	2.3
157.10141	2.1
159.11749	2.0
163.14783	9.1
165.16434	4.8
177.16345	3.9
181.15762	2.2
188.93452	2.1
191.18163	2.1
199.16974	2.1
203.78914	1.9
209.19133	2.6
241.16112	2.1
247.24260	43.2
265.25235	34.7
339.28940	24.7
339.34543	4.0
357.20468	2.7
357.26071	28.0
357.35559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2633
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.05510	30.4
57.07063	13.2
60.19637	4.2
61.20396	3.7
67.05164	5.3
67.05504	61.0
69.03423	4.3
69.07077	35.6
69.30840	31.5
69.31258	8.4
71.04994	4.7
71.08617	6.4
74.97121	3.8
79.05497	44.1
81.07060	100.0
83.04980	5.5
83.08610	30.3
85.06524	8.2
91.05479	25.8
93.07048	58.7
95.04977	5.5
95.08617	91.9
96.08915	5.2
97.06520	8.6
97.10175	22.5
105.06996	20.0
107.04952	4.8
107.08593	43.0
109.06519	9.1
109.10159	41.8
109.68887	3.6
111.08105	4.0
111.11714	7.1
117.07011	9.5
119.08562	23.7
121.06473	4.2
121.10136	51.3
123.08060	4.9
123.11712	20.4
125.09629	9.4
131.08594	22.7
133.10120	18.5
135.08073	9.6
135.11682	29.8
137.13219	11.2
139.07497	4.6
143.08601	4.4
145.10107	11.8
147.11644	13.0
149.09607	5.7
149.13239	17.3
151.11116	7.2
151.14781	6.9
153.12715	3.7
157.10098	4.9
159.11656	11.8
161.13231	8.3
163.11200	4.6
163.14842	8.1
169.10254	4.5
173.32637	3.8
175.14835	6.1
177.16403	6.2
189.11195	7.2
191.18004	5.7
215.18170	4.3
223.16920	5.1
233.22659	15.5
275.23639	5.5
285.22223	4.4
287.82986	4.1
293.24811	14.7
296.29532	6.7
303.23215	19.8
321.24362	7.9
339.25473	21.1
357.20401	7.5
357.26556	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.07051	0.7
69.88580	1.0
69.88985	1.4
73.02904	0.4
79.00389	0.4
81.03378	0.5
85.02918	1.1
91.05460	0.5
97.02863	0.7
98.97578	1.5
109.06464	0.4
119.08549	0.9
120.21481	0.5
120.95739	0.5
131.04938	0.4
133.06392	0.6
136.57446	0.4
137.05959	1.1
142.43842	0.4
147.04433	0.6
151.76285	0.4
154.63493	0.4
161.05963	0.8
162.15378	0.4
167.07014	1.3
195.10022	1.5
195.54675	0.5
203.05267	0.6
209.08089	0.6
212.03188	0.5
218.65955	0.4
251.06924	0.9
265.08542	0.7
283.09433	0.7
290.60349	0.5
310.90634	0.5
311.09146	0.5
325.10672	0.5
357.15189	100.0
358.15598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.7
57.07078	53.5
65.36434	4.7
67.05513	9.6
69.07082	33.4
71.08637	46.3
71.22601	12.6
79.05489	12.7
80.88370	5.2
81.07056	54.4
83.08616	18.8
85.10186	21.2
93.07051	31.0
95.08585	30.8
97.06573	7.8
97.10159	9.8
105.07029	15.7
105.25574	5.2
107.08597	30.5
109.06540	13.5
109.10150	14.3
111.11701	12.3
121.10126	9.5
123.08081	13.7
131.08583	9.5
133.10043	5.3
135.08008	7.4
135.11719	13.6
137.09590	7.1
139.07573	11.7
145.10178	7.7
149.09644	7.2
159.11726	10.0
163.11243	6.1
165.12865	5.7
177.12811	8.1
195.13712	6.0
201.34038	5.9
275.27274	8.3
293.28348	45.7
303.26837	8.5
321.27905	100.0
339.28958	89.1
356.28488	9.2
356.34888	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.37418	2.1
53.03936	3.5
55.01655	2.2
55.01871	26.9
56.81188	2.0
56.83446	2.0
57.86203	2.2
65.03929	8.7
67.05511	16.2
69.07055	3.0
69.33435	4.5
69.33839	16.0
71.64446	1.8
77.03926	3.1
78.22390	2.3
79.05483	7.1
81.07058	11.6
81.07463	1.9
83.04987	4.1
85.02862	3.1
89.03927	2.8
91.05477	19.9
93.03394	6.2
93.07018	6.4
94.04188	6.5
95.04977	10.4
95.08598	6.7
98.21436	4.1
101.78185	2.1
103.05447	9.1
105.07014	7.8
107.04939	4.2
107.08577	7.5
109.06499	7.3
109.10154	26.3
111.04441	8.9
115.05450	12.2
117.03361	3.4
119.04931	5.7
119.08572	4.4
121.06487	6.4
121.10163	3.8
122.03651	11.8
125.05973	6.5
129.07014	4.6
130.62195	2.6
131.04919	10.0
132.05666	2.6
133.06447	6.2
134.03600	2.9
135.04395	3.1
137.05986	100.0
137.08621	4.2
137.09601	45.2
143.04897	9.6
144.05658	6.6
145.02870	3.4
145.06468	7.8
146.03600	5.0
147.04388	8.8
147.08031	4.0
147.11659	2.8
149.06052	10.1
151.03877	4.8
153.05464	8.5
155.04913	11.9
155.10657	5.0
156.13713	2.0
159.08052	2.6
160.05182	7.5
161.05991	20.3
165.05473	10.1
165.06970	3.8
165.09100	33.4
167.07076	3.1
171.04425	8.4
172.05190	10.8
173.06013	7.5
175.07574	16.9
177.05484	32.4
177.06880	4.0
178.07724	6.2
179.07042	4.0
179.08472	4.1
181.06456	3.7
183.04393	8.6
183.10115	3.8
185.05984	20.6
187.07608	5.9
188.04776	3.4
189.07010	6.7
190.07759	6.9
191.07047	5.0
191.08556	9.8
194.07269	4.8
200.04649	10.0
201.11253	4.8
202.40044	2.0
203.07028	69.3
203.08388	2.7
205.06531	4.0
205.08434	2.9
206.07298	5.6
207.08023	6.9
215.07031	41.2
217.06456	5.2
218.07274	11.3
219.08092	13.3
221.05853	6.6
222.06760	3.4
223.07532	4.8
229.06433	3.4
233.08090	3.5
234.06807	12.1
235.07533	12.6
236.08272	5.4
237.09088	2.7
239.06961	2.8
245.05923	5.2
246.06659	7.7
247.07671	15.8
249.05379	3.0
249.09178	16.8
250.10182	3.0
251.06978	7.0
251.10667	4.8
252.07671	3.3
253.08495	4.5
261.09100	8.2
262.06155	4.8
263.07001	11.3
264.07797	10.3
265.08557	5.5
266.09366	2.5
267.10260	6.9
269.08249	2.5
274.06293	4.5
275.07010	7.8
276.07739	2.8
277.08600	30.9
278.09311	4.8
279.06735	2.9
279.10138	10.2
280.07346	3.4
280.10797	2.4
283.09659	2.5
289.08511	11.0
293.08167	4.8
294.08923	12.9
295.09604	6.0
297.11313	2.6
299.12921	2.5
307.09705	20.6
309.11224	30.3
313.10706	3.5
321.11121	10.9
325.10577	3.9
327.12289	28.6
339.12085	7.2
357.13257	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.23120	1.9
50.38116	2.0
55.05513	32.0
56.96561	3.2
57.03443	12.2
57.07079	12.6
65.03931	2.4
67.05505	66.6
69.03421	2.1
69.06721	2.5
69.07071	44.5
71.04989	3.7
71.08625	4.6
75.92746	2.1
79.05115	2.1
79.05497	23.6
81.06572	4.9
81.07058	100.0
83.04947	2.7
83.08620	29.2
85.06524	2.6
88.07629	3.7
91.05460	17.0
93.07050	29.3
95.04987	3.6
95.08045	3.8
95.08613	68.8
95.38663	2.1
97.06519	13.1
97.10170	19.3
98.21503	4.6
105.07053	17.0
107.08594	20.7
109.06521	2.1
109.10158	39.0
111.08070	3.8
111.11713	6.1
117.06993	3.3
119.08593	18.4
121.10155	28.0
123.11716	19.6
125.09650	3.8
132.75342	2.0
133.10150	19.2
135.11696	16.1
137.09586	2.4
137.13246	6.2
143.08578	2.2
145.10103	5.1
147.11674	15.4
149.13264	16.4
151.14807	3.8
154.89360	2.4
157.10045	2.4
159.11665	3.2
160.10445	2.4
161.13289	14.2
163.14828	10.9
165.12692	3.4
165.16359	3.0
175.14841	8.9
177.16397	3.3
179.17923	4.9
189.16411	5.1
245.22641	33.8
263.23724	30.3
309.24634	2.3
333.17014	2.6
337.27451	21.5
355.28436	13.3
355.33917	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91060	3.8
55.05511	14.1
57.07076	10.2
58.66275	3.7
59.05002	7.0
59.11971	3.7
67.05495	22.4
69.07071	35.1
70.97745	8.6
70.98123	8.9
71.08640	6.6
77.83434	3.5
79.05502	19.3
81.07061	100.0
83.04995	4.9
83.08624	7.6
85.06570	10.1
91.05486	10.2
93.07031	39.6
95.08608	73.4
97.06530	12.8
99.04462	7.1
104.58434	4.5
105.07040	24.3
107.08601	39.8
109.10155	45.1
111.11748	5.6
119.08568	20.5
121.10142	31.3
123.08073	4.0
123.11701	26.1
125.02342	3.6
125.85048	3.9
127.07554	9.0
128.92508	3.7
131.08565	6.4
133.10172	22.7
135.08063	5.4
135.11705	24.0
137.05991	5.2
137.09650	4.7
137.13257	34.9
145.10138	6.5
147.11700	28.9
149.13281	17.4
151.11192	17.3
151.94640	4.5
159.11635	7.3
161.13339	6.0
163.03893	6.4
163.14891	6.0
165.12778	17.3
175.11179	9.7
177.12692	7.9
181.12283	5.0
193.12270	28.7
195.13872	11.2
199.07751	4.9
209.15356	6.8
233.68271	4.3
301.25345	5.2
319.26361	43.0
337.27502	9.6
355.15469	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01870	2.6
55.05507	19.8
56.96548	4.9
57.07060	9.3
67.05506	27.6
69.03414	4.0
69.07069	40.3
71.08607	3.2
71.61694	4.7
73.04776	2.3
79.05493	22.4
81.03415	3.9
81.07057	100.0
83.04975	4.0
83.08615	17.6
85.02905	3.0
85.06537	15.2
91.05469	9.0
93.06533	3.2
93.07044	32.1
95.04961	6.0
95.08608	88.9
96.04416	2.3
97.02888	2.7
97.06531	19.8
97.10163	6.4
98.97590	29.1
101.06010	2.7
105.07044	15.4
107.04995	2.2
107.08590	32.1
109.06486	6.9
109.09438	4.4
109.10153	65.2
110.97571	3.1
111.08020	4.3
111.11718	5.6
115.07572	2.8
116.98613	7.3
119.08591	13.9
121.06528	4.9
121.10136	32.4
123.08091	2.7
123.11708	34.6
127.07529	2.5
128.06287	2.2
131.08588	2.9
133.10133	14.5
135.04396	8.3
135.08067	4.0
135.11700	29.3
137.05960	4.1
137.09607	8.4
137.13255	36.6
139.11058	2.6
145.02841	4.4
145.10107	6.8
147.11662	9.5
149.05945	4.1
149.09616	3.7
149.13304	21.2
151.07483	3.1
151.11162	4.5
151.14819	5.0
158.99625	14.0
159.11754	6.0
161.06024	2.7
161.13206	3.6
163.03928	35.8
163.11116	5.3
163.14778	8.2
165.09090	3.7
165.12692	3.1
165.16319	2.5
167.10638	3.1
170.99687	2.9
171.11661	3.9
173.13203	4.4
175.11070	3.8
177.00684	8.1
177.12740	4.5
177.16353	5.3
181.12227	9.8
191.14264	2.7
191.17918	3.7
193.08449	3.3
193.12160	3.2
193.15839	3.1
195.13800	9.0
203.10657	2.5
205.19492	8.6
209.15369	5.6
223.16743	2.3
227.17963	2.9
233.06105	2.3
241.08513	3.3
250.15068	7.1
256.15005	6.3
259.24203	2.3
263.20096	5.8
265.15656	13.6
265.65897	2.4
273.65530	3.9
274.16034	5.2
274.66119	2.3
283.24332	3.0
301.25110	3.2
313.03476	2.8
319.26328	43.7
323.09225	4.4
337.10672	2.6
337.27426	11.4
355.08234	5.3
355.11670	9.9
355.15533	10.8
355.26535	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40147	1.7
53.03945	4.1
55.01873	4.8
55.05509	18.8
56.96566	7.1
57.03437	2.2
57.07078	8.2
58.24634	1.6
59.05006	2.3
59.08353	1.4
67.05510	40.6
69.03426	4.9
69.07066	39.8
71.04990	4.0
71.08628	4.0
71.61861	2.2
73.04744	1.9
79.05491	26.9
81.03410	2.0
81.07059	100.0
81.43810	1.9
82.07390	2.0
83.04982	6.2
83.08611	16.4
85.02908	5.1
85.06538	19.1
91.05445	13.2
93.07039	41.1
95.04969	6.4
95.08609	90.5
97.02916	3.6
97.06530	14.4
97.10175	9.0
98.97581	27.9
99.04483	3.6
99.08116	3.9
103.05392	1.8
105.07021	17.3
107.04944	3.5
107.08595	42.6
109.06527	7.2
109.10155	76.6
110.97598	2.3
111.08017	2.0
111.11702	2.5
116.98642	10.1
117.07054	2.3
119.08573	15.2
121.06526	5.3
121.10145	35.1
123.08038	4.4
123.11723	27.3
125.09624	3.2
127.07603	5.3
129.07042	3.5
131.08554	7.1
133.06490	2.5
133.10147	12.7
133.95676	1.6
134.99684	2.5
135.04404	4.0
135.08089	4.2
135.11687	26.2
137.05991	7.1
137.09637	5.3
137.13240	12.2
139.07538	2.6
141.09039	1.9
143.08542	2.5
145.06560	3.1
145.10159	9.1
147.08011	2.4
147.11716	10.1
149.09589	6.3
149.13283	21.3
151.03999	2.3
151.11201	4.5
151.14827	4.9
153.09129	4.5
155.08614	2.3
157.10107	4.1
158.99701	16.4
159.11711	5.8
161.06007	2.7
161.09663	2.2
161.13251	6.1
163.03947	14.0
163.07498	2.7
163.11208	2.5
163.14859	6.4
165.09053	3.3
165.12773	3.6
165.16470	3.0
167.07101	4.2
167.10669	3.6
171.11737	2.6
173.13269	5.1
175.11189	2.4
175.14856	6.2
177.00693	8.8
177.05562	2.1
177.09161	3.8
177.12767	4.7
177.16435	5.4
179.17937	2.0
181.12202	5.3
187.07564	2.2
187.14919	3.6
189.00604	2.2
189.16501	1.9
191.14093	2.0
191.17931	4.3
195.13840	7.2
195.43980	1.8
197.06062	2.0
201.09250	2.4
201.16431	2.4
203.14336	3.1
203.17999	2.8
205.06491	2.2
205.16020	2.8
205.19504	7.5
209.15331	3.1
213.09216	1.8
219.01758	3.1
223.20493	2.0
227.17979	2.4
233.18977	2.0
234.06862	1.9
235.07549	3.8
237.02881	2.8
241.14555	6.4
247.14737	1.7
249.18510	2.7
250.15077	4.9
256.15103	4.3
256.65344	1.9
261.65741	1.9
263.07071	2.1
263.20187	2.3
265.08334	2.0
265.15573	22.7
265.65851	3.9
267.10263	2.6
274.16162	5.3
283.24234	3.8
285.66818	3.0
286.17035	1.8
295.09921	4.3
301.25336	6.7
305.11725	2.3
311.12708	2.0
313.03403	2.4
319.26294	43.5
323.09161	3.1
323.12616	3.1
327.12314	3.4
337.27472	7.7
355.07916	4.2
355.11755	9.1
355.15683	7.8
355.24545	2.3
355.28662	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.6
56.96564	11.2
57.03423	10.8
57.07072	14.4
61.02918	5.5
67.05506	88.1
69.03439	4.0
69.07068	51.3
69.36542	34.6
71.08644	7.0
73.02922	3.8
79.05495	29.7
81.07056	100.0
83.08611	35.4
85.10203	3.9
91.05441	23.6
93.07043	40.5
95.04966	4.9
95.08041	6.3
95.08609	91.1
96.08843	3.9
97.06522	8.9
97.10166	21.5
103.03918	4.1
105.06994	18.3
107.08589	38.2
109.10150	47.7
109.24240	3.3
111.08075	8.3
111.11734	5.9
119.08604	26.5
121.06516	4.0
121.10143	38.8
123.11699	25.9
126.93398	3.7
129.06966	5.2
131.08600	5.3
133.10126	24.2
135.11702	24.7
137.09621	7.8
137.13234	8.8
141.12779	3.9
143.08597	4.0
145.10106	12.1
147.11661	11.2
149.13268	17.9
151.14755	5.6
159.11633	4.4
161.13271	16.0
163.14766	18.0
165.16367	7.0
167.38356	3.6
171.11656	4.4
173.13281	4.5
175.14827	13.6
177.16306	4.6
179.18016	5.1
189.16283	3.9
199.06372	6.5
229.07491	25.1
230.07820	8.7
245.22665	30.8
247.08597	13.0
263.23703	37.5
337.27820	17.2
355.22430	4.9
355.26486	12.9
355.33740	6.9
356.35184	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05503	6.2
57.07066	5.0
63.77096	1.8
64.17190	2.0
67.05504	17.5
69.07057	11.1
69.48121	15.3
71.08611	2.4
79.05492	8.0
81.07062	17.5
83.08608	6.0
91.05460	4.3
93.07027	6.0
95.08614	18.4
97.10160	3.3
105.07038	3.5
107.08589	7.1
109.10136	7.8
111.08162	2.3
114.36935	1.9
116.85760	1.9
119.08562	4.5
120.75102	2.0
121.10137	6.6
123.11706	6.7
133.10127	4.4
135.11716	4.1
147.11696	3.0
149.13258	3.2
159.11743	2.5
161.13327	3.9
163.14752	3.0
175.14844	3.0
184.85498	2.0
189.16306	3.1
245.22716	7.9
263.23749	8.6
299.47382	1.9
314.43655	1.9
319.24402	2.0
337.27393	4.1
355.28217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04707	8.2
55.01863	25.1
55.05516	64.9
56.96544	11.0
57.03421	12.2
57.07091	8.6
65.03990	7.2
67.05502	65.8
69.03420	8.3
69.07060	58.2
71.04991	21.1
71.26490	7.3
71.60526	8.0
73.04740	11.3
79.05486	78.9
81.07059	88.0
83.08598	37.0
85.02892	18.0
91.05473	33.6
93.07040	86.8
94.63269	9.2
95.04964	19.1
95.08624	62.8
95.20878	7.6
97.02858	9.1
97.06536	68.7
97.10138	27.4
97.17413	8.3
99.04469	11.1
105.07026	45.1
107.04945	28.1
107.08590	100.0
109.02905	8.9
109.06528	15.8
109.10186	43.0
110.30272	7.6
111.04438	15.0
111.08057	14.7
117.07024	43.9
119.08582	49.3
121.06515	23.5
121.10141	60.4
123.11686	15.7
125.05979	30.6
125.09669	41.2
131.08572	22.5
133.10117	23.3
135.08063	65.6
135.11687	26.3
139.07578	13.8
139.11208	9.6
143.07007	20.5
143.08612	8.3
145.06462	11.4
145.10176	20.6
147.11754	18.2
149.05908	8.6
149.09584	26.0
149.13290	13.9
153.09131	72.7
155.08577	10.2
157.10117	14.6
158.07361	8.1
159.11703	16.7
161.08168	8.7
161.13269	19.9
163.03882	15.0
163.07507	54.2
163.14900	8.7
167.10605	14.0
171.11742	11.7
173.13229	13.4
174.51857	7.7
177.08963	13.9
179.14131	10.8
181.08578	38.0
185.11713	10.6
189.11266	17.9
199.09668	82.4
199.14885	12.6
201.09079	15.1
211.14899	9.0
213.16400	10.8
227.12770	29.5
237.28403	7.9
297.14795	17.3
309.25848	11.8
319.18982	15.8
337.20313	39.6
355.22327	14.2
355.26306	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	4.7
55.01865	5.0
55.05524	18.2
57.03440	5.1
57.07083	5.1
59.04993	7.2
61.02914	7.2
64.44118	3.1
67.05508	36.4
69.03429	34.8
69.07057	17.0
70.14561	15.7
71.01346	3.3
71.04987	8.2
73.02875	4.9
79.05482	20.3
81.03412	14.0
81.07064	37.3
83.04485	3.8
83.04979	58.2
83.08630	8.6
85.02909	32.9
90.24158	3.6
91.05427	17.3
93.07060	33.4
95.04963	54.4
95.08607	52.9
97.02883	15.5
97.06533	8.6
98.20849	3.6
98.97579	5.4
99.04446	8.4
100.03537	3.4
103.05475	3.4
105.07027	24.1
107.04967	5.1
107.08594	34.3
109.02850	5.8
109.06505	17.9
109.10154	55.3
111.04433	5.9
111.08074	4.8
111.51293	3.1
114.26142	3.8
115.05395	4.4
117.07012	7.8
119.08561	22.4
121.06490	14.3
121.10118	17.1
123.04444	8.0
123.08048	9.6
123.11684	6.2
125.01043	4.6
125.05984	5.6
125.09637	4.4
127.03891	12.9
131.08549	14.1
133.06506	4.7
133.10129	25.5
135.04353	4.7
135.08057	27.0
135.11716	19.1
137.05997	7.7
137.09612	100.0
139.07521	5.2
141.05431	3.5
145.10167	12.6
147.08092	4.5
147.11688	8.0
149.05971	12.2
149.09602	9.8
150.05508	7.1
151.07532	8.4
151.11148	8.4
155.10689	7.3
157.10146	6.0
159.08066	4.1
159.11685	5.6
161.09599	8.7
163.03879	12.5
163.07558	6.2
165.09175	5.7
165.16423	3.8
167.16939	4.4
171.11810	4.0
173.13287	6.9
175.14897	10.3
177.09079	9.6
179.10616	19.2
191.14365	10.5
193.15880	31.0
201.09053	7.7
203.10774	4.3
209.15376	5.5
235.16893	10.1
245.11691	5.8
247.17252	3.6
277.18091	5.8
281.13797	5.5
299.15009	4.0
301.17944	7.5
319.19040	10.0
337.20044	9.4
355.17133	14.4
355.21185	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.48404	0.3
50.82241	0.3
52.54680	0.4
67.05502	0.5
69.03445	0.3
69.07059	0.5
71.61266	0.5
73.04744	0.4
73.12354	0.3
79.05494	0.6
81.03395	0.6
81.07057	0.9
85.02887	0.5
93.07021	0.6
95.04964	0.6
95.08611	0.6
97.43071	0.3
98.40646	0.3
105.07035	0.8
109.06467	0.4
109.10139	0.6
117.07047	0.4
119.08573	1.0
121.06542	0.5
133.06520	0.4
133.10120	0.4
137.05992	1.0
137.09656	0.4
147.11760	0.4
159.11545	0.3
161.05971	0.5
163.03964	1.0
165.09100	0.4
167.07036	0.4
169.30328	0.4
170.94046	0.3
175.07568	0.6
181.08604	0.4
193.12105	0.8
203.05290	2.2
219.34503	0.4
239.24947	0.4
249.09335	0.3
277.08685	0.8
305.11829	0.5
309.11200	0.7
311.12817	1.0
355.08502	2.1
355.17285	100.0
356.17679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.96563	0.3
67.05497	0.9
69.03426	0.8
69.07076	0.6
79.05486	0.7
81.03407	0.9
81.07053	1.3
83.04977	0.7
85.02901	0.7
85.06532	0.6
86.06083	0.8
91.05438	0.6
93.07051	1.5
95.04984	0.6
95.08598	0.5
97.06543	0.5
104.81404	0.3
105.07023	0.7
107.04954	0.7
107.08604	0.8
109.06528	0.5
109.10181	0.6
119.04971	0.5
119.08583	0.4
121.10184	0.9
123.11688	0.5
125.09663	0.4
131.08560	0.4
133.10094	0.8
135.04451	0.8
135.11717	0.4
137.06018	1.8
139.11160	0.5
145.02873	0.4
145.10193	0.4
148.80222	0.3
151.07458	0.4
163.03911	4.4
167.07024	1.1
173.13245	0.4
175.14871	0.5
177.09117	0.5
193.05045	1.3
196.45128	0.3
201.03699	0.3
203.05269	0.9
226.18039	1.3
252.07861	0.6
263.06946	0.4
263.10709	0.4
267.10178	0.5
272.17017	0.4
285.00684	0.4
323.09250	0.5
323.12613	0.5
327.12219	0.4
355.17285	100.0
356.17416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
58.85173	1.2
58.95711	1.1
69.73269	6.5
79.05452	1.2
89.03916	8.5
107.04948	2.2
117.03396	10.2
126.80705	1.0
130.54338	1.0
135.04431	18.0
141.92908	1.2
145.02840	13.5
145.86493	1.2
159.55359	1.2
163.03912	100.0
197.78679	1.4
258.04987	1.3
365.48053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05510	0.4
55.38821	0.4
64.48878	0.3
71.52517	0.8
79.05473	0.5
81.07056	0.4
107.08579	0.6
109.10139	0.6
111.04491	0.5
121.10127	0.5
123.24232	0.4
129.06956	0.4
135.11691	0.5
159.23210	0.4
163.03938	0.7
175.07492	0.5
182.15321	0.4
198.89963	0.4
201.03728	3.4
203.05309	1.3
210.14893	1.2
220.86536	0.4
337.21176	0.5
355.17282	100.0
356.17719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.04213	1.0
69.03426	1.2
71.04628	2.5
79.05496	1.3
85.40201	0.9
89.03905	7.7
91.05447	1.4
93.02792	1.0
98.97550	1.2
107.04974	1.3
111.04422	1.0
117.03379	9.9
119.04961	1.8
121.06534	1.3
122.06036	2.6
127.03961	1.0
135.04424	18.4
145.02840	15.3
147.04407	7.8
150.05510	2.0
158.47565	1.1
163.03909	100.0
170.08156	1.8
193.04985	6.6
203.07593	1.4
217.51907	1.1
320.11322	1.7
355.13721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.29134	0.7
70.93349	1.0
77.93405	0.8
79.05489	1.0
89.03921	8.1
95.46201	0.7
101.15359	0.8
107.04956	1.6
116.48988	0.7
117.03384	10.0
125.33269	0.8
135.04424	18.0
145.02856	13.4
163.03911	100.0
208.36835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05510	18.0
57.07071	7.0
59.05005	3.0
65.03941	3.2
66.92005	2.1
67.05508	25.0
69.03443	9.7
69.07072	28.5
71.03662	2.0
71.04996	13.7
71.61706	2.5
76.45791	1.8
79.05495	23.6
81.03396	3.2
81.07058	100.0
82.07368	2.5
83.04986	4.4
83.08611	11.0
85.02908	3.6
85.06542	11.8
91.05490	18.8
93.07047	45.9
95.04972	8.3
95.08606	69.3
97.02869	2.0
97.06524	10.7
97.10175	4.3
98.97577	4.6
99.04448	7.1
99.08082	4.5
103.05493	3.2
105.07024	28.9
107.04974	4.2
107.08593	52.0
107.92056	1.9
109.06489	16.4
109.10152	37.5
111.04427	2.0
111.08112	5.5
111.11760	2.2
117.07049	5.0
119.08586	25.9
121.06497	5.4
121.10149	35.3
123.08051	11.8
123.10888	4.0
123.11705	33.2
125.09636	5.7
127.07543	6.7
127.11178	4.8
129.07039	3.2
131.04996	2.1
131.08559	8.1
133.06458	2.0
133.10129	28.4
135.08081	5.0
135.11694	38.1
137.05972	4.1
137.09605	6.5
137.13252	37.5
139.07564	5.2
139.11188	4.3
141.12764	5.2
143.08569	4.8
145.10139	16.4
147.08063	3.1
147.11673	28.4
149.09631	6.3
149.13251	17.3
151.11166	22.6
153.09140	2.8
153.12732	8.0
157.10158	10.5
159.11713	16.7
159.21939	2.3
161.06053	2.5
161.13274	8.2
162.12822	2.1
163.11217	8.9
163.14795	5.0
165.12730	11.9
167.07042	4.6
167.10637	4.4
169.10229	2.5
171.11717	7.1
171.91861	2.5
173.13246	8.5
175.11185	5.8
175.14819	4.6
177.09167	2.1
177.12758	14.7
177.16405	3.4
179.08600	2.8
179.10703	5.9
181.12227	4.0
183.13875	2.8
185.13271	4.8
187.14862	3.4
189.12733	4.1
189.16486	3.6
190.07759	2.9
191.07033	6.8
191.18010	2.6
193.12250	4.0
195.13860	3.8
197.18976	4.4
199.07457	3.6
199.14804	4.3
201.09209	2.3
201.14761	3.9
201.16408	3.6
202.07759	2.9
203.08533	5.2
203.17935	10.6
205.06522	2.9
205.10146	3.3
207.08096	3.1
207.13882	5.0
211.15012	2.7
213.16324	11.5
215.08580	4.1
218.07219	11.7
219.07941	3.5
219.17285	4.2
225.18463	2.4
227.17992	2.7
229.08720	3.0
229.19601	3.5
231.08105	6.5
232.08804	7.3
233.09526	13.5
235.07535	7.4
237.18500	4.5
246.06824	4.7
247.07530	6.4
247.20651	5.0
249.09062	4.3
250.06065	2.3
250.09984	3.4
260.08337	7.2
261.09152	24.0
262.06381	2.2
262.09555	3.6
263.07065	12.9
264.07922	3.6
275.07156	2.0
275.10687	3.1
277.08655	9.3
278.09390	9.9
279.10187	3.4
280.07355	3.2
281.22522	3.7
288.07813	2.4
289.08627	10.5
289.25369	6.0
290.09290	2.1
292.07324	2.9
293.08627	2.7
293.11774	19.4
295.09537	2.6
299.20596	2.4
299.23648	14.0
305.08154	3.7
306.08896	8.0
307.09637	9.5
308.06525	3.7
317.21030	3.7
317.24731	51.7
321.11157	29.5
322.11908	6.6
323.09033	12.3
335.25784	46.1
338.11404	9.0
353.10126	5.8
353.13849	58.9
353.27280	6.8
354.14261	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01871	9.3
55.05511	50.2
57.03437	10.2
57.07072	25.2
59.04980	4.8
59.06664	4.0
67.05163	6.8
67.05505	89.8
69.07078	54.9
69.32455	40.5
70.06599	7.6
71.05003	5.5
71.08636	29.4
79.05490	55.0
81.07060	100.0
83.04971	8.2
83.08611	25.1
84.96048	5.0
85.06536	8.3
87.81686	4.5
88.07655	5.8
91.05499	25.7
93.07051	51.2
95.04955	8.2
95.08603	86.3
97.06538	16.2
97.10175	23.9
99.08102	21.0
100.13202	5.1
105.07017	30.3
107.08593	40.6
109.06487	7.5
109.10138	45.4
117.07025	8.9
119.08575	36.0
121.10142	35.0
123.11703	15.6
125.05913	6.1
125.09652	11.0
127.03911	8.1
131.08580	13.0
133.10147	21.2
135.11710	25.4
137.09557	5.9
137.13286	10.6
143.08568	6.7
145.10132	13.5
147.11684	22.0
148.84309	4.9
149.02293	8.3
149.13223	14.0
159.11658	14.4
161.13257	15.2
163.14832	13.4
165.12682	6.5
171.11728	5.7
173.13229	11.0
175.14799	19.1
181.15942	5.6
183.11700	5.4
185.13263	5.9
187.14818	9.7
189.11230	8.7
189.16417	5.0
193.04988	20.6
211.14812	6.4
243.21194	12.0
261.22156	22.9
279.23206	21.4
292.42459	5.3
335.25900	33.4
353.24231	6.8
353.28598	22.6
353.79437	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	2.5
54.87476	1.9
55.05512	18.6
55.89879	1.7
56.76056	1.7
57.03450	4.7
57.07079	6.4
59.84963	2.0
65.97032	1.7
67.05505	97.0
69.07069	18.7
69.63887	12.9
70.32488	1.7
71.05009	3.1
71.08631	2.9
79.05492	46.0
79.05951	2.9
81.07059	100.0
83.04973	2.5
83.08620	7.8
85.06542	2.9
91.05477	21.1
93.07045	51.6
95.04984	2.2
95.08604	83.3
97.06552	3.9
97.10175	6.9
99.08073	5.4
105.04474	2.2
105.07029	20.2
107.08594	36.3
109.10158	45.0
111.08080	3.5
115.05409	2.9
117.07029	7.3
119.08583	17.5
121.10143	33.6
123.11709	22.8
131.08566	20.9
133.10129	17.3
135.11703	22.2
137.13290	7.6
139.11215	2.6
143.08617	2.2
145.09134	2.0
145.10072	11.7
147.11705	11.2
149.13268	18.2
151.14801	4.9
158.76825	2.3
159.11705	14.7
161.13292	12.6
163.11214	2.3
163.14828	13.4
165.12772	2.7
173.13268	14.1
175.14792	2.9
177.16432	5.7
187.14813	9.4
201.16341	2.7
214.42854	2.5
221.19377	2.3
233.22672	4.6
243.21101	22.1
261.19354	4.0
261.22147	85.1
273.34943	1.9
279.23230	6.0
317.24329	2.6
335.26022	12.6
353.26816	19.7
353.31519	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03930	2.3
55.05261	1.0
55.05513	15.9
57.03427	3.8
57.07077	6.2
65.03935	4.5
67.05505	89.7
68.35519	0.8
69.07063	17.8
69.45803	8.0
71.04972	3.3
71.08636	6.3
72.08147	2.2
73.02874	1.1
75.04475	1.7
79.05492	49.4
79.18529	1.0
81.07057	100.0
83.04970	1.8
83.08621	8.4
85.06524	3.7
89.87769	1.0
91.05478	25.2
93.07043	63.6
95.04955	4.8
95.08607	69.1
97.06517	4.0
97.10167	3.7
99.08105	4.7
105.04543	1.2
105.07029	20.0
107.08595	43.1
109.06516	2.9
109.10159	41.4
111.08092	2.5
113.09644	1.9
117.07024	10.1
119.08577	18.7
121.10143	37.0
123.08089	2.2
123.10824	1.7
123.11702	20.9
125.09686	1.3
129.07057	1.4
131.08575	24.5
133.10124	14.9
135.11687	28.7
137.09602	1.9
137.13240	9.0
139.11180	1.4
143.08543	1.2
145.10120	16.4
147.11693	11.0
149.13261	22.2
151.11145	1.4
151.14799	2.1
153.12750	2.3
157.10112	1.2
159.11679	14.9
161.13251	9.5
163.11157	2.5
163.14816	12.8
165.12762	4.5
165.16386	1.1
167.14330	1.0
171.11621	1.3
173.13260	15.1
175.14827	5.6
177.12700	1.5
177.16400	4.1
185.13234	1.6
187.14833	11.0
189.16342	1.3
191.14294	1.6
201.16423	3.5
205.15878	1.6
215.17966	2.2
219.17503	1.9
233.19020	1.3
233.22612	5.8
239.18401	1.1
243.21068	20.3
243.23349	1.9
261.22141	93.9
262.22537	1.3
273.03302	1.0
279.23239	3.5
281.18497	1.0
291.23206	7.5
293.23425	1.0
309.24365	2.4
317.24643	1.8
335.25839	8.1
353.26889	36.4
354.27219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	4.5
53.47858	2.0
55.05521	14.1
57.03436	5.6
57.07074	4.5
57.25479	1.9
62.68736	1.7
65.03954	2.4
67.05508	91.8
69.07066	16.5
69.45218	18.1
71.04983	2.6
75.04443	1.9
76.80785	1.9
78.89994	1.7
79.05040	3.7
79.05495	49.9
81.07058	100.0
83.08616	7.4
91.05471	20.8
93.07040	51.0
95.08606	70.6
97.06531	4.4
98.21587	2.1
105.07027	17.9
107.08588	34.4
109.10163	39.9
111.08138	2.5
117.07021	7.1
119.08572	10.8
121.10146	27.7
123.11687	19.4
129.17513	1.8
131.08568	20.7
133.10101	11.5
135.11691	24.2
137.13239	7.8
145.10126	16.0
147.11710	10.5
149.13231	16.1
151.14795	2.4
159.11670	10.6
161.13255	7.4
163.14847	11.7
173.13251	13.9
175.14893	3.0
177.16394	4.8
187.14819	7.5
191.14380	2.4
233.22577	2.6
243.21066	21.8
243.23055	2.6
261.22141	85.7
262.22339	2.9
279.23212	8.2
286.54047	2.1
335.25809	9.3
336.25241	2.0
353.26846	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	4.3
54.96962	1.6
55.05510	13.6
57.03429	4.2
57.07064	3.6
65.03942	2.0
67.05505	98.5
69.07064	14.4
69.51334	14.2
71.04985	4.0
79.05499	45.3
81.07058	100.0
83.08617	9.0
85.06510	2.9
91.05485	22.0
93.07044	62.4
95.04897	3.5
95.08607	70.0
97.06543	2.5
97.10207	2.6
99.08067	2.8
105.07024	16.6
107.08591	34.6
109.10159	43.4
111.08051	2.4
113.09622	1.9
115.75386	1.7
117.07006	6.1
119.08579	15.5
121.10146	33.2
123.08068	2.7
123.11709	22.3
129.35954	1.7
131.08577	20.3
133.10146	11.8
135.11707	24.1
137.09598	2.2
137.13257	8.9
145.10107	15.5
147.11681	12.2
149.13266	19.4
159.11714	15.3
161.13255	10.1
163.14836	12.8
173.13300	15.6
175.14780	3.5
177.16403	5.9
182.30095	1.6
187.14850	9.9
201.16386	4.4
233.22684	6.1
243.21083	20.6
261.22156	90.9
262.22565	2.2
279.23178	8.0
335.25961	11.8
353.26859	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05507	14.7
56.96558	3.4
57.03426	5.1
57.07065	5.1
65.03941	1.9
67.05505	99.1
69.07072	13.4
69.50175	1.8
69.64611	11.3
71.04975	2.6
75.04461	1.6
79.05059	2.7
79.05494	45.8
81.07057	88.5
83.08624	10.9
85.06504	5.3
91.05483	25.1
92.91451	2.2
93.06464	3.6
93.07041	58.8
95.04974	3.8
95.08607	63.0
97.06535	3.8
97.10149	5.5
98.20754	3.9
98.97548	2.3
99.08089	2.2
105.07030	20.5
107.08595	38.5
109.10155	32.7
111.08035	3.4
117.06974	8.4
119.08582	18.2
121.10148	31.6
123.11714	20.3
129.49655	2.2
131.08580	23.6
133.10139	12.6
135.11691	30.7
137.09578	2.9
137.13271	5.7
142.23445	1.7
144.09329	2.1
145.10121	16.2
147.11665	15.6
149.13249	21.9
157.10187	2.1
159.11752	11.5
161.13231	13.4
163.11182	1.9
163.14850	12.3
169.50023	1.6
171.11714	2.4
173.13271	16.1
175.14772	3.3
177.12903	1.9
177.16403	4.8
187.14865	11.1
201.16360	3.6
207.14044	2.1
221.14857	1.8
233.22714	4.5
243.21065	22.8
261.22144	100.0
279.23267	4.4
281.10507	10.6
299.11578	3.7
311.35562	1.9
335.25821	6.8
353.26990	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.00570	2.0
53.03936	3.2
55.01873	2.4
55.05510	14.5
56.96563	2.0
57.03423	4.1
57.07069	6.7
65.03927	2.4
67.05505	100.0
67.05867	4.9
69.07071	20.3
69.51113	14.4
71.04994	2.7
71.08617	5.1
77.03912	2.3
79.05057	3.1
79.05498	53.8
79.05952	3.8
81.03394	2.4
81.07058	99.8
83.04941	3.1
83.08614	11.0
85.06535	4.2
91.05481	29.0
92.26506	1.8
93.07045	70.4
95.04955	5.3
95.08608	75.9
97.06512	7.9
97.10154	6.6
98.97586	2.4
99.08107	4.8
105.07029	25.4
105.07683	3.2
107.08599	46.0
109.06525	3.2
109.10161	37.1
111.08057	3.1
113.09646	3.3
117.07045	12.0
119.08598	19.3
121.10152	36.7
123.08052	4.2
123.11729	12.6
125.09675	2.9
131.08572	28.5
133.10133	15.0
135.08086	2.4
135.11699	31.6
137.13242	8.7
145.10124	21.0
147.11696	14.9
149.09685	2.1
149.13243	23.7
151.14865	2.4
153.12744	2.3
157.10147	2.4
159.11696	15.4
161.13312	10.9
163.11118	3.0
163.14841	12.2
169.10228	2.4
173.13261	20.1
175.14850	5.5
177.16373	4.8
185.13173	1.9
187.14824	13.0
191.14134	2.0
203.18039	2.6
205.15895	2.2
222.71907	1.9
233.22598	4.7
243.21114	30.7
261.22153	68.5
279.23242	4.0
335.25833	8.8
353.27765	4.6
354.33588	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	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	10.8
55.05504	22.1
56.96574	8.4
67.05497	26.3
67.97608	5.6
69.03446	7.6
69.07078	11.2
71.04983	24.5
71.62252	7.8
73.33060	5.8
79.05479	31.3
81.03419	6.6
81.07062	57.1
83.04977	20.0
83.08636	16.4
85.06538	7.6
91.05471	26.0
93.07043	50.7
94.64507	6.0
95.04974	52.6
95.08609	45.9
96.81011	6.1
97.10147	7.6
99.38658	5.5
105.07039	64.7
107.08594	54.3
109.02878	8.1
109.06529	19.2
109.10136	28.9
111.04433	7.9
111.08067	6.1
117.07022	17.4
119.08587	64.9
121.06464	8.9
121.10123	46.5
123.08099	10.1
123.11709	22.3
123.14492	6.1
128.06212	11.7
129.06995	13.9
131.08591	51.2
133.10121	52.2
134.35567	5.7
135.04362	9.7
135.08057	25.6
135.11740	33.6
137.09563	11.0
142.07785	11.2
143.08560	28.4
145.10164	38.3
147.08064	14.2
147.11673	17.4
149.09612	24.5
149.13237	8.9
151.11128	7.7
155.08568	19.3
156.09406	8.7
157.10133	55.1
158.10921	7.5
159.08041	13.3
159.11687	25.6
161.09659	47.2
161.13249	16.0
163.11250	7.7
163.14752	8.7
167.08546	7.5
169.10126	15.7
171.08086	5.2
171.11682	30.0
173.09526	9.6
173.13243	28.3
175.11194	12.2
175.14806	13.2
177.16402	11.5
182.10887	12.9
183.11647	12.5
185.13274	13.7
187.14903	9.9
189.16368	9.5
191.14220	8.3
193.12186	6.4
195.11702	12.1
197.13268	19.7
199.14841	10.2
201.12663	6.7
205.15945	5.5
206.97731	6.1
209.13310	10.3
211.14809	12.7
213.12779	19.6
213.16289	6.3
215.14323	30.6
221.13214	10.9
223.14952	8.0
225.16458	8.6
237.16460	11.5
251.18077	7.3
253.19487	6.6
265.19467	10.9
277.19305	7.8
283.20505	8.2
293.22623	8.7
295.20596	22.1
307.24057	6.4
335.23694	24.7
353.24850	100.0
353.31601	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
67.05498	1.2
69.07060	1.1
70.39450	2.6
79.05506	0.9
80.43837	0.8
81.07067	1.8
85.27363	0.6
88.93508	0.6
91.05488	0.8
93.07031	1.4
95.08613	2.2
98.20698	0.9
105.07015	1.3
107.08596	0.9
109.10162	1.1
119.08568	2.3
121.10120	1.6
131.08556	0.7
135.11717	0.8
145.10110	1.3
145.91209	0.6
152.22734	0.7
161.13225	0.8
167.36162	0.7
171.20839	0.6
182.34668	0.7
184.41571	0.6
187.14714	0.8
207.73521	0.7
307.24194	1.6
353.22961	100.0
354.23279	1.1
371.51050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65454	1.0
55.01867	1.5
55.05513	1.2
56.96566	0.9
57.03425	1.4
67.05489	2.1
69.03429	16.3
69.07072	13.5
71.01351	1.0
71.05217	1.4
73.02919	1.1
79.05516	1.7
81.03411	2.6
81.06644	1.1
81.07052	6.1
83.04967	2.9
83.08611	1.6
85.02908	10.5
85.06545	1.2
91.05477	4.3
93.07052	3.3
95.08614	7.8
97.02902	2.0
105.07049	5.2
107.08602	10.3
109.06503	2.2
111.08108	5.8
119.08591	6.2
121.06517	2.1
121.10148	6.7
123.08060	3.9
127.03912	3.1
131.08594	8.5
133.10136	8.0
135.08051	15.5
135.11665	3.1
137.09602	1.5
140.53462	1.0
143.08566	1.3
145.10130	2.9
147.11700	3.3
149.09631	7.1
149.13268	2.9
158.10895	4.0
163.14803	3.7
173.13272	18.0
176.13429	0.9
187.08617	1.2
191.14311	100.0
192.14616	1.6
219.07666	2.1
233.05745	1.0
233.09378	1.4
233.95659	1.1
307.12946	1.4
335.12283	1.4
353.13507	5.2
353.19641	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	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.9
56.96554	3.8
57.03434	4.8
67.05503	22.8
69.03433	16.4
69.07050	7.6
70.85178	10.3
71.04981	14.0
79.05447	3.9
79.67780	3.9
81.07054	7.9
84.37753	3.4
85.02895	13.8
87.00828	3.8
90.27156	3.7
91.05464	16.0
93.07057	24.0
95.08606	74.8
97.02859	5.1
98.97576	8.9
99.04429	6.1
105.72549	3.2
109.10149	27.0
111.08057	6.1
119.08587	53.5
122.87643	3.2
127.03895	4.2
137.09612	95.5
138.68533	3.6
155.10663	100.0
170.08115	8.2
171.08450	3.6
173.11729	70.9
182.08159	5.5
183.08495	5.5
203.07516	4.4
222.05249	4.6
352.14523	67.5
367.10852	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
58.64393	2.9
59.90197	2.5
65.14139	3.1
69.94683	15.3
98.20728	4.5
105.65602	2.8
119.01488	2.9
136.20004	3.4
264.08353	2.9
265.64020	2.9
272.06766	3.1
275.37027	3.4
334.74887	3.0
353.08450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87812	0.8
53.03928	1.6
55.01857	2.4
55.05500	2.6
57.03425	2.7
61.02905	0.8
67.05484	3.4
69.03071	1.1
69.03429	18.9
69.07070	13.0
71.01324	0.8
71.05012	1.9
71.61121	1.0
73.02905	1.5
74.48707	0.8
79.05482	2.7
81.03396	3.5
81.07056	7.5
83.04961	7.1
83.08600	2.4
85.02901	13.2
85.06532	1.6
86.08870	0.8
91.05499	5.1
93.07049	5.7
95.04945	1.2
95.08607	8.4
97.02901	4.9
97.06494	2.5
99.04438	2.9
105.07030	8.3
107.08600	12.6
109.02837	1.2
109.06522	4.9
109.10155	6.2
109.10775	1.2
111.07412	1.1
111.08079	6.6
117.06989	1.9
119.08567	8.3
121.06481	2.5
121.10133	10.4
123.08083	5.9
123.11729	1.0
125.09623	1.5
127.03924	4.0
129.07013	1.1
131.08559	9.9
133.06491	1.2
133.10114	12.3
135.08058	16.2
135.11710	4.8
137.05975	1.3
137.09602	4.3
140.22244	0.8
143.08539	2.6
144.09422	0.8
145.04904	1.9
145.10101	3.4
147.11691	5.5
149.09605	8.1
149.13245	7.7
151.07458	0.9
151.11159	4.0
158.10866	3.3
161.09560	1.9
163.11198	2.0
163.14769	3.5
171.11594	1.0
173.09550	1.0
173.13248	17.2
175.14818	2.1
185.13246	0.9
187.11098	0.8
189.12679	1.2
191.14296	100.0
193.15868	1.7
209.15379	1.3
250.47955	0.9
275.16553	1.4
299.16278	1.1
308.61243	0.8
317.17551	1.5
335.12604	0.9
335.18552	2.7
353.15411	2.4
353.19507	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77589	4.0
50.84218	3.8
53.03947	5.5
55.01881	7.7
55.05510	8.2
57.03432	7.3
57.78739	3.9
60.04515	12.7
61.02919	5.1
67.05512	10.7
69.03436	38.8
69.07070	75.3
71.04987	13.6
72.08157	57.1
73.02910	4.7
81.03421	25.5
81.07056	9.4
85.02908	100.0
86.09706	15.3
87.00836	40.1
91.05462	8.8
93.07023	9.3
95.04965	4.7
95.08604	14.4
95.13818	3.8
97.02901	53.8
98.97575	11.6
99.04466	17.7
100.45954	4.7
105.01871	92.0
105.07026	4.4
109.02895	24.4
109.10146	13.4
115.59871	4.5
116.27935	4.0
119.08589	7.2
119.33430	3.7
120.08115	28.5
127.03919	78.2
136.06169	19.7
136.07590	22.2
137.09627	17.4
145.04985	64.9
155.10696	33.1
159.02892	9.3
159.11307	9.4
166.08641	22.0
170.08179	5.3
173.11742	13.5
182.08226	5.7
183.08450	7.4
187.10750	15.2
193.09767	7.4
207.11176	5.7
220.11879	19.2
231.05104	24.5
249.06010	9.4
253.11923	11.9
352.14053	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01864	2.0
55.05521	4.5
57.03436	1.0
57.07080	5.8
67.05500	9.6
69.07075	7.2
70.25591	3.4
71.01355	6.1
71.08638	1.9
76.06339	0.9
77.57436	0.7
79.05485	4.5
81.07054	13.6
83.08614	3.3
85.06580	1.3
88.24797	0.8
91.05482	4.7
93.07042	5.7
95.05003	1.5
95.08595	11.7
97.02898	3.9
97.06544	3.1
97.10160	2.4
98.21417	1.1
105.07029	4.6
107.04967	1.1
107.08589	5.5
109.06515	1.3
109.10162	4.9
109.43625	0.8
110.03688	2.8
111.04465	2.6
111.08096	1.2
119.08578	3.6
121.10153	3.2
121.72617	0.9
123.04439	19.0
123.08062	1.3
123.11710	2.6
128.17577	0.7
131.08563	2.3
133.10124	2.8
135.08127	1.0
135.11711	1.9
137.05974	1.4
137.13200	1.3
143.08574	1.2
145.10124	2.0
147.08058	1.2
147.11714	2.8
149.13248	1.1
151.07504	2.3
157.10179	1.6
159.11679	1.2
171.11630	0.8
173.13266	1.8
187.14854	1.1
207.13820	2.7
221.15369	5.0
225.46410	0.8
235.16931	5.4
249.18547	6.0
259.20596	1.2
263.20023	4.1
276.78580	0.9
294.44174	0.8
305.24768	48.5
315.23355	1.3
315.26685	1.0
333.24246	100.0
334.24585	1.6
346.61819	0.9
351.21689	0.9
351.25354	5.9
351.30322	3.1
355.43964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14251	1.7
53.03938	5.1
54.30297	1.6
55.01855	4.2
55.05515	22.4
57.03437	16.6
57.07060	5.4
65.03949	2.0
67.05502	67.9
67.05866	4.1
69.03401	1.9
69.06774	2.1
69.07070	25.0
69.54881	7.0
69.55309	6.5
71.04977	3.8
71.08633	53.5
79.05051	3.0
79.05493	64.3
81.03407	7.6
81.07056	65.7
83.04991	13.5
83.08625	14.8
85.06530	5.3
91.04969	2.6
91.05482	37.7
93.06455	3.8
93.07040	69.4
95.04964	16.1
95.08603	52.3
97.06521	11.9
97.10143	5.5
99.07470	2.7
99.08093	45.6
105.07030	33.0
107.04956	6.3
107.08598	45.4
109.06494	7.7
109.10152	27.5
111.08102	2.6
113.09663	4.3
113.58981	2.0
117.06985	5.8
119.08588	26.6
121.10140	35.6
123.08067	4.8
123.11696	4.3
125.09657	2.9
127.11158	2.7
129.06993	4.1
131.08531	8.8
133.06461	3.2
133.10147	21.7
135.11687	48.0
135.47644	1.6
137.09608	5.5
141.09137	3.7
143.08556	6.6
145.10126	9.8
147.11687	9.8
149.13257	16.6
151.11198	19.1
157.10133	4.7
159.11694	11.1
161.13266	15.7
163.11160	7.6
163.14792	3.8
165.12701	1.9
167.10719	3.0
171.11671	4.8
173.13272	5.2
175.14824	2.6
177.12712	7.1
179.14307	100.0
185.13188	4.1
187.14853	2.4
189.12762	3.9
195.13800	2.6
199.14787	4.6
221.15355	4.7
229.19469	2.2
235.16878	6.4
241.19508	4.3
259.20596	12.4
277.21631	43.8
296.52322	1.6
304.80350	1.9
333.24258	4.4
351.21555	3.7
351.25354	43.4
351.30203	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46936	1.8
53.03939	4.6
55.05510	18.3
56.09824	1.6
56.96555	5.3
57.03420	5.5
57.07065	4.3
58.47231	1.7
60.75551	1.7
60.86966	2.0
62.14146	1.8
65.03922	3.8
67.05167	2.8
67.05508	51.6
69.06757	1.8
69.07066	15.9
70.18707	3.6
70.19123	6.0
70.31607	1.7
71.04988	4.3
71.08629	9.2
74.34113	2.2
76.25557	1.9
79.05496	63.9
80.05832	1.9
81.03410	3.4
81.07056	63.4
83.04961	4.8
83.08603	8.8
85.06535	5.5
91.05482	68.3
93.06455	4.1
93.07043	78.5
95.04951	5.7
95.08604	35.9
97.06512	4.3
97.10162	6.4
98.97579	3.4
99.08083	8.4
105.07029	66.6
107.04960	3.2
107.07861	2.3
107.08595	47.3
109.06489	4.1
109.10162	14.6
111.08064	3.4
113.09618	2.1
117.07028	14.4
119.08588	55.2
119.09441	3.1
121.10142	31.2
123.08054	3.3
123.11674	6.6
125.09605	2.5
129.07033	9.1
131.08575	25.7
133.10129	49.0
135.11697	33.8
137.09666	2.1
142.07809	2.4
143.08543	8.9
145.10133	28.6
147.11681	51.6
149.09653	3.5
149.13255	19.1
151.11177	5.6
157.10175	10.5
159.11664	21.5
161.09689	2.6
161.13255	42.5
163.11134	3.6
163.14813	7.1
165.12746	2.4
171.11688	15.7
173.13290	13.9
175.11214	4.2
175.14824	22.7
177.16280	2.4
179.14281	4.2
184.24693	1.9
185.13243	17.0
187.14841	5.2
189.12793	4.7
199.14867	10.2
213.16406	6.5
217.19397	2.8
231.17522	2.2
231.21046	10.8
241.19508	42.3
259.20581	100.0
272.34012	2.1
275.20264	2.0
277.21588	6.6
333.23953	3.6
351.18338	8.8
351.25375	61.3
351.30209	5.3
361.03571	1.8
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
53.03943	4.2
55.01874	3.0
55.05513	24.9
56.96557	3.7
57.03440	11.2
57.07062	5.8
65.03942	2.5
67.05170	3.7
67.05507	65.0
69.07069	22.4
69.39338	6.3
69.39766	9.0
71.04980	5.4
71.08636	12.3
75.04466	2.2
79.05495	76.1
81.03390	3.1
81.07061	65.8
83.04971	4.8
83.08627	11.2
83.80468	1.7
85.06554	5.4
91.04893	2.4
91.05478	53.6
93.07046	93.8
95.04975	9.3
95.08607	49.5
97.06512	5.9
97.10171	5.8
98.97593	16.0
99.08067	10.4
105.07032	60.3
105.07742	3.4
107.03185	1.7
107.08599	57.6
109.06493	2.4
109.10157	22.2
110.97540	7.3
111.08077	2.8
113.09611	1.8
116.98632	3.4
117.07012	13.4
119.08587	59.5
121.06512	2.4
121.10154	52.3
123.08057	3.2
123.11691	5.1
125.09583	3.3
128.98631	2.1
129.07022	9.0
131.08583	21.2
133.10133	49.9
135.08081	4.2
135.10658	2.9
135.11694	47.6
135.58284	1.6
137.09636	1.9
143.08578	10.2
145.10143	22.2
146.07404	1.9
147.08020	2.2
147.11690	44.1
149.09641	4.3
149.13272	26.0
150.36188	2.0
151.11176	6.9
153.09137	4.5
157.10109	12.6
158.99641	3.5
159.11703	22.6
161.09636	2.9
161.13266	39.3
163.11197	6.7
163.14891	10.5
165.12709	2.0
167.10873	1.8
169.10138	1.9
170.99655	3.9
171.11693	16.2
173.13306	12.9
175.11174	2.7
175.14813	21.1
177.00780	3.5
177.12741	3.8
177.16396	2.4
179.14340	17.4
182.99724	2.0
185.13292	10.8
187.14911	3.3
189.00751	4.6
189.12744	3.1
199.13213	2.0
199.14819	8.1
201.00655	2.3
201.16350	2.0
203.14220	2.9
213.11348	1.9
213.16386	6.7
217.19574	4.5
219.01776	9.8
221.15450	2.2
231.01779	3.2
231.17453	3.7
231.21013	10.5
235.16890	3.5
237.02818	9.9
241.19519	36.5
259.20581	100.0
261.02756	3.1
277.21640	24.2
279.03918	7.3
333.24033	11.1
351.25305	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01861	2.7
55.05512	20.3
56.96550	7.3
57.01369	2.0
57.03414	7.7
57.07063	5.8
65.03947	3.4
66.58429	2.2
67.05499	59.8
69.07068	24.3
70.09598	4.6
70.09959	8.8
71.04988	5.4
75.04468	3.3
79.05049	3.7
79.05490	72.2
81.07055	74.9
83.04972	3.9
83.08596	10.2
85.06537	5.8
91.05476	63.0
93.07040	100.0
95.04951	8.9
95.08611	52.1
95.43689	2.5
97.06525	6.2
97.10158	4.2
98.20827	3.5
98.97560	5.1
99.08083	6.5
105.07026	64.5
107.08591	63.1
109.06509	5.6
109.10149	23.5
111.08077	3.7
113.09674	3.2
116.98567	5.2
117.07012	15.6
119.07785	3.8
119.08581	59.5
121.10149	57.5
123.08015	4.4
123.11690	8.3
125.09603	2.7
129.06981	9.0
130.07802	3.0
131.08559	25.7
133.10123	56.7
135.08127	4.3
135.11687	49.5
137.09575	3.2
140.20468	2.4
143.08530	13.3
145.10123	26.1
147.08105	2.5
147.11682	55.6
149.13268	36.7
151.11095	3.2
157.10115	16.2
159.07965	2.4
159.11697	25.0
161.09634	3.6
161.13239	38.9
163.11116	4.3
163.14809	12.7
165.12685	3.2
169.09975	2.5
171.11719	17.7
173.13240	17.8
175.11150	2.7
175.14818	22.8
177.12756	5.2
185.13284	17.6
187.14810	5.7
189.12791	2.6
189.16548	2.9
191.14287	3.4
195.13789	2.7
197.13246	2.7
199.14813	6.2
201.16469	2.7
203.14236	3.7
213.16399	3.9
217.19516	4.2
225.54062	2.4
231.21065	8.0
241.19516	35.1
255.12669	5.1
259.20563	97.1
265.07358	2.4
277.21640	16.4
311.15192	5.6
329.16385	10.7
333.17456	4.7
333.24167	12.0
347.17355	10.8
351.21454	16.2
351.25381	72.8
351.30289	4.4
367.39490	2.4
369.19485	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01861	6.0
55.05511	20.5
56.86037	2.5
57.03405	3.6
57.07064	5.3
67.05164	3.9
67.05503	55.0
69.03421	6.8
69.07061	22.5
71.04981	5.3
71.08612	4.8
71.60979	3.5
75.79524	2.5
79.05492	64.9
81.03398	5.6
81.07054	67.5
81.49200	2.8
83.04971	10.6
83.08621	9.8
85.02887	3.5
85.06551	5.4
91.05482	68.2
93.07045	88.8
95.04956	10.6
95.08601	44.2
96.08877	2.8
97.02873	10.5
97.06536	5.9
97.10155	5.8
98.97577	27.8
99.04449	4.6
99.08089	5.0
101.06020	2.7
105.06374	4.1
105.07031	66.2
105.26194	2.5
107.08592	47.4
109.06510	5.5
109.10159	24.4
110.97578	4.8
111.04432	6.7
111.08060	5.6
116.98631	13.3
117.07036	15.4
119.08579	62.9
121.06479	4.7
121.10134	41.2
123.08082	2.6
123.11684	8.4
125.09641	5.4
127.00735	2.7
128.98608	2.8
129.06999	11.1
131.08556	29.6
132.68512	2.3
133.06502	3.3
133.10130	52.4
135.11699	38.1
143.08589	16.8
145.10117	26.5
147.08034	4.9
147.11690	47.8
149.09625	5.4
149.13263	20.1
151.07452	2.7
151.11198	5.9
157.10138	15.8
158.99666	7.3
159.11684	21.6
161.13261	36.5
163.11147	5.2
163.14809	9.1
170.99672	5.5
171.11652	15.3
173.13213	14.8
175.11194	3.5
175.14822	20.5
177.00706	6.2
177.12750	6.8
177.16267	2.6
179.14351	3.4
183.11676	4.6
185.13266	13.2
187.14816	6.6
189.00754	6.0
189.16330	5.3
199.14818	11.0
201.00604	3.1
203.14468	3.1
213.16379	3.1
217.19533	4.0
219.01828	5.2
231.01773	7.5
231.21106	8.8
237.02696	6.1
241.19507	33.6
259.20572	100.0
277.21643	11.1
315.19406	3.0
315.23050	3.3
333.20529	5.7
333.24182	7.2
351.17651	33.0
351.21429	48.0
351.25333	45.3
351.30258	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01873	2.2
55.05304	1.6
55.05511	17.8
56.28929	1.8
56.96554	3.3
57.03430	10.0
57.07083	3.9
57.53695	1.6
58.61892	1.6
61.36773	2.0
65.03934	2.8
67.05172	2.6
67.05505	49.4
67.08607	1.9
69.03427	4.4
69.07080	19.5
69.39911	4.5
69.40314	11.3
71.04943	2.2
71.08617	1.8
79.05492	77.7
81.07057	63.3
83.04977	4.0
83.08601	8.0
84.96149	1.8
85.06524	5.4
85.62397	2.4
91.05479	62.3
93.07045	92.5
95.04936	5.5
95.08601	47.1
97.06498	4.8
97.10164	2.6
97.42523	2.8
98.97584	11.3
99.04517	2.7
99.08069	6.0
101.06009	1.9
103.05484	2.1
105.07030	67.3
107.04966	1.9
107.08591	60.7
109.06512	3.5
109.10157	17.7
111.08096	2.4
116.98643	3.2
117.07011	15.1
119.07782	3.4
119.08582	58.1
121.06505	3.8
121.10143	43.5
123.08017	2.5
123.11694	8.2
127.16569	2.3
129.07022	9.5
131.08575	22.1
133.10132	59.9
135.08040	3.4
135.11694	42.9
137.09581	2.2
143.08569	12.6
145.10112	26.7
147.11682	50.0
149.09633	4.0
149.13266	29.8
151.11157	4.1
157.10156	11.8
158.99638	4.8
159.11662	20.0
161.09569	4.3
161.13255	44.3
163.11157	2.7
163.14825	11.9
167.69624	1.9
170.10872	1.7
171.11708	16.7
173.13235	13.3
175.11212	5.1
175.14821	18.8
177.00702	2.1
177.12756	4.6
179.14409	2.5
183.11746	2.3
185.13280	13.1
187.14835	6.7
189.12730	4.1
189.16312	3.9
193.12163	2.3
196.98006	1.9
197.09831	2.0
199.14879	10.6
203.14432	3.1
213.16394	5.5
215.17880	3.4
217.19424	5.1
221.15358	2.0
231.01715	2.0
231.17511	2.4
231.21109	9.3
237.32831	1.8
241.19521	39.7
259.20581	100.0
277.21616	16.3
333.24203	10.2
351.11865	2.4
351.13165	2.7
351.17737	21.4
351.21588	8.3
351.25302	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71039	2.1
55.05509	11.7
56.13610	2.0
57.03449	2.4
57.07081	2.5
67.05507	30.0
69.03420	9.0
69.07072	15.9
70.25574	2.0
70.72602	4.8
71.04994	16.0
71.34641	1.9
71.62909	1.9
73.06567	3.7
79.05489	20.9
81.07056	96.4
83.04976	9.3
83.08600	6.8
84.17689	1.9
85.06556	10.2
85.46048	2.3
91.05473	19.3
93.07042	40.5
95.04980	13.2
95.08038	3.5
95.08607	51.2
97.06531	12.4
99.04445	11.9
99.08085	2.5
101.54290	2.2
104.11443	2.0
105.07030	45.2
107.04964	2.5
107.08598	54.1
109.06523	26.6
109.10159	67.2
111.08065	5.8
117.07012	6.6
119.08599	26.2
121.06496	3.9
121.10139	39.5
123.08086	11.1
123.11703	37.3
125.09631	5.1
127.07559	16.2
127.11171	8.8
130.31300	2.3
131.08594	14.8
133.10133	50.1
135.08073	3.7
135.11693	20.9
137.09604	8.2
137.13303	9.8
139.07538	1.9
139.11220	11.7
140.94653	1.8
141.12724	2.1
142.07832	3.5
143.08583	3.5
145.10159	16.6
147.08049	2.3
147.11693	39.1
149.09631	13.2
149.13237	8.2
151.11180	100.0
153.12733	15.2
155.01877	2.5
157.10112	5.1
159.08051	3.6
159.11743	11.8
161.09616	8.2
161.13239	8.9
163.11192	9.5
163.14787	3.2
165.12753	20.1
167.10669	5.4
169.10080	2.7
169.12201	8.4
171.11697	7.4
173.13290	5.8
173.17099	2.1
175.11206	8.3
175.14772	4.8
177.12642	2.5
179.10690	23.2
179.44829	2.2
181.12218	5.5
185.13330	4.1
187.14819	8.1
189.12740	5.9
189.16203	2.4
191.10666	3.0
191.14293	3.8
193.12238	21.8
199.14819	5.1
201.16393	9.3
207.13753	7.2
211.14964	10.7
213.16397	4.6
215.12766	4.7
217.15883	3.6
219.17468	3.8
225.16310	2.6
227.17894	4.5
229.14284	7.7
229.16028	6.3
235.17001	4.8
245.18997	5.9
247.16916	12.3
263.20081	2.6
276.07843	2.7
279.21045	4.0
287.23669	3.6
290.09323	2.9
291.10245	3.2
297.22171	9.2
315.23163	27.9
319.09674	4.0
333.20425	4.7
333.24237	44.2
341.23618	2.2
351.12265	8.9
351.21478	6.7
351.25381	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05495	0.5
60.04516	0.5
67.05485	0.8
69.07046	0.6
69.67559	0.4
70.23748	0.5
70.99994	0.9
73.43710	0.4
81.07041	1.8
83.08617	0.5
86.79586	0.5
93.07025	1.2
95.04953	0.4
95.08594	1.5
97.02870	0.4
97.10151	0.4
98.97599	0.7
105.07028	1.2
107.08587	1.1
109.10167	0.9
111.08023	0.4
119.08616	0.6
121.10153	0.7
131.08603	0.5
133.10106	0.9
151.11174	0.9
158.34523	0.4
159.11662	0.5
160.02974	0.4
168.28471	0.4
215.11205	0.6
230.50673	0.5
251.95819	0.4
253.12921	0.9
271.14014	0.5
281.13657	0.4
306.71817	0.4
333.20184	0.8
351.21408	100.0
352.21783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78044	17.2
69.78449	7.9
171.38048	3.5
213.46199	3.3
341.87521	3.4
351.06885	100.0
351.11639	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	351.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35912	0.9
63.65704	1.0
67.05489	2.0
69.03408	2.7
71.61032	1.0
71.61393	1.2
79.05480	2.2
81.03408	1.2
81.07044	2.5
83.04984	1.7
85.02875	1.9
91.05489	1.8
93.07034	1.5
94.06554	2.0
95.04970	1.5
95.08562	1.0
96.08150	6.2
96.08657	1.1
97.02891	1.8
97.06516	0.9
99.04449	1.0
102.40298	0.9
105.07041	1.6
108.04482	10.9
108.08135	2.4
110.06042	21.1
112.07598	4.2
119.08589	2.3
121.06512	1.1
122.06046	10.9
122.92258	0.9
123.06805	7.2
124.07587	19.0
127.18563	1.2
136.07561	10.3
137.05988	1.2
137.08351	3.1
138.09207	1.4
140.07050	8.7
145.02798	1.2
145.10085	1.4
147.04468	1.2
149.09613	2.3
150.05490	2.9
152.07068	8.7
164.07066	13.5
166.05005	1.7
168.06548	13.5
170.08125	81.3
175.11230	1.0
177.05472	2.0
182.08133	100.0
183.08456	1.6
184.09752	2.9
189.12711	3.3
351.14685	6.2
351.18280	2.0
361.95465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46058	8.2
56.96569	9.0
60.52354	8.9
69.44133	90.2
71.04984	27.8
79.78384	9.2
81.07056	37.4
85.02895	25.2
86.09718	79.7
91.05463	17.8
93.07042	22.5
95.08612	21.9
97.02876	11.9
98.21593	10.9
98.97578	18.7
100.11220	11.9
104.81377	8.8
105.07053	11.0
107.15990	10.0
120.08117	100.0
127.97094	9.4
135.11726	18.1
137.13240	12.6
157.13388	33.3
165.70044	9.5
166.08571	23.4
185.12872	17.3
191.11780	32.8
204.08685	20.9
206.84335	10.8
220.29037	9.7
237.12306	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46058	8.2
56.96569	9.0
60.52354	8.9
69.44133	90.2
71.04984	27.8
79.78384	9.2
81.07056	37.4
85.02895	25.2
86.09718	79.7
91.05463	17.8
93.07042	22.5
95.08612	21.9
97.02876	11.9
98.21593	10.9
98.97578	18.7
100.11220	11.9
104.81377	8.8
105.07053	11.0
107.15990	10.0
120.08117	100.0
127.97094	9.4
135.11726	18.1
137.13240	12.6
157.13388	33.3
165.70044	9.5
166.08571	23.4
185.12872	17.3
191.11780	32.8
204.08685	20.9
206.84335	10.8
220.29037	9.7
237.12306	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01864	1.0
55.05521	3.4
57.03413	1.1
57.07076	4.4
60.82359	0.8
66.41106	0.6
67.05501	5.2
69.07072	3.5
69.42328	5.7
71.08620	2.8
77.14276	0.6
79.05505	3.8
81.07059	8.1
83.08616	2.0
85.06524	2.4
91.05459	2.8
91.13936	0.7
93.07034	2.9
95.08597	7.9
97.06539	1.3
97.10152	0.7
99.08081	1.4
105.07039	3.3
107.08612	4.7
109.06522	17.6
109.10146	2.7
111.08105	1.1
117.06994	1.1
119.08571	2.6
121.10120	2.9
122.07285	2.1
123.08073	23.3
123.11662	0.8
131.08543	1.5
133.10098	1.3
135.08035	3.5
135.11647	1.2
137.09615	1.6
137.13289	1.0
145.10100	1.4
147.11658	1.8
149.09602	1.2
149.13248	0.8
157.10051	0.7
158.11914	0.7
159.11745	0.7
163.11143	0.7
165.12750	0.7
167.14424	1.0
173.13316	1.0
175.04677	0.7
179.14314	100.0
193.15898	2.3
275.20154	1.6
289.25250	0.8
331.26312	2.7
349.27383	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84276	2.8
53.03949	19.2
55.01882	21.9
55.05510	45.6
56.96561	7.4
57.03438	19.9
65.03957	3.6
65.90134	2.6
67.05161	5.0
67.05508	82.7
69.03439	6.4
69.06714	5.1
69.07073	60.7
71.04974	3.7
71.60992	4.7
79.05495	100.0
81.03433	18.6
81.07063	83.1
83.04979	23.9
83.08629	17.8
85.06553	7.8
91.05485	63.5
93.07052	69.8
95.01344	9.7
95.04974	21.9
95.08607	54.8
97.06544	23.9
97.10163	12.8
105.07033	79.0
107.04958	43.0
107.08598	57.4
109.06506	11.2
109.10168	26.0
111.08080	5.3
117.07030	24.4
119.05018	2.7
119.08586	58.4
121.06505	9.5
121.10161	28.3
123.04411	4.8
123.08070	10.5
123.11708	6.5
125.06030	3.9
125.09660	13.7
131.08586	32.5
133.10144	47.9
135.08054	11.2
135.11699	16.7
137.05879	2.6
141.06973	3.6
143.08540	8.4
145.06474	6.9
145.10138	27.6
147.11665	25.9
149.09634	32.6
149.13264	8.2
151.11285	4.2
155.08601	3.6
157.10159	11.1
159.11691	24.6
161.09410	2.6
161.13254	11.4
163.11214	8.0
163.14845	4.4
165.12759	3.1
169.10158	9.9
171.11710	7.7
171.39519	2.8
173.13278	7.3
175.11162	3.1
175.14799	7.2
177.12791	5.9
179.10661	2.9
179.14328	19.8
183.11729	5.8
185.13380	4.8
187.11182	3.6
187.14825	11.1
189.11240	5.5
197.13257	6.7
211.14769	3.8
213.07947	4.4
225.16394	4.0
229.07458	7.2
229.19495	5.3
243.09125	5.3
253.19568	2.8
257.19058	11.8
275.20065	53.4
331.15591	3.9
331.19147	4.7
331.22742	6.4
349.16309	5.6
349.19763	27.7
349.23828	38.6
349.28732	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.30243	2.2
53.03935	8.2
55.01861	10.8
55.05264	3.4
55.05513	45.9
56.96533	3.1
57.03438	16.8
57.07057	4.2
59.59346	2.4
65.03945	4.5
67.05167	4.2
67.05505	65.9
69.07063	23.3
70.42407	5.6
70.42743	2.5
71.04978	6.2
76.83018	2.4
79.05495	100.0
81.03413	8.6
81.07058	61.7
83.04983	28.6
83.08629	13.4
85.06588	2.9
91.05486	49.9
93.07042	60.8
95.04964	15.4
95.08605	26.8
97.06532	7.1
97.10162	13.1
103.05469	2.7
105.07029	47.2
107.04956	28.1
107.08595	64.8
109.06490	6.0
109.10148	22.5
117.07059	16.9
117.45354	2.8
119.08584	34.9
121.06472	6.1
121.10127	25.1
123.07990	4.2
123.11691	3.9
125.09637	17.1
129.06992	5.6
131.08565	21.3
133.06419	2.5
133.10152	23.6
135.08072	11.4
135.11650	12.7
137.09601	3.4
143.08539	2.7
145.10149	13.7
147.11688	17.1
149.09596	51.5
149.13303	4.1
153.09087	3.7
157.10178	3.2
159.11635	12.9
161.13219	6.0
163.11107	2.7
163.14864	3.9
169.10149	2.9
171.11707	2.9
173.11784	4.7
173.13225	7.2
175.11243	2.4
178.61182	2.3
183.11609	2.8
187.11171	4.7
190.42368	2.5
197.13344	4.8
209.15407	4.2
229.19441	4.1
247.20537	5.4
254.94553	3.6
257.18967	9.8
275.20074	40.0
331.22885	3.6
349.19928	4.0
349.23676	36.7
349.27542	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95454	1.4
53.03944	6.6
55.01872	12.8
55.05261	3.0
55.05510	47.5
56.96550	2.3
57.03433	15.1
57.07054	4.4
65.03945	3.2
67.05504	53.9
67.05864	2.7
69.03414	5.3
69.07059	19.1
70.60384	1.7
71.04995	7.2
71.61922	2.5
77.03891	1.4
79.05490	100.0
80.27818	1.5
81.03415	5.5
81.07057	46.6
83.04984	27.8
83.08605	12.6
85.06535	2.8
91.05481	41.5
93.07043	62.1
95.04956	11.8
95.08601	28.0
97.06540	7.5
97.10165	17.9
105.04485	2.1
105.07027	42.0
107.04961	27.9
107.08594	65.4
109.06537	6.6
109.10156	26.0
111.08054	5.0
115.05417	1.6
117.07006	14.8
119.08577	28.4
121.06493	5.7
121.10151	26.0
123.08049	3.5
123.11693	4.8
124.23334	1.4
125.09615	13.8
129.06987	4.2
130.07787	1.4
131.08563	20.9
133.09196	2.5
133.10126	25.0
135.08046	9.1
135.11702	6.7
137.09540	2.6
141.06996	2.4
143.08568	3.4
145.06438	2.2
145.10132	15.2
146.72624	1.5
147.08054	1.8
147.11679	17.3
149.09615	51.5
149.13252	5.3
153.09068	2.0
153.12657	1.6
155.08586	2.1
157.10141	4.0
159.11702	13.5
161.09645	1.8
161.13272	5.7
163.11191	5.2
163.14789	3.7
169.10130	3.6
169.12234	4.3
171.11708	4.1
173.11813	2.9
173.13261	6.0
177.12735	2.6
179.14340	2.4
183.11650	2.0
185.13217	2.5
187.11111	3.4
189.11253	9.8
189.12759	2.1
191.14348	2.2
199.14711	1.4
201.12959	1.6
205.12180	1.7
209.15404	5.4
212.93558	1.5
213.16342	1.9
215.13994	1.6
229.19493	4.8
233.15335	1.7
236.82274	1.4
239.17929	2.4
247.20656	2.0
257.19067	7.7
262.15311	1.6
275.17233	2.9
275.20062	35.5
349.19894	2.9
349.23651	41.7
349.28043	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17780	1.0
53.03948	3.3
55.01866	6.4
55.05514	16.6
56.96572	10.0
57.03438	15.0
57.07080	2.0
58.87299	1.0
65.03922	1.3
67.05505	29.2
69.03431	2.0
69.07070	20.1
69.48039	1.9
69.48444	8.2
71.04986	1.5
79.05051	2.0
79.05492	31.5
81.03429	1.7
81.07059	37.3
83.04991	7.4
83.08619	5.8
85.06531	2.2
91.04950	1.8
91.05486	24.7
93.07049	34.1
95.04971	8.4
95.08617	23.5
97.06528	4.2
97.10159	3.1
99.08048	1.1
105.07031	30.3
107.04963	8.4
107.08604	20.3
109.06516	12.5
109.10160	11.7
111.08088	2.1
115.05475	1.4
117.07005	9.6
119.08591	18.6
121.06504	13.1
121.10138	13.0
123.08083	6.4
123.11715	3.2
129.07005	3.2
130.07796	1.3
131.08566	20.8
133.06512	4.3
133.10130	19.3
135.08067	7.9
135.11697	6.7
137.09610	3.0
143.08536	3.6
145.06502	2.4
145.10124	16.1
147.08052	4.3
147.11691	12.5
149.09631	6.9
149.13284	4.4
151.11189	6.0
155.08563	1.9
157.10146	4.1
159.08066	3.0
159.11694	9.1
161.09619	4.3
161.13272	4.5
163.11180	7.8
163.14809	2.0
165.12775	1.9
169.10106	2.4
171.11719	3.0
173.09645	3.6
173.13284	7.4
175.11179	2.9
175.14795	1.1
177.12746	2.2
179.14334	1.5
179.87204	1.0
183.11691	2.5
185.04747	1.2
185.13217	1.7
187.11180	1.7
187.14789	2.4
189.12804	1.4
191.14279	3.4
197.13321	2.2
199.06387	3.7
199.14859	1.6
201.07942	1.7
201.12804	3.3
207.13777	2.6
213.08034	5.7
215.14197	1.3
215.18011	2.2
217.07442	1.9
219.13786	4.4
219.17317	1.9
229.07436	8.6
229.19499	2.9
229.66658	1.0
231.09052	3.7
233.15451	1.4
233.49321	1.1
239.17944	5.5
243.08968	2.5
247.08545	5.4
247.20576	5.7
254.94641	1.0
257.19034	18.4
261.09961	1.4
267.09021	1.7
275.20056	100.0
276.20432	1.5
285.10089	2.4
293.21121	7.0
331.15714	1.4
349.16391	9.4
349.20001	5.5
349.23611	30.5
349.27728	3.0
355.78989	1.1
367.17822	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	17.2
55.01873	18.9
55.05511	27.5
56.96550	4.3
57.03442	17.7
63.29739	2.5
65.03932	3.6
67.05506	76.1
69.03431	5.7
69.07068	62.6
69.93879	4.5
69.94256	4.7
71.04991	5.6
71.47766	2.6
79.05044	4.9
79.05489	70.1
81.03414	34.6
81.07056	94.7
83.04970	18.3
83.08627	17.4
85.06561	4.0
85.38809	3.1
91.05481	65.9
93.07044	66.9
95.01326	21.9
95.04981	25.6
95.08610	54.4
97.06534	24.2
97.10152	6.0
98.20737	2.9
98.97594	3.5
99.08142	4.0
103.09264	2.7
105.07027	100.0
107.04958	43.0
107.08598	31.2
109.02890	3.4
109.06501	8.4
109.10175	13.3
111.04424	3.5
111.08096	4.7
117.07034	23.7
119.08588	54.9
121.06510	7.7
121.10155	12.6
123.04421	6.4
123.08071	11.4
123.11698	4.0
125.09628	4.4
131.08562	35.0
133.10127	62.8
135.08038	9.8
135.11650	14.3
137.09564	2.5
139.11157	2.9
141.06978	5.9
143.01906	4.3
143.08585	6.7
145.06442	7.3
145.10127	29.9
147.08037	2.5
147.11691	27.1
149.09613	9.1
149.13281	9.5
157.10127	9.1
159.11679	25.0
161.09647	5.5
161.13246	9.8
163.11188	9.4
165.09154	3.4
169.10126	4.7
171.11607	5.2
173.13243	8.8
177.11104	2.5
177.12782	7.7
179.14291	34.6
183.11702	4.3
185.13289	4.1
187.08517	2.9
187.11174	10.2
187.14755	2.7
195.13800	4.0
197.13263	3.8
205.12354	3.2
229.19572	4.2
235.11108	2.7
257.18915	9.8
275.20071	65.0
275.23032	3.6
286.16162	3.5
297.94205	2.8
331.15756	5.6
349.16785	8.1
349.20068	5.1
349.23618	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75234	1.1
53.03952	2.0
55.01862	4.0
55.05511	14.8
57.03178	1.3
57.03439	14.2
57.07080	3.5
58.86740	1.0
62.65575	1.0
67.05163	2.1
67.05507	30.6
69.03426	2.2
69.07069	19.1
70.56164	3.3
71.04985	2.4
79.05496	27.7
80.12670	1.1
81.03419	2.1
81.07057	33.9
83.04973	7.3
83.08630	5.5
91.05482	26.2
91.36847	1.1
93.07047	31.2
95.04961	7.0
95.08619	21.4
97.06532	4.5
97.10172	2.8
100.12826	1.0
105.06366	2.3
105.07034	30.4
107.04944	8.5
107.08594	19.6
109.06525	11.2
109.10149	8.2
111.08084	3.3
111.19424	1.1
115.05484	1.4
117.07029	10.2
119.08592	16.7
121.06510	12.8
121.10181	8.4
123.08064	6.7
123.11705	4.4
129.06992	2.8
131.08572	17.3
133.06509	4.7
133.10138	19.9
135.08070	7.2
135.11665	6.1
137.05980	2.0
137.09633	2.4
141.06989	2.1
143.08572	3.6
145.06445	2.7
145.10130	14.9
147.08044	3.5
147.11703	13.0
149.09631	7.4
149.13249	4.0
149.34056	1.1
151.11162	4.5
155.08568	2.0
157.10155	4.7
159.08040	2.6
159.11684	11.1
161.09644	4.7
161.13281	3.5
163.11188	6.5
165.09180	1.2
165.12837	2.1
169.10179	1.4
171.11708	2.6
173.09642	1.8
173.13271	5.2
175.11198	4.2
175.14833	2.3
177.12794	2.3
183.11658	3.3
185.13214	1.4
187.11197	2.3
187.14870	1.7
191.14363	2.6
201.12794	3.3
207.13852	3.6
215.14290	1.5
215.18048	1.5
219.13782	3.8
229.19569	2.8
239.17981	5.3
247.20517	6.5
257.19003	17.3
275.20068	100.0
276.20288	1.4
293.21136	8.6
349.20016	1.8
349.23700	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01865	6.6
55.05506	20.7
56.96560	2.2
57.03440	16.1
57.07061	4.3
60.04528	15.1
65.03923	1.8
67.05161	3.6
67.05505	42.7
69.03428	5.8
69.07067	30.0
69.94851	10.6
71.04990	2.1
79.05491	33.3
81.03414	4.8
81.07056	55.6
83.04982	11.4
83.08629	10.2
84.43752	1.6
85.02896	5.4
85.06527	4.9
91.04950	3.4
91.05478	41.0
93.07047	45.8
95.04990	11.5
95.08607	35.9
97.02892	2.7
97.06535	9.7
97.10164	4.2
98.21526	2.1
98.97584	3.8
105.07027	43.3
107.04955	13.9
107.08595	33.5
109.06515	16.6
109.10161	19.0
110.10479	1.7
111.08098	5.5
117.07022	16.2
119.08585	28.0
121.06512	16.0
121.10137	17.9
123.08070	8.2
123.11697	4.8
125.09605	3.0
129.07005	5.8
131.08566	25.2
133.06471	4.4
133.10121	29.1
135.08034	9.8
135.11650	10.7
137.09604	5.6
143.08562	6.5
145.06465	4.0
145.10118	30.0
147.08041	3.8
147.11696	19.3
149.09618	11.4
149.13225	7.1
151.11203	6.9
155.08554	4.1
157.10152	7.6
159.08116	3.7
159.11719	21.7
161.09627	5.9
161.13239	4.8
163.11189	11.2
169.10164	4.7
171.11700	7.5
173.09653	4.9
173.13228	11.0
175.11172	6.9
175.14809	2.4
177.12747	4.2
179.14308	1.8
183.11658	5.2
185.13284	3.1
187.11241	4.4
187.14784	6.9
189.12712	3.1
189.16307	2.4
191.14340	3.8
193.12238	2.7
197.13280	3.5
199.14911	2.5
201.12741	5.2
201.16409	3.0
203.14325	2.3
207.13826	5.3
210.57602	2.1
211.14809	2.7
213.16512	2.1
215.14467	2.3
215.17949	3.9
217.15845	3.1
219.13884	5.2
229.19493	5.0
239.17961	7.0
247.20569	4.2
251.11119	2.8
257.19064	19.7
269.12360	6.9
270.12656	1.8
272.44461	1.8
275.20059	100.0
293.21140	7.0
306.56168	2.1
331.22778	3.4
349.16092	11.3
349.19809	24.8
349.23776	38.9
349.28430	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	349.1857
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03934	5.6
55.01871	2.7
55.05490	2.9
57.03428	8.7
57.07061	1.8
59.04992	5.3
61.02921	10.3
61.57837	1.6
65.03925	1.9
67.05497	8.9
69.03429	31.5
69.07059	13.5
71.04989	33.3
71.61150	2.2
73.02915	3.0
79.05495	14.4
81.03426	11.8
81.07056	86.5
83.04968	6.6
83.08633	2.1
85.02902	87.2
85.06526	3.2
87.04458	3.8
91.03937	3.8
91.05472	2.9
93.07034	6.0
95.04948	3.2
95.08575	5.3
97.02899	25.3
97.06520	6.8
97.10146	1.8
98.97540	3.1
99.04439	6.8
99.08077	5.8
103.04010	2.2
105.07019	2.8
107.08593	20.9
109.02860	7.3
109.06501	8.0
109.10151	25.8
109.61412	2.0
111.08037	4.6
111.11700	6.8
115.03904	2.4
116.98583	2.2
121.10139	3.5
123.11709	44.5
124.04756	2.1
127.03917	15.0
127.11124	2.5
133.10117	7.2
139.11182	14.1
141.12749	2.0
144.18581	1.8
145.04964	12.9
151.11179	49.8
157.12256	13.5
162.12424	1.9
169.12236	100.0
177.00845	1.8
187.13284	30.5
190.14415	2.7
195.08714	1.8
201.54289	1.7
203.07532	2.1
203.57793	1.9
234.99097	2.1
235.27498	1.9
239.02223	2.9
246.11165	4.6
303.13605	2.4
319.01205	2.3
331.12875	2.8
349.08881	8.2
349.13547	5.0
349.17853	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
69.52718	22.3
69.53135	25.9
95.43675	7.4
119.01872	8.4
143.02016	8.5
146.29865	6.0
158.36201	6.9
160.71352	7.7
174.62743	7.3
199.17622	6.5
229.01956	8.3
258.17728	6.9
280.88538	7.1
349.08664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01865	2.7
55.05496	3.4
57.03436	4.5
57.07063	3.1
59.05001	25.4
61.02913	3.2
65.03925	2.0
67.05487	8.1
69.03430	21.8
69.07048	6.8
70.06596	3.1
70.77882	3.0
71.04990	9.3
73.06580	2.4
79.05486	8.3
81.03390	3.7
81.07066	25.4
83.04977	3.1
83.08622	5.1
85.02901	22.3
85.06548	11.3
86.09692	2.3
87.04474	15.3
91.05457	7.9
93.07061	6.4
95.04926	4.2
95.08611	4.9
97.02885	6.2
97.06528	29.3
98.97584	6.2
99.04419	3.5
105.07041	4.8
105.38495	1.9
107.08600	7.5
108.04501	4.9
109.02934	2.3
109.06512	7.7
109.10149	14.5
111.08089	6.7
117.02296	2.0
119.08619	2.2
121.10121	3.5
122.06036	5.3
123.08074	4.1
123.11706	18.8
125.06000	2.7
127.03914	5.9
131.04961	1.9
133.10133	6.0
137.05934	2.6
139.11180	7.1
140.07014	2.1
145.10176	2.6
151.03937	3.9
151.11179	23.6
157.12306	5.3
163.03835	2.5
168.06602	2.2
169.12247	100.0
182.08125	5.6
187.13283	8.8
193.12245	3.2
244.09712	3.9
260.09018	2.7
289.11795	2.6
303.12857	2.2
304.11859	5.2
313.11945	2.3
317.11301	2.1
331.12769	2.4
349.12631	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36150	18.3
55.05510	53.7
58.18298	17.3
67.05502	100.0
69.07072	31.9
70.20887	70.3
79.05490	26.7
81.07063	87.4
83.08628	31.0
89.96342	17.7
91.05496	24.5
93.07044	50.1
95.08582	23.5
109.10159	81.4
135.11751	22.2
149.13226	37.3
155.10710	21.6
158.72812	18.8
159.11624	19.3
161.13263	19.3
173.11740	80.0
189.11215	26.0
195.13788	53.3
213.14874	36.1
277.21655	73.2
295.22958	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	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48933	6.5
69.52474	45.8
98.20747	11.2
111.22758	6.5
113.00868	6.1
122.92415	7.1
124.39243	6.5
157.95856	7.2
160.68391	6.7
197.68707	6.1
229.02139	8.0
257.35931	7.6
267.01630	6.6
349.08575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15089	4.4
56.74324	4.3
57.25219	4.8
69.11449	4.1
71.60139	6.0
72.93409	4.6
77.07853	4.2
229.01984	10.5
247.03091	8.7
349.08737	100.0
373.37784	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	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
54.99820	0.6
55.05505	2.9
56.05037	4.3
57.03434	1.2
57.07069	1.0
58.06600	0.8
60.04522	100.0
61.90830	0.6
65.72102	0.6
67.05502	12.2
68.05008	0.7
69.07063	2.8
69.47499	5.2
70.06596	1.3
71.05004	1.2
72.04518	2.6
74.06086	1.8
77.86174	0.6
79.05483	8.6
80.05024	1.0
81.03414	1.2
81.07047	11.6
82.06570	2.4
83.04980	0.9
83.08630	1.2
84.04494	0.7
85.06509	0.9
90.05563	1.9
91.05470	8.3
93.07047	8.5
94.06570	1.8
95.04976	1.2
95.08596	9.8
96.08157	1.0
97.06540	1.0
97.10147	0.9
105.07037	4.9
105.07679	0.8
107.08582	4.2
109.10147	3.9
112.07604	0.9
113.09656	0.7
117.07024	1.5
119.08585	3.3
121.06543	0.7
121.10146	4.5
122.09708	0.7
123.11703	1.2
131.08575	2.2
133.10115	3.7
135.11662	2.8
136.07553	0.7
143.08568	0.6
145.10129	1.9
147.11670	1.8
159.11691	1.2
161.13255	1.1
170.78589	0.6
171.11713	1.1
173.13222	0.8
185.13356	0.9
203.17924	0.8
217.19479	0.8
229.19467	0.7
258.22015	1.5
276.23233	3.2
294.24222	8.7
312.25345	13.7
330.26367	29.4
348.27414	67.3
349.27945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96072	0.5
53.03935	0.9
55.01867	0.8
55.05514	2.3
56.05038	2.8
57.03438	1.0
57.07064	0.7
58.02965	0.7
60.04525	100.0
67.05505	10.6
68.05017	1.1
68.58026	0.6
69.07072	2.9
69.81499	3.5
70.06588	1.1
72.04515	2.1
74.06071	2.2
75.52652	0.7
79.05491	9.4
79.48392	0.6
80.05033	1.2
81.03400	1.0
81.07058	11.8
82.06584	2.1
83.04990	1.5
83.08636	1.2
90.05573	1.4
91.05481	7.9
93.07043	8.8
94.06592	1.4
95.04958	1.4
95.08606	9.5
95.09165	1.0
96.08131	1.4
97.06536	0.8
98.06063	0.8
98.12743	0.5
98.21487	0.8
100.07671	0.7
102.05581	0.6
105.07021	4.5
107.08585	5.2
109.10145	4.7
112.07633	1.2
113.09618	1.0
116.07110	1.0
117.06998	1.4
119.08563	4.0
121.06494	1.0
121.10148	4.0
123.08083	0.8
123.11749	0.8
131.08559	2.0
133.10124	2.7
135.11681	2.7
143.08539	0.7
144.87476	0.6
145.10097	1.3
147.11696	2.1
149.13264	0.8
157.10159	1.0
159.11723	1.0
161.13304	1.1
173.13303	0.7
175.14859	1.0
177.16452	0.6
199.15047	0.6
203.18050	0.9
217.19502	0.6
258.22144	1.1
264.23242	0.8
276.23221	4.2
294.24286	6.7
312.25363	10.1
330.26382	28.9
348.27435	64.4
349.27625	0.6
359.99738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00647	1.7
56.96550	3.0
57.03439	1.7
58.02514	1.7
61.02920	3.0
64.85315	1.7
67.35130	1.8
69.03413	7.4
69.92164	5.5
69.92570	4.5
73.02910	3.0
79.05497	1.9
81.03416	3.6
85.02424	2.2
85.02908	21.8
89.03896	3.4
91.03978	2.0
91.05482	15.8
95.04947	4.4
97.02876	8.0
98.97595	9.6
99.19348	2.2
109.02863	2.9
110.97598	2.1
116.98583	3.1
117.03394	2.0
119.04932	14.5
123.04436	2.0
123.69587	2.2
123.97509	1.7
127.03915	5.1
135.04367	4.7
136.05122	2.3
136.06181	4.0
137.05934	2.0
145.04865	5.2
146.99783	2.0
151.07541	100.0
163.03911	18.9
164.04086	2.6
169.08572	7.9
176.03403	2.3
176.76691	1.9
186.11177	3.5
201.04086	2.5
219.01720	3.1
279.51791	1.9
348.13629	3.3
348.17154	16.8
358.07968	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	347.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	36.6
67.05511	54.7
69.07053	53.8
71.61002	26.7
79.05489	79.7
81.07058	100.0
83.08624	25.8
85.06579	21.6
91.05477	62.2
93.07041	92.7
95.04938	31.7
95.08600	92.9
97.06527	56.6
104.29393	20.8
105.07032	76.8
107.08578	83.7
109.10149	38.7
115.05585	19.8
117.75416	19.5
119.08580	77.3
121.10139	58.4
131.08621	36.0
133.10112	51.1
137.05975	23.6
145.10161	30.3
147.11662	49.7
157.10194	25.1
161.13315	23.3
173.13196	21.2
199.14723	21.9
285.09879	32.2
303.15723	25.3
307.50671	25.2
329.17480	32.1
329.21228	24.3
329.24847	25.5
347.18280	92.4
347.22125	28.7
347.27167	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1314
Annotation	Nordercitin
Peak:m/z	Relative Intensity
69.03416	1.6
70.96066	0.9
70.96407	1.8
85.02891	1.6
94.73684	0.8
97.02886	1.5
143.00183	1.4
143.19421	0.8
163.03938	2.2
167.06766	3.2
185.04245	3.5
185.07869	15.1
195.12086	0.8
199.19763	0.8
203.05251	5.6
285.13089	4.6
301.12573	24.6
329.11945	1.2
347.13083	100.0
347.16861	24.4
348.13531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
69.03426	1.3
70.06543	0.7
71.16965	1.6
71.78674	0.6
81.87657	0.6
85.02914	2.4
90.65535	0.7
91.65637	0.7
97.02873	0.8
98.97594	0.8
126.08711	0.7
133.81853	0.6
167.06770	3.5
180.53539	0.6
185.04225	3.9
185.07874	15.2
203.05293	6.3
208.21327	0.6
285.13132	4.7
301.12598	22.6
347.13110	100.0
347.16879	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2581
Annotation	CHEBI:91274
Peak:m/z	Relative Intensity
51.77888	1.8
54.03645	1.7
55.01872	6.6
55.05513	30.6
56.96556	3.4
57.03434	4.5
57.07076	2.6
59.04989	3.4
65.03978	1.7
67.05502	19.4
69.03426	4.5
69.07069	17.4
71.05801	3.3
73.89886	1.6
78.61222	1.9
79.05493	20.8
81.03425	3.7
81.07063	28.8
83.04978	8.1
83.08599	6.2
85.02907	2.8
85.06555	5.9
87.35146	2.3
91.05484	26.2
93.07046	42.2
95.04985	4.7
95.08607	44.2
97.06535	10.0
97.10184	4.5
98.97575	2.3
99.04468	4.9
101.06013	24.8
105.07037	34.3
107.08595	58.2
109.06510	6.7
109.10159	22.8
111.08082	46.7
113.05999	2.1
113.62265	1.7
116.98618	1.7
117.07012	7.3
119.08578	45.6
121.06503	4.9
121.10146	45.5
123.08084	6.4
123.11707	7.5
125.09628	10.0
127.07556	3.4
129.05467	8.3
129.07014	4.4
131.08565	11.8
133.06537	2.2
133.10129	34.9
135.08168	2.0
135.11700	35.5
136.09685	1.9
137.13245	2.4
139.07549	51.3
139.11160	5.6
140.11284	2.1
141.09135	3.1
141.51898	1.8
143.08565	7.6
145.10118	23.4
147.08080	5.2
147.11685	25.2
149.09654	5.0
149.13255	13.8
151.11221	2.9
153.09148	2.2
155.08527	3.7
157.08607	14.7
157.10120	8.5
159.11705	32.8
161.09636	3.2
161.13293	17.0
163.14790	9.6
165.09248	1.9
167.10670	10.0
171.11702	6.5
173.13287	13.3
175.14832	4.9
181.09995	1.8
181.12317	3.1
183.11649	2.7
185.11734	5.3
185.13264	7.0
187.14777	17.5
189.16411	3.4
191.17952	20.3
193.12300	2.4
194.10736	1.8
195.11746	4.7
199.11218	2.8
199.14818	5.7
201.16377	24.3
203.17964	67.3
209.13312	4.8
211.14861	2.9
213.16415	5.8
215.17986	4.2
223.14857	3.4
229.15906	2.2
229.19447	5.1
241.15854	2.4
251.18042	5.9
259.17065	4.9
269.19080	9.8
273.18506	6.9
287.05603	3.8
287.20053	2.8
293.22571	7.6
311.23746	7.4
315.11133	3.4
329.24753	100.0
336.60950	2.2
347.14551	3.7
347.18304	18.7
347.22070	2.1
347.25800	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01870	4.4
55.05489	0.7
56.96546	0.9
62.44228	0.7
67.05492	2.1
69.07074	0.8
69.49189	5.4
75.51490	0.7
79.05479	2.0
81.07027	1.1
85.02907	0.7
91.05467	2.1
93.07045	2.5
95.04945	0.9
95.08614	1.3
98.97572	1.1
104.04993	0.7
105.07016	1.3
107.04945	1.2
109.10104	0.7
119.08535	1.1
121.06543	0.8
121.10106	1.7
123.04449	1.2
125.06039	0.7
129.06985	1.5
131.08574	0.7
134.05989	1.1
135.11725	1.2
137.06000	1.3
137.09546	0.7
138.05492	1.6
141.06990	0.9
145.10156	0.6
147.04410	1.9
148.07625	0.8
152.03409	1.9
153.05493	1.0
157.06454	0.9
158.09703	1.2
160.03943	1.0
161.04774	1.0
162.05484	0.9
167.07115	2.8
169.06418	0.8
172.07558	0.8
175.07550	2.6
176.07024	1.6
178.04976	3.6
181.08661	2.5
184.06313	1.1
185.07169	3.1
185.10745	1.0
186.09178	1.2
187.05028	2.5
197.05907	1.1
199.08678	6.4
199.12355	0.9
200.09250	0.9
201.06612	5.2
201.10226	2.0
205.06071	1.0
209.10724	0.8
210.09143	2.6
211.08643	2.4
212.07121	0.7
212.09370	0.9
213.06664	6.8
213.10147	4.6
223.08650	1.1
225.06598	1.1
227.08163	9.6
227.11772	2.7
228.10350	0.9
229.09781	3.4
231.07663	5.2
237.10202	3.0
238.08624	2.3
238.91470	0.7
239.08087	1.9
241.06004	1.1
241.09688	5.4
243.11349	1.1
245.09203	1.5
255.07660	11.9
255.11276	9.1
257.09143	2.1
257.12436	1.1
258.63721	0.7
259.07193	1.0
265.09698	5.5
267.07721	2.0
269.09259	10.9
269.11938	0.9
273.08716	4.4
273.12378	1.3
275.10410	1.0
275.13806	0.9
283.07397	1.3
283.10773	22.0
283.13931	1.1
287.10223	4.1
293.09149	7.3
293.20923	1.2
301.11771	4.8
311.10233	41.9
319.12759	3.1
329.11310	74.0
330.11694	1.4
347.12375	100.0
347.16159	4.1
348.12772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	39.0
57.03436	13.9
67.05507	80.0
69.07051	41.5
71.61530	14.1
79.05495	40.1
79.25266	7.1
81.07069	67.2
83.08601	24.2
83.70083	7.8
90.04998	10.3
91.05480	24.9
92.53856	9.8
93.07035	34.3
95.08601	34.3
97.06519	20.5
97.10171	16.2
98.97572	24.1
105.07006	38.3
107.08567	47.4
109.04789	8.4
109.10151	86.0
111.08051	10.3
117.56711	8.7
119.08592	28.0
119.74348	8.1
121.10126	23.7
123.11691	8.2
125.09637	20.3
131.08539	16.9
133.10138	20.9
135.11650	14.1
145.10068	17.8
147.11696	18.3
148.74146	9.7
149.09644	14.1
149.13226	15.9
151.03836	10.8
155.10664	25.1
158.99615	10.0
159.11713	19.4
161.13278	8.1
173.11720	100.0
177.12666	15.9
189.11276	15.4
190.90810	8.2
195.13821	42.8
197.13148	8.7
213.14857	18.1
233.66791	10.3
272.32074	8.8
275.20093	59.3
281.07678	10.9
286.11777	12.0
293.21176	15.0
314.11008	72.1
346.13699	20.8
346.26239	29.3
347.22122	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	346.2588
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
51.09113	0.3
53.03942	1.0
55.01875	1.6
55.05505	3.8
55.77580	0.4
56.05038	1.9
56.96565	1.9
57.03434	2.3
59.04986	1.0
60.04525	100.0
61.02921	0.6
65.03949	1.0
67.05504	8.7
68.05042	0.8
69.03430	1.5
69.07068	5.2
69.34722	0.4
69.35362	2.2
69.35787	1.2
70.06603	0.5
71.04983	1.9
72.04517	5.7
72.08155	5.3
73.02922	1.0
74.06075	1.6
79.05496	10.8
80.05000	1.3
81.03419	1.7
81.07056	21.5
82.06585	1.6
83.04980	1.0
83.08627	0.8
84.04478	0.6
84.08162	0.7
84.96033	0.8
85.02906	5.4
85.06551	1.4
86.06074	0.7
86.09700	3.2
87.04470	0.8
90.05554	1.3
91.05476	10.0
93.07040	10.0
94.06572	1.4
95.04967	2.1
95.08605	7.7
96.08131	1.0
97.02889	2.8
97.06547	1.5
98.06057	0.6
98.97582	5.6
99.04452	1.0
99.08100	6.4
102.05533	1.2
103.05473	0.7
105.04501	0.5
105.07035	5.7
106.06599	0.7
107.04967	1.4
107.08599	5.8
108.08130	0.9
109.02865	0.6
109.06512	0.9
109.10168	2.4
110.06062	0.5
110.97578	1.5
111.08065	0.6
112.07576	0.6
112.89249	0.4
116.07103	1.4
116.98637	1.9
117.07023	3.1
119.08582	4.5
120.06552	0.9
120.08099	0.8
121.06510	3.2
121.10134	3.8
123.08051	0.8
123.11746	0.5
124.07579	0.8
124.94791	0.3
125.09648	1.3
126.09142	0.5
127.03953	1.4
128.06252	0.7
128.98653	0.9
129.07004	1.5
131.08566	3.7
132.10130	0.6
133.10120	3.4
134.09616	0.9
134.99614	0.4
135.08049	0.5
135.11688	2.7
137.09610	0.7
140.07057	1.0
141.07034	0.4
141.10211	0.6
142.08665	1.2
143.00175	0.6
143.08589	1.3
145.04976	1.6
145.10124	3.2
147.08112	0.6
147.11716	1.7
149.13242	1.2
153.05467	0.6
153.12770	0.6
157.10121	0.8
158.99672	2.2
159.11760	1.1
160.09737	0.4
160.11301	0.4
161.01282	0.4
161.09615	0.4
161.13326	0.6
169.09894	0.8
170.99825	0.4
173.13170	1.0
175.14848	0.8
176.31602	0.4
177.00696	2.1
178.04967	0.4
179.54456	1.7
180.04645	0.5
183.11452	0.4
184.09627	1.2
185.08075	0.9
185.13255	0.4
186.07112	0.6
187.11006	1.2
188.54927	2.1
189.00743	0.6
194.15495	0.5
195.08733	0.6
195.57896	0.5
196.02890	0.5
201.00722	0.4
201.12363	2.4
201.16505	0.5
202.10747	1.2
203.17899	0.4
212.16470	0.6
214.03896	1.4
215.10306	1.1
215.17891	0.7
219.01775	1.3
227.18132	0.5
229.11777	0.5
230.17555	1.8
230.55980	1.1
237.02826	1.2
239.17839	0.6
246.59966	0.5
247.12904	0.5
251.20023	0.8
251.56589	2.0
252.06775	0.6
255.60440	0.9
256.10742	0.6
256.20700	0.4
257.19101	0.9
260.57086	8.2
261.07254	2.7
261.57428	0.7
274.21658	1.4
292.22742	3.0
310.23779	4.7
328.24829	19.4
336.63193	0.6
340.07156	0.9
345.63403	0.6
346.14703	2.4
346.25882	84.0
347.26224	1.5
358.08032	3.3
359.08496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.05512	16.3
57.07074	9.7
58.44614	3.7
58.64240	3.7
59.04987	4.4
61.49690	3.4
67.05515	17.2
69.07071	42.5
71.40187	6.2
79.05486	14.8
81.07059	88.2
83.08618	14.2
85.02893	7.4
85.06544	5.4
91.05466	6.3
93.07053	31.6
95.08609	59.6
96.70715	3.3
97.06526	7.8
97.10167	6.3
99.08056	5.0
102.22324	3.3
103.05462	8.3
105.07021	11.1
107.08596	25.8
109.10149	33.3
111.08080	14.5
119.08599	6.2
121.06516	4.2
121.10149	19.6
123.11695	27.6
130.04158	4.2
131.04950	22.0
133.10097	5.4
135.11691	15.2
137.05978	3.9
137.13268	23.1
147.11725	7.9
149.13254	16.0
153.07002	4.2
153.12770	5.6
155.14360	7.1
156.60420	4.0
161.13292	6.3
163.14841	5.9
165.06950	3.8
165.12766	5.0
181.06493	10.4
182.07278	5.8
191.07024	23.8
195.02873	5.3
206.07175	4.1
209.05992	4.6
210.06749	6.7
211.17834	4.8
221.06021	4.3
223.07564	8.6
224.08359	3.4
225.09120	4.0
227.07089	4.2
235.07404	4.8
237.05357	5.0
238.06267	3.7
239.07159	8.5
241.97978	4.5
252.07985	3.8
253.08620	10.0
254.09230	4.6
267.10245	10.5
270.08875	8.0
279.26920	4.8
284.10474	4.4
285.11142	12.3
291.26880	7.5
295.09647	10.0
299.09167	10.3
309.27863	4.2
313.10687	100.0
313.14279	5.1
314.11282	15.6
345.13293	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.4
55.05496	15.8
57.07061	8.3
59.04988	5.7
66.54986	3.7
67.05502	31.4
69.06710	5.0
69.07065	62.5
70.46738	11.2
70.47082	4.0
71.04970	6.2
79.05485	14.0
81.07056	100.0
83.08615	27.9
85.06533	15.4
91.05468	8.9
93.07043	31.7
95.08037	6.5
95.08607	77.7
97.06526	10.0
97.10162	7.5
99.08083	10.2
103.05442	4.7
105.07003	11.2
107.08584	34.6
109.10163	32.1
111.08063	15.3
111.08776	4.0
111.11712	17.6
119.08569	12.7
121.10171	19.7
123.11702	34.1
126.80641	3.9
127.11168	4.0
131.04997	19.3
135.11664	10.6
137.13254	19.5
147.11713	4.7
149.13229	27.2
151.07553	4.4
153.12733	13.8
155.14328	5.9
161.13197	4.5
163.14809	8.1
177.07191	4.3
178.07771	4.7
181.06438	9.3
191.07074	18.6
197.09528	4.4
201.53328	4.0
202.46352	4.0
206.07332	3.9
209.05923	5.6
210.06694	11.7
211.07492	7.5
221.05855	4.4
224.08218	4.3
225.09029	8.7
227.07083	7.3
235.07451	4.5
237.05556	5.2
238.06250	7.8
239.06960	5.8
241.08655	5.2
253.08511	9.4
254.09407	5.0
267.06580	4.1
267.09973	9.8
271.09720	4.6
285.11118	13.8
291.26804	8.6
295.09756	11.2
297.27869	4.6
299.09222	9.6
309.27805	11.4
313.07208	7.0
313.10715	96.4
314.11505	14.3
327.12299	4.5
345.13492	32.7
345.20416	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	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52638	5.4
55.05505	24.3
57.07085	7.8
62.50826	6.2
67.05503	36.4
69.07068	35.5
69.42678	39.1
69.43090	11.6
70.77170	5.5
71.50707	6.4
79.05493	29.1
81.07051	100.0
81.47482	5.5
83.08608	17.9
85.02931	6.4
85.06552	20.7
91.05491	10.9
93.07062	31.8
95.08019	9.8
95.08601	91.3
97.06585	9.2
97.10144	12.2
99.08099	11.1
103.98947	5.6
105.07025	19.5
107.08589	37.0
108.23595	5.7
109.10156	48.1
111.04430	13.4
111.08124	7.0
111.11710	6.1
117.18096	6.5
121.10133	27.0
123.11700	23.5
130.82486	6.5
131.04936	24.5
135.11673	13.8
137.05969	83.1
137.13210	15.8
139.03882	19.3
147.11661	6.4
149.13246	28.4
151.03912	5.8
151.07558	13.7
163.14839	18.0
165.09102	11.3
181.42854	5.7
189.09129	9.3
207.08104	8.8
225.09192	11.3
227.07088	6.7
237.05688	7.1
237.08865	6.0
239.06892	6.7
267.10257	8.6
269.08209	9.9
273.25925	9.5
279.26862	10.0
291.26770	16.2
295.09879	7.5
298.28323	7.6
299.09186	23.2
301.10718	6.9
309.27899	17.9
313.10669	53.2
345.13324	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2789
Annotation	18,19-O-Isopropylidene-18,19-dihydroxyisopimara-8(14),15-diene
Peak:m/z	Relative Intensity
53.03939	3.7
55.05510	11.8
56.96555	1.9
57.07071	5.3
58.30868	1.4
59.04965	2.2
67.05508	13.8
69.03426	8.6
69.07063	13.8
70.79466	4.7
71.04988	19.9
76.68629	1.6
79.05492	12.6
81.07063	19.5
83.08621	6.8
84.26125	1.5
85.06543	8.8
91.05481	18.0
93.07046	84.1
95.08610	50.4
97.06543	15.8
97.10181	3.4
99.08092	37.6
103.05457	2.0
104.99254	2.5
105.07034	31.8
107.08594	55.6
109.06522	4.2
109.10152	32.7
111.08089	7.2
116.47534	1.7
117.07035	3.5
119.08579	40.6
121.06523	1.7
121.10146	42.4
123.08075	2.8
123.11704	10.1
125.09642	13.9
127.07576	14.7
129.06969	2.9
131.08560	9.2
133.10132	29.2
135.08095	2.8
135.11697	37.4
137.09627	13.5
137.13229	1.9
139.11188	11.7
143.08560	6.9
144.09358	2.2
145.10149	22.6
147.11697	28.8
149.13286	9.8
151.11186	2.0
155.10672	35.8
156.09341	2.7
157.10194	8.2
159.11696	25.0
161.13263	20.6
163.14810	7.6
165.12732	3.1
169.10146	6.2
171.11699	8.0
173.13277	13.3
175.14839	6.1
177.16577	2.6
183.11699	6.1
183.13850	2.0
185.13261	7.0
187.14809	14.6
189.12622	2.0
189.16391	3.8
191.07091	1.8
191.17990	4.9
197.13223	2.5
199.14815	6.3
201.16389	34.1
203.17958	66.1
211.14835	6.3
213.16406	10.4
215.18011	6.0
217.15984	2.7
225.16383	4.0
227.17990	6.6
231.17410	2.2
239.17876	2.6
245.49738	1.9
253.19530	6.7
257.22653	4.4
267.21072	6.5
269.22610	17.1
287.23615	3.6
306.31735	1.7
309.25800	19.0
313.10751	9.1
327.26834	100.0
345.20480	4.5
345.24252	3.5
345.27948	17.1
345.31693	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65946	0.4
56.96563	0.8
61.00097	0.4
68.62763	0.4
69.03423	1.0
69.96522	0.4
71.56656	0.9
73.02898	0.4
78.65075	0.4
85.02912	0.8
85.06469	0.5
91.05499	0.6
97.02827	0.6
98.97630	0.7
119.04937	0.4
121.02884	0.6
123.04456	0.5
137.05984	1.1
147.04411	1.7
163.03911	0.7
165.05450	0.5
165.08917	1.6
167.06932	0.6
182.35866	0.5
183.09950	1.4
191.07106	0.8
203.05273	2.3
226.77629	0.5
230.34404	0.5
237.02812	0.5
287.11096	1.4
313.10715	1.9
327.14294	1.4
345.15219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2271
Annotation	oscr#19
Peak:m/z	Relative Intensity
55.01860	5.0
55.05511	40.9
56.96558	4.0
67.05504	14.6
69.03419	5.2
69.07070	18.1
69.77747	3.9
69.78168	10.6
79.05492	12.6
81.07062	16.9
82.63120	2.2
83.04984	5.5
83.08628	23.0
91.05482	5.1
93.07027	15.1
95.08578	9.5
97.06489	4.9
97.10162	57.4
104.99286	5.7
105.06946	2.3
105.14201	2.4
107.08596	18.3
109.10133	4.2
111.11710	2.7
119.08559	6.3
121.10144	14.4
125.09620	50.0
131.08592	4.8
135.08051	5.6
135.11710	3.1
139.11136	15.2
143.10608	3.7
145.06390	2.7
153.09093	12.1
157.12206	8.3
165.09105	3.1
171.10191	11.3
188.38437	2.5
189.11214	100.0
189.12923	4.8
262.98364	2.8
295.22495	2.7
309.20575	4.3
313.10672	9.1
324.11853	2.7
327.21606	3.0
345.13370	4.2
345.20547	6.2
345.24210	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	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.09476	1.4
55.01860	2.7
55.05495	4.6
57.42537	1.5
65.03934	3.6
67.05492	2.7
68.68749	1.4
69.03433	1.5
69.07060	3.2
71.61325	1.9
74.37466	1.6
77.87866	1.4
79.05484	2.7
81.07062	12.0
82.65564	1.6
83.08631	2.1
85.06531	6.3
91.05471	2.3
93.03397	2.2
93.07027	4.3
95.08608	8.4
96.02115	6.2
98.97612	3.2
105.07053	2.4
107.01345	2.3
107.08591	3.5
109.10161	5.2
111.04456	31.0
111.08117	1.8
115.05498	1.9
117.07005	2.5
119.08549	2.0
121.02953	1.5
121.10175	2.4
121.83942	2.0
122.40884	1.5
123.04442	1.7
123.11679	4.3
129.07014	3.6
131.04958	3.7
135.11726	1.9
137.05949	3.7
139.03917	14.6
144.05716	2.0
145.06471	4.1
153.05559	2.8
153.06976	4.9
155.04974	1.8
155.08543	2.3
157.06479	5.2
158.95529	1.7
159.08052	9.4
160.08833	5.9
161.05998	6.5
161.09650	4.2
162.06750	2.1
165.06992	5.5
167.03426	4.5
167.08578	2.5
168.05702	7.0
169.06471	3.1
171.08057	1.9
174.06728	2.2
178.07784	4.4
179.08540	7.4
180.05696	2.2
181.06511	7.9
182.07327	3.1
183.08138	1.8
184.08882	1.9
185.06006	6.0
185.09662	3.4
187.07561	3.8
188.08318	10.6
189.07028	1.6
189.09100	3.0
191.07104	2.0
195.08078	7.2
196.05183	4.4
196.08791	3.4
197.06020	5.9
197.09602	2.5
198.06802	18.0
199.07561	5.6
200.08403	3.1
206.07336	3.0
207.08073	10.0
208.08925	3.3
209.06004	6.7
210.06747	8.4
211.07562	12.7
211.11179	5.1
212.08260	3.0
213.05502	8.8
213.09138	5.0
221.09576	3.7
222.06699	1.6
223.07466	6.5
224.04729	2.0
224.08339	6.8
225.05443	3.4
225.09146	5.0
226.06319	8.0
227.07043	5.3
228.07849	4.0
234.06824	3.1
235.07542	6.2
236.08400	2.5
237.05435	1.9
237.09166	4.5
238.06230	3.5
238.09903	10.1
239.07057	22.7
239.10629	15.1
240.07813	11.1
241.04948	6.1
241.08585	12.9
243.06490	18.1
249.09151	4.7
251.07076	3.1
252.07822	6.8
253.04816	2.4
253.08595	14.2
253.12241	5.1
255.06555	4.8
256.07321	15.4
256.10950	2.1
265.08679	2.6
266.09406	2.7
267.06705	5.5
267.10165	32.6
268.07275	24.2
268.10532	1.9
269.08078	30.9
270.08643	2.4
271.09598	6.2
271.13150	6.2
281.08130	4.2
281.11804	5.3
283.09653	3.2
284.06802	5.3
284.10416	11.4
285.11124	3.9
286.08270	7.0
291.26755	1.7
292.74365	1.7
295.09769	11.8
296.10440	11.9
299.09137	100.0
299.12778	22.8
300.09421	1.7
303.19284	1.8
309.11136	1.9
313.10678	30.2
314.11365	2.1
317.13824	1.7
327.12299	71.1
345.13464	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	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01860	1.5
55.05500	3.5
56.81507	1.2
57.03422	1.4
65.03920	5.8
67.05499	2.0
68.53667	1.2
69.03411	1.5
69.07057	2.7
69.34473	13.5
79.05489	3.1
81.03368	1.6
81.07047	3.2
83.04978	2.2
85.02880	2.8
91.05461	3.1
93.03389	2.3
93.07050	2.4
93.17426	1.4
95.04934	2.4
95.08601	3.6
96.02083	5.7
97.10184	1.7
99.04503	1.5
100.11214	1.3
102.95615	1.5
105.06997	2.9
109.10178	1.3
111.04449	24.8
117.07019	2.9
119.08607	2.0
123.04395	2.5
123.11696	1.4
128.06209	2.5
129.06967	3.2
131.04912	2.1
137.05954	3.8
139.03909	14.5
141.06963	2.8
144.05676	3.2
145.06482	5.9
147.04382	2.8
147.07982	1.9
152.06203	1.8
153.05458	1.9
153.06995	4.9
155.04866	2.0
155.08530	2.9
157.06476	5.4
159.08063	6.8
160.08833	6.0
161.05954	5.9
161.09584	2.8
165.06987	4.2
165.09096	1.5
167.03374	6.3
167.08554	4.0
168.05684	4.7
168.38809	1.2
169.06453	3.6
169.14532	1.3
173.05984	2.7
175.07477	3.4
178.07782	3.8
179.08548	7.2
181.06456	7.5
182.07298	4.1
183.04266	2.0
183.08005	3.9
185.05901	7.0
185.09683	1.8
187.07564	6.3
188.08345	7.7
189.07092	1.8
189.08989	3.6
195.08067	7.4
196.05219	4.5
196.08835	3.2
197.05977	4.3
197.09633	4.2
198.06763	16.9
199.07458	3.4
200.08372	3.4
205.06496	2.1
206.07288	3.2
206.09343	1.8
207.08008	7.2
208.08815	3.0
209.05986	3.7
209.09633	1.8
210.06798	5.3
211.07564	9.2
211.11172	4.7
212.08218	3.1
213.05501	6.5
213.09097	3.9
221.09599	3.4
223.07516	8.3
224.08340	5.5
225.05399	3.4
225.09091	3.8
226.06276	8.7
227.07022	5.1
228.07809	4.9
235.07504	4.2
236.08267	2.2
237.05469	4.0
237.09074	1.8
238.06200	4.2
238.09898	9.6
239.07031	23.6
239.10631	14.0
240.07924	8.6
241.04999	5.9
241.08551	14.0
243.06534	14.6
249.09149	3.8
251.06989	2.1
252.07806	5.7
253.04890	2.6
253.08498	9.9
253.12225	5.4
254.05751	2.4
255.06512	4.0
255.10191	1.8
256.07297	17.5
256.11072	2.7
258.08881	2.0
266.09357	1.8
267.06631	5.6
267.10141	32.5
268.07324	23.2
268.10538	2.2
269.08090	28.5
270.08661	2.5
271.06851	1.7
271.09723	7.8
271.13120	6.7
281.08029	4.1
281.11746	4.7
283.09512	1.8
284.06808	4.5
284.10406	10.8
285.11209	1.8
286.08347	6.2
295.09674	12.9
296.10406	10.6
299.09109	100.0
299.12756	19.2
309.10876	2.4
312.09967	1.6
313.10724	27.1
327.12283	70.5
345.13278	46.8
345.20227	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.2
55.05536	1.5
57.03413	1.1
60.04520	3.8
61.02904	1.1
67.05481	1.1
69.03420	3.0
70.89149	1.6
70.89501	2.2
71.04996	1.2
81.03401	1.7
83.04957	1.1
84.04491	1.2
85.02906	16.6
91.05482	1.5
95.27494	0.9
97.02895	4.8
107.04955	100.0
127.03899	2.4
129.09172	1.1
145.04939	4.3
147.08057	1.7
163.11163	1.7
164.11520	2.2
165.09122	17.5
180.08675	2.6
182.05247	1.5
299.63818	1.1
344.24301	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	345.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12122	0.8
52.60018	0.9
55.27784	0.8
55.52413	0.8
56.05016	1.0
56.96555	1.6
69.03446	1.0
72.08146	2.1
83.06103	1.2
83.92192	0.7
84.08131	1.0
85.02903	1.9
86.03572	0.9
93.07021	1.0
95.06065	1.9
97.02905	0.8
98.97585	2.0
104.04990	0.8
105.03391	1.3
105.05751	1.3
106.06564	1.2
111.05578	6.8
120.04500	3.9
123.04383	1.1
124.04955	0.8
125.05972	1.0
126.06622	4.0
132.04456	35.6
132.08084	2.0
133.05244	0.9
134.06007	7.4
134.90044	0.9
137.04704	3.7
137.05981	7.9
140.08244	0.8
149.05956	0.8
150.05478	5.3
151.06158	16.0
158.23132	0.9
159.05586	1.1
161.05948	0.8
163.03909	1.9
177.00548	0.9
183.06522	1.1
184.88940	0.8
192.95683	1.1
194.06740	4.4
202.09744	2.2
203.05318	1.7
203.08231	2.1
206.72600	0.9
216.11234	1.5
219.01894	1.0
230.09180	2.3
231.07611	3.1
232.10812	2.6
237.02821	0.9
242.09261	6.1
254.06813	0.9
255.05154	1.0
257.10342	6.3
259.11893	14.5
284.11487	6.6
287.11020	11.2
301.14053	1.6
302.12457	22.3
327.12274	2.4
345.13046	100.0
345.15091	47.5
346.13193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
56.96568	1.4
57.03439	1.6
61.02922	1.5
65.03969	0.9
67.05516	0.6
69.03436	4.4
70.06593	0.8
71.04964	1.0
71.61073	0.9
71.61485	0.7
71.89693	0.7
73.02910	1.7
81.03419	1.8
85.02908	18.5
86.09698	0.8
87.04457	0.8
89.06021	1.4
91.03942	0.8
91.05476	5.2
95.04932	0.7
97.02888	4.9
98.97572	3.4
99.04426	0.9
109.02876	1.6
116.98623	1.6
119.04944	19.7
123.04433	3.3
127.03907	4.0
137.06012	0.7
145.04945	3.7
147.04413	100.0
148.04761	0.7
158.99602	1.3
163.03905	2.4
165.05487	47.2
180.08627	1.0
181.04980	0.8
182.05440	0.9
191.07030	0.9
203.07034	1.2
212.53053	0.6
234.06314	0.7
240.60713	0.7
291.56412	0.7
306.04391	0.7
313.10815	1.0
344.13770	2.2
360.09445	1.2
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
57.03425	1.3
58.00053	1.3
61.02918	2.2
69.03429	3.6
70.92464	2.2
77.54159	1.0
81.03473	1.1
85.02905	15.5
89.88048	1.0
91.05470	5.7
94.04613	1.0
95.04994	1.1
97.02901	4.8
99.04476	1.5
112.24023	0.9
119.04958	20.3
123.04424	2.9
127.03935	3.8
145.04944	3.7
145.49860	0.9
147.04408	100.0
160.77626	0.9
165.05479	54.0
170.69534	0.8
178.82996	0.9
179.77882	0.9
180.08701	1.8
203.06979	1.3
261.95633	1.0
291.08728	0.9
311.00568	0.9
328.32660	0.9
344.13525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
56.96568	1.4
57.03439	1.6
61.02922	1.5
65.03969	0.9
67.05516	0.6
69.03436	4.4
70.06593	0.8
71.04964	1.0
71.61073	0.9
71.61485	0.7
71.89693	0.7
73.02910	1.7
81.03419	1.8
85.02908	18.5
86.09698	0.8
87.04457	0.8
89.06021	1.4
91.03942	0.8
91.05476	5.2
95.04932	0.7
97.02888	4.9
98.97572	3.4
99.04426	0.9
109.02876	1.6
116.98623	1.6
119.04944	19.7
123.04433	3.3
127.03907	4.0
137.06012	0.7
145.04945	3.7
147.04413	100.0
148.04761	0.7
158.99602	1.3
163.03905	2.4
165.05487	47.2
180.08627	1.0
181.04980	0.8
182.05440	0.9
191.07030	0.9
203.07034	1.2
212.53053	0.6
234.06314	0.7
240.60713	0.7
291.56412	0.7
306.04391	0.7
313.10815	1.0
344.13770	2.2
360.09445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1023
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
53.03929	0.5
56.68305	0.3
56.96543	0.3
57.03431	0.4
59.04999	0.6
61.02921	0.4
69.03428	2.3
70.06587	0.8
70.97026	0.7
73.02931	0.4
81.03396	1.2
83.06097	0.3
85.02902	4.3
86.09685	1.0
87.04475	0.5
91.03944	0.3
97.02890	1.4
98.97582	1.2
103.07587	0.6
105.85229	0.3
109.02866	0.5
116.98604	0.4
124.07581	0.3
127.03899	0.9
132.10194	0.3
134.03635	0.6
134.04626	8.9
141.66768	0.3
147.04393	1.3
150.06660	0.4
151.03938	0.4
152.05656	1.2
163.03911	1.6
164.07079	1.0
165.02332	3.3
165.05530	0.7
165.11247	1.0
167.02594	0.9
182.04964	100.0
183.05159	0.9
323.83145	0.3
344.10190	24.9
344.13657	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24822	4.5
55.05503	19.3
57.03429	7.7
57.07065	11.2
62.91554	5.3
67.05506	38.6
69.03391	5.3
69.07054	39.7
71.04960	5.0
71.27444	7.8
72.48927	4.1
72.80969	4.4
79.05492	30.7
81.06635	8.0
81.07059	100.0
83.04963	6.0
83.08604	10.8
85.06553	25.9
91.05476	25.1
93.07053	48.3
95.04957	12.5
95.08604	81.0
97.06527	10.1
97.10120	8.5
99.08089	11.0
99.49110	4.3
105.07040	38.7
107.08592	39.3
109.06541	8.2
109.10153	42.7
111.08083	6.6
111.11744	5.1
119.08566	31.9
121.10119	33.7
123.11723	22.1
125.09531	5.6
125.43015	4.9
131.08566	15.6
133.10139	22.1
135.11726	31.4
137.05968	16.7
137.09570	5.5
137.13237	9.1
138.06337	5.8
139.11134	4.8
145.10110	11.0
147.11681	15.7
149.13304	23.4
151.07588	5.3
159.11655	13.4
161.06006	7.6
161.13298	12.4
163.11221	6.5
163.14864	9.1
165.12750	5.4
167.96034	5.5
173.13173	7.2
175.14803	7.6
177.16455	10.3
181.04955	17.9
181.08510	7.1
189.09097	9.0
189.16290	5.2
213.05426	4.3
265.08936	5.2
269.07977	5.0
271.24237	7.8
275.28445	4.5
277.25336	12.1
285.07504	4.8
289.25211	11.5
293.10599	4.7
295.26465	5.2
299.12936	4.6
307.26352	5.4
311.12662	6.1
343.11676	33.9
343.15210	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57059	2.3
55.05511	20.5
57.03448	2.2
57.07057	9.2
65.03928	2.5
65.16389	2.1
67.05506	73.9
69.07066	31.3
70.73983	6.3
71.04975	6.5
71.08629	2.5
79.05482	29.3
81.07058	100.0
83.04962	2.6
83.08615	13.1
83.52247	2.0
84.58862	2.0
85.06522	6.3
91.05473	12.4
93.07044	28.8
95.08607	89.7
96.08923	2.3
97.06519	7.2
97.10157	8.2
99.08092	2.9
105.07026	12.6
107.08595	25.2
109.10158	40.6
111.08057	6.0
112.72198	2.1
117.07011	3.9
119.08588	18.5
121.10136	27.6
123.08013	3.1
123.11715	22.2
131.08572	9.8
133.10172	11.8
135.11699	20.7
137.09624	4.1
137.13248	14.9
139.11124	2.6
145.10101	8.5
147.11693	11.4
149.13223	9.5
151.11084	2.9
151.14795	3.8
153.12737	2.8
159.11671	7.8
161.13228	14.2
163.14778	6.7
165.12695	5.1
165.86639	2.1
173.13249	8.9
175.14827	5.0
179.14313	5.7
187.14790	5.3
189.16350	5.7
205.15898	2.9
207.17468	3.4
209.15369	3.5
215.17952	3.2
242.50432	2.3
243.21069	12.0
243.23277	2.3
248.25644	2.0
261.22141	27.6
279.23193	83.4
297.24170	5.0
307.26257	3.0
325.29062	3.1
329.48581	2.4
343.22372	5.5
343.26141	4.2
343.30222	11.9
343.37665	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.1
55.86551	3.9
57.07064	4.6
63.47497	3.6
66.01283	4.0
67.05502	40.4
69.03408	6.9
69.06765	3.9
69.07073	43.5
70.81602	5.8
71.04987	5.8
77.27294	4.0
79.05490	27.0
81.07056	100.0
83.08609	15.3
85.06525	9.5
91.05479	17.7
93.07042	49.9
95.04958	11.2
95.08036	7.7
95.08606	91.1
95.09218	4.3
97.06524	5.1
97.10152	14.8
99.08073	4.4
105.07041	23.4
107.08610	31.1
109.10158	44.1
111.08080	6.5
111.11707	8.9
117.06979	8.7
119.08589	18.0
121.10173	25.1
123.08112	6.5
123.11723	21.8
131.08563	10.5
133.10120	18.7
135.11685	27.8
137.05939	6.0
137.13235	7.2
139.11188	5.8
145.10112	12.4
147.11650	15.6
149.13293	18.6
151.11134	4.8
151.14816	5.5
153.12753	4.7
155.10614	4.5
159.11676	7.2
161.13258	9.8
163.14804	6.0
165.12752	5.8
173.13194	6.2
175.14856	9.1
175.76691	3.5
181.04834	4.5
189.16307	6.9
201.16319	5.0
259.24246	4.3
271.24243	13.2
277.25226	6.1
289.25204	24.3
307.26340	15.6
325.27283	7.5
343.11743	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47564	5.2
55.05501	17.7
57.07081	5.5
62.12773	3.8
64.47363	3.8
67.05504	37.2
69.07067	31.4
69.48580	11.1
69.48990	19.5
71.04961	4.5
75.19627	3.9
77.77122	4.0
79.05495	25.2
81.07060	89.7
83.08617	22.7
85.06541	6.5
91.05469	22.1
93.07050	55.2
95.04955	9.7
95.08041	7.2
95.08607	100.0
97.06534	6.7
97.10152	9.6
100.11257	38.1
105.07027	26.5
107.04920	5.5
107.08585	32.9
109.06484	6.7
109.10152	52.2
111.08059	7.6
111.11687	4.6
119.08564	23.6
121.10130	18.8
123.08079	7.4
123.11697	18.2
129.07031	5.0
131.08539	15.5
133.10081	21.5
135.11671	19.6
137.06006	9.2
137.09570	6.4
137.13292	8.3
139.11197	6.7
145.10155	9.0
147.11655	14.1
149.13257	20.8
157.06519	4.8
159.11639	7.8
161.05937	6.4
161.13300	10.9
163.11182	5.0
163.14838	8.0
165.12759	6.3
165.16301	4.7
167.07018	11.8
173.13275	8.6
175.14845	10.3
181.08559	14.9
187.14828	7.0
189.09123	22.8
189.16373	7.4
209.16699	6.3
271.24191	11.4
277.25281	6.8
289.25143	24.7
307.26294	12.3
325.27390	8.7
343.11752	8.7
343.15631	6.8
343.30737	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.8
67.05493	22.0
69.06715	6.9
69.07072	100.0
69.69116	5.0
69.69471	39.7
71.04982	6.3
71.08607	6.3
75.50094	5.0
79.05487	21.2
81.07064	82.1
83.04995	7.0
83.08618	17.5
85.06527	14.5
91.05466	11.9
93.07067	32.2
95.08600	52.0
97.06596	5.7
98.20744	7.1
99.08104	15.5
101.06055	7.6
105.07026	18.8
107.08597	15.5
109.06521	8.4
109.10155	30.6
109.37058	5.7
111.08101	9.1
111.11729	30.8
116.81729	5.5
118.82813	6.6
119.08580	14.3
121.10139	24.7
123.08083	6.4
123.11697	17.7
125.09614	7.5
127.11198	6.6
131.04910	10.2
133.10147	14.2
133.28267	6.1
135.11684	15.4
137.13301	8.6
139.11165	24.6
145.10165	9.4
158.02657	5.2
176.23370	6.0
257.08121	14.5
285.07706	8.7
300.09897	9.8
307.26373	14.2
315.12314	7.5
343.11749	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	9.1
55.01868	6.9
55.05514	25.2
56.96560	6.8
57.03429	10.4
57.07070	9.3
59.05004	8.5
65.03947	3.8
67.05505	44.5
69.01756	3.4
69.03425	10.7
69.07065	10.6
69.63873	11.8
69.64299	12.4
71.04983	20.3
78.14837	3.2
79.05491	29.9
81.07065	52.0
83.04971	4.2
83.08610	6.8
85.06548	8.9
90.76582	3.1
91.05475	39.0
93.07050	95.0
95.04974	62.2
95.08607	100.0
97.06529	20.6
97.10166	8.6
103.05523	3.7
105.07037	91.2
105.07744	4.7
106.03220	3.2
107.08597	70.8
109.06519	14.1
109.10191	16.3
115.05457	12.2
117.07021	36.9
119.08586	38.7
121.06503	17.7
121.10148	29.5
123.08064	25.9
123.11703	7.7
125.05944	3.9
128.06218	4.3
129.06992	7.2
130.07782	13.2
131.08592	19.0
133.06500	5.2
133.10147	30.2
135.08060	26.7
135.11679	22.5
137.09618	5.9
142.07816	5.2
143.08569	19.5
145.10129	94.8
147.08076	15.3
147.11694	9.4
149.09622	4.7
149.13263	9.1
151.07536	46.7
153.09091	6.5
155.08562	4.4
157.10129	11.2
159.08017	5.2
159.11687	12.1
161.09666	11.0
161.13231	6.4
163.11185	63.7
163.14839	7.0
165.09119	23.0
171.11720	7.4
173.09663	6.8
173.13281	14.7
175.11137	5.3
175.14880	6.2
177.09128	6.2
183.11710	5.6
187.11243	7.6
187.14830	6.8
189.12747	10.8
191.14360	8.4
195.11684	4.1
201.16341	4.6
203.14288	8.9
217.12178	3.4
219.13770	5.6
221.15331	26.7
233.15257	6.1
240.23244	6.8
241.15910	4.1
263.16382	11.2
286.19095	4.3
297.25687	12.9
315.15091	3.5
321.60513	3.7
325.21512	9.1
343.11920	4.8
343.18665	13.3
343.22562	83.7
343.26263	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.43877	3.4
53.03932	5.1
54.56908	3.6
55.01860	7.7
55.05510	23.0
57.03427	7.5
57.07061	8.7
59.04998	5.3
60.97926	3.6
67.05195	3.9
67.05502	31.5
69.03415	9.5
69.07056	11.4
71.04993	25.0
71.31552	5.1
79.05495	31.5
81.03378	4.3
81.04619	3.4
81.07053	46.0
83.04951	6.3
83.08606	9.3
85.06533	4.7
91.05478	41.5
93.07043	78.5
95.04364	3.8
95.04967	65.7
95.08040	6.2
95.08607	99.7
97.06514	15.4
97.10162	4.0
105.07031	87.7
107.04955	4.6
107.08591	63.4
108.05704	3.9
109.06532	19.4
109.10151	11.1
111.08085	4.2
115.05442	6.4
117.07017	35.0
119.08570	43.6
121.06518	13.1
121.10133	24.2
123.08076	31.0
123.11732	4.3
125.09555	5.3
129.06979	9.6
130.07767	17.4
131.08574	17.1
133.06487	6.1
133.10118	23.2
135.08043	28.9
135.11682	18.9
137.05991	7.4
137.09604	9.5
142.07726	6.5
143.08539	15.5
145.06487	3.5
145.10109	97.8
147.08028	15.6
147.11662	8.5
149.09610	6.3
151.07529	56.2
153.09120	5.6
155.08524	4.8
156.09355	4.0
157.10129	12.3
159.11702	10.1
161.09644	9.5
161.13184	4.8
163.07562	4.0
163.11176	67.2
165.09113	22.3
165.63133	3.4
169.10136	8.3
171.11649	9.6
171.45091	3.7
173.09631	7.3
173.13208	5.3
175.11275	5.1
175.14920	4.5
177.09103	4.5
181.12267	4.3
183.11629	5.2
187.11166	8.5
189.08998	6.5
189.12750	14.1
191.14259	6.5
199.14757	4.4
201.12611	4.3
203.14313	12.0
207.13795	6.3
209.15381	5.0
221.15350	37.9
223.14987	5.1
233.15385	5.8
263.16605	6.3
269.15375	5.0
286.19260	4.5
287.16629	4.6
325.21594	13.4
343.18729	7.1
343.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.68008	2.1
53.03937	7.3
55.01855	7.1
55.05517	18.2
56.96556	3.7
57.03429	8.3
57.07060	8.5
59.04997	5.0
67.05222	2.5
67.05508	30.4
69.03417	14.0
69.07062	9.2
71.05000	18.5
75.42123	2.1
79.05497	29.1
81.03423	2.7
81.07056	38.6
83.04976	3.9
83.08621	3.9
85.06535	7.3
90.11084	2.2
91.05476	37.7
93.07048	76.8
95.04972	51.8
95.08613	88.1
97.06531	18.5
98.27206	2.3
103.05456	2.8
105.07038	84.8
107.08594	58.6
109.06522	16.3
109.10155	10.9
111.08087	3.3
115.05466	6.5
117.07036	29.3
119.08590	34.1
121.06532	14.9
121.10142	20.6
123.08076	29.0
125.05920	2.9
128.06212	4.6
129.06999	7.5
130.07785	16.5
131.08604	13.6
133.06470	5.6
133.10117	19.7
135.08075	23.9
135.11739	15.4
137.09637	5.1
142.07771	4.7
143.08559	15.2
145.06485	5.7
145.10130	100.0
147.08051	15.6
147.11667	8.1
149.09612	7.6
151.07549	48.5
153.09087	5.3
155.08449	2.6
156.09380	4.4
157.10133	11.8
158.42506	2.5
159.08009	3.5
159.11711	9.0
159.70584	2.7
161.09628	10.4
161.13272	6.5
163.11186	66.7
165.09120	18.3
169.10106	4.6
171.11678	8.8
173.09660	6.5
173.13315	3.6
173.71251	2.3
175.11142	5.9
175.14928	2.8
177.09134	6.8
179.07086	3.4
179.10713	3.0
181.12320	2.6
182.10988	3.2
183.11649	4.6
185.13206	4.1
187.11220	8.3
187.14789	3.7
189.09125	3.0
189.12740	13.9
191.14246	3.6
193.10013	2.5
197.13284	3.7
201.12749	4.9
203.14313	9.4
207.10136	6.0
207.13811	9.6
209.15291	4.9
213.12790	2.3
215.10616	2.6
215.14406	4.8
217.12242	3.6
221.15376	35.6
223.14828	3.3
233.15358	3.9
240.23294	4.5
247.97691	2.9
263.16452	7.9
286.19318	4.7
307.20761	3.9
309.86850	2.8
325.21548	14.1
343.11783	5.3
343.18640	3.4
343.22687	78.4
343.26361	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03927	4.1
55.01857	8.9
55.05510	19.3
56.96574	6.3
57.03426	8.0
57.07061	14.4
59.05000	5.6
60.42670	3.1
67.05502	29.7
69.03422	8.9
69.07055	11.4
70.66164	11.4
71.04993	18.0
79.05489	24.8
81.03416	4.8
81.07057	47.2
83.08630	6.9
85.06542	6.0
86.78010	4.0
91.05485	35.0
93.07048	62.2
95.04976	44.0
95.08604	85.1
97.06522	19.0
97.10159	4.1
99.04481	3.9
105.07042	71.6
107.04947	8.6
107.08590	56.1
109.06505	12.7
109.10139	19.1
111.04469	4.8
111.48702	4.4
115.05431	6.8
117.07040	27.8
119.08591	33.7
121.06507	14.4
121.10137	26.2
123.08094	27.3
123.11683	10.8
124.90711	4.9
128.06204	7.0
129.06992	6.4
130.07768	13.6
131.08609	10.5
133.06522	7.8
133.10127	20.6
135.08058	27.9
135.11685	19.5
137.09610	9.1
137.13127	4.1
142.07820	4.2
143.08560	12.7
145.10124	80.2
147.08022	11.9
147.11681	9.1
149.09607	4.8
151.07541	36.9
153.09076	8.2
156.09406	5.3
157.10138	11.1
159.08063	7.0
159.11671	11.1
161.09608	11.6
161.13234	4.2
163.11191	55.4
165.09100	15.8
171.11647	10.9
173.09625	5.6
173.13234	7.3
175.11209	6.4
177.04446	3.5
177.09065	6.7
179.06970	4.4
181.10095	5.8
187.11237	5.0
187.13335	4.7
187.14833	4.4
189.12814	12.2
191.14217	5.5
193.34039	3.6
197.13260	3.9
199.11072	4.8
199.14786	4.4
203.14307	5.8
207.13937	5.8
209.13255	5.0
221.15303	29.5
233.15337	4.7
240.23216	8.4
241.15878	5.3
263.16397	5.4
286.19327	6.1
307.20264	4.3
315.23941	4.7
325.21542	12.4
343.11746	9.7
343.19357	4.7
343.22693	100.0
343.26288	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01861	2.2
55.05506	1.9
55.17273	0.8
56.96563	1.4
57.03418	2.9
57.07078	1.4
61.02924	4.5
62.79807	0.8
67.05498	1.3
69.03433	14.6
69.07059	2.2
71.04977	3.2
71.11522	1.9
73.02907	2.5
79.05503	4.3
81.03417	5.8
81.07059	10.0
83.04977	6.4
85.02905	34.5
86.09679	1.1
87.04453	2.7
91.03943	1.3
91.05472	4.5
93.07047	11.0
95.04974	19.3
95.08603	1.7
97.02900	11.0
97.06518	3.1
98.97562	1.2
99.04420	1.6
105.07047	8.2
107.04956	9.0
107.08604	11.0
107.81103	0.9
109.02884	3.5
109.06484	2.0
111.07998	1.0
115.05476	1.0
117.07018	3.2
119.08595	5.3
121.06481	3.9
121.10139	13.5
125.05991	10.2
127.03922	8.5
129.06995	1.4
130.07756	3.4
133.10092	0.9
135.11699	6.5
137.05939	1.9
143.08597	1.4
145.04980	8.3
145.10130	19.0
147.08003	2.1
161.09616	1.4
163.11188	100.0
165.09167	2.5
167.07072	1.3
175.11240	1.5
181.04953	3.0
181.12233	20.2
183.10150	1.1
205.12273	2.0
212.04541	1.0
222.98445	1.0
223.13217	2.0
271.72055	0.8
291.50735	0.8
295.76993	0.9
325.16599	1.2
343.13699	1.9
343.20724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
50.92538	1.6
53.03937	3.0
55.01867	2.0
55.05506	2.4
65.03940	2.6
65.90616	1.7
67.05489	6.5
69.03422	3.9
69.07053	3.0
69.56364	7.1
69.56796	5.3
70.06585	5.6
70.25829	1.6
71.04975	2.4
71.31682	1.5
79.05129	1.4
79.05501	12.5
81.03413	4.0
81.07053	10.9
81.13146	1.4
85.02934	2.4
85.06530	4.9
91.05479	21.3
93.07044	12.9
94.04202	3.7
95.04973	4.5
95.08592	10.2
97.94656	1.7
98.20761	3.9
98.97565	2.9
99.08121	1.6
102.04686	5.1
103.05470	19.5
105.03422	2.7
105.07037	16.4
106.04173	1.9
107.04953	33.6
107.08581	7.1
108.52383	1.7
108.66766	1.5
109.06526	4.0
109.10112	3.7
115.05473	11.1
117.07011	5.9
117.95583	1.6
119.04926	4.0
119.08556	4.1
121.06507	4.7
121.10144	4.1
122.03650	3.9
122.07273	7.0
123.04459	1.9
123.08107	3.1
125.05997	2.9
129.06985	4.0
130.04167	8.1
131.04944	18.1
131.08540	4.6
132.05760	2.2
133.06482	5.7
133.10153	2.5
135.08041	6.9
135.11655	1.9
137.05977	59.4
137.13313	1.8
141.06973	5.6
145.06508	2.2
145.10133	1.8
146.03583	7.9
147.04396	12.1
147.08041	4.3
149.05972	7.5
151.03918	2.0
151.07541	15.7
153.06947	1.7
157.06508	2.3
159.08015	2.3
160.05199	3.7
161.05986	51.2
161.09550	1.7
162.06770	21.0
163.07552	38.9
163.11195	3.8
164.69598	1.7
165.06952	3.5
167.07120	2.6
169.06500	5.1
171.44180	1.5
173.09657	4.0
174.06818	3.4
175.07571	50.0
177.09099	10.5
178.07730	2.3
179.08546	5.8
181.04965	15.8
181.06473	3.6
181.08531	8.7
181.12199	3.7
189.07062	2.2
189.09085	5.0
190.07774	5.0
191.10661	1.8
193.08607	2.8
194.07272	4.1
195.08064	2.4
201.09116	5.7
202.87666	1.6
203.08673	2.8
205.06482	3.9
205.10092	8.2
207.08118	4.5
209.05994	1.8
209.09583	2.5
211.07588	2.6
215.08553	2.3
218.07285	4.7
219.08154	2.5
219.10115	18.0
221.05981	6.2
221.09622	3.6
222.06746	7.8
223.07483	3.0
224.08328	4.1
225.08981	2.4
232.83318	2.0
233.05978	4.8
233.09634	12.2
234.06726	3.2
235.07552	9.5
236.08249	3.4
237.05458	2.1
237.09085	11.2
237.12668	2.6
239.07103	2.9
239.10617	2.9
241.08653	2.5
249.05405	2.6
249.09103	3.6
250.06296	5.9
250.09895	6.8
251.07124	5.4
251.10825	4.2
252.07886	3.0
253.08691	3.3
254.09383	4.5
261.09064	7.7
262.09683	1.8
263.06992	3.7
264.07965	3.9
265.08597	23.4
265.12198	7.1
267.06555	1.6
267.10110	8.6
269.08063	9.5
269.11234	1.6
278.09366	4.5
279.10190	2.4
281.08047	2.8
281.11908	1.9
282.09045	7.8
283.13226	2.7
284.10379	8.4
289.18005	3.3
291.03973	2.5
293.11707	23.7
294.12573	1.9
295.09598	5.7
296.10242	2.1
297.11298	44.4
297.14767	7.8
299.09808	1.7
299.12787	44.4
310.11920	7.0
311.12778	100.0
312.13123	2.2
313.14102	2.7
325.14313	29.1
343.11676	5.4
343.15274	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.03938	2.3
55.01880	3.6
55.05499	4.0
57.64342	2.1
60.94353	2.0
67.05505	6.1
69.03427	5.0
69.07049	3.9
70.70894	7.3
70.71267	3.2
71.85558	2.1
73.02903	3.4
73.92781	2.1
75.32844	2.2
78.36102	2.0
79.05489	11.5
81.07051	9.8
83.04986	4.0
85.02897	4.1
85.06568	2.8
91.05485	20.9
93.07055	8.9
94.04168	1.9
95.04964	5.1
95.08605	9.4
97.02899	2.4
98.97611	2.6
102.04703	2.5
103.05472	21.7
105.03411	2.8
105.07034	13.5
107.04955	33.6
107.08604	6.1
109.06490	3.8
109.10172	14.9
115.05471	10.5
117.06980	4.9
119.04983	3.2
119.08586	7.0
121.06516	6.6
121.10156	3.7
122.03654	5.6
122.07294	5.5
123.04453	3.8
123.08028	3.9
128.06223	3.6
129.07031	10.2
130.04149	6.5
131.04932	25.2
131.08566	3.4
132.05785	3.2
133.06506	9.1
133.10129	5.2
135.08069	6.4
135.11719	10.3
137.05983	78.6
137.09631	5.9
140.74052	2.0
141.07001	7.6
143.04951	2.5
145.06535	3.4
146.03647	11.4
147.04388	9.8
147.08035	6.0
149.05966	7.6
151.03886	5.1
151.07536	14.7
153.05460	2.8
157.06506	5.9
157.10164	2.2
158.07327	2.9
160.05125	2.3
161.05988	55.8
161.09633	2.2
162.06755	21.3
163.07552	43.2
163.11195	2.6
165.07004	5.4
166.06334	2.2
167.07034	8.5
169.06514	7.0
171.08118	2.4
173.09608	4.1
174.06804	6.6
175.07559	55.1
175.14816	7.2
177.09145	11.3
179.08554	7.1
181.04935	9.2
181.06421	3.8
181.08592	23.3
181.12091	2.1
186.18980	2.2
189.09090	20.3
190.07721	3.6
191.08691	2.7
193.15880	8.8
194.07292	5.9
195.08078	4.2
197.05913	3.4
201.09119	4.8
202.07785	2.4
203.08575	2.7
205.06534	5.2
205.10117	8.3
205.11919	2.7
207.08060	8.1
209.09695	5.7
211.07518	4.3
211.16985	6.1
215.08688	4.2
218.07233	4.5
219.08195	4.0
219.10202	14.5
219.82925	2.1
221.06015	6.1
221.09653	3.6
222.06808	8.4
223.07658	4.0
224.08278	5.0
225.09137	2.5
233.06026	5.0
233.09647	16.0
234.06880	3.2
234.10455	3.7
235.07513	9.9
236.08339	3.8
237.05373	3.2
237.09084	14.6
237.12709	2.7
239.07214	2.5
239.10648	5.0
241.37282	2.1
246.06702	2.2
249.05513	2.5
249.09152	2.8
250.06253	4.7
250.10011	5.7
251.07014	3.9
251.10794	5.2
252.07735	2.7
253.08640	3.9
254.09351	7.9
261.09174	13.1
262.09717	2.8
263.06927	2.6
264.07590	2.3
265.08640	30.7
265.12180	8.6
266.08954	2.5
267.06659	3.6
267.10226	11.8
269.08063	7.6
278.09326	3.7
279.10150	5.8
281.08084	3.6
282.08917	17.2
283.09729	4.4
283.13297	6.1
284.10425	11.2
293.11768	24.4
295.09866	4.9
297.11285	51.6
297.14734	8.4
299.09818	1.8
299.12805	49.3
307.26950	2.0
310.11938	5.7
311.12772	100.0
325.14371	29.6
343.11798	8.5
343.15475	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28606	1.1
50.80600	1.1
57.03433	6.8
61.02914	2.7
65.23391	1.2
69.03425	5.3
69.03784	1.2
69.51597	1.6
69.51999	8.9
69.56077	1.2
71.04991	1.5
71.08643	3.2
72.35130	1.0
73.02933	1.4
79.05489	1.4
81.07053	3.9
83.05001	1.7
85.02902	15.8
85.10210	1.0
91.93899	1.1
97.02895	5.1
98.20692	2.1
98.97599	2.9
99.08091	16.9
107.98375	1.4
109.02856	1.3
109.06528	3.8
117.09134	100.0
117.80887	1.3
117.92280	1.1
123.04438	1.7
124.04742	2.1
127.03918	2.3
127.07552	5.0
134.03227	1.4
135.04378	1.4
145.04970	2.1
158.99724	1.3
162.05571	2.8
163.03912	3.7
163.09674	12.1
179.03401	9.8
179.53873	1.4
180.03731	11.0
193.93001	1.2
212.55983	1.1
243.08899	1.5
257.62189	1.4
269.79306	1.5
331.06552	1.4
342.11511	2.6
343.13629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.07077	8.0
58.06584	0.9
62.05822	0.3
62.06097	3.4
69.07081	0.4
69.65781	1.7
71.08628	4.3
72.08141	1.0
74.06081	0.4
81.07034	0.3
85.10185	0.8
93.07030	0.4
95.08578	0.4
98.21468	0.6
122.10352	0.4
141.82068	0.3
149.90804	0.3
156.17503	1.6
174.18546	5.2
184.52631	0.3
202.21584	0.3
212.23717	1.1
230.24791	4.1
324.36209	0.9
342.37308	100.0
343.37573	1.2
343.75146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	57.1
57.07076	57.8
67.05505	24.5
69.07066	100.0
69.63951	23.6
71.04982	4.3
71.08640	35.7
79.05489	9.4
81.07058	64.5
83.08623	81.9
85.06557	8.2
85.10196	16.2
91.05473	6.0
93.07040	20.8
95.04965	3.5
95.08604	58.8
97.06508	13.5
97.10168	51.1
98.21431	5.4
101.06006	3.5
102.15158	3.5
105.07014	18.1
107.08584	19.3
109.06530	6.4
109.10149	32.3
111.08064	10.3
111.11719	32.8
115.07560	11.0
119.08563	17.6
121.10157	18.0
123.08031	4.8
123.11674	12.0
125.09615	5.8
125.13220	12.1
127.07558	4.2
129.09105	6.2
133.10115	12.0
135.11655	13.5
137.13219	8.6
141.09108	5.9
145.10106	5.1
147.11668	14.2
149.13243	9.7
151.11145	9.7
151.14807	3.5
153.12704	3.8
155.10657	3.7
161.13245	13.5
163.14870	7.7
165.12749	13.4
169.12209	3.5
175.14838	5.0
177.16391	5.6
179.14262	18.1
183.13771	4.0
189.16374	8.1
191.18037	4.2
193.15921	6.9
207.17523	3.8
236.28032	4.1
263.27222	5.5
287.27228	8.3
305.28354	8.2
341.26700	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	341.2111
Annotation	Microferin
Peak:m/z	Relative Intensity
53.03941	3.3
53.78793	0.9
55.01863	3.4
55.05505	4.9
56.37941	0.9
57.03459	2.2
57.07067	4.8
59.05000	2.8
63.75725	1.0
65.03929	1.3
67.05508	10.5
69.03420	4.5
69.07066	6.3
71.04990	1.6
71.62268	1.2
79.05483	9.2
81.03420	2.0
81.06625	1.9
81.07057	17.7
81.68289	1.0
83.04958	1.2
83.08614	2.6
83.60634	1.0
85.02930	1.1
85.06545	6.1
91.05474	13.0
93.07047	23.4
95.04971	28.2
95.08614	11.9
96.64489	1.0
97.02907	1.1
97.06536	3.4
100.11237	2.4
103.05457	2.9
105.07032	39.6
107.04933	2.6
107.08598	10.3
109.06525	6.0
109.10171	6.2
115.05430	1.9
115.98576	0.9
117.07014	4.7
119.04951	1.1
119.08590	15.0
121.06508	11.2
121.10161	6.6
122.03615	1.3
122.07273	1.4
123.08084	8.7
123.11705	2.0
125.09669	1.1
128.06223	4.4
128.12073	1.1
129.07021	4.4
130.07780	1.1
131.04936	1.8
131.08575	10.6
133.06529	7.7
133.10124	19.6
135.08046	6.0
135.11646	3.6
137.05989	10.0
137.09613	1.8
141.06976	1.7
142.07759	2.2
143.08572	9.4
144.09283	2.0
145.06465	2.8
145.10143	9.0
146.07318	2.0
147.08076	6.1
147.11751	2.3
149.05989	1.7
149.09639	4.4
151.07527	10.0
153.06989	1.5
155.08556	4.5
156.09389	3.3
157.10161	7.1
159.08063	4.1
159.11716	5.5
161.05984	2.7
161.09630	16.4
161.13280	3.0
163.07677	1.1
163.11220	1.6
165.06984	2.0
165.09062	6.1
166.07880	1.2
167.07126	1.9
167.08574	3.2
168.09355	1.7
169.10175	4.7
170.10899	1.1
171.07954	1.3
171.11719	5.8
173.09631	4.1
173.13242	3.3
174.06590	1.4
175.07532	2.9
175.11209	3.1
175.14729	1.1
177.09155	3.3
178.07770	1.4
179.03394	1.2
179.07095	1.8
179.08502	1.7
179.10667	1.7
180.09366	1.8
181.10098	4.2
181.40068	1.1
182.15306	1.3
182.78932	1.1
183.11713	3.8
185.09615	2.7
185.13333	1.9
187.07568	2.5
187.11031	1.5
187.14760	1.7
189.09142	2.3
189.12746	3.2
191.08629	1.9
192.09334	1.3
193.08594	2.6
193.10152	2.2
194.10986	1.3
195.11697	4.4
196.12450	1.5
197.09694	1.6
197.13226	5.3
198.10547	2.1
199.11282	3.2
199.14833	1.6
203.08455	1.2
203.14345	2.4
206.10963	1.4
207.11710	3.3
207.13823	2.9
209.09808	1.8
209.13170	1.8
211.07733	1.0
211.11189	1.4
211.14848	2.6
213.12810	5.0
215.14354	1.3
217.08569	1.9
217.12329	1.8
221.13252	3.3
221.15431	3.7
223.11115	2.2
224.11967	1.5
225.12669	2.4
229.15974	1.1
233.15504	1.1
237.12634	1.6
239.14401	2.8
241.12257	1.3
257.15338	3.4
262.00665	1.0
265.08649	1.6
267.13721	2.9
271.09781	1.1
281.11673	2.2
281.18866	1.9
285.14865	6.8
291.10129	2.0
295.12976	1.2
295.20569	4.0
295.23892	1.0
299.20145	1.5
305.24759	1.4
309.11157	2.9
312.20767	2.0
313.21359	2.3
323.12839	2.0
323.20132	3.5
341.13968	5.9
341.21140	100.0
342.21323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
54.16013	2.4
55.05493	9.9
57.03441	4.2
67.05499	9.7
69.03415	7.3
69.07056	7.8
70.00359	10.9
71.18159	2.5
73.02930	2.7
75.04446	3.4
76.87836	3.0
79.05495	29.7
81.07057	24.7
83.04972	4.2
85.02885	3.8
85.06532	6.4
88.87130	2.7
91.05453	18.4
93.07043	79.4
95.04960	10.6
95.08619	15.7
97.02888	2.8
98.97565	3.8
99.04428	3.1
100.11244	5.8
103.05468	26.6
105.07036	18.5
107.04958	5.2
107.08586	24.4
109.06462	4.6
109.10155	8.7
111.04393	3.9
111.08073	7.2
119.04954	3.5
119.08557	5.8
121.02953	2.7
121.10139	100.0
121.11015	4.9
123.08122	3.9
123.11771	5.5
124.07600	6.5
131.04929	38.8
131.08597	3.9
133.02841	22.4
133.06461	5.4
133.10156	4.4
135.11673	4.4
137.05974	49.7
139.11182	5.5
145.10077	4.1
147.04425	5.5
149.05988	4.2
149.09598	6.2
149.13272	5.7
151.07587	6.3
152.08276	8.3
161.05981	9.1
162.06635	3.4
163.07533	37.0
165.05548	4.5
167.07001	6.3
167.10680	18.5
173.13240	3.2
175.07513	5.5
177.05511	3.9
177.16383	3.8
179.03474	4.8
179.07109	3.0
187.07550	10.9
189.09085	5.3
191.07019	3.4
193.08640	3.7
198.51163	3.0
202.07909	3.3
217.08516	6.0
219.08084	7.6
220.08696	3.2
231.07930	5.0
234.06628	3.4
236.08345	3.2
248.08334	6.8
249.09242	6.4
265.08597	8.7
266.09344	3.1
271.09579	5.5
276.07925	3.1
277.08713	3.7
279.10156	3.1
281.11707	4.1
291.10211	10.0
295.09781	3.3
308.10706	3.4
309.11203	12.1
311.12701	4.6
323.09030	3.6
323.12805	8.3
341.10184	3.6
341.13766	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05499	4.6
56.96552	1.1
57.03442	1.5
57.07048	1.4
65.03920	1.6
67.05489	3.4
69.03413	2.5
69.07055	4.9
69.48224	9.4
71.04972	4.5
77.03929	1.4
79.05492	4.7
81.07051	12.5
83.08602	3.9
85.06525	1.3
91.05465	7.9
93.07047	3.9
94.04185	1.8
95.04951	3.4
95.08600	7.2
97.06535	1.7
98.20731	1.9
99.08055	1.5
100.11265	5.0
103.05473	3.4
105.07051	2.2
107.04952	3.4
107.08581	4.6
109.06525	2.0
109.10188	5.8
111.04461	2.4
115.05437	3.4
117.07046	2.6
118.14348	1.2
119.04933	2.7
119.08596	2.4
121.06458	1.3
121.10132	2.8
122.03646	8.7
123.11677	2.2
123.68460	1.1
128.06255	1.4
129.07025	8.2
131.04924	4.6
131.08574	2.5
133.02872	7.0
133.10167	1.5
135.11674	3.1
137.05977	100.0
139.11148	1.5
143.04895	2.2
143.08560	1.4
144.05736	3.2
145.06461	2.8
147.04417	3.3
147.08066	2.0
147.11656	1.6
149.05977	4.4
149.09599	1.6
151.03844	2.9
151.07549	8.3
151.11200	1.3
153.05466	1.3
157.06490	4.8
160.05208	5.4
161.05989	4.0
162.06793	2.9
163.03914	1.3
163.07510	3.5
165.05476	4.8
167.06950	1.5
168.05673	1.7
171.61623	1.2
172.05191	6.0
174.06766	8.0
175.03954	1.2
175.07552	19.5
177.05476	8.7
177.09079	4.9
179.06993	3.4
179.08429	1.4
187.07558	38.1
188.08061	1.2
189.09129	14.0
190.07799	1.4
191.08542	3.4
196.05211	6.0
197.05927	2.1
199.07552	3.6
202.07790	3.7
203.08577	12.1
205.06557	2.3
205.08466	1.8
207.06386	1.4
207.08121	1.7
211.07556	20.1
213.05432	4.8
217.08577	11.1
218.07285	2.4
219.08057	8.1
220.08847	6.7
221.09593	3.1
225.05339	1.4
227.07091	7.2
228.07848	2.9
231.08070	12.9
232.08830	4.0
233.05963	3.2
233.09502	1.4
234.06810	1.6
235.07533	2.3
236.08362	2.4
237.09138	4.3
239.07027	12.6
240.07819	12.3
247.07565	7.0
248.08315	21.6
249.09082	4.4
250.06177	2.5
251.07108	1.5
251.10580	2.9
253.08450	2.5
254.09430	1.7
255.06422	4.1
256.07294	8.9
259.07544	6.3
260.08148	2.1
261.09180	2.9
262.09833	1.7
263.10690	17.4
264.07700	3.2
265.05978	1.4
265.08417	6.9
268.07431	2.7
269.08005	1.5
270.09012	7.7
271.09634	43.6
276.07840	9.7
277.08481	5.5
277.22913	2.2
279.06668	1.3
279.10147	7.7
280.10910	3.2
281.08063	2.1
283.09686	7.9
291.10141	53.0
292.10809	2.6
293.08008	5.2
295.09485	1.5
296.10315	6.1
297.11194	4.2
308.10312	4.2
309.11148	3.4
311.12766	10.9
313.14243	3.5
323.12787	29.8
324.67316	1.2
341.09839	2.8
341.13797	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.66954	2.0
55.05501	3.5
59.41482	1.9
65.31130	2.1
67.05482	6.4
69.03411	2.5
69.07056	7.0
69.38772	5.8
69.39178	12.9
71.04981	4.2
71.72298	2.2
78.00247	2.0
79.05478	5.1
81.07053	15.3
85.06522	4.2
86.17146	1.9
91.05457	7.8
93.07029	6.9
94.04196	5.0
95.04965	5.2
95.08638	11.0
98.21539	5.0
103.05479	3.3
105.07010	3.9
107.04928	4.1
107.08549	8.9
109.06532	4.1
109.10145	6.9
117.07033	2.6
119.08581	3.6
121.10117	6.5
122.03640	9.3
123.11677	4.3
128.06216	3.1
129.06992	6.8
131.04906	3.4
131.08510	2.5
133.02846	7.7
133.10123	12.9
135.04384	2.1
137.05978	100.0
137.09599	4.6
143.04889	3.5
144.05684	4.3
145.10094	2.8
147.04442	2.6
147.11696	2.9
151.07530	5.4
157.06490	3.5
160.05067	5.1
162.06793	5.4
163.07500	5.2
165.05440	6.4
168.05705	2.9
172.05135	4.7
174.06737	7.0
175.07516	16.3
177.05461	6.9
177.09145	2.0
179.07028	2.7
183.77757	2.5
187.03886	3.1
187.07539	35.6
189.09131	13.1
191.08632	5.3
196.05115	7.7
202.07808	6.1
203.08533	15.9
205.08484	3.7
211.07541	16.7
213.05551	3.3
217.08623	13.7
219.08063	7.3
220.08786	7.9
221.09486	2.6
224.08319	2.7
227.07024	18.9
228.07686	2.8
231.08051	13.2
233.09505	2.7
237.09070	3.9
239.07080	12.0
240.07776	13.0
241.05000	3.3
241.08572	2.3
247.07532	6.0
248.08342	23.9
251.10617	5.8
253.08502	3.2
255.06502	13.9
256.07281	11.4
259.07489	3.4
261.09177	3.5
263.10706	19.5
264.07794	2.7
265.08578	6.8
268.07275	3.1
269.29739	2.8
270.08862	25.1
271.09656	41.8
276.07718	13.3
276.16977	2.2
277.08475	6.4
279.10028	11.2
281.08084	2.8
281.11481	2.5
283.09579	11.2
291.07028	4.2
291.10165	60.2
292.10977	2.6
293.07980	8.7
296.10446	5.4
297.11349	4.4
304.88309	2.4
308.10394	7.0
311.12726	8.4
313.14301	3.4
323.12772	36.9
341.13953	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
57.07095	1.6
65.03927	3.0
67.05484	8.1
69.03374	2.0
69.07043	6.5
71.04977	3.6
74.89548	1.7
79.05499	4.3
81.07047	11.3
84.82433	1.6
85.02853	2.0
85.06577	10.5
91.05456	8.3
93.07026	6.9
94.04142	3.7
95.04961	4.2
95.08607	10.4
97.06522	2.6
98.21585	3.2
98.97578	2.5
99.08052	3.9
103.05451	5.6
105.06997	5.0
107.08582	6.1
109.06506	4.8
109.10124	6.1
111.04418	2.1
115.05425	2.8
117.07011	2.6
119.04958	4.3
121.10138	6.2
122.03622	8.9
123.11688	3.7
125.09592	2.7
127.95046	1.7
129.07005	7.7
131.04907	8.1
131.08592	3.1
133.02855	7.7
133.10127	3.9
135.11678	2.5
137.05974	100.0
143.08495	2.2
144.05638	4.8
144.31183	2.0
147.04419	2.3
147.11699	2.4
149.05977	5.0
151.03882	3.7
151.07559	7.6
151.11160	4.0
157.06464	5.2
159.04439	4.8
159.11763	2.5
160.05174	3.7
161.06050	3.3
161.09587	1.7
162.06807	2.7
163.07520	7.5
165.05438	5.3
171.08095	1.7
172.05200	4.4
174.06718	8.5
175.07538	16.8
176.08270	1.9
177.05469	7.6
177.09142	3.3
179.07056	3.3
180.07890	2.2
185.05995	2.2
187.03925	12.3
187.07530	36.7
189.09111	15.5
191.08600	3.4
191.14224	2.3
196.05176	5.0
197.05943	2.9
199.07570	3.3
202.07809	3.7
203.08586	15.2
205.06554	2.1
209.15326	2.3
211.07510	19.3
213.05469	4.1
217.08595	16.3
219.08044	7.9
220.08850	9.1
221.09506	2.4
225.05460	2.2
226.83206	1.8
227.06998	5.0
228.07759	2.4
231.08122	12.6
232.08946	2.8
233.05925	2.0
235.07526	3.9
237.09117	2.6
239.07001	12.4
240.07764	9.5
241.05046	2.0
247.07462	5.9
248.08356	24.8
249.09122	3.2
250.06049	2.0
251.06992	2.0
251.10648	5.1
253.08659	3.6
254.09383	2.3
255.06425	6.4
256.07291	7.7
259.07523	5.9
261.09128	3.2
263.10660	18.3
265.08655	6.5
270.08859	6.7
271.09647	44.4
276.07813	11.4
277.08575	5.5
279.10132	10.3
281.11703	4.9
283.09613	7.5
291.10138	60.3
292.10916	2.8
293.08047	5.5
296.10455	6.0
297.11273	4.1
305.11627	2.0
305.24677	2.0
308.10422	5.8
309.11063	2.7
311.12671	9.3
313.14249	2.1
323.12802	29.5
341.10315	4.0
341.13901	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.87587	0.2
61.02912	0.7
67.31410	0.3
69.03430	0.6
70.84608	0.8
73.98453	0.2
75.70856	0.2
79.37765	0.2
80.37290	0.2
81.03400	0.3
85.02905	1.9
89.03912	0.4
90.37855	0.2
97.02879	0.9
105.03354	0.3
109.02853	0.3
117.03325	0.4
117.87172	0.2
123.04436	9.8
133.02855	8.6
135.04416	1.5
151.03912	3.5
179.03397	100.0
180.03741	0.5
319.70822	0.3
341.08661	0.9
351.09332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13719	0.3
54.07261	0.3
64.23269	0.3
69.03392	0.5
70.84494	0.6
70.84850	0.4
75.20647	0.4
81.03413	0.3
85.02887	0.6
86.69209	0.3
89.03904	0.6
95.04925	0.3
97.02906	0.3
105.03388	0.7
109.02887	0.4
110.79165	0.3
113.46313	0.3
117.03350	0.7
120.02083	0.3
123.04425	12.2
127.80222	0.3
133.02852	10.7
135.04417	1.5
151.03914	4.4
179.03387	100.0
180.03706	0.6
270.17151	0.3
341.12079	0.4
354.55969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
53.03943	0.3
55.01853	0.3
56.96560	0.6
57.03421	0.6
61.02932	0.9
69.03431	2.6
69.66917	0.8
71.05002	0.2
73.02907	0.3
76.59948	0.2
79.05499	0.4
81.03431	0.9
84.75305	0.2
85.02907	6.0
87.02742	0.2
87.04436	0.4
91.03946	0.5
91.05483	0.3
93.07027	0.4
93.96445	0.2
95.04971	0.2
97.02898	1.9
98.21526	0.3
98.97578	2.2
99.04469	0.4
100.11256	0.2
104.05000	0.9
107.04950	0.3
107.30453	0.2
109.02888	0.9
116.98637	0.5
121.10152	0.2
122.05988	0.4
123.04412	0.2
123.41651	0.2
127.03930	1.3
130.48936	0.2
131.30762	0.2
132.04457	5.7
132.05969	0.2
134.99602	0.2
137.05963	0.4
145.05013	0.9
151.25984	0.2
153.52373	0.2
158.99724	0.6
160.03893	0.2
167.07036	0.9
170.99643	0.2
177.00690	0.4
178.04996	100.0
179.05339	0.9
181.04800	0.3
184.67300	0.2
187.07475	0.3
237.02740	0.2
261.09378	0.2
270.32413	0.2
319.09402	0.5
319.59708	0.5
322.11969	0.2
328.09784	0.5
328.60065	0.4
340.10333	0.7
340.14313	0.2
340.26089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.5
56.96556	9.5
57.07074	15.5
59.04996	3.1
67.05505	35.8
69.03413	3.3
69.07068	62.1
71.04975	3.0
71.08630	3.5
71.61777	4.6
77.03967	2.7
79.05493	18.5
81.03403	2.9
81.06573	5.2
81.07053	90.2
83.08616	34.8
85.06544	7.5
85.10186	3.3
87.60861	2.4
91.05476	9.1
93.07050	21.5
95.04969	4.8
95.08604	100.0
97.06524	9.9
97.10152	23.9
98.97603	12.7
99.08078	3.6
105.07039	17.5
107.04972	2.8
107.08595	25.8
109.06472	5.9
109.10162	51.8
111.08107	6.3
111.11721	25.3
115.07539	6.0
116.98622	9.5
119.08565	17.3
121.06472	3.1
121.10152	20.3
123.08099	7.3
123.11696	33.8
125.09661	3.5
125.13277	14.4
127.07536	4.1
129.09128	5.2
131.08583	4.8
133.10129	17.5
133.54451	2.5
134.99648	3.6
135.08040	5.7
135.11684	19.1
137.09625	6.8
137.13269	22.3
139.07530	4.1
139.14825	3.1
145.10141	8.0
147.11678	16.1
149.09586	2.9
149.13235	8.6
151.11163	9.1
151.14792	7.0
157.10107	5.4
159.11717	7.2
161.13274	12.9
163.14784	4.8
165.12674	12.5
169.12245	7.8
171.11671	4.3
175.14789	5.8
179.14337	8.7
179.17906	5.9
183.13792	8.7
187.14865	4.0
189.16467	3.8
193.15964	5.2
195.13773	7.2
197.13274	4.5
197.15331	5.0
197.91582	3.0
203.18016	4.6
207.17339	4.1
221.19008	4.8
229.19530	3.6
265.21451	4.8
274.97607	13.9
285.25858	6.2
292.75726	2.7
292.98413	6.2
303.23389	2.6
303.26663	4.3
321.27908	22.6
339.23013	10.2
339.27036	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
53.03959	1.3
55.05511	14.6
57.03450	2.3
57.07077	18.7
59.05001	2.9
67.05511	20.2
69.03403	1.4
69.07070	32.4
69.07446	1.7
69.58887	3.4
69.59297	3.4
71.04990	3.6
71.08636	18.0
74.82487	1.0
79.05490	9.8
81.07060	100.0
83.04993	1.4
83.08626	14.1
83.68454	1.2
85.06532	2.6
85.10180	10.3
91.05467	3.4
93.07053	18.8
95.04945	1.3
95.08610	70.3
97.06526	3.7
97.10162	8.7
98.20805	2.1
99.04467	7.6
99.08099	1.4
105.07038	8.3
107.08600	16.0
109.06532	4.7
109.10166	14.1
110.10483	1.2
111.08094	2.7
111.11717	5.5
119.08591	3.9
121.10138	11.1
123.08080	6.4
123.11711	20.4
125.09619	2.3
125.13263	1.2
125.62920	1.2
126.04262	1.0
127.07559	3.0
131.08566	2.6
133.10136	9.9
135.08075	1.2
135.11710	11.0
137.09650	1.3
137.13258	23.0
139.07500	2.3
139.11249	1.2
144.09247	1.0
145.10126	3.8
147.11688	7.4
149.13268	25.3
150.83716	1.1
151.11192	12.6
151.14809	3.1
153.09090	1.9
155.14331	5.3
159.11659	5.9
163.11275	1.8
165.12753	1.3
167.14407	1.7
169.15923	1.6
173.13278	1.6
177.12750	6.4
195.13890	6.2
197.50473	1.1
201.12869	1.1
201.16508	1.4
223.20558	2.6
232.67664	1.1
275.27335	1.6
285.25790	2.6
293.28427	5.1
303.26953	7.1
311.50763	1.1
321.27902	47.1
339.23077	1.3
339.29205	19.4
340.39911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.05509	22.9
57.03428	3.0
57.07074	62.6
67.05501	14.5
69.06716	1.9
69.07069	30.6
71.04980	1.7
71.08632	64.3
71.36319	3.2
79.05492	9.9
81.07059	45.7
83.04986	1.8
83.08620	14.7
85.06553	2.2
85.10188	1.3
87.04449	1.4
91.05473	7.2
93.07046	18.8
95.08607	37.9
97.06524	3.2
97.10152	8.1
99.08102	9.5
105.07031	24.4
107.08598	24.2
107.09288	2.6
109.06511	6.1
109.10146	12.6
111.08110	7.9
111.11722	3.1
113.13290	5.0
117.07010	3.3
119.08579	21.9
121.06498	3.0
121.10141	30.1
123.08073	11.6
123.11717	11.0
127.07553	3.8
131.08575	7.3
133.06468	2.2
133.10123	11.1
135.08020	3.1
135.11703	10.1
137.09621	4.7
137.13249	7.5
141.12700	3.5
144.09378	1.7
145.10124	16.4
147.11690	35.9
149.09592	2.4
149.13243	7.8
151.11145	8.9
151.14784	2.2
157.10112	2.3
159.11678	8.7
159.13786	1.6
161.13239	7.0
163.11182	3.9
163.14835	15.1
165.12723	8.6
169.10115	2.5
171.11647	3.1
173.13246	4.4
175.11203	8.7
175.14827	3.9
177.12746	5.8
187.14743	2.0
189.16486	2.5
191.17979	2.4
193.15828	1.8
193.19458	2.5
197.13272	1.9
201.16417	1.4
205.19412	2.2
211.20642	2.5
219.20831	1.4
223.14749	2.3
223.20566	3.7
259.33325	1.3
275.27353	6.9
279.21188	1.6
283.16913	56.9
285.25851	11.3
293.22739	2.9
293.28391	22.2
303.26782	16.0
321.27887	100.0
339.23151	24.4
339.28885	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01863	8.1
55.05498	23.7
56.96550	15.9
57.07078	31.4
67.05514	51.2
69.07066	37.6
69.58870	14.6
69.59281	24.4
70.06582	6.3
71.08627	18.9
75.49114	5.5
79.05484	18.0
81.07057	84.9
83.04992	31.1
83.08604	21.2
85.02899	8.1
88.07623	10.1
91.05460	8.1
93.07044	41.1
95.04962	8.2
95.08605	72.4
97.06532	7.1
97.10171	11.7
97.90388	5.2
98.97572	26.4
105.07053	31.2
107.08593	27.9
109.06500	8.3
109.10152	35.5
111.04443	55.7
111.11702	6.2
116.98649	12.7
119.08575	27.4
121.10146	26.4
123.08081	12.8
123.11693	19.8
125.05971	11.6
128.70773	5.8
129.05461	7.7
131.08543	15.3
133.03494	7.5
133.10130	13.8
135.08069	7.8
135.11691	22.8
139.07544	7.3
143.08580	12.7
145.10117	13.4
147.11662	13.2
149.02338	21.3
149.13263	15.9
153.09140	6.5
157.10144	7.6
159.11760	14.8
161.02982	5.4
161.13272	16.5
171.11632	13.9
173.13307	8.4
175.14816	10.1
185.13300	6.0
193.05002	38.9
197.13206	12.8
199.14825	8.6
201.16281	6.2
206.83528	5.5
224.65639	18.6
256.26239	6.6
258.15613	11.4
265.25363	9.0
274.97479	23.6
275.23630	5.6
281.22488	6.7
292.98575	10.3
293.24872	14.4
295.08792	6.9
303.23169	15.2
321.24298	58.2
321.27710	9.2
333.24808	8.8
334.25598	5.8
339.18701	9.4
339.23090	27.3
339.27515	100.0
339.34146	9.3
339.77859	16.8
357.18979	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01866	5.2
55.05511	54.2
57.03410	5.7
57.07072	33.2
65.03919	5.4
67.05499	64.3
69.07071	64.2
71.04984	6.2
71.08639	10.2
71.10771	13.0
71.30074	4.3
78.23368	5.2
79.05494	46.7
81.07053	97.2
83.04996	7.5
83.08616	43.4
85.10141	5.4
91.05479	22.5
93.07050	48.6
95.04967	8.7
95.08601	100.0
95.15879	5.0
97.02910	9.6
97.06550	9.1
97.10159	22.0
98.97565	5.4
105.07018	14.4
106.07424	6.0
107.08583	54.8
109.06529	6.9
109.10149	51.6
110.03750	5.7
111.08072	7.8
111.11781	4.9
117.07003	9.3
119.08588	18.7
119.44849	6.0
121.06471	8.4
121.10132	46.2
123.08108	7.7
123.11701	16.2
125.05977	11.2
129.07112	5.4
131.08568	15.9
133.10139	19.6
135.08038	11.9
135.11714	38.2
137.13258	9.2
139.07518	8.7
145.10159	10.2
147.11685	15.2
149.09624	10.7
149.13255	23.3
153.09157	9.2
153.12827	6.4
159.11684	8.7
161.13194	5.5
163.11121	13.2
163.14854	15.7
167.10649	5.7
171.11696	7.2
177.12791	9.5
177.16402	13.9
181.12297	5.0
191.14317	12.0
191.17926	7.2
193.04939	9.4
195.13748	5.6
209.15311	7.5
224.65770	5.4
247.24248	7.7
256.26480	6.9
269.11786	4.9
274.97366	9.2
275.23758	12.2
277.25357	5.6
277.98590	5.3
283.17194	11.6
303.23352	11.0
321.24277	8.1
321.28140	9.4
339.25079	64.6
339.28629	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.96555	1.0
57.03444	0.6
57.07072	1.1
61.90411	0.5
64.56985	0.5
67.05505	2.9
69.03428	1.1
69.07068	4.0
71.05003	0.9
71.62120	0.7
75.96704	0.5
79.05492	3.1
81.03407	0.8
81.07065	7.0
83.04979	1.1
83.08627	1.6
85.06563	0.8
91.05481	2.0
91.13640	0.6
93.07050	3.1
95.04965	1.4
95.08614	4.8
97.06523	2.0
97.10168	0.9
98.97604	1.0
101.64825	0.5
103.45854	0.5
104.07360	0.6
105.07027	2.1
106.95883	0.6
107.08591	2.6
109.06508	1.4
109.10133	3.2
111.04430	0.8
116.98633	1.2
119.08645	2.6
121.06493	0.8
121.10144	2.1
123.08034	0.7
123.11699	1.9
125.09682	0.7
131.08577	1.3
133.10129	1.7
135.08041	0.9
135.11671	1.3
138.13779	0.5
143.08559	0.7
145.10121	2.0
147.03337	0.6
147.11682	1.2
149.13258	0.7
149.73129	0.7
152.29459	0.6
155.08546	1.0
157.10146	1.0
159.11736	1.2
161.13232	0.7
169.10098	1.0
171.11627	0.7
183.11740	0.7
184.31528	0.6
197.13239	0.7
201.00720	0.6
207.11734	0.7
213.16333	0.6
227.10860	0.8
229.09192	0.7
239.10770	0.7
241.01933	0.7
242.74474	0.7
274.97394	1.0
298.99814	0.6
321.21188	0.6
321.28314	0.7
339.17807	100.0
339.21063	3.8
340.18127	0.6
357.17728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.66425	0.6
55.05508	0.7
56.96552	1.4
62.30038	0.6
65.03936	1.9
67.05489	1.0
69.03421	1.5
69.07046	0.7
71.04961	0.8
71.33932	1.1
79.05494	1.3
80.35593	0.6
81.03419	1.0
81.07043	2.1
83.04964	1.3
83.08609	0.5
84.96031	0.7
85.02893	1.4
91.05479	14.0
93.07053	1.4
95.04999	0.8
97.02888	1.8
98.97613	2.7
107.08625	1.0
110.06055	1.4
113.27316	0.5
116.98645	0.6
119.04087	1.4
119.04944	26.8
122.06069	1.5
135.11813	0.6
137.05991	0.6
140.07024	0.9
147.04402	100.0
148.04800	0.6
149.06010	0.8
154.08615	0.8
165.05548	0.9
177.05487	2.5
181.04987	1.3
181.06471	1.4
191.04910	1.0
219.02869	2.1
221.06032	1.0
237.05455	1.8
247.04108	1.0
247.07481	0.7
249.05385	0.7
251.06964	1.0
253.58574	0.8
261.03998	1.1
265.05072	1.4
279.06461	0.7
279.09842	0.7
285.07977	0.6
293.04477	4.2
293.07822	1.2
311.05545	1.5
311.09073	1.2
321.04068	4.0
339.05075	4.1
339.08588	1.3
339.14471	1.8
344.10126	0.9
358.07901	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	338.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.7
59.74761	6.6
69.03424	18.1
71.22366	13.9
73.02924	12.5
85.02905	39.9
96.75928	5.9
97.02864	20.2
98.20662	6.5
98.48511	5.6
101.00887	9.9
120.02016	7.0
127.03901	18.6
128.98616	6.1
143.01857	11.8
155.01840	7.1
156.02063	8.3
174.03120	6.6
179.03419	8.0
185.02954	6.7
218.02080	10.5
245.05040	14.6
338.09235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.55841	1.2
64.74837	1.1
65.03944	1.7
70.84396	2.8
73.07681	1.2
81.07034	1.2
83.38862	1.3
89.69234	1.1
91.05478	13.5
110.06012	1.9
119.04943	21.9
122.06040	5.7
124.07625	1.8
134.05934	1.6
136.07596	13.4
141.09711	1.2
147.04408	100.0
150.05460	1.9
152.07076	18.3
163.03909	1.5
164.07063	15.1
166.08588	1.3
170.08105	1.9
177.05438	3.8
177.97946	1.1
182.08112	4.3
206.69487	1.2
270.60272	1.1
303.13361	6.0
304.03162	1.2
321.14447	3.9
339.09894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
Peak:m/z	Relative Intensity
53.03945	2.5
54.80138	2.5
55.05500	20.1
57.07071	9.7
59.04992	4.2
67.05504	29.7
69.03428	2.5
69.07067	43.1
70.61160	4.0
70.61507	5.1
71.04987	9.7
71.08630	4.0
71.72889	2.5
73.06547	2.7
79.05494	20.4
81.07056	100.0
83.04971	4.7
83.08628	21.2
85.06534	18.6
91.05476	14.7
93.07046	34.3
95.04976	6.2
95.08603	72.6
97.06531	10.0
97.10179	7.6
98.21333	2.8
99.04466	5.3
99.08080	7.0
105.07029	29.2
107.08597	47.0
109.06522	12.8
109.10150	51.0
111.08065	6.2
111.11703	4.7
117.07034	4.3
119.08579	20.8
121.10141	30.5
123.08050	10.8
123.11705	38.9
127.07564	9.5
127.11150	4.7
131.08556	8.1
133.10121	16.5
135.11700	26.5
137.09581	4.8
137.13268	17.7
143.08498	3.6
145.10156	14.7
147.11708	22.7
149.09624	5.8
149.13266	17.6
151.11186	18.2
151.14847	3.5
153.12758	10.2
159.11740	16.0
161.13239	17.7
163.11201	3.3
163.14879	7.6
165.12776	7.0
171.11700	6.1
173.13231	6.8
175.11316	3.7
175.14726	4.4
177.12831	4.1
177.16396	7.1
185.13208	4.4
187.14923	3.3
189.16370	5.6
191.17986	5.1
193.12230	5.5
193.15855	3.7
195.13795	4.0
199.14842	5.2
203.17931	4.0
205.19557	4.3
207.13802	5.0
211.20518	2.8
213.16434	3.7
215.17952	10.4
223.17043	2.7
229.14264	2.6
237.18608	2.7
283.24130	8.3
291.26727	6.1
301.25232	16.6
319.26285	62.4
337.27353	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	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03903	2.2
55.05300	1.7
55.05512	16.6
57.07071	12.3
59.04985	2.1
65.03901	2.2
67.05163	2.2
67.05500	27.2
69.03416	3.1
69.06717	3.3
69.07066	56.8
69.98370	6.1
71.04983	6.2
71.08608	6.6
73.06524	1.7
79.05495	19.5
81.07056	100.0
83.04973	6.2
83.08618	35.3
83.39510	1.6
85.06538	7.4
88.85630	1.5
91.05476	12.4
93.07045	46.1
95.04970	3.7
95.08607	72.2
97.06531	10.9
97.10172	9.2
99.04419	10.1
99.08090	3.5
101.05955	2.2
105.07030	27.1
107.07872	2.3
107.08590	46.1
109.06518	22.0
109.09457	2.9
109.10157	48.6
111.08076	8.6
111.11729	5.6
119.08575	19.5
121.06496	3.6
121.09309	2.3
121.10151	33.3
123.08075	9.9
123.11699	34.7
125.09593	3.1
125.13265	2.3
127.07550	12.3
131.08560	3.4
133.10127	30.7
135.11688	28.8
137.09599	3.5
137.13242	24.4
139.11182	2.8
145.10120	5.3
147.11687	36.1
149.09625	4.3
149.13252	23.3
151.11179	55.0
151.14798	4.3
153.09129	3.4
153.12741	7.1
157.10107	2.7
159.11673	5.9
161.13277	12.7
163.11156	5.4
163.14775	6.8
165.12747	17.9
165.16383	3.2
167.10709	3.0
167.14330	5.7
169.12218	2.0
171.11772	3.3
173.13278	4.1
175.11176	5.5
175.14813	3.5
177.12743	4.9
177.16408	5.3
178.01189	2.0
179.10674	11.4
179.14336	3.5
179.17982	2.1
181.12210	5.1
185.13242	2.9
187.14746	2.9
189.12721	4.2
189.16338	4.9
191.17932	3.7
193.12215	20.0
195.13765	4.8
199.14822	2.7
203.17920	5.0
205.19482	6.9
207.13808	14.2
209.15445	3.0
213.16331	3.2
221.15512	2.7
221.19044	2.4
223.17017	1.8
225.14735	2.5
227.18013	2.3
229.14304	4.6
235.16902	2.8
241.08684	1.9
245.18852	2.2
249.18224	2.2
259.24338	2.6
263.20132	3.4
268.69153	1.9
273.25790	3.3
283.24261	8.0
291.26794	4.0
301.25275	12.0
319.26318	56.2
337.23721	3.0
337.27359	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05508	18.1
57.03424	2.4
57.07078	10.1
59.04994	5.0
62.49427	2.0
65.43714	2.2
67.05505	26.0
69.03435	3.1
69.06712	3.1
69.07067	43.8
70.75337	5.9
71.04988	6.8
71.08636	7.2
77.71384	1.9
79.05490	16.1
81.07057	100.0
83.04977	9.1
83.08624	18.8
85.02941	2.1
85.06561	11.7
90.69261	2.3
91.05488	13.5
93.07043	35.7
95.04959	7.6
95.08604	71.3
97.06532	10.2
97.10145	4.8
99.04467	3.9
99.08096	7.4
101.06004	2.1
105.07026	32.1
107.08590	46.7
109.06509	16.6
109.10152	35.9
111.08094	4.0
111.11720	7.7
115.07553	2.0
117.07000	3.3
119.08575	25.8
119.87867	1.8
121.10134	22.9
123.08083	9.9
123.11699	34.8
125.09589	2.9
127.07563	8.7
131.08556	6.1
133.10138	15.8
135.08047	3.7
135.11691	24.7
137.09602	3.8
137.13243	32.7
139.11162	3.8
143.08562	4.0
145.10123	9.6
147.11703	46.5
149.09615	6.5
149.13274	18.3
151.11169	20.7
151.14766	4.5
153.12694	11.5
157.10141	3.0
159.11667	7.2
161.13246	16.8
163.11134	3.4
163.14833	6.6
165.12761	24.9
171.11742	4.7
173.13266	4.2
175.11208	4.2
175.14844	5.5
177.12776	4.7
177.16364	2.7
179.10739	2.6
179.14354	3.1
181.12218	3.8
189.16391	3.3
191.18069	2.7
193.12251	22.2
193.15845	2.7
195.13861	5.8
199.14838	3.8
201.16327	2.3
203.18019	6.2
205.19476	2.7
207.13882	5.8
216.35580	2.2
219.17506	2.1
227.17892	2.7
229.14348	6.7
235.16922	2.5
245.19057	2.3
267.19992	2.2
269.41895	2.1
283.24249	5.5
291.26700	7.4
301.25357	10.4
319.23166	2.4
319.26331	56.0
337.16385	4.3
337.19965	2.8
337.23688	2.9
337.27380	31.2
343.93515	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	3.4
55.01850	1.8
55.05510	15.6
57.07067	8.6
64.73153	1.4
65.03935	1.5
65.79184	1.3
67.05500	31.9
69.03407	2.1
69.07066	31.8
70.85471	3.5
71.08631	2.8
79.05487	19.1
81.07057	100.0
83.04975	1.8
83.08617	15.7
83.29001	1.7
85.06538	12.2
91.05486	9.2
93.07045	38.3
93.88022	1.4
95.04992	3.3
95.08605	84.2
97.06538	4.1
97.10164	6.5
99.04459	2.8
101.06020	2.8
105.07024	14.4
106.74738	1.5
107.08594	41.0
108.79769	1.3
109.06489	7.4
109.10155	72.0
111.08064	1.7
111.11714	4.6
115.07559	1.9
117.06985	1.5
119.04717	1.7
119.08597	11.4
121.06486	2.5
121.10144	35.8
123.08077	4.2
123.11714	32.1
127.07561	6.2
131.08594	3.9
133.10127	11.0
135.11703	30.9
137.09639	2.2
137.13269	23.4
137.14261	3.1
139.07549	1.8
141.09160	2.3
143.08597	2.2
145.10121	6.2
147.11679	9.0
149.09613	4.3
149.13249	24.9
151.11191	7.7
151.14783	2.0
153.09103	3.8
153.12709	1.8
157.10117	1.6
159.11674	6.8
161.13248	4.1
163.03983	2.6
163.11183	3.5
163.14807	6.8
165.12807	2.5
165.16354	3.2
165.35895	1.6
167.10698	5.0
171.11693	3.1
173.13272	3.9
175.14848	1.8
177.12743	6.7
177.16344	10.4
179.17976	2.1
181.12247	4.8
187.14883	2.4
189.16458	2.0
191.14224	2.0
191.17905	6.9
195.13806	10.0
201.16342	3.0
203.17854	1.5
205.19511	8.3
207.13681	2.0
209.15332	4.2
219.17407	2.0
221.15276	2.7
223.16931	2.3
235.16992	3.1
237.18463	3.2
249.18477	2.4
259.23993	2.2
263.20111	5.1
283.24207	4.1
287.22247	1.7
291.26782	5.3
301.25140	5.2
319.26328	40.2
337.10620	2.6
337.16382	2.2
337.27435	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03935	3.5
55.01866	2.8
55.05515	30.5
56.96563	1.1
57.03187	1.6
57.03441	20.7
57.07080	5.1
65.03937	2.6
67.05508	67.5
69.03420	1.2
69.07071	43.3
69.63511	4.9
69.63929	1.6
71.04988	2.5
71.08624	3.2
71.53027	1.0
79.05060	1.1
79.05499	21.7
81.07060	76.6
83.04977	2.7
83.08133	1.3
83.08620	22.2
85.06528	2.7
85.10166	1.4
85.73812	1.1
91.05479	12.3
91.27901	1.1
93.07051	22.7
95.04971	3.9
95.08612	65.2
97.06547	6.9
97.10171	14.4
98.97571	2.3
99.08108	1.0
101.68423	1.0
105.07038	11.9
107.08605	13.2
109.06509	2.1
109.09449	2.0
109.10159	29.2
111.08112	2.5
111.11713	3.0
116.98634	1.3
119.08585	8.8
121.10159	14.5
123.08083	2.7
123.11710	8.8
125.09627	4.1
131.08574	2.1
133.10149	7.8
135.08022	1.5
135.11711	6.2
137.09570	1.6
137.13287	5.1
144.85266	1.1
145.10156	1.6
147.10664	1.3
147.11696	6.8
149.13268	4.2
149.79675	1.0
151.11125	1.3
151.14787	1.9
159.11665	2.0
161.13257	6.8
163.14804	4.5
165.16318	1.6
173.13382	1.0
175.11211	1.5
175.14815	2.6
177.16389	1.3
189.16316	1.8
208.03941	1.0
217.14503	1.3
231.79240	0.9
238.07925	1.0
245.22699	4.6
263.23740	6.4
291.19571	16.2
296.68704	1.0
303.56039	1.0
319.22714	6.1
319.26257	2.5
337.27386	100.0
338.27652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol
Peak:m/z	Relative Intensity
53.03939	5.0
55.01865	4.0
55.05513	24.2
57.03444	16.8
57.07083	8.2
59.22595	1.6
62.89859	1.6
65.03916	1.7
67.05507	71.6
69.07070	30.8
69.50505	12.2
71.04989	5.5
71.08632	4.1
79.05495	23.1
81.07058	100.0
83.04974	3.1
83.08617	20.6
85.06544	6.6
91.05479	15.3
93.07037	27.3
95.04972	11.3
95.08607	92.1
97.06519	5.3
97.10168	11.7
99.08099	2.8
105.07027	15.6
107.04961	2.5
107.08595	17.7
109.06523	4.6
109.10155	43.3
111.04472	1.9
111.08080	2.2
111.11719	3.7
119.08570	10.8
121.06499	4.1
121.10160	14.2
123.08086	2.3
123.11706	18.6
125.09676	1.7
133.10124	9.6
135.11685	10.9
137.09608	3.3
137.13248	6.8
138.10332	1.9
145.10127	3.4
147.11700	7.2
149.09624	3.7
149.13278	5.4
151.11186	1.7
151.14806	3.1
154.95610	1.6
157.10164	2.2
159.11685	2.3
161.13300	5.3
163.14824	3.7
165.12784	3.1
173.13145	1.8
175.11261	1.8
175.14810	4.4
177.16411	2.1
188.12233	1.6
190.19958	1.5
191.17970	2.1
203.18135	1.9
204.85620	1.6
258.08353	1.6
263.23752	5.1
291.26871	10.3
301.25241	6.2
309.27875	30.6
319.26334	15.4
327.41943	1.7
327.99216	1.7
337.27396	85.0
338.27844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
50.57093	4.1
52.32365	3.8
53.03932	7.5
55.05513	36.5
56.96555	14.1
57.03434	13.4
57.07077	26.6
65.03957	4.9
66.83686	4.5
67.05505	83.1
69.07064	59.4
69.65663	9.8
69.66077	24.3
71.04985	4.7
71.08616	8.6
74.40211	3.9
78.51584	4.3
79.05496	34.8
81.03426	9.0
81.07060	100.0
82.07386	4.8
83.08611	25.8
91.05477	36.2
93.07044	38.1
95.04930	7.1
95.08614	86.5
97.02885	13.0
97.06509	6.7
97.10176	14.0
98.20732	7.6
98.97563	9.5
101.06009	4.3
105.07022	39.6
107.08591	35.8
109.02874	46.5
109.10149	38.7
111.04471	10.6
111.78049	5.0
116.98589	5.6
117.06973	6.8
119.04912	4.9
119.08557	40.1
121.10155	23.4
123.04444	10.1
123.08044	6.4
123.11713	14.9
125.05905	5.5
131.08575	10.2
133.06493	12.7
133.10152	31.6
135.11674	22.6
137.09618	7.6
137.13240	6.8
143.08536	6.3
145.10112	10.6
147.08046	9.9
147.11740	24.1
149.13307	9.8
151.07547	9.9
159.11674	9.9
161.09616	4.4
161.13284	17.3
165.09196	10.0
171.11705	6.1
175.14796	9.3
179.10649	5.1
185.13173	4.6
189.16374	7.7
200.67159	4.7
215.14537	5.2
241.59889	4.2
245.22623	7.8
248.32936	4.6
258.48352	4.5
269.55789	4.3
273.21848	5.0
291.19666	4.8
291.23270	6.7
296.17856	4.7
301.21713	6.3
305.18250	8.4
316.69000	7.2
319.22687	18.5
319.26361	13.5
319.65341	5.0
337.10507	6.8
337.23688	26.7
337.27341	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	337.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05498	2.6
56.96558	3.2
57.07051	0.9
67.05515	5.6
67.05804	1.0
67.42220	0.7
69.07064	4.4
69.99941	3.3
71.04980	1.1
73.03661	0.8
79.05494	3.6
81.07061	9.2
82.36382	1.0
83.04985	1.4
83.08616	2.1
84.81681	0.9
91.05492	3.0
93.07040	5.2
93.65145	0.8
95.04965	2.0
95.08608	8.8
97.02872	1.1
97.06522	1.7
98.21400	1.3
98.97599	1.8
105.07041	2.9
107.08585	4.3
109.06516	0.8
109.10165	3.9
111.08016	0.9
117.07037	0.9
119.08558	4.0
121.06485	1.3
121.10134	4.3
123.11726	1.5
123.58607	0.9
131.08565	1.4
133.10152	2.2
135.08054	1.4
135.11687	2.7
137.09656	0.9
139.11198	1.3
143.07126	1.1
143.08540	1.1
145.10138	2.7
147.11687	2.1
149.02325	2.7
149.09595	1.5
149.13310	1.0
153.09145	1.3
157.10110	1.2
159.11731	1.4
161.13107	0.9
163.03922	1.5
163.11177	1.2
167.99794	1.5
171.11723	0.9
173.13190	1.0
183.11731	0.9
193.05045	1.4
217.09239	0.9
239.77783	0.8
241.11130	1.0
259.12329	1.1
267.12741	1.3
273.89166	1.0
291.19504	1.1
297.13824	2.8
301.21567	1.5
315.14786	3.8
319.19080	1.4
319.22702	2.2
333.15921	6.1
337.19867	100.0
337.23566	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	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54541	1.9
53.23565	1.9
55.01856	3.9
57.03435	2.8
61.02918	6.2
65.81522	1.8
67.05518	4.2
69.03432	4.7
69.58142	2.1
70.06571	2.4
71.09374	4.6
73.02898	1.9
79.05477	5.0
81.03423	3.1
83.05005	3.9
85.02912	8.1
89.03941	4.1
91.05478	4.3
93.07011	2.7
95.04978	5.0
95.08602	2.6
95.13922	2.2
97.02882	2.3
98.97602	7.5
101.02395	3.1
103.05482	15.6
105.07030	3.9
107.04956	6.4
115.05447	10.7
117.03394	7.6
117.07034	6.3
118.04171	3.9
119.04992	4.0
119.91829	2.2
122.06050	6.3
123.04413	2.6
129.07060	2.9
130.04184	3.2
131.04935	36.8
133.06529	5.5
134.03622	2.1
134.88469	1.9
134.99585	2.5
135.04439	13.4
137.05936	10.0
139.03987	3.0
139.05449	2.5
141.06996	12.6
143.04985	4.9
144.05652	2.9
145.02859	7.8
145.06479	11.4
146.03622	5.7
147.04420	9.0
148.05196	4.8
149.05974	14.7
150.05530	4.1
151.03923	7.9
155.04930	5.1
157.06500	9.1
159.04413	11.5
160.05205	9.2
161.05974	21.0
163.03906	58.2
163.05194	4.4
163.07581	6.6
165.05467	4.5
165.06972	2.9
167.07118	2.8
169.06480	22.1
171.04462	16.0
173.06029	6.3
174.03242	3.0
175.03944	9.5
175.07530	6.8
176.04681	16.5
177.05484	54.1
179.03308	2.6
179.05107	2.3
179.07048	2.9
180.10606	2.2
181.05067	3.0
183.04453	5.6
185.05980	10.0
186.06773	6.5
187.03914	13.0
187.07555	8.3
188.04755	8.2
189.01909	5.7
189.05489	21.0
190.06230	5.1
191.07031	64.3
196.05229	3.6
197.06023	15.2
199.03984	8.4
199.07364	2.5
200.04712	10.2
201.05496	6.5
201.09044	3.4
202.02586	4.8
203.03601	2.9
203.07021	21.4
204.04106	11.2
205.05008	6.4
205.08638	4.9
206.05922	3.0
207.06525	13.8
211.07657	4.6
212.04782	5.7
213.05328	10.8
214.06273	14.4
215.07076	21.0
216.04169	8.2
217.05020	23.1
217.08649	7.9
218.05843	5.2
219.06541	67.5
221.04353	11.8
221.08171	3.7
227.07106	6.2
229.05083	2.8
229.08611	23.7
231.02942	3.1
231.06523	31.5
233.08133	7.7
235.06097	4.0
241.04958	3.7
242.05777	6.0
243.06647	15.5
245.04419	13.5
245.08104	12.8
247.09724	4.9
255.06694	3.2
257.08139	14.3
259.06055	12.3
260.06848	8.9
261.07620	2.6
262.04794	4.6
263.05396	4.4
273.07620	12.6
275.09164	15.4
277.07120	22.2
291.08698	13.4
293.01578	2.5
294.05310	2.7
301.07230	6.6
309.10013	3.8
319.08188	10.1
319.12811	2.4
337.09238	100.0
337.13446	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	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.55455	2.6
69.77434	17.9
69.77761	4.6
70.82074	2.9
82.17177	2.7
104.00362	3.0
171.01199	3.6
190.84775	3.0
200.22345	3.0
264.44189	2.9
277.61664	2.9
337.08914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26036	6.9
70.19215	28.1
215.53497	7.1
337.08713	100.0
345.98975	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	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54541	1.9
53.23565	1.9
55.01856	3.9
57.03435	2.8
61.02918	6.2
65.81522	1.8
67.05518	4.2
69.03432	4.7
69.58142	2.1
70.06571	2.4
71.09374	4.6
73.02898	1.9
79.05477	5.0
81.03423	3.1
83.05005	3.9
85.02912	8.1
89.03941	4.1
91.05478	4.3
93.07011	2.7
95.04978	5.0
95.08602	2.6
95.13922	2.2
97.02882	2.3
98.97602	7.5
101.02395	3.1
103.05482	15.6
105.07030	3.9
107.04956	6.4
115.05447	10.7
117.03394	7.6
117.07034	6.3
118.04171	3.9
119.04992	4.0
119.91829	2.2
122.06050	6.3
123.04413	2.6
129.07060	2.9
130.04184	3.2
131.04935	36.8
133.06529	5.5
134.03622	2.1
134.88469	1.9
134.99585	2.5
135.04439	13.4
137.05936	10.0
139.03987	3.0
139.05449	2.5
141.06996	12.6
143.04985	4.9
144.05652	2.9
145.02859	7.8
145.06479	11.4
146.03622	5.7
147.04420	9.0
148.05196	4.8
149.05974	14.7
150.05530	4.1
151.03923	7.9
155.04930	5.1
157.06500	9.1
159.04413	11.5
160.05205	9.2
161.05974	21.0
163.03906	58.2
163.05194	4.4
163.07581	6.6
165.05467	4.5
165.06972	2.9
167.07118	2.8
169.06480	22.1
171.04462	16.0
173.06029	6.3
174.03242	3.0
175.03944	9.5
175.07530	6.8
176.04681	16.5
177.05484	54.1
179.03308	2.6
179.05107	2.3
179.07048	2.9
180.10606	2.2
181.05067	3.0
183.04453	5.6
185.05980	10.0
186.06773	6.5
187.03914	13.0
187.07555	8.3
188.04755	8.2
189.01909	5.7
189.05489	21.0
190.06230	5.1
191.07031	64.3
196.05229	3.6
197.06023	15.2
199.03984	8.4
199.07364	2.5
200.04712	10.2
201.05496	6.5
201.09044	3.4
202.02586	4.8
203.03601	2.9
203.07021	21.4
204.04106	11.2
205.05008	6.4
205.08638	4.9
206.05922	3.0
207.06525	13.8
211.07657	4.6
212.04782	5.7
213.05328	10.8
214.06273	14.4
215.07076	21.0
216.04169	8.2
217.05020	23.1
217.08649	7.9
218.05843	5.2
219.06541	67.5
221.04353	11.8
221.08171	3.7
227.07106	6.2
229.05083	2.8
229.08611	23.7
231.02942	3.1
231.06523	31.5
233.08133	7.7
235.06097	4.0
241.04958	3.7
242.05777	6.0
243.06647	15.5
245.04419	13.5
245.08104	12.8
247.09724	4.9
255.06694	3.2
257.08139	14.3
259.06055	12.3
260.06848	8.9
261.07620	2.6
262.04794	4.6
263.05396	4.4
273.07620	12.6
275.09164	15.4
277.07120	22.2
291.08698	13.4
293.01578	2.5
294.05310	2.7
301.07230	6.6
309.10013	3.8
319.08188	10.1
319.12811	2.4
337.09238	100.0
337.13446	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	2.5
55.05511	19.6
57.03181	1.6
57.03439	23.1
57.07057	4.0
65.03923	1.6
67.05505	86.1
69.07069	20.9
70.89735	2.7
71.08612	2.4
77.88627	1.2
79.05494	46.5
81.07057	80.0
83.04982	2.6
83.08618	12.7
85.06529	2.4
89.06062	2.6
91.04942	2.2
91.05479	25.3
93.07047	49.9
95.04951	4.3
95.08608	67.9
97.06516	6.0
97.10171	3.3
105.04504	2.0
105.07030	18.0
107.08596	29.9
109.06499	4.2
109.09438	2.3
109.10156	29.6
111.08076	2.6
117.06997	4.7
119.08580	16.2
121.10141	20.5
123.08054	1.4
123.11732	11.0
125.05922	1.9
125.09627	2.1
129.06985	1.7
131.08562	11.0
133.08591	1.6
133.10123	15.3
135.08080	1.7
135.11705	16.7
137.13287	2.9
143.08597	1.6
145.10107	7.3
147.11649	8.2
149.13284	7.2
151.11182	1.7
151.14868	1.9
157.10092	1.9
159.11674	7.8
161.13257	5.3
163.14803	3.5
171.11638	1.3
173.13289	6.6
175.14896	1.7
177.16393	2.1
187.14841	3.9
201.16331	1.6
243.21094	5.1
261.22226	10.5
317.24759	6.4
335.22281	4.7
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.38927	1.4
53.03941	4.1
55.05510	25.2
57.03440	20.2
57.07068	3.0
60.61148	1.9
65.03932	1.8
67.05503	100.0
69.06781	1.7
69.07068	21.1
69.63619	10.0
71.04984	2.9
73.43359	1.5
74.96147	1.6
79.05495	45.2
81.07056	88.2
83.08617	10.2
83.93008	1.5
85.06560	2.1
91.05480	22.7
93.06461	3.1
93.07045	53.4
95.04961	5.9
95.08604	69.0
97.06528	3.7
97.10156	2.9
105.07034	16.1
107.08586	26.3
109.06516	3.1
109.10161	29.9
117.06998	4.1
119.08560	9.7
121.10147	21.8
123.08073	1.9
123.11718	9.7
131.08534	8.8
133.10115	8.0
135.11682	15.9
137.09537	2.6
137.13235	2.6
139.65573	1.5
145.10127	5.0
147.11678	7.0
149.13217	5.1
159.11653	5.0
161.13200	6.1
163.14804	3.3
173.13258	5.9
175.14751	1.9
175.85487	1.5
192.05598	1.9
243.21027	4.8
261.22186	7.9
317.24847	2.0
335.25790	100.0
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
53.03949	5.0
53.09831	1.2
55.01868	1.8
55.05514	24.2
57.03188	1.5
57.03442	24.1
57.07053	3.8
65.03931	4.2
67.05505	89.9
69.03410	1.4
69.07070	23.9
71.04982	1.9
79.05492	48.8
81.03420	1.3
81.07057	79.8
83.04976	2.4
83.08616	9.3
85.06541	2.2
91.05479	24.1
93.07047	51.2
95.04994	7.1
95.08607	66.4
97.06506	4.6
97.10181	4.6
105.07034	17.7
107.04909	1.1
107.08598	26.6
109.02724	0.9
109.06511	3.3
109.10160	26.8
117.07004	3.7
119.08582	11.3
121.10146	23.5
123.08055	2.0
123.11696	10.2
131.08569	9.6
133.10147	9.8
135.07974	1.0
135.11708	13.2
137.09584	2.0
137.13263	1.7
145.10112	5.5
147.11697	5.7
149.13240	7.0
151.11134	1.0
151.14813	1.0
159.11655	5.2
161.13271	5.5
163.11252	1.1
163.14847	3.0
166.90689	0.9
173.13225	5.1
175.14810	2.4
187.14845	2.3
205.15900	0.9
229.27042	1.1
243.21078	2.4
261.22134	7.4
275.23959	1.1
291.23413	1.3
317.24887	2.5
335.25806	100.0
336.26056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28347	1.7
53.03936	6.1
55.01870	2.9
55.05303	2.8
55.05516	26.8
56.96554	2.2
57.03442	26.0
57.07062	5.7
61.73632	2.0
62.87688	2.0
65.03931	5.2
67.05507	100.0
69.07066	25.0
69.51283	13.4
70.64094	2.0
71.05008	11.8
77.53284	2.0
79.05499	53.5
81.03387	1.7
81.07059	94.6
83.04955	2.6
83.08637	12.3
85.06548	2.0
88.39908	1.8
91.05482	44.0
91.72942	1.8
93.07047	65.1
95.04974	15.7
95.08609	79.4
97.06515	6.6
97.10163	4.2
98.21494	4.2
99.08096	1.9
102.87215	1.8
105.04521	2.1
105.07037	48.2
107.08591	42.2
109.06503	6.0
109.09456	2.5
109.10159	34.3
111.08103	1.8
115.05453	3.4
117.07034	10.7
119.08582	36.3
120.67123	2.2
121.10156	25.7
123.08089	3.7
123.11714	11.1
125.09627	2.2
127.07615	2.2
128.06223	4.3
129.06990	6.6
129.29759	2.2
130.07793	2.6
131.07693	3.4
131.08578	38.4
133.10135	41.6
135.08046	5.2
135.11671	17.6
137.09616	4.4
137.13284	2.5
141.06973	3.2
142.07750	6.6
143.08562	17.5
145.10132	34.4
147.08008	2.4
147.11703	12.2
149.13303	9.7
151.11223	2.4
155.08531	7.0
156.09334	7.1
157.10143	16.2
158.10876	6.5
159.11720	15.7
161.09579	5.0
161.13245	6.4
163.14827	5.3
165.07004	3.4
167.08534	2.5
169.10100	6.9
170.10866	2.7
171.11728	15.2
173.13286	25.3
175.14827	10.4
177.12755	2.1
179.08551	4.8
181.10133	5.6
182.10922	2.3
183.11723	4.7
185.13293	7.4
187.11137	2.4
187.14880	9.6
193.10126	5.6
195.11687	7.4
196.12523	3.3
197.13278	8.3
199.14809	10.3
205.15875	2.2
206.10930	2.2
207.11685	5.5
208.12445	2.9
209.13306	4.5
211.14804	5.3
212.15596	4.5
213.12706	3.1
213.16307	2.3
220.12555	2.5
221.13258	5.1
223.14920	2.9
235.14824	4.4
237.16374	3.7
243.20998	6.0
251.18097	2.4
252.18625	3.2
261.16507	2.0
261.22232	10.0
265.19666	3.0
275.23547	2.0
277.19458	3.8
292.21854	2.8
312.52560	2.0
317.25040	3.9
335.26019	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.05494	1.6
56.96548	1.7
59.98682	0.5
61.37515	0.6
63.68282	0.6
67.05501	4.3
69.03395	0.7
69.07068	2.2
69.40847	2.0
69.41282	2.6
71.05008	0.5
73.69798	0.5
77.02877	0.5
79.05488	3.0
81.07056	6.4
83.08601	0.7
88.07597	0.5
91.05471	2.3
93.07037	3.7
95.04945	0.6
95.08624	4.7
97.06552	1.1
97.10143	0.6
98.97581	0.8
105.07033	2.5
107.08602	2.6
109.06496	0.8
109.10123	1.8
117.07037	0.7
119.08590	1.6
121.10159	1.6
122.31358	0.5
123.08037	0.7
123.11720	1.2
131.08598	0.8
133.10121	2.1
135.11700	1.6
137.06013	0.8
145.10152	1.6
147.11684	1.4
149.13315	0.9
159.11679	1.1
161.13242	1.0
171.11641	0.7
173.13251	1.0
183.11711	0.9
187.14847	0.6
243.25029	0.7
299.20279	0.6
299.23914	0.6
317.20932	2.0
317.24792	1.9
335.21933	100.0
336.22220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76969	0.9
53.03934	1.2
55.05509	5.7
56.77596	1.2
56.96550	1.5
57.03416	1.6
57.07070	1.3
64.66546	0.9
67.05505	6.4
69.03432	0.9
69.07067	6.0
70.44543	0.9
71.21701	1.7
79.05492	4.6
81.03357	1.3
81.07056	9.4
83.04942	1.9
83.08595	3.9
91.05469	3.3
93.07043	7.1
95.04958	4.2
95.08604	6.9
97.06496	1.3
97.10155	2.2
105.07013	3.4
107.04906	1.7
107.08580	4.8
109.06522	1.4
109.10149	4.8
109.46167	0.9
111.08005	1.0
117.07042	1.6
119.08565	3.6
121.10146	3.2
125.09619	1.6
131.08571	2.9
133.10120	3.1
135.08070	1.7
135.11667	1.9
143.08665	1.3
145.10085	1.7
147.11708	1.4
155.08595	1.1
159.08286	1.0
159.11664	1.7
161.13217	1.1
171.11633	1.2
173.13208	2.0
195.09985	1.7
195.11702	1.1
317.21201	1.6
328.42575	1.2
335.21924	100.0
335.25449	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01857	2.2
55.05513	15.3
56.17754	1.1
56.96556	2.9
57.03229	1.1
57.03435	12.6
57.07070	2.2
67.05505	53.6
69.03444	1.7
69.07065	12.9
69.98909	4.4
70.32001	1.2
71.05000	2.2
79.05492	30.6
81.07058	49.6
83.04978	2.9
83.08612	5.4
85.06551	2.8
91.05482	17.3
92.05846	1.6
93.07050	33.2
95.04988	6.6
95.08605	41.4
97.06523	4.0
97.10175	2.8
98.20775	2.3
104.59191	1.4
105.07045	12.4
106.50302	1.2
107.08590	19.8
109.06519	2.7
109.10152	18.4
111.04389	1.5
111.08063	2.7
117.07040	3.0
119.08572	13.6
121.10137	15.4
123.08046	1.8
123.11699	6.7
131.08586	7.1
133.10130	10.5
135.08076	1.6
135.09102	1.2
135.11716	10.4
137.09607	1.6
137.13290	1.5
145.10133	6.0
147.11684	4.5
149.13251	7.0
151.11140	1.3
157.10164	1.6
159.11711	4.9
161.13231	4.3
165.12663	1.5
171.11711	1.8
173.13220	4.9
175.14790	3.2
185.13354	1.3
187.14795	2.4
195.09955	2.2
195.11670	1.3
201.16420	2.1
243.21040	2.1
261.22131	5.0
289.21664	2.1
317.21133	6.5
317.24670	2.3
335.21872	100.0
335.25824	56.5
336.22327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88270	2.5
53.03941	8.5
55.01854	3.6
56.96561	3.7
57.03436	3.3
61.02931	3.9
65.03931	4.2
67.05503	5.5
69.03442	15.8
71.02352	6.9
71.04987	15.2
73.02924	3.3
77.98404	2.6
81.03424	28.7
82.04199	4.4
85.02483	3.2
85.02917	31.3
85.06548	5.7
89.06022	6.9
95.04976	27.4
96.84429	2.3
97.02876	11.6
97.06528	2.8
98.03671	5.3
98.97607	16.8
99.04447	6.3
105.03383	3.3
107.04960	3.4
107.48717	2.4
109.02882	14.8
113.06007	42.7
116.98618	6.8
123.04451	5.3
123.05550	8.8
127.03862	6.9
127.07585	6.1
133.02844	9.7
141.05438	34.3
147.04405	4.4
152.20599	2.7
155.07028	10.7
158.99533	2.7
163.03891	4.9
173.08105	100.0
177.00732	4.2
201.10484	2.7
219.01773	4.8
234.99055	16.7
271.10822	3.0
317.11230	13.2
335.12613	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
64.21699	0.7
65.03931	4.3
67.05507	5.1
69.07069	100.0
69.54919	1.3
69.55338	4.2
79.05499	1.5
80.05039	1.0
81.07064	7.6
81.27495	0.5
83.73388	0.7
91.05513	1.8
92.05012	4.6
93.07055	1.9
94.06565	4.6
94.59698	0.8
95.04955	0.9
95.08623	2.4
96.08124	0.7
97.06534	15.2
97.07127	1.1
98.97625	1.6
105.07039	1.7
107.08554	1.2
108.04482	1.3
109.06542	1.1
109.10181	1.4
117.06995	1.0
119.03655	0.9
119.08588	1.6
120.04494	0.8
121.05183	1.1
121.06567	1.1
121.10139	1.2
122.06033	7.7
124.07625	1.9
125.06011	1.2
128.06186	0.7
130.06554	0.8
131.07307	1.3
131.08614	0.8
132.08057	0.8
133.10173	1.5
134.06015	0.8
135.11714	0.9
137.05951	3.2
137.09648	0.9
138.05487	4.8
140.07079	7.2
141.07910	0.8
143.07475	0.7
143.08557	1.3
144.08130	2.0
145.08908	2.4
145.10152	1.9
146.09645	3.8
148.03912	4.0
150.05507	79.0
152.07101	1.2
157.08904	3.3
158.09676	1.0
159.10503	1.2
161.08369	3.3
162.09171	3.0
164.03377	0.8
166.05000	29.5
167.07312	0.8
168.06593	1.2
170.09752	1.0
172.07632	2.7
172.11201	4.4
173.08392	1.9
174.09174	2.0
174.12758	5.6
176.03430	9.8
176.04759	1.0
178.04967	1.6
182.04590	0.8
185.08443	1.4
186.07594	1.3
186.09152	0.9
188.07178	0.9
188.10786	1.7
190.08678	1.2
190.12257	4.6
192.02866	0.8
194.04512	2.5
198.07721	1.0
198.09286	1.0
200.07224	1.0
200.10739	7.5
202.12225	7.9
202.13794	0.7
204.06505	0.9
205.23453	0.7
213.10190	0.8
216.10149	3.3
218.08374	1.8
218.11763	28.2
218.13774	1.5
226.08720	1.1
228.10211	14.8
229.13446	1.8
230.11557	0.8
234.11238	3.6
243.11412	1.3
244.09764	1.9
245.12912	1.2
246.11264	25.0
255.11346	1.5
257.09351	1.5
261.08749	1.0
261.12424	0.9
271.07822	1.1
271.10712	5.0
272.09201	4.1
273.12292	3.5
274.10681	4.1
287.10263	7.0
289.11835	8.8
290.10284	1.6
299.10300	6.2
317.11356	25.2
317.14832	1.5
318.09729	1.1
335.12396	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30957	1.2
53.03935	1.9
56.96545	1.6
65.03931	4.1
65.94228	1.2
67.05499	6.6
69.03426	1.2
69.07068	100.0
69.31293	3.6
69.31715	7.6
79.05479	4.0
81.07043	5.0
85.02917	1.8
91.05457	1.3
92.04982	4.8
93.07031	3.1
94.06545	3.4
95.04982	2.3
95.08595	3.2
96.08099	2.0
97.06520	17.7
105.07036	3.7
108.04493	2.3
108.41592	1.2
109.02824	1.3
109.06506	1.2
109.10150	2.5
111.08073	1.4
115.03867	1.2
119.08579	1.7
120.04427	1.7
121.06519	1.1
121.10074	1.3
122.06031	11.2
124.07567	3.3
127.52640	1.3
128.06189	1.2
132.58849	1.2
133.10115	1.2
135.08011	1.5
137.05975	2.5
138.05487	4.5
140.07051	6.9
142.08617	1.2
144.07991	1.7
145.08859	2.2
145.10106	2.2
146.09584	2.5
147.06870	1.8
148.03899	4.2
149.09485	1.7
150.05504	91.0
152.07068	1.7
157.08856	2.4
158.09555	1.7
161.08348	3.4
162.09113	2.4
165.04140	1.3
166.05000	33.2
168.06554	2.9
171.04506	1.2
172.11162	2.5
173.08385	2.0
174.09236	2.2
174.12807	2.8
176.03407	7.5
178.05032	2.5
184.07700	1.6
186.07603	1.7
188.10725	1.9
190.12297	4.6
194.04497	4.5
198.07745	1.9
200.10689	5.7
202.12256	4.4
213.10251	3.1
215.11786	1.6
216.10190	4.5
218.11746	17.8
226.07253	2.5
227.11781	1.4
228.10139	11.6
234.11211	3.9
241.09773	4.1
243.11256	2.2
244.09526	2.8
245.12836	1.5
246.11302	15.5
255.11168	1.7
257.09198	1.5
261.12317	2.2
271.08133	1.1
271.10760	7.9
272.09155	3.0
273.12335	3.5
274.10751	3.3
287.10260	45.4
289.11844	6.5
299.10037	6.2
317.11310	33.4
317.14905	2.8
335.12433	7.8
335.15707	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	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.1
57.03430	3.1
58.24593	1.6
61.02908	2.4
67.85010	1.4
69.03427	7.3
69.59094	1.6
69.59428	11.6
70.06606	2.1
70.98095	1.8
73.02896	1.7
77.00909	1.8
81.03419	4.5
82.99840	2.7
84.96021	1.7
85.02901	10.8
86.99354	1.4
91.05469	1.8
91.65967	1.5
97.02900	15.8
98.97594	15.5
98.98474	12.1
99.04432	1.9
100.04773	1.8
101.00879	24.2
107.87388	1.7
109.02879	4.2
109.08399	2.1
110.97598	4.5
112.99133	2.1
113.00849	10.8
115.02442	4.6
116.98624	6.2
119.01920	32.2
120.08112	8.6
123.05548	39.2
124.75318	1.7
127.02433	2.8
127.03914	5.8
128.98610	6.2
129.03964	3.4
131.01917	25.6
131.05516	10.0
133.03477	4.7
134.64911	1.7
136.07588	1.9
137.00818	2.4
137.02995	3.9
137.05925	2.6
140.15652	1.5
143.00182	2.8
143.01895	73.5
144.09248	1.5
144.98088	5.3
145.01657	1.8
145.03470	10.7
146.99648	2.0
147.01393	2.1
147.03195	2.7
147.05095	2.9
149.06633	11.8
154.94170	3.0
155.01895	27.4
155.05548	1.9
157.03490	5.2
158.97455	1.8
158.99663	4.6
159.05029	5.4
160.99017	1.8
161.02959	78.0
162.03055	2.0
162.99138	3.6
163.03934	2.3
167.05597	2.1
169.03395	3.5
170.99774	2.3
171.05081	3.5
172.95238	4.0
173.03017	21.1
173.06618	28.0
175.04501	3.1
177.00711	4.5
177.06032	6.8
184.04749	1.5
185.02995	4.1
185.04865	3.2
185.06581	38.3
187.04507	2.7
187.08186	7.8
190.96292	1.9
191.07666	8.5
192.15434	1.7
197.06635	2.6
201.06062	3.0
203.03990	12.9
203.07654	17.2
205.00163	5.4
209.06589	3.0
213.05894	1.7
214.92691	1.5
214.96324	3.9
215.04045	4.7
215.07651	13.6
217.05061	2.6
217.09293	2.4
219.01807	7.0
221.05063	25.9
223.01236	6.8
223.04994	2.2
227.07594	2.5
232.93436	2.3
233.08694	4.2
234.06102	2.3
234.98950	2.9
237.02885	9.1
245.05031	3.7
247.01369	3.7
257.08835	8.3
261.03531	2.1
275.01614	2.4
275.06354	3.5
275.09775	49.1
289.05997	1.6
293.10809	100.0
309.08698	1.9
316.12631	1.7
316.99500	2.4
335.12665	39.1
353.07526	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.80367	4.2
56.96558	8.9
58.32813	4.1
70.10881	9.2
70.11254	18.9
77.90401	4.1
85.02870	5.2
95.06876	4.1
98.97588	18.8
101.00861	5.1
107.63091	4.5
110.97619	7.1
113.00875	4.7
123.05543	8.2
131.01906	6.2
143.01958	4.9
145.03464	5.4
155.01846	5.4
158.99698	8.2
173.02957	6.4
173.06644	5.7
177.00806	5.6
185.06627	7.1
201.06110	4.6
203.03897	4.9
221.05011	6.0
229.09218	6.6
230.71617	4.4
237.02820	6.6
238.24327	4.7
275.09808	9.6
277.07712	5.3
293.10809	10.9
335.07300	100.0
335.13153	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.62126	3.9
66.64201	4.7
70.19062	15.6
73.39960	4.3
84.43881	4.5
94.77955	4.0
97.36806	4.2
107.34277	3.9
124.77377	4.5
335.07343	100.0
335.11206	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	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.1
57.03430	3.1
58.24593	1.6
61.02908	2.4
67.85010	1.4
69.03427	7.3
69.59094	1.6
69.59428	11.6
70.06606	2.1
70.98095	1.8
73.02896	1.7
77.00909	1.8
81.03419	4.5
82.99840	2.7
84.96021	1.7
85.02901	10.8
86.99354	1.4
91.05469	1.8
91.65967	1.5
97.02900	15.8
98.97594	15.5
98.98474	12.1
99.04432	1.9
100.04773	1.8
101.00879	24.2
107.87388	1.7
109.02879	4.2
109.08399	2.1
110.97598	4.5
112.99133	2.1
113.00849	10.8
115.02442	4.6
116.98624	6.2
119.01920	32.2
120.08112	8.6
123.05548	39.2
124.75318	1.7
127.02433	2.8
127.03914	5.8
128.98610	6.2
129.03964	3.4
131.01917	25.6
131.05516	10.0
133.03477	4.7
134.64911	1.7
136.07588	1.9
137.00818	2.4
137.02995	3.9
137.05925	2.6
140.15652	1.5
143.00182	2.8
143.01895	73.5
144.09248	1.5
144.98088	5.3
145.01657	1.8
145.03470	10.7
146.99648	2.0
147.01393	2.1
147.03195	2.7
147.05095	2.9
149.06633	11.8
154.94170	3.0
155.01895	27.4
155.05548	1.9
157.03490	5.2
158.97455	1.8
158.99663	4.6
159.05029	5.4
160.99017	1.8
161.02959	78.0
162.03055	2.0
162.99138	3.6
163.03934	2.3
167.05597	2.1
169.03395	3.5
170.99774	2.3
171.05081	3.5
172.95238	4.0
173.03017	21.1
173.06618	28.0
175.04501	3.1
177.00711	4.5
177.06032	6.8
184.04749	1.5
185.02995	4.1
185.04865	3.2
185.06581	38.3
187.04507	2.7
187.08186	7.8
190.96292	1.9
191.07666	8.5
192.15434	1.7
197.06635	2.6
201.06062	3.0
203.03990	12.9
203.07654	17.2
205.00163	5.4
209.06589	3.0
213.05894	1.7
214.92691	1.5
214.96324	3.9
215.04045	4.7
215.07651	13.6
217.05061	2.6
217.09293	2.4
219.01807	7.0
221.05063	25.9
223.01236	6.8
223.04994	2.2
227.07594	2.5
232.93436	2.3
233.08694	4.2
234.06102	2.3
234.98950	2.9
237.02885	9.1
245.05031	3.7
247.01369	3.7
257.08835	8.3
261.03531	2.1
275.01614	2.4
275.06354	3.5
275.09775	49.1
289.05997	1.6
293.10809	100.0
309.08698	1.9
316.12631	1.7
316.99500	2.4
335.12665	39.1
353.07526	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01880	0.8
55.05516	8.5
56.05043	2.4
56.96565	2.3
57.03442	0.8
57.07079	3.1
59.11664	0.7
60.04528	100.0
61.02950	0.7
65.03935	0.8
67.05511	10.2
68.05053	1.1
69.03453	0.6
69.07069	8.1
69.49695	0.5
70.06575	0.9
71.05001	1.2
71.08633	2.1
71.40327	1.0
72.04523	3.0
73.02916	0.7
74.06075	1.4
76.36356	0.5
78.92115	0.5
79.05492	4.8
80.05039	1.3
81.03415	1.4
81.07058	13.9
81.07511	1.0
82.06594	2.0
83.05016	0.9
83.08617	12.3
84.04534	0.7
85.02914	0.8
90.05560	1.3
91.05500	2.6
93.07034	5.0
95.04977	1.0
95.08610	13.5
96.08128	0.9
97.06573	1.3
97.10168	5.3
98.06078	0.9
98.97580	1.5
98.98485	0.6
102.05554	1.5
102.71896	0.6
105.07025	2.1
106.31956	0.6
107.08594	3.2
108.08109	0.6
109.10146	5.7
111.08083	3.5
111.11718	1.0
116.07133	1.4
119.08616	2.6
120.06636	0.7
121.06460	0.6
121.10160	2.7
123.11710	1.5
125.09649	1.8
129.09117	7.6
131.36150	0.6
133.10194	1.7
135.11702	2.4
137.13254	1.2
147.11710	1.1
151.14911	0.7
159.11476	0.6
162.05357	0.6
171.10216	0.7
175.09677	2.0
189.11212	4.4
201.09683	0.7
221.22705	1.1
228.35922	0.6
239.23735	2.0
250.25430	1.3
262.25391	2.1
263.23740	0.8
268.26202	1.0
269.12439	3.5
280.26364	9.1
298.27420	16.5
316.28479	42.3
334.20792	1.0
334.29498	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.05498	4.8
56.96546	1.8
57.03433	4.1
57.99318	1.3
61.02919	4.1
69.03429	9.1
70.06565	1.3
71.05011	2.4
71.06788	1.6
71.55998	2.8
74.06061	1.3
79.05480	3.1
81.03432	3.6
81.07066	19.3
83.08612	6.2
84.08149	1.5
85.02488	1.5
85.02916	18.0
85.06542	3.1
86.09692	2.6
91.05463	2.9
97.02882	7.9
98.06014	1.3
98.09688	2.8
98.97565	4.6
98.98469	2.6
99.08130	2.0
101.29612	1.6
108.08119	4.7
109.02867	2.5
109.06524	17.6
109.65713	1.3
110.97533	1.8
111.18648	1.3
124.07574	3.0
126.09161	42.9
127.03924	3.6
127.07555	19.8
127.56306	1.4
128.98601	2.2
137.05989	7.1
145.04903	3.3
146.02299	2.0
147.04448	1.8
154.08633	59.1
155.07043	33.7
167.02945	1.4
168.59819	1.4
172.09688	100.0
176.03612	1.5
178.03972	1.7
229.94731	1.4
235.05615	2.5
237.02853	2.5
244.09872	1.6
288.08978	1.6
334.08984	41.9
334.14703	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2636
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
52.32730	5.7
54.57576	5.7
55.05508	25.0
56.05888	5.4
56.06192	5.7
57.07083	7.2
59.68446	5.1
62.58430	5.8
63.39442	5.3
67.05501	79.5
69.03427	6.2
69.07066	37.3
71.04969	9.7
76.79333	5.5
79.05492	30.8
81.07065	97.0
83.08607	14.1
85.06534	8.4
91.05482	28.8
93.07047	41.8
95.04935	7.0
95.08617	100.0
97.06511	18.6
97.10178	9.5
98.97573	7.9
98.98470	32.2
105.07025	18.7
107.08606	27.6
109.06559	9.7
109.10152	52.0
117.07000	6.6
119.08567	23.4
121.06504	11.0
121.10132	34.5
123.08050	7.2
123.11703	18.8
131.08543	8.5
133.02737	7.4
133.10132	14.1
135.11716	20.2
137.05965	32.5
137.13237	10.6
138.51106	6.0
145.10136	15.2
147.11641	17.1
149.13304	11.0
157.10005	6.7
161.13338	9.3
167.07079	15.8
175.14903	6.3
177.12715	6.4
187.14787	6.5
243.20990	8.6
261.22147	23.9
279.23254	82.5
288.09708	8.0
301.10779	8.6
333.12671	7.6
333.16632	8.5
333.20462	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	333.2423
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
53.03931	0.9
53.80772	0.7
55.01854	1.1
55.05511	3.1
56.96556	2.6
57.07063	2.3
67.05500	6.3
69.07069	4.3
71.04985	1.3
71.20159	1.9
74.27210	0.8
79.05495	5.5
80.40099	0.6
81.03387	0.8
81.07050	8.6
83.05013	1.6
83.08633	2.0
85.06525	1.2
91.05491	4.8
93.07037	12.1
95.04965	2.3
95.08610	11.0
97.06544	1.8
97.10164	0.9
98.97549	0.8
98.98468	9.2
105.07043	9.1
107.04959	1.1
107.08601	16.4
109.06507	2.3
109.10161	9.6
111.04454	1.4
111.08070	1.3
117.07027	1.2
119.08584	10.2
121.10142	13.7
123.08052	1.5
123.11699	4.3
125.06087	1.3
131.08553	3.4
133.10133	8.9
135.08054	2.8
135.11687	7.9
137.06001	1.7
137.09581	1.1
137.13277	0.9
139.07588	1.0
139.11258	0.9
141.68132	0.8
142.01611	0.7
143.08556	0.8
145.06494	0.9
145.10120	4.9
147.08063	1.2
147.11668	5.8
149.02341	1.4
149.09547	1.4
149.13269	3.6
151.07500	1.2
153.09117	3.1
157.10127	2.4
159.11670	4.1
161.09622	2.0
161.13258	5.3
163.11188	1.0
163.14809	2.3
165.09137	2.5
167.10756	1.2
173.13300	3.7
175.11147	2.0
175.14830	2.1
176.98764	0.9
177.09108	1.1
179.10715	1.6
181.12314	1.2
185.13313	2.0
187.11185	0.8
187.14839	3.0
189.16359	2.7
193.04930	2.2
195.09891	1.1
199.14897	2.0
201.16342	1.6
205.12292	1.2
213.16405	1.4
215.18015	1.1
219.13725	1.1
245.15654	0.9
255.21198	1.0
259.17105	0.8
262.14056	1.2
269.22604	2.9
297.18805	0.9
297.22031	1.9
300.66556	1.2
315.19623	1.2
315.23151	4.1
315.26227	0.8
333.20322	63.5
333.24246	100.0
334.24713	1.2
334.29037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80343	0.8
55.05496	1.6
56.68172	0.7
56.96558	1.2
67.05492	2.3
69.07059	1.5
71.00197	0.8
71.00543	1.7
79.05497	1.8
80.23659	0.6
81.07035	2.5
91.05458	1.5
93.07046	1.5
95.04939	1.1
95.08593	2.4
97.63950	0.8
98.98478	5.6
105.07014	2.1
107.08576	1.6
109.10190	0.8
119.08574	1.6
121.10157	0.9
133.10149	1.1
135.08078	1.1
137.05940	0.8
145.10127	1.6
147.11621	0.8
176.98814	1.0
187.34534	0.8
193.10112	0.8
195.09955	3.2
215.13658	0.7
219.38831	0.8
248.89142	0.7
250.39609	0.8
278.81778	0.8
282.03320	0.9
289.21710	1.0
315.19458	1.4
315.22992	1.0
333.17041	3.5
333.20361	100.0
334.20691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13731	0.7
52.16217	0.8
55.05502	1.4
56.96544	1.4
67.05502	2.2
69.07069	1.2
70.35674	1.5
70.36069	1.7
79.05475	1.7
81.07063	4.0
83.08636	0.9
91.05496	2.2
91.46513	0.7
93.07061	4.8
95.08585	2.4
98.97580	1.0
98.97879	0.9
98.98464	7.3
105.07013	1.8
107.08580	3.2
108.62018	0.8
108.81180	0.8
109.10150	1.8
111.04458	0.9
117.06952	1.1
119.08592	2.7
119.60914	0.8
121.10137	2.0
123.11714	0.8
125.09597	0.8
131.08551	1.2
133.10139	1.1
135.08078	0.9
135.11707	1.6
137.05957	1.7
145.10104	1.4
147.11678	1.3
159.11748	1.3
161.09598	0.9
161.13286	1.1
193.05040	0.8
247.13107	2.9
297.22250	0.9
315.19348	8.6
315.23029	1.3
333.20404	100.0
333.24323	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.96561	1.0
57.03431	0.7
61.23834	0.6
61.37914	0.5
67.05491	1.4
69.07063	1.4
77.00913	0.6
79.05489	1.3
81.07035	2.2
91.05492	1.0
93.07027	1.7
94.29700	0.6
95.08582	1.8
97.06538	0.6
98.21512	1.4
98.97842	0.8
98.98472	11.1
100.98892	1.2
105.07033	1.7
107.08591	1.1
109.10130	0.7
119.08568	1.0
121.10117	1.6
122.51161	0.6
133.10129	1.3
138.21660	0.6
149.02306	0.5
159.11670	0.9
171.11693	0.6
176.98915	1.2
186.26469	0.6
193.01451	0.7
195.09935	2.3
227.11270	0.8
231.10672	0.7
287.11630	1.9
315.18289	1.1
315.23148	0.6
333.16867	5.9
333.20364	100.0
351.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05492	1.4
56.96547	1.0
57.07086	0.6
61.80749	0.5
67.05502	2.2
69.03436	0.7
69.07068	2.1
71.04955	0.6
71.60731	0.5
72.33568	0.5
75.53252	0.6
79.05511	2.6
81.07069	3.8
81.64513	0.5
88.07638	0.8
91.05479	2.4
91.82681	0.6
93.07055	4.8
93.75751	0.6
95.04971	1.6
95.08573	3.9
97.02788	0.5
97.06505	0.6
98.97625	0.8
98.98466	5.4
105.07043	3.9
107.08593	8.3
109.10148	3.5
111.08083	0.9
116.98650	0.8
117.07063	0.8
119.08573	5.0
121.10139	4.5
123.11707	1.9
127.07485	0.6
131.08546	0.7
133.10126	4.1
135.08057	0.8
135.11710	3.4
137.06006	0.8
137.09541	0.7
145.10104	2.6
147.11687	2.7
149.13284	1.0
151.07547	0.6
153.09064	1.7
157.10136	1.0
159.11716	1.8
161.09642	1.1
161.13277	1.6
165.09166	1.0
171.11734	0.8
173.13278	1.5
175.14861	1.0
176.98976	0.7
179.10683	0.9
181.12225	0.7
186.94164	0.5
187.14766	0.8
201.16408	0.6
203.50571	0.5
219.13905	0.7
227.11249	0.7
245.15353	0.8
263.12552	0.8
269.22711	1.0
288.95358	0.5
297.22028	0.9
315.19250	1.0
315.23264	1.5
333.20322	100.0
333.24240	38.8
334.20721	0.8
334.29639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03939	4.3
55.01870	3.9
55.05509	13.8
56.96563	8.5
57.03423	5.5
57.07082	4.5
61.02926	6.7
67.05514	8.4
68.05006	3.7
69.03412	16.4
69.07062	11.1
70.06564	4.0
71.04980	24.3
71.61250	3.6
71.61662	3.6
72.08163	17.8
73.02895	4.3
73.06550	6.2
79.05493	8.8
81.03408	6.5
81.07052	37.3
83.04952	3.6
84.04517	26.3
84.08121	4.0
85.02908	46.8
85.06534	6.7
86.09725	6.3
91.05482	19.7
93.07050	22.6
95.04968	5.3
95.08599	12.8
96.04489	3.6
97.02890	12.9
97.06535	13.9
98.97612	20.0
98.98468	33.4
99.04415	4.6
100.98946	3.9
101.02399	4.4
101.76442	3.5
105.07033	10.7
107.08570	19.9
108.04469	24.9
109.02872	8.0
109.06525	7.1
109.10162	10.9
110.09659	29.3
111.04459	5.5
111.08058	4.7
116.98589	9.6
119.08565	7.3
120.04460	4.2
121.06512	6.0
121.10116	6.2
122.02370	4.3
123.04463	5.3
123.11703	5.2
127.03947	5.0
128.98700	3.8
131.08557	3.8
133.02867	4.8
133.06493	3.9
135.11682	24.4
137.05997	26.8
137.13225	4.6
138.09135	37.6
140.06961	3.7
141.12740	29.2
142.50662	3.3
143.00050	3.9
145.04951	5.2
147.04317	3.8
147.08046	3.4
148.03935	10.1
151.11197	4.4
153.12747	100.0
156.10193	15.1
159.04439	4.2
165.12743	6.4
166.04973	23.8
167.07043	18.3
168.06610	21.4
171.10149	7.2
171.12431	5.4
171.13824	36.5
174.11267	47.1
176.93556	4.1
176.99071	4.6
177.00676	5.3
181.05003	4.2
181.08664	4.7
183.05269	7.2
219.01781	4.3
227.08879	3.9
252.09367	4.7
261.15015	4.8
269.09372	4.8
287.09909	8.0
297.18094	27.3
315.09583	8.0
315.19257	6.9
333.10709	6.1
333.14273	4.9
333.20316	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37532	1.7
55.01864	3.3
55.05511	3.4
56.96566	1.9
57.03422	2.4
57.07086	2.0
61.02940	2.7
67.05489	3.3
69.03425	6.2
69.07071	2.5
69.99488	3.1
69.99885	4.9
71.04990	10.0
79.05514	5.1
81.03387	2.8
81.07065	9.4
83.04987	2.1
85.02904	18.5
86.09708	3.2
91.05470	6.4
91.31112	1.9
93.07046	12.2
94.04137	3.0
95.04984	2.6
95.08605	4.0
97.02912	4.5
98.21531	2.1
98.97605	5.9
98.98471	22.4
105.07045	10.0
107.04983	4.6
107.08595	9.3
109.02863	3.0
109.06493	4.2
109.10171	3.0
115.03943	3.4
119.08578	9.0
121.06477	4.1
122.03604	4.7
123.04441	10.3
123.08074	2.3
127.03936	5.2
131.08565	5.1
133.02881	8.8
133.04964	2.3
133.10143	2.9
135.08083	2.0
135.11710	7.8
137.05972	100.0
141.05469	2.1
142.37151	2.0
143.08542	2.5
145.10129	3.4
147.08044	7.3
147.11708	3.2
149.09659	2.2
152.90439	1.9
153.05484	2.5
153.12688	11.4
159.08057	2.6
159.11818	2.3
161.02336	13.6
164.61536	1.9
165.05429	2.3
165.12759	8.2
167.03403	27.0
167.07059	2.2
168.08096	5.4
169.07574	2.1
172.07684	2.7
173.09654	5.4
173.13086	2.9
176.93539	2.2
176.99017	2.5
177.12756	4.2
186.09125	2.6
189.12714	2.7
191.10538	2.5
193.05020	4.6
196.07545	2.9
201.12563	2.1
214.08655	2.4
217.09738	7.7
219.01689	3.2
227.06781	2.4
243.13728	2.2
255.06564	4.0
259.09671	17.2
260.09344	4.6
287.08994	18.1
297.12302	6.2
315.09332	9.2
315.13379	3.3
315.17880	5.0
328.56284	2.0
333.10818	10.6
333.14334	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03924	6.9
55.01859	11.7
55.05502	20.4
56.96541	7.4
57.03424	20.4
57.07064	17.1
59.04991	7.9
59.95183	6.5
67.05511	10.0
69.03436	36.2
69.07063	25.9
70.31808	29.0
71.04994	45.9
71.80241	5.2
73.02927	11.0
79.05485	28.9
79.05888	6.6
81.03430	13.5
81.07066	50.8
85.02902	100.0
85.06589	7.4
89.58380	7.1
91.05472	27.9
93.06535	7.4
93.07042	42.6
95.04942	7.2
95.08596	24.5
97.02881	17.3
97.06529	9.2
98.21512	6.7
98.98469	18.5
103.03970	8.0
105.07027	56.1
107.08592	64.7
109.02872	14.7
109.06523	15.4
109.10124	9.1
111.04461	7.9
117.07077	11.4
119.08598	39.0
121.06507	8.2
121.10147	9.6
127.03894	9.3
131.08556	23.7
133.04977	10.2
133.06497	13.0
133.10135	13.4
135.08076	13.0
135.11693	46.4
135.25996	6.2
137.05972	17.2
137.09528	7.4
143.08566	17.7
145.04942	8.8
145.10101	25.4
147.08051	38.8
147.11670	12.5
149.09555	7.7
153.12756	78.6
156.32750	6.4
159.08005	12.9
159.11604	10.0
163.11263	7.0
165.12770	43.0
171.08116	9.3
171.11636	6.5
173.09608	28.0
173.13260	12.8
177.12747	20.6
181.08607	6.6
189.12695	10.5
191.10684	9.5
193.08647	9.5
195.53584	6.6
201.12753	9.1
219.13878	11.5
222.88879	7.1
231.13745	12.2
243.13776	12.0
252.09445	21.9
259.09592	6.1
261.14847	9.9
279.15857	14.1
297.16858	12.5
301.03513	10.9
315.17932	16.7
333.05972	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86646	3.5
53.03933	9.8
55.01867	15.1
55.05506	22.7
55.58070	3.8
57.03427	16.1
57.07063	5.1
59.04994	5.4
61.02922	10.0
67.05503	9.8
69.03427	31.9
69.07081	29.9
71.04993	53.4
71.61501	4.7
73.02908	8.6
79.05496	24.9
81.03405	10.4
81.07059	40.7
83.08606	10.7
85.02904	100.0
87.04471	6.3
91.05484	34.8
93.07043	48.0
95.04961	8.7
95.08606	26.8
96.65764	3.5
97.02888	19.8
97.06532	8.2
98.97556	4.6
98.98461	19.7
101.04961	3.1
103.03957	10.9
105.07030	55.5
107.04958	10.3
107.08604	62.3
109.02879	9.7
109.06525	18.7
109.10155	17.9
115.03937	11.3
117.07040	14.6
119.04997	3.7
119.08588	55.5
121.06505	14.6
121.10153	12.2
122.03696	5.6
123.08086	10.5
125.13244	4.4
127.03900	15.5
128.06265	10.1
129.06967	5.8
130.07799	6.3
131.08563	29.7
133.04987	13.8
133.06468	6.5
133.10161	7.6
135.08083	4.7
135.11722	37.8
137.05966	25.3
137.13252	6.8
138.59621	3.5
142.12093	3.9
143.08582	18.8
145.04956	8.7
145.06476	5.3
145.10129	23.9
147.08055	41.3
147.11685	9.1
149.05959	6.1
149.09605	8.7
151.07559	9.5
151.11124	6.2
153.01816	5.0
153.12750	43.9
155.08563	8.3
157.10172	8.6
158.07150	4.2
159.08075	8.8
159.11688	11.2
161.02342	4.5
161.09567	6.3
163.06013	4.4
163.11194	12.3
165.12738	43.3
167.03392	10.5
171.08084	12.6
171.11684	5.2
171.13797	3.5
172.06577	3.7
173.09612	31.2
173.13283	10.8
175.07637	4.9
177.05437	6.9
177.12764	16.5
181.08638	5.5
183.11659	8.7
185.13257	4.0
189.09032	5.0
189.12767	14.9
191.10680	8.8
193.08682	4.7
195.07951	5.0
195.13860	5.8
197.13312	5.6
201.12767	7.9
207.13832	3.8
209.11708	4.6
215.14369	4.3
219.13852	14.5
220.62325	3.9
231.13766	14.4
243.13788	14.9
245.93037	4.4
252.09346	5.6
259.09521	5.0
261.14917	17.5
279.15948	13.7
287.09167	10.0
297.16904	11.5
315.17972	21.5
316.87259	3.6
333.06012	5.8
333.13400	4.6
333.20663	4.3
343.12653	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	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
56.96556	0.4
70.98351	0.9
71.04987	0.7
72.96392	0.4
73.12813	0.5
79.05476	0.4
82.18583	0.4
85.02894	0.6
91.05478	0.9
98.97540	0.6
98.98479	3.0
105.06989	0.5
107.04958	1.4
119.04910	0.5
121.06491	1.1
123.04447	0.5
137.05957	2.9
153.05544	0.9
154.36128	0.5
158.99631	0.5
161.05945	0.5
167.07019	2.3
171.09972	2.1
174.14900	1.9
176.98827	0.7
181.06476	1.2
181.08577	1.2
193.08640	0.7
197.07211	0.5
197.88553	0.5
198.06750	0.6
241.08531	0.7
245.11787	0.5
273.11246	1.6
287.09003	0.7
301.10657	1.8
315.09604	0.7
333.15198	100.0
334.15555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.4
56.96569	38.0
57.03427	1.8
61.13809	1.0
67.05515	5.6
69.05281	1.2
69.07050	2.0
71.62241	1.6
71.95279	6.5
72.96011	1.5
74.97618	1.8
79.05481	4.3
81.07040	5.2
84.96026	3.4
85.89815	1.1
91.05480	4.4
93.07024	5.4
95.04948	1.3
95.08577	5.3
97.10130	1.7
97.96798	3.9
98.98476	12.5
105.00160	1.5
105.06997	3.6
106.28436	1.3
107.08586	4.1
108.85712	1.6
109.10150	2.0
110.97588	14.4
115.97833	1.6
116.98595	1.7
117.07000	1.7
118.76908	1.2
119.08556	4.0
121.06512	1.2
121.10133	4.3
123.01199	2.2
123.11686	1.2
128.98602	19.4
130.38899	1.3
131.08595	2.2
133.10120	3.1
135.08067	1.2
135.11678	2.1
137.02687	1.3
140.98404	1.2
143.00131	2.5
146.99670	10.9
147.11647	1.4
152.00191	1.9
155.03833	1.6
159.11697	1.8
161.01247	2.9
165.00647	1.9
166.51434	1.0
170.01186	1.4
173.13159	1.5
175.02762	2.4
176.98962	1.7
185.04811	2.5
189.04391	2.4
203.05940	1.7
225.07950	1.6
227.09584	1.7
241.11037	2.0
251.05724	1.3
252.10278	1.3
263.09576	4.8
264.10287	1.2
265.11145	1.5
271.14288	1.4
277.11063	2.0
290.11749	1.3
301.16681	1.3
303.12750	2.4
313.14636	2.1
315.16312	77.3
331.15790	3.9
333.17279	100.0
333.20001	6.6
333.24124	7.4
351.18405	15.4
356.18958	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29881	0.6
55.01881	0.7
56.96549	2.2
57.03431	1.6
61.02924	1.6
61.33897	0.6
69.03420	3.0
69.09104	0.6
69.53600	3.9
71.17532	0.6
76.63338	0.7
81.03417	0.8
85.02906	5.5
95.04936	1.0
97.02898	3.4
98.97577	4.8
98.98468	11.6
100.98888	1.1
102.55148	0.6
107.04945	2.7
108.08130	4.1
109.08468	4.5
110.97581	1.0
116.98590	2.7
119.01846	0.7
123.05539	2.2
124.07609	1.2
127.03901	1.6
130.08699	0.9
136.06197	2.9
136.07533	0.8
137.05952	3.0
137.07927	1.3
144.95847	0.9
152.07059	2.5
153.05206	2.4
153.07411	3.2
156.03255	2.4
158.99603	2.4
168.03339	1.5
170.91438	1.7
170.99663	0.9
171.06293	12.8
174.04376	1.6
177.00677	1.4
185.04210	4.3
186.04384	6.2
188.92456	2.0
203.05367	4.3
204.05457	2.8
209.93353	0.8
212.92386	3.9
219.01691	1.8
230.93550	4.1
237.02750	2.2
242.93539	0.8
247.89764	0.7
271.11462	2.9
273.08176	1.1
279.10196	1.8
287.11111	16.4
297.11234	2.8
305.10699	1.9
315.12869	4.0
333.11490	100.0
334.11731	1.2
338.13617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1157
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
56.96574	1.9
57.03451	1.3
69.03411	3.6
69.72694	6.0
71.04990	1.3
81.03407	1.5
85.02901	5.9
87.04450	1.1
93.97955	1.0
97.02879	3.1
98.97584	6.5
98.98458	8.7
102.38133	0.8
108.08124	7.4
109.08475	6.3
116.98631	2.8
123.05586	2.4
124.07596	1.1
127.03911	1.7
128.98624	1.0
135.04524	0.9
136.06175	2.1
137.05988	2.4
137.07964	1.1
152.07028	5.0
153.05252	3.3
153.07413	5.9
158.99620	2.2
170.91397	1.9
170.99628	1.3
171.04065	1.2
171.06306	15.4
176.98878	1.2
185.04233	5.1
186.04358	1.9
188.92474	1.9
203.05341	4.6
212.92429	2.7
219.01732	1.3
221.05003	2.1
230.93544	3.8
241.19646	0.9
271.11487	2.7
273.08310	1.2
287.11087	15.5
305.10666	1.4
315.12830	5.2
333.11499	100.0
353.66272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
51.36361	0.2
52.31446	0.2
53.03948	0.3
55.01868	0.6
55.05495	0.3
57.07076	0.2
57.86941	0.2
65.03926	0.4
66.04714	0.4
67.05495	0.5
68.99780	0.7
69.03407	0.4
69.07050	0.2
69.58289	1.3
71.04999	0.4
71.05441	0.2
77.03928	0.3
79.05504	0.8
81.03410	0.6
81.07043	1.1
83.04984	0.3
84.11111	0.2
85.02900	0.5
86.09727	0.2
88.09001	0.2
91.05475	1.0
93.07025	0.4
94.04185	2.3
95.04955	0.9
97.02873	0.4
98.97584	0.3
98.98457	1.5
99.04440	0.3
100.98894	0.2
103.05445	0.2
105.03384	1.8
105.07018	0.5
107.04972	0.6
107.08598	0.5
109.06512	2.0
110.03709	0.2
111.04408	0.4
114.36045	0.2
116.98621	0.2
119.08549	0.2
121.06517	0.5
122.03645	6.8
123.04422	7.5
124.01564	0.7
124.41966	0.2
125.05946	0.4
126.34909	0.2
127.03905	0.2
128.98549	0.2
133.02844	7.7
133.10048	0.2
135.04430	0.3
135.11668	0.4
137.05969	100.0
138.06323	0.8
141.05455	1.6
145.10118	0.3
147.04401	0.3
147.08014	0.3
149.05952	0.3
150.03130	0.8
151.03841	0.5
152.01086	0.9
153.05440	1.1
153.12704	0.4
161.02332	15.2
163.03798	0.2
165.05467	2.4
166.02605	0.7
167.03395	25.5
168.03700	0.4
169.04926	0.2
170.02060	0.6
173.09454	0.2
173.12935	0.2
176.98914	0.2
177.05537	0.2
178.02643	0.2
179.03410	0.2
181.04980	1.4
181.06363	0.3
185.04483	0.4
193.04971	4.1
198.06815	0.3
199.07489	0.3
209.04466	0.9
212.04666	0.7
213.05411	0.3
215.06990	0.3
217.09692	0.5
225.26241	0.2
227.07025	2.4
229.04953	0.7
237.02817	0.2
240.04173	0.6
241.05075	0.4
243.06595	0.3
255.06488	4.2
256.07321	0.8
257.04434	0.7
258.05310	0.2
259.09650	16.1
260.09155	0.3
271.06039	1.0
271.08832	0.2
272.06769	3.0
273.07620	0.7
283.05981	0.7
286.08395	1.3
287.09116	21.7
288.09586	0.3
300.06226	0.4
315.08594	5.9
333.09595	4.3
333.14108	0.2
333.15295	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	333.0966
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
51.37877	0.3
55.01865	0.6
68.99788	0.7
70.87012	0.7
71.04966	0.4
79.05487	0.8
81.07048	0.9
91.05481	1.2
94.04185	2.0
95.04964	1.0
97.25578	0.3
98.98456	0.6
105.03385	1.3
105.74662	0.4
107.04939	0.8
109.06502	1.4
119.23184	0.3
122.03641	6.4
123.04424	8.3
124.01616	0.7
133.02850	7.4
137.05972	100.0
138.06273	0.8
141.05467	1.2
150.03061	0.3
151.03882	0.7
151.07549	0.9
152.01067	1.3
153.01857	0.7
153.05437	0.8
161.00966	0.4
161.02335	13.5
165.05490	2.7
166.02570	1.0
167.03395	24.0
170.02040	0.4
181.05022	1.6
193.04962	3.4
209.04456	1.2
212.04660	1.1
215.07150	0.4
226.05910	0.4
227.06981	2.6
229.04906	0.9
240.04033	0.5
252.09398	0.3
255.06496	4.4
256.07318	0.4
257.04453	0.8
259.09644	17.6
271.05908	0.8
272.06720	2.9
273.07523	0.6
283.06030	0.6
286.08374	1.7
287.09125	24.4
300.06259	0.7
315.08636	6.8
333.09671	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	332.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50009	0.7
53.03941	0.8
55.01884	1.3
55.05513	5.2
56.05029	4.1
56.25668	0.7
56.96575	1.1
57.03442	1.1
57.07074	1.0
60.04525	100.0
67.05501	10.7
69.07070	5.9
70.06605	1.3
70.89506	2.1
71.04988	0.8
72.04520	1.5
73.02917	1.4
74.06087	2.0
79.05492	6.1
80.05024	1.4
81.07059	13.2
82.06583	2.7
83.04971	0.8
83.08607	2.3
84.08118	0.7
90.05571	1.7
91.05489	5.7
93.07048	7.3
93.56702	0.6
94.06551	1.4
95.04977	1.4
95.08604	10.8
96.08130	1.2
97.06530	2.7
97.10181	0.9
98.97594	0.8
98.97781	0.8
98.98466	7.4
100.07642	0.7
105.07052	2.7
107.08566	4.4
109.10144	4.9
111.08115	0.8
116.07089	0.8
117.07006	1.0
119.08600	2.9
121.06490	0.6
121.10162	3.1
122.09610	0.7
123.08067	1.2
123.11713	2.3
131.08549	2.0
133.10133	1.6
135.08078	0.8
135.11713	3.0
136.11194	0.8
137.05994	2.1
145.10107	1.4
147.11681	0.8
161.05948	0.8
181.06532	0.7
182.06799	0.9
196.08498	0.8
231.20830	0.9
242.13322	0.8
248.23792	1.4
260.23764	3.1
266.24786	0.8
278.22025	1.8
278.24731	7.9
296.22882	1.5
296.25848	11.7
314.26852	16.8
332.12241	7.1
332.15656	1.3
332.27939	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07841	0.8
53.03925	1.1
55.01866	1.1
56.96584	1.0
57.03425	3.5
58.11658	0.8
61.02918	3.7
67.05489	2.7
69.03431	12.0
69.58759	3.6
69.59163	1.4
71.04977	0.9
73.02907	1.8
79.05485	0.9
81.03413	2.9
81.07066	1.2
85.02416	1.2
85.02907	16.4
86.09726	1.9
87.04480	1.5
87.24409	0.9
91.03963	0.9
93.05790	1.1
97.02898	7.6
98.97574	1.4
98.98429	1.2
99.04453	1.7
101.00886	1.2
106.06560	5.5
108.08118	100.0
109.02890	2.0
119.01926	1.4
123.06806	3.6
123.15461	0.9
124.07602	16.2
127.03926	6.1
129.03958	1.0
134.06024	10.4
136.07579	13.1
143.01913	1.4
145.03598	1.0
145.04979	2.6
147.05025	1.1
152.07069	66.3
154.08614	1.3
159.05119	1.2
161.05539	15.1
161.55656	1.8
170.06090	3.4
170.08128	6.7
177.06181	1.9
191.68741	1.0
199.98653	1.0
219.07161	3.5
226.21547	1.0
231.07170	2.5
242.07864	1.9
251.08560	2.5
296.11365	0.9
314.12332	42.8
321.10458	9.5
322.10547	1.4
332.13403	56.3
333.05914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	0.6
56.96551	0.8
57.03439	1.8
61.02928	3.0
65.03942	1.2
67.05504	1.8
69.03436	7.0
69.77942	3.5
73.02917	2.6
81.03407	2.2
81.07066	0.9
84.08181	0.6
85.02908	9.9
87.04479	2.0
93.43832	0.5
96.08132	0.6
97.02898	5.6
98.20702	0.7
98.97591	1.8
99.04470	1.3
106.06564	4.8
108.08121	100.0
109.02883	1.3
109.08442	0.6
112.99143	0.7
123.06804	4.3
124.06692	0.9
124.07597	14.1
124.08476	1.0
127.03939	2.2
134.06024	11.7
136.07579	14.4
144.02040	0.6
145.04947	1.0
152.07072	66.5
153.07512	0.6
154.08632	1.9
161.05659	1.0
170.08118	7.3
173.01109	0.5
178.04948	0.7
184.04929	0.9
221.26419	0.6
242.07184	1.4
250.57175	0.8
251.07874	1.0
283.78748	0.6
285.36786	0.6
314.12332	35.2
321.10098	1.0
332.13406	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81424	2.0
53.03928	3.2
55.01860	3.7
56.96546	4.2
57.03424	2.9
61.02930	11.3
64.72212	2.2
66.57514	2.3
69.03419	14.8
70.77399	5.3
72.08146	9.1
73.02887	4.8
81.03415	5.9
81.07047	3.1
84.04533	3.2
85.02908	100.0
85.03419	4.7
86.09718	13.7
91.03959	4.4
97.02895	28.1
98.97810	3.9
98.98463	42.7
99.04439	5.2
100.98952	2.5
107.04959	28.1
108.08073	4.5
109.02863	7.7
123.87310	2.6
124.07564	5.5
127.03930	24.4
145.04948	38.2
152.06996	8.3
153.05486	14.0
162.07442	2.5
163.06050	4.4
170.08112	10.2
176.98959	3.1
180.08682	11.0
199.18103	3.6
217.08434	2.8
219.06543	5.5
279.08759	2.5
291.03772	4.0
314.12289	3.7
332.13849	16.6
332.17502	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	1.3
56.96575	1.2
60.18110	0.9
61.02926	1.7
69.03442	3.5
70.77590	1.4
71.04990	1.1
71.62451	0.9
72.08154	2.6
73.02925	1.7
79.05508	3.9
81.03429	1.5
81.07069	1.0
84.04542	3.0
85.02905	12.3
86.09722	2.0
91.05483	1.1
95.05000	3.3
97.02911	4.4
97.65475	1.0
98.86618	1.0
98.97578	1.0
98.97803	1.3
98.98467	15.4
99.04498	1.3
101.07163	1.5
107.04958	100.0
124.07603	1.0
127.03944	1.7
128.10742	1.4
130.06551	2.8
135.04422	21.7
135.05377	1.4
135.08038	1.9
137.05972	1.9
145.04990	1.4
153.05475	54.5
158.06052	2.1
163.03979	1.7
169.07594	2.0
170.08025	1.6
170.11832	3.6
173.12859	8.1
175.08687	1.9
176.98689	1.2
181.06213	1.6
201.12418	2.1
223.07599	3.4
332.12695	2.3
332.24142	1.1
333.15231	3.2
334.96179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.4
57.03428	5.3
57.07080	57.8
57.07366	3.1
66.34790	1.6
67.05505	18.0
69.07072	12.8
70.06589	8.6
70.19767	3.2
70.20162	3.0
71.08634	48.6
73.34112	1.6
75.04498	2.6
79.05496	3.9
81.07056	25.4
83.08635	15.8
85.10185	24.0
88.07639	12.9
89.07960	3.0
91.05471	2.2
93.07049	2.9
95.08616	31.8
97.10176	8.8
98.20831	1.8
98.98472	78.5
102.09187	2.4
103.98664	1.6
105.07039	2.1
106.08668	7.1
107.08576	4.1
109.10162	18.2
111.11690	1.7
119.08598	1.9
121.10097	3.1
123.11697	7.7
131.08592	2.0
137.13254	3.5
145.10143	2.6
151.14862	2.0
174.99258	3.4
176.98984	6.5
239.23668	10.4
257.24799	3.9
275.52728	1.7
313.21878	2.0
313.27432	34.8
313.32639	8.1
331.18793	2.7
331.22507	5.1
331.26312	3.3
331.34015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
56.96566	1.3
57.03442	1.2
61.02932	2.0
69.03423	3.6
69.07096	1.0
70.06577	0.9
71.60470	0.9
71.60901	0.9
72.08150	1.6
74.06116	1.2
79.05490	3.2
81.03412	2.0
84.04514	2.4
85.02911	13.4
86.09721	1.3
87.52551	0.9
88.04000	1.0
95.04962	3.0
97.02911	4.3
98.97591	2.2
98.98479	12.4
101.07165	1.6
105.07043	0.9
105.27509	0.7
107.04955	100.0
108.08080	1.2
109.02887	1.3
116.98615	1.2
123.54746	0.9
127.03901	2.1
130.06548	1.3
131.15094	0.8
135.04419	22.7
135.08080	1.6
137.05951	1.3
138.06226	0.8
145.04942	1.8
146.06079	1.0
152.06993	0.9
152.10698	1.2
153.05469	53.8
158.06018	1.6
169.07600	2.6
170.07959	5.6
170.09488	1.6
170.11743	4.5
173.12910	3.3
175.08673	1.1
201.12415	1.0
209.52773	0.8
219.01759	0.8
223.07529	3.7
234.98988	1.4
269.08209	1.4
279.09210	0.9
286.10837	1.0
332.12875	3.2
333.15244	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.5
57.03437	5.5
57.07079	100.0
67.05499	25.4
69.07069	18.0
70.06580	9.7
71.08635	72.9
75.04459	2.9
79.05496	4.0
81.07064	37.0
81.59279	2.4
83.08627	28.2
85.10188	43.8
88.07634	12.3
93.07034	3.9
95.08612	55.5
97.10181	16.0
98.98468	65.3
99.11697	3.9
100.98854	3.8
106.08664	5.0
109.10162	28.6
120.39780	3.1
123.11726	13.0
125.13218	3.0
137.13202	6.0
174.99174	2.5
176.98882	4.2
239.23732	14.6
257.24802	8.6
313.27393	60.7
313.32999	7.6
314.59464	2.7
331.34006	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2477
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
55.01875	2.9
55.05514	13.6
57.03424	3.4
67.05505	26.7
69.03423	2.7
69.07057	20.8
69.23273	13.7
69.23692	6.5
71.05007	2.8
73.31214	1.9
79.05487	20.9
81.03410	2.5
81.07051	22.1
83.04980	4.2
83.08604	7.5
85.06512	2.9
91.05466	11.5
93.07042	23.5
95.04930	3.8
95.08614	27.6
97.06536	9.3
97.10164	12.5
98.98465	100.0
105.07046	9.3
107.08574	16.7
109.10151	12.3
111.08072	3.6
111.11726	2.2
117.07040	3.6
119.08580	12.6
121.06516	3.0
121.10128	15.7
123.08065	12.4
125.09616	9.9
129.06966	2.5
131.08557	5.1
133.10112	3.5
135.08038	3.9
135.11696	17.1
137.05998	3.5
137.09618	5.4
139.11180	6.1
145.10094	6.0
147.11697	4.5
149.09589	2.9
149.13260	5.3
151.07613	3.8
153.07004	2.5
153.12764	4.4
160.70927	2.1
161.09665	3.3
161.13271	4.0
165.06975	3.9
165.12849	2.4
173.13203	2.8
174.15305	2.0
174.99213	5.7
175.14835	4.6
176.98862	5.5
181.06496	3.9
183.08038	3.4
196.05116	2.3
197.05827	2.6
203.12692	3.0
210.06706	2.6
211.07509	3.3
213.05505	3.3
231.21048	2.9
241.19362	4.0
249.22127	5.2
253.08652	2.8
259.20572	7.0
271.09521	2.5
277.21570	27.8
285.25858	2.2
295.22739	17.0
331.11993	32.7
331.23068	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	331.2113
Annotation	oscr#17
Peak:m/z	Relative Intensity
53.03939	1.6
55.01878	1.8
55.05513	17.6
56.96563	1.6
57.07066	3.6
63.18582	1.0
65.03922	2.1
67.05162	1.4
67.05509	16.6
69.07068	9.6
69.94221	5.6
71.04984	1.9
77.85825	1.0
79.05486	3.9
81.07056	5.9
83.04977	1.3
83.08621	25.2
85.06541	9.4
91.05476	5.2
93.07059	5.0
95.04964	1.5
95.08602	4.0
97.06537	3.3
97.10172	9.7
98.98470	100.0
100.98884	2.7
105.07077	2.3
107.08601	4.1
109.06489	1.3
109.10157	1.8
110.90355	0.9
111.08087	8.2
116.99500	2.1
117.07050	1.2
119.05022	2.1
119.08578	2.3
121.10149	4.1
123.08154	1.1
123.11747	1.1
125.09616	8.3
129.09154	2.0
131.04944	4.0
133.10106	2.3
135.08052	1.6
135.13649	1.0
139.07567	6.0
139.11160	5.0
141.07027	1.2
143.08583	1.1
147.04440	8.8
153.09122	1.4
157.08591	4.2
157.09927	1.1
159.04425	5.3
161.05975	1.6
163.03918	2.1
165.06990	1.1
171.10313	1.1
173.05989	1.7
174.99208	4.3
175.03909	56.1
175.09676	27.1
175.11198	2.2
176.98933	8.0
177.05522	8.0
187.03920	13.1
187.07466	1.0
189.05457	5.9
189.11218	16.2
198.06750	1.2
199.03903	2.9
201.05522	3.4
203.03444	2.3
203.07076	1.1
211.07399	1.1
213.05414	2.7
213.09142	1.3
215.07027	2.2
217.08531	1.2
226.06303	2.8
226.66331	1.0
229.08598	18.6
231.10210	11.3
241.08598	12.0
243.10135	11.8
245.08032	1.6
247.09666	26.3
259.09628	7.9
295.13394	1.0
295.19089	1.9
313.14401	7.4
313.21838	1.2
331.11935	1.8
331.15366	4.5
331.18857	4.5
331.22388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
56.96564	4.9
57.07088	1.7
63.38441	0.9
64.88452	0.9
67.05501	4.3
69.07060	3.4
79.05484	2.8
81.07058	7.8
83.08603	1.9
84.62601	0.9
85.06563	1.3
91.05495	4.2
91.99230	1.0
93.07051	7.1
95.08617	8.5
97.99173	1.5
98.98469	100.0
100.98901	2.6
105.07056	5.6
107.08588	7.3
109.06514	5.8
109.10150	4.9
117.06956	1.2
119.08587	5.0
121.06531	1.2
121.10152	6.7
123.08076	2.4
123.11704	2.1
131.08577	1.6
133.10104	3.4
135.08115	1.1
135.11707	5.2
137.09605	1.7
140.01077	1.4
142.07805	1.1
145.10132	2.9
147.11696	2.3
149.09669	1.9
149.13219	1.8
151.11182	1.7
157.10063	1.1
159.11670	3.8
161.13261	2.4
163.14793	2.2
171.11742	1.0
173.13222	1.6
174.99258	4.5
176.98898	5.9
185.13269	1.3
187.14851	1.4
191.14357	1.3
191.17842	1.0
197.08972	0.9
199.14732	1.0
217.15794	1.4
254.99411	1.1
295.24234	2.5
313.21979	1.2
313.25186	4.3
331.18826	82.8
331.22089	3.2
331.26236	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	331.1539
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.60097	1.7
53.03946	2.1
54.66688	1.9
65.03988	2.0
67.05493	4.6
69.03445	2.9
69.07071	1.9
69.64174	11.8
75.26598	2.0
79.05486	6.3
81.07053	8.0
85.06541	2.8
86.71115	1.7
90.71590	1.7
91.05477	29.5
93.07079	4.6
94.04192	4.5
95.04970	8.6
95.08619	4.3
98.21391	3.4
98.98460	69.1
102.61156	1.6
103.05460	5.8
105.07034	8.3
105.37153	1.8
107.04946	10.4
107.08627	4.7
109.06538	5.0
109.10175	2.4
110.24332	1.9
115.05465	3.2
116.99430	1.7
119.04935	20.3
119.08614	3.4
121.06509	7.3
121.10171	2.3
122.03647	8.1
123.04384	3.0
123.08023	2.2
127.03925	5.9
128.06210	7.9
129.06981	18.8
131.04936	8.0
131.08557	2.7
133.06467	2.3
133.10086	1.9
135.08047	6.8
135.11743	2.1
136.05205	5.1
137.05974	91.6
141.07007	2.5
145.06541	3.7
146.03677	3.5
149.05978	15.1
151.03870	2.7
151.07541	100.0
152.06226	6.5
153.06958	4.4
155.08540	2.7
157.06488	16.0
159.08044	3.5
161.06017	14.4
161.09610	4.2
163.07544	25.1
163.14784	2.2
165.07021	17.3
165.09146	7.0
166.07777	5.2
167.07178	4.1
167.08522	21.4
168.05704	2.0
169.06517	3.3
173.13222	2.2
174.06813	8.5
174.99176	3.3
175.07574	4.8
176.98953	2.6
177.05550	2.4
177.09113	4.0
178.07748	6.0
178.32831	2.1
179.08527	2.1
181.05090	2.5
181.06473	8.7
182.07304	5.1
183.08049	4.6
184.05432	1.8
185.05980	2.4
187.07542	3.1
189.09125	37.8
193.06520	7.2
193.08498	1.7
193.10104	8.9
194.07178	4.2
195.08052	26.3
196.05354	3.3
196.08946	2.3
197.05975	10.1
198.06862	2.1
203.08614	2.7
206.07312	3.4
207.10184	6.4
209.05852	3.8
209.09564	4.2
210.06752	12.5
211.07581	7.5
212.08328	7.0
213.05408	4.4
213.09134	3.1
220.08891	3.3
221.05984	8.3
221.09560	12.2
223.07491	14.5
224.08154	3.8
225.05502	3.5
225.09138	11.1
227.07085	4.1
227.10643	30.6
228.07851	2.5
234.06680	2.0
237.05621	2.7
237.09109	5.8
238.06258	7.6
239.06989	3.7
239.10576	2.5
240.07687	4.0
240.93040	1.7
241.08589	2.9
247.15775	2.0
249.09125	6.2
252.08043	3.4
253.08617	18.6
253.12231	17.6
255.10172	34.3
257.08066	2.5
267.10141	4.6
269.08112	3.6
269.11807	1.8
270.08752	3.2
271.09763	4.0
272.10388	4.1
281.11771	7.9
285.11194	18.9
287.12775	47.2
299.09421	2.4
303.08768	2.1
313.14417	10.5
316.09146	2.5
322.84790	1.9
331.11777	35.5
331.15411	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11366	1.9
70.36131	4.4
70.36517	3.6
79.05489	4.8
81.07046	4.2
91.05480	32.3
93.07023	1.9
94.04181	2.7
95.04942	8.3
95.08585	2.6
98.21449	1.8
98.98460	56.9
103.05467	6.7
105.07041	4.7
105.99494	1.6
107.04944	7.1
109.06504	6.5
109.53530	1.7
115.05452	3.4
117.06997	3.4
119.04930	20.0
119.08645	1.7
121.06495	8.0
122.03629	8.4
123.04420	3.6
128.06212	5.9
129.06995	20.1
131.04930	5.3
133.06512	2.0
135.08047	7.8
136.05215	2.9
137.05975	92.7
141.06987	2.1
145.06503	3.6
146.03656	2.2
149.06001	12.9
151.03888	5.5
151.07539	100.0
152.06209	5.3
153.06961	1.9
157.06482	13.2
161.05965	15.3
161.09596	3.3
163.04008	2.1
163.07533	23.9
165.07005	14.8
165.09113	3.6
166.07782	2.0
167.08549	19.8
174.06750	6.5
174.99194	4.1
175.07553	5.0
176.98953	2.8
177.06938	2.9
177.09132	4.2
178.07823	7.1
179.08603	2.7
181.04997	2.1
181.06480	6.8
182.07292	3.9
189.09102	37.1
189.10710	3.5
193.06479	7.4
193.08205	1.5
193.10132	7.2
195.08064	28.1
196.08842	2.3
197.05981	5.2
203.08556	2.2
205.67343	1.8
206.07027	2.1
207.08195	1.8
207.10178	5.1
209.05989	2.9
209.09676	3.8
210.06795	10.5
211.07582	4.3
212.08321	5.1
220.08699	2.2
221.05994	8.4
221.09575	12.5
223.07515	11.5
224.08347	3.7
225.05351	2.8
225.09035	11.7
227.07147	4.0
227.10649	32.5
230.90627	1.7
231.08026	2.7
234.06844	1.8
237.05344	2.2
237.09030	3.9
238.06235	6.8
239.07114	2.2
240.07764	3.1
241.08554	4.3
249.09041	5.0
252.07735	2.8
253.08600	15.7
253.12224	14.1
255.06703	3.0
255.07227	3.4
255.10149	32.3
267.10245	5.9
269.08191	4.8
271.09628	5.1
272.10440	4.8
281.11826	6.7
285.11191	17.9
287.09869	1.5
287.12778	41.7
313.14325	13.0
316.05676	7.0
331.08127	15.2
331.11780	10.3
331.15350	3.5
336.26361	1.7
347.61728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98672	2.2
55.01878	2.1
65.04276	2.0
69.88070	2.1
70.65630	6.2
77.36540	2.1
79.05505	5.5
91.05489	35.1
94.04182	4.9
95.04993	10.4
98.98470	23.4
103.05454	5.0
105.07030	5.9
107.04964	9.1
109.06507	5.8
115.05403	3.1
119.04941	25.2
121.06504	7.5
122.03642	9.2
128.06216	5.6
129.06979	17.1
131.04936	6.9
133.02762	2.5
135.08054	5.9
136.05206	6.0
137.05983	82.3
140.61932	2.4
145.06468	4.8
147.08096	2.3
149.05997	17.9
151.04024	2.4
151.07552	100.0
152.06163	4.8
153.01831	4.2
153.07051	2.8
157.06506	12.6
158.07350	2.2
161.05968	14.9
161.09608	3.4
163.07552	25.9
165.07014	13.4
165.09076	5.0
166.07787	5.5
167.08534	20.2
169.06395	2.7
174.06683	5.1
175.07579	3.4
177.07045	3.0
177.09145	2.8
178.07791	6.7
181.06490	5.8
182.07297	4.5
184.05214	2.0
189.09111	40.3
193.06482	7.5
193.10159	6.6
194.07330	3.2
195.08061	30.7
197.05977	7.3
207.10194	6.6
209.05981	4.5
209.09608	3.2
210.06728	14.0
211.07559	4.0
212.08299	4.9
221.06027	10.1
221.09608	11.8
223.07549	15.3
224.08360	5.6
225.09154	10.6
227.07097	3.3
227.10687	35.4
237.09055	3.6
238.06354	5.5
238.09851	2.4
239.07085	3.0
249.09079	7.1
251.13008	2.1
253.08707	12.9
253.12242	18.8
255.06401	2.9
255.07246	2.8
255.10141	33.0
267.10165	6.5
269.08075	5.0
269.11871	3.1
270.08859	3.2
272.10471	4.4
278.48721	2.2
281.11707	6.4
284.10519	3.0
285.03790	2.6
285.11139	24.3
287.12799	46.8
313.03360	12.4
313.14331	11.8
331.04617	3.3
331.11691	3.4
331.15662	2.2
353.50244	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72810	6.8
79.05469	4.1
91.05473	38.1
94.04166	4.3
95.04974	7.8
98.98450	22.9
103.05441	6.4
103.88070	2.3
105.07013	6.5
107.04958	9.4
109.06525	3.5
115.05460	2.7
117.07043	2.8
119.04933	18.3
121.06482	7.1
122.03619	7.8
123.11539	2.4
128.06238	7.4
129.07008	15.5
131.04884	3.6
135.04427	3.6
135.08037	5.9
136.05112	4.8
137.05977	82.8
143.04988	2.4
145.06468	2.5
149.05989	11.1
151.03900	3.1
151.07539	100.0
151.68672	2.5
152.06241	5.3
156.15025	2.3
157.06479	10.6
161.05983	17.4
161.09601	2.6
163.03923	5.8
163.07535	28.8
165.06982	13.0
165.09171	6.3
166.07730	4.1
167.08554	21.1
169.46870	2.4
174.06746	7.7
175.07542	4.6
176.98984	3.1
177.06905	3.0
177.09117	3.9
178.07785	8.6
181.02950	2.4
181.06473	5.0
182.07307	5.5
189.09111	41.6
192.09338	3.4
193.06522	7.3
193.10153	6.3
194.07205	4.1
195.08057	30.2
197.05870	6.1
203.08458	2.9
207.10217	8.6
209.06041	3.7
209.09686	2.9
210.06795	10.1
212.08339	7.4
221.05922	12.3
221.09506	12.3
223.07504	12.8
224.08360	5.0
225.05495	3.6
225.09203	12.9
227.07077	3.7
227.10649	32.6
234.06729	3.6
237.09161	3.4
238.06255	7.5
240.07903	5.6
249.09047	6.4
253.08748	14.8
253.12178	13.9
255.10150	36.4
265.08740	4.9
267.10184	3.0
269.07993	6.4
270.08664	3.0
281.11768	7.8
285.11270	21.8
287.12753	35.0
298.12244	3.6
313.14221	13.9
316.08960	5.0
331.11551	4.3
331.15601	6.6
334.23636	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
52.26803	1.8
52.71199	1.5
57.30925	1.3
60.23954	1.4
65.03931	1.8
67.05511	1.6
69.82755	7.2
69.83156	2.7
78.02475	1.2
79.05482	2.9
81.07037	3.2
86.62345	1.7
91.04954	2.6
91.05479	35.2
93.07071	1.6
94.04166	1.9
95.04951	5.1
97.06509	1.3
98.98466	17.5
103.05463	5.6
105.07053	7.3
107.04951	7.7
107.40557	1.3
108.70634	1.3
109.06510	5.6
115.05437	3.9
117.07023	1.4
119.04958	18.2
121.06491	6.1
122.03665	10.8
123.08027	1.6
128.06203	6.2
129.06987	18.6
131.04913	6.8
131.08531	2.6
133.06494	2.8
134.03561	1.7
135.08055	5.7
136.05183	3.2
137.05978	92.6
141.07079	1.5
143.04910	1.9
144.05704	1.8
145.06465	3.6
147.04417	1.9
149.05977	16.3
151.03899	3.1
151.07539	100.0
152.06197	5.4
153.07002	2.0
157.06499	17.5
160.05211	2.1
161.05988	15.6
161.09569	6.3
163.07544	23.5
165.07016	15.6
165.09163	4.7
166.07829	3.9
167.07187	2.9
167.08556	20.6
169.06497	2.7
174.06766	9.4
175.07523	4.8
176.98929	1.6
177.09114	3.7
178.07799	9.6
179.08556	3.4
181.06477	7.3
182.07256	2.6
183.07997	1.5
189.09102	37.9
193.06462	7.7
193.10054	10.6
194.07350	3.5
195.08044	30.2
195.58760	1.4
196.08836	3.3
197.05962	6.0
197.09660	3.2
203.08572	1.9
206.07274	1.8
207.08202	2.2
207.10138	5.9
209.05939	3.9
209.09535	5.5
210.06702	12.9
211.07529	4.8
212.08307	6.4
221.05995	11.0
221.09569	12.1
222.06671	1.8
223.07544	10.8
224.08302	5.6
225.05513	2.7
225.09111	10.6
227.07133	3.1
227.10670	33.5
229.08626	1.9
237.09132	3.9
238.06209	5.4
238.09959	2.8
239.07040	1.8
239.10771	1.7
240.07719	3.4
249.09177	8.7
253.08556	16.2
253.12221	17.7
255.06317	2.4
255.07269	2.4
255.10170	37.8
257.08090	1.8
267.10156	5.7
269.08051	6.0
269.11508	2.9
269.83652	1.6
270.08789	2.9
272.10446	4.6
281.11664	6.6
284.10474	3.1
285.08456	2.6
285.11249	24.3
287.12769	49.3
301.14352	3.7
313.08362	2.2
313.14392	15.5
313.80542	1.7
331.11627	8.4
331.15427	6.4
354.76703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.079
Annotation	Malvidin
Peak:m/z	Relative Intensity
54.09030	4.2
59.13179	4.3
69.76193	27.0
69.76504	5.2
85.02876	12.6
97.02921	5.4
98.98476	8.1
108.08071	5.5
225.60318	4.8
280.84317	4.9
331.07843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	1.1
55.01849	1.7
55.05503	2.5
56.96567	0.9
57.07058	1.1
59.56532	1.0
67.05492	1.2
69.03432	1.4
69.07057	2.1
69.26932	9.5
69.99773	1.0
70.06581	4.0
72.08156	24.1
73.08492	8.2
73.98560	1.0
79.05480	4.0
81.07054	3.0
85.02873	1.8
86.09719	6.0
91.05483	16.6
93.43058	1.1
94.04189	1.2
95.04974	3.4
95.08600	2.2
96.40844	1.0
98.98470	100.0
100.98902	2.4
103.05473	2.8
105.00031	1.0
105.07060	2.6
107.04948	3.9
107.08569	2.1
109.06504	2.7
113.70206	1.0
114.05527	2.4
116.07103	1.7
116.99467	1.7
119.04958	7.7
119.08573	1.5
121.06511	3.8
122.02736	3.8
122.03654	2.9
123.04469	1.3
124.07549	1.6
128.06261	2.1
129.07007	6.0
131.04929	3.3
131.08525	1.6
133.06549	2.3
134.06017	2.6
135.08037	3.5
136.05179	1.6
137.04991	2.2
137.05986	35.7
149.05994	5.5
151.07549	42.9
152.06097	1.6
153.06996	1.4
157.06503	5.0
161.05983	5.9
161.09624	1.2
162.05519	40.8
162.06889	2.1
163.03888	2.9
163.07562	10.5
165.06981	8.2
165.09103	2.0
167.07150	2.3
167.08571	7.8
169.06473	2.1
169.09737	2.7
171.14902	4.6
172.15315	7.8
174.06709	3.5
174.99199	4.0
175.07556	1.6
176.98949	7.4
177.06879	1.2
177.09077	1.5
178.07669	2.1
181.06453	3.1
182.07239	2.2
183.07979	1.8
184.75066	1.1
186.16826	1.1
187.07611	1.7
189.09096	14.7
190.05084	1.2
193.06502	3.7
193.10130	4.4
195.08029	11.0
196.08900	1.1
197.06023	3.8
199.14381	2.3
200.14819	3.2
203.08435	1.8
207.10167	3.0
209.05783	1.6
210.06697	6.1
211.07538	3.5
212.08318	2.6
219.08035	1.2
221.05927	3.4
221.09587	4.9
223.07573	6.2
224.08185	2.5
225.09113	6.0
227.07043	1.9
227.10619	13.1
232.17390	1.3
237.09010	2.0
238.06232	2.6
239.06949	1.6
240.07916	1.7
249.09145	1.6
252.07912	1.3
253.08582	6.1
253.12308	7.9
255.06487	1.4
255.07222	1.4
255.10155	15.2
267.10135	1.9
269.07980	1.3
270.08649	1.3
271.09494	1.7
272.10449	2.2
281.11884	1.9
284.10464	1.5
285.11108	8.6
287.12778	17.5
288.00919	1.1
299.09036	1.4
313.11404	8.4
313.14871	2.0
316.09003	3.7
331.11700	14.8
331.16165	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29493	1.6
55.05505	9.5
56.05029	2.5
56.96563	4.7
57.03448	2.8
57.07071	4.5
60.04524	29.5
67.05506	18.1
67.82572	1.7
68.91760	1.5
69.03440	2.0
69.07064	10.1
69.64871	8.1
69.65290	4.0
70.06590	1.9
71.05025	1.5
72.04530	2.1
72.12648	1.5
74.02438	13.9
77.75349	1.6
79.05502	6.1
81.07065	17.2
83.04984	3.7
83.08617	6.3
87.04472	11.4
88.07628	3.4
91.05476	8.4
93.07052	9.5
95.08606	14.8
97.06547	1.9
97.10165	5.7
98.98465	100.0
105.07043	5.2
107.08581	5.6
109.10173	10.3
111.08085	2.0
116.99465	2.1
119.08588	4.3
121.10138	6.3
123.11694	1.6
125.09671	2.4
133.06526	2.1
133.10126	2.1
135.11740	2.2
139.11230	3.3
147.11755	3.0
155.10687	2.3
157.10167	1.8
173.11745	5.1
173.13228	1.6
174.99187	4.6
176.98976	5.6
177.28098	1.5
183.87483	1.4
225.22136	1.9
248.23839	3.6
266.24744	2.8
268.26276	3.3
277.21692	4.5
294.24237	2.9
295.22723	2.3
312.25601	2.0
312.29120	2.1
330.26120	5.3
330.30042	13.5
330.33640	5.2
331.18796	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	330.0601
Annotation	cAMP
Peak:m/z	Relative Intensity
62.99318	0.2
69.03431	4.3
71.39408	0.4
73.02907	0.4
73.61250	0.2
75.45345	0.2
78.05410	0.2
78.13413	0.2
85.02901	1.1
86.05997	0.2
87.04412	0.2
94.04064	0.5
94.18629	0.2
97.02895	0.9
98.98472	9.4
119.03545	1.9
120.67075	0.2
136.06194	100.0
137.04613	1.0
137.06575	0.3
145.80652	0.2
168.03792	0.2
168.06465	0.2
196.19373	0.2
202.07274	0.8
213.01547	0.5
239.97543	0.2
240.05797	0.3
330.05991	17.4
331.06354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.2
57.03184	1.3
57.03439	18.7
59.04996	2.0
60.04527	1.0
61.02925	14.9
66.93556	0.9
69.03135	1.2
69.03427	26.4
71.01341	4.3
71.61083	1.2
73.02915	100.0
81.03409	3.6
81.07033	1.6
83.27969	0.9
84.50332	1.0
85.02901	71.9
87.04451	4.2
91.03942	3.4
96.04513	1.5
97.02888	41.6
98.98469	10.7
99.04455	2.6
103.03926	3.1
109.02856	7.3
115.03925	29.7
127.03915	23.4
132.06581	1.2
133.04961	46.7
144.06514	1.0
145.04953	38.4
150.07640	4.7
150.08789	0.8
163.06027	19.0
180.08551	1.8
193.04919	1.5
198.09702	2.9
199.06029	1.4
205.06944	1.0
208.05164	3.2
217.07140	1.8
223.06001	7.4
241.07014	6.7
247.47861	1.0
254.05838	1.7
259.08127	11.8
269.08090	2.8
277.09253	2.5
295.10266	5.8
315.08551	7.9
330.10867	7.3
330.14090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17139	0.9
55.05512	7.1
57.07069	2.9
59.41703	0.8
62.85630	0.9
67.05506	8.2
69.06761	1.2
69.07072	11.4
69.40440	5.9
69.91414	0.9
71.08615	1.6
73.62487	0.8
79.05520	4.6
81.07063	21.4
82.66058	0.7
83.08618	7.8
85.06555	4.4
85.10173	1.2
90.47624	0.9
91.05482	1.7
93.07043	6.3
95.04939	0.8
95.08614	20.7
96.18955	0.8
97.06537	5.7
97.10171	5.2
98.98473	100.0
99.08078	3.4
105.07041	1.7
107.08596	4.4
109.10161	13.1
111.08030	1.1
111.11710	4.2
116.99487	1.3
119.08593	2.3
121.10138	3.5
123.11727	6.4
129.06993	1.1
131.08603	1.7
135.11674	2.6
137.05998	1.3
137.13263	1.9
143.08542	1.1
145.10165	0.9
149.13260	3.4
151.14851	0.9
157.10155	1.3
159.11641	1.0
162.72150	0.8
163.14778	0.9
169.10168	1.1
173.96671	1.0
174.99200	5.9
175.07536	0.9
175.14902	1.1
176.98952	3.5
197.13228	1.1
215.10703	1.2
261.18130	0.9
263.27560	1.1
269.08237	1.0
283.24265	2.6
285.14911	1.3
293.28201	1.9
311.16406	2.0
311.19846	1.2
311.29443	3.2
329.10339	1.2
329.13870	1.5
329.17496	2.1
329.21283	1.2
329.24808	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.05267	1.6
55.05511	28.9
57.03423	2.5
67.05508	9.6
69.03434	4.9
69.07066	13.0
70.11190	1.9
70.11453	8.9
71.04980	2.0
79.05492	14.7
81.07068	13.1
83.04992	4.4
83.08606	22.7
90.39037	2.0
91.05492	5.4
93.07043	7.7
95.08594	7.9
95.57434	2.1
97.06538	2.0
97.10165	37.7
98.98460	100.0
105.07018	7.2
107.08588	49.7
109.10154	2.6
119.08615	4.6
125.09631	35.3
131.08556	2.8
133.10106	6.4
135.08017	3.1
145.10197	2.1
147.11679	3.4
149.09639	2.9
153.09093	3.4
159.11707	2.2
161.13245	2.1
171.10130	5.6
172.94374	7.1
174.99220	5.7
189.11200	56.5
190.95395	4.9
206.24524	2.0
225.25433	2.3
226.17960	2.2
232.96457	7.4
250.97624	3.8
257.18878	4.6
275.20071	41.4
293.21060	3.9
347.15555	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01863	1.7
55.05516	6.6
56.69133	1.0
67.05502	13.9
69.03418	1.1
69.07052	4.2
70.38943	3.1
71.04977	1.6
79.05495	10.4
81.03413	1.2
81.07053	10.6
83.04971	1.4
83.08611	3.5
91.05473	6.9
93.07038	8.8
95.04974	3.0
95.08609	6.8
97.06537	1.8
97.10164	3.4
98.98467	100.0
100.41206	1.0
105.07056	5.1
107.08602	6.3
109.10163	8.6
116.99483	2.1
117.04548	1.1
117.07032	1.3
119.08574	4.7
121.10148	5.3
125.09617	2.9
126.09947	1.3
130.93350	2.7
131.08574	2.0
133.10120	2.9
137.09592	2.8
140.01042	1.2
142.00870	1.0
145.10115	1.4
147.11734	1.9
159.11514	1.3
172.13307	1.1
172.94370	4.5
173.11734	3.6
174.99248	5.9
175.99631	1.1
176.98924	2.2
189.11247	2.0
190.11572	1.3
190.95422	7.2
208.96532	1.1
211.13387	1.3
232.96463	4.5
245.77853	1.0
250.97646	1.8
275.20007	3.5
339.62082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Gymnospermin
Peak:m/z	Relative Intensity
50.24881	2.3
55.01870	3.0
55.05514	18.0
57.07063	8.8
67.05511	43.2
69.07070	40.3
69.46905	18.0
71.04984	3.5
79.05496	17.6
81.07056	93.3
83.08627	18.7
85.06544	29.5
91.05463	7.3
93.07052	34.3
94.47308	2.5
95.08610	80.5
97.06541	2.6
97.10181	11.6
98.98471	100.0
99.08120	26.4
105.07033	7.8
106.02309	2.4
107.08601	31.8
109.10165	51.9
111.08080	17.8
111.11719	6.5
113.09664	4.0
119.08562	7.7
121.10136	24.0
122.24473	2.6
123.11685	29.7
125.09615	5.0
133.10141	3.1
135.11699	18.8
137.05983	3.7
137.13245	10.5
138.20854	2.4
147.11655	2.5
149.13261	32.4
153.12718	4.9
161.13231	3.3
163.14787	13.2
167.14316	5.4
171.13860	3.7
174.99219	9.4
177.16457	7.5
191.17992	4.7
203.17906	3.0
207.07886	2.5
209.19022	4.2
217.19582	4.8
235.20724	2.9
273.25790	3.6
274.86761	2.6
279.26804	2.8
291.26923	16.0
309.27933	31.4
327.12173	4.4
327.28937	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27100	1.5
50.94441	1.1
52.88014	1.3
55.05511	7.0
56.96555	1.4
57.03439	1.4
67.05505	13.2
69.03418	1.4
69.07048	5.9
69.79916	3.5
69.80352	4.5
79.05495	13.1
81.07066	10.0
83.08595	4.8
91.05486	9.1
93.07040	11.3
95.04940	2.8
95.08620	7.8
97.10152	5.0
98.21439	2.4
98.98471	100.0
99.08087	2.3
105.07017	5.3
107.08623	7.2
109.10155	6.1
110.10503	1.1
111.08153	1.4
116.99482	1.7
119.08581	8.7
120.81284	1.2
121.10161	7.7
123.11705	2.0
125.09613	2.1
130.93340	1.5
131.08554	3.2
133.10123	3.9
137.09612	1.9
145.10091	3.2
146.10471	1.9
147.11703	3.1
155.10649	1.4
159.11684	3.8
160.12022	1.9
161.13191	1.5
172.94374	2.6
173.11783	3.2
173.13217	2.0
174.99258	7.3
176.98862	2.6
185.13266	1.6
188.15096	1.6
189.11212	3.9
190.95410	2.7
197.13235	1.6
202.16670	2.8
232.96533	4.6
275.19971	4.7
310.26044	2.1
328.23627	2.1
328.27185	12.8
335.56287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	11,15-Epoxy-3(20)-phytene-1,2-diol
Peak:m/z	Relative Intensity
52.49784	1.1
53.03932	2.4
53.62846	1.2
55.01858	1.5
55.05513	13.8
57.07067	4.9
65.03949	1.3
67.05502	21.0
69.03435	1.5
69.06707	1.8
69.07071	22.7
70.69227	1.9
70.69543	1.5
71.04985	1.3
71.08636	1.8
79.05486	13.0
81.07059	66.1
83.08620	11.4
85.06544	18.0
91.05461	6.0
93.07049	22.3
95.04931	1.8
95.08610	59.8
97.06568	1.4
97.10174	8.4
98.98468	100.0
99.08083	14.3
105.07053	7.3
107.08597	21.9
109.10162	36.2
111.08086	9.7
111.11731	2.9
113.09612	2.0
119.08576	5.8
121.06516	3.8
121.10151	13.3
123.11710	16.3
125.09634	2.8
131.04982	1.9
131.08510	1.4
133.10127	4.6
135.11699	13.5
137.05968	4.5
137.13237	5.5
139.11157	2.3
144.96906	1.2
147.11674	2.5
149.13274	16.1
151.14801	2.3
153.12782	1.6
161.13293	1.9
163.14839	7.1
167.14291	3.6
171.13765	2.3
174.99222	11.0
175.14842	2.8
177.09132	10.7
177.16394	4.4
181.15866	1.4
185.15106	1.3
189.16382	2.6
191.17976	2.9
217.19579	2.0
235.20799	2.2
249.09297	1.3
265.08652	3.1
273.25699	1.8
277.08466	1.6
279.26993	1.6
281.11942	1.8
291.26865	8.0
295.09811	1.4
309.11182	2.5
309.27917	19.6
312.51068	1.3
327.12302	8.9
327.15833	1.4
327.29050	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19301	0.4
55.05509	3.0
57.03431	0.9
57.07071	1.5
57.19828	0.5
64.10165	0.5
67.05502	6.3
69.07067	5.9
70.22556	0.4
71.04998	1.2
71.08613	0.6
71.61266	0.5
79.05498	4.1
81.03423	0.6
81.07056	11.5
83.08619	3.1
85.06541	2.9
91.05473	2.1
93.07044	6.4
95.04981	1.2
95.08608	9.5
97.06532	1.7
97.10170	1.0
98.98466	100.0
99.08068	3.1
105.07027	2.1
107.08594	4.6
109.06488	0.6
109.10161	6.6
111.08080	2.1
111.11720	0.8
116.99527	1.4
119.08600	1.5
121.10153	2.9
123.08087	0.9
123.11720	2.9
131.08562	0.6
133.10146	1.3
135.11707	3.3
137.05969	2.5
137.09651	0.5
137.13269	1.6
143.08612	0.7
145.10117	0.9
147.11705	1.0
149.13324	2.7
150.56476	0.5
153.12881	0.5
157.10078	0.6
159.11705	0.8
161.13281	0.8
163.14807	0.9
165.09180	0.6
165.12784	0.6
167.14412	0.6
171.11639	0.7
171.13800	2.3
173.13393	0.7
174.99220	12.3
175.14729	0.7
177.16475	0.6
187.14853	0.6
195.08020	0.5
199.14871	0.6
207.08012	1.1
211.14917	0.7
224.08327	0.8
234.06721	0.7
235.07469	0.6
250.99985	0.7
267.10199	1.1
277.08746	0.8
281.22720	1.0
291.26709	1.5
295.09677	1.3
309.27911	1.9
316.58875	0.5
327.08655	0.8
327.12357	3.9
327.15854	0.8
327.19589	0.7
327.23145	2.3
327.28830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79911	2.2
55.05505	6.2
57.07061	4.0
58.26337	2.5
67.05511	14.6
69.07069	17.0
70.73991	6.8
70.74341	2.1
79.01967	2.2
79.05484	9.5
81.07059	52.8
83.08609	7.3
85.06530	14.4
91.05489	3.8
93.07038	18.3
95.08612	39.0
97.10141	3.8
98.98465	100.0
99.08090	10.0
105.07022	5.9
107.08585	15.9
109.10146	23.8
111.08085	3.7
111.11678	3.7
113.09667	4.0
119.08579	5.7
121.10147	12.2
123.11723	16.4
125.09650	2.2
135.11714	10.7
137.13243	5.8
149.13284	14.6
163.14839	10.3
174.99200	8.9
177.16437	3.9
197.18979	3.0
217.19421	4.6
231.69138	2.6
247.24321	2.7
273.25653	3.0
291.26791	7.0
309.27951	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03932	5.1
55.01874	1.2
55.05507	6.2
57.07059	2.5
67.05505	10.0
69.07054	5.5
69.60668	7.8
69.91569	1.0
77.03941	2.6
79.05490	7.9
81.07057	11.0
83.04962	1.2
83.08607	3.4
85.06533	1.6
91.05470	12.7
93.07035	25.0
95.04967	27.8
95.08610	17.3
97.06520	4.7
98.98463	100.0
105.04510	3.6
105.07028	21.4
107.08604	14.5
109.06513	3.5
109.10134	7.1
111.86215	1.3
115.05444	1.2
117.07021	6.2
117.17871	1.2
119.08578	20.4
121.06493	4.5
121.10146	9.6
123.07262	1.1
123.08076	4.4
123.11655	3.1
128.06201	2.3
129.07011	2.5
130.07765	1.9
131.08565	9.5
133.10121	14.7
135.08031	4.0
135.11702	4.0
137.09605	1.8
142.07773	4.7
142.88152	1.2
143.08554	8.0
144.09348	2.2
145.10114	13.3
146.48157	1.1
147.08093	1.3
147.11656	5.1
149.09599	2.7
149.13356	1.4
152.06194	14.9
153.06990	10.7
155.08554	3.5
156.09337	2.7
157.10139	11.3
158.10876	2.0
159.08136	1.7
159.11705	10.6
161.09607	3.3
161.13277	2.1
163.14897	1.3
167.08426	1.6
168.05719	2.6
169.06511	1.7
169.10156	5.6
170.10912	2.1
171.11705	6.1
172.94167	1.2
173.13263	5.5
174.99236	11.3
175.14792	5.6
178.91754	1.1
179.08698	1.3
181.10152	1.9
183.11717	4.0
185.13055	2.2
187.11198	2.3
187.14792	4.0
189.16466	1.5
195.11699	2.2
197.13251	2.8
199.14809	3.4
201.16350	1.4
207.11725	1.9
209.13217	3.4
211.14867	2.8
215.02553	2.1
217.15932	2.2
225.16357	1.6
228.09300	3.1
233.03658	12.2
235.14844	1.6
251.04570	6.5
265.19577	1.8
306.71811	1.3
309.21982	2.9
327.07809	48.2
327.22995	6.4
328.07703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.05513	16.8
57.07081	6.0
63.51633	1.3
67.05209	1.3
67.05511	14.0
69.03430	2.9
69.07070	100.0
70.09895	2.6
70.10285	3.3
70.98446	1.0
72.66222	1.1
73.06545	1.2
79.05482	5.5
81.07062	30.6
83.04961	1.9
83.08617	7.6
85.02901	2.9
85.06535	5.7
85.10147	1.2
91.05452	3.0
93.06635	1.0
93.07057	11.6
95.04954	1.5
95.08607	29.7
95.09219	1.5
97.06518	5.3
97.10156	2.4
99.08092	6.6
101.06000	3.0
105.07018	5.4
105.50215	1.2
107.08607	10.6
109.10165	15.3
111.08092	2.9
111.11720	23.6
113.09538	1.2
119.08559	4.5
121.10171	8.3
123.08076	3.0
123.11723	6.3
127.11209	1.6
129.12730	3.4
131.08600	2.1
133.10121	1.9
135.11700	5.1
137.09628	2.0
137.13268	2.7
139.11192	20.8
145.10043	2.0
147.11702	3.6
149.13225	3.5
151.14813	2.6
153.12778	2.4
157.12216	4.0
159.11716	2.9
161.13329	3.0
163.03943	5.0
163.14824	2.3
167.14275	1.9
173.13295	1.7
179.14307	1.8
187.14857	1.9
289.25201	4.2
307.26297	24.6
325.27396	8.0
333.02249	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03934	3.7
55.05511	26.8
56.96550	8.5
57.07060	7.9
63.04984	2.5
65.03915	3.1
67.05213	2.9
67.05505	32.2
68.37084	2.5
69.07069	37.3
71.04982	8.0
71.08631	3.7
79.05505	18.2
81.07057	89.8
83.04970	4.4
83.08616	24.2
85.06555	4.4
91.05467	7.8
93.07047	34.9
95.08609	88.6
97.06532	4.2
97.10162	20.3
97.19308	2.1
98.20708	6.8
99.04487	2.5
99.08111	3.9
105.07052	12.3
107.08588	33.9
109.06503	5.5
109.09447	4.1
109.10150	60.4
111.08114	14.7
111.11698	8.2
113.09664	3.0
114.52039	2.3
119.08600	14.0
121.10134	28.2
123.08052	10.4
123.11707	40.7
125.09633	3.3
127.07568	4.7
131.08548	3.5
133.10107	4.5
135.08069	2.5
135.11684	23.6
137.09618	4.7
137.13229	11.6
145.10121	6.4
147.11691	8.2
149.13268	16.6
151.11124	5.6
151.14824	6.8
159.11659	7.3
161.13249	11.2
163.03928	3.8
163.14821	18.9
165.12793	5.9
165.16394	4.9
170.63751	2.9
173.13268	5.0
175.14815	7.9
177.12808	3.0
177.16370	4.9
179.14337	4.9
179.17957	4.5
189.16425	5.5
191.17963	3.9
201.16426	3.1
215.18053	2.8
261.25745	10.3
271.24167	7.3
289.25153	25.1
307.26328	100.0
325.21683	4.9
325.27682	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.34383	2.1
53.03947	4.8
53.74764	2.0
53.96189	1.7
53.98821	2.0
55.01871	3.5
55.05510	23.5
57.03433	4.2
57.07078	11.2
58.51186	2.0
59.05022	1.9
67.05503	42.5
69.07069	100.0
70.63711	6.5
71.04994	6.2
71.08630	3.9
79.05495	27.1
80.30882	2.2
81.03430	2.3
81.07059	88.8
83.04967	3.4
83.08632	18.0
85.06545	15.3
91.05495	14.2
93.06464	2.9
93.07048	52.0
95.04970	8.8
95.08609	87.3
97.06537	8.0
97.10171	9.6
99.08064	9.9
101.06030	3.3
105.07037	24.5
107.08585	37.4
109.06519	3.9
109.09433	4.1
109.10155	53.0
111.08121	12.3
111.11738	16.8
117.07025	6.5
119.08601	19.6
121.10165	30.1
123.08102	5.5
123.11698	25.7
125.09650	4.9
125.13255	2.8
129.12766	2.1
131.08559	8.6
133.10133	16.2
135.08195	2.2
135.11708	22.2
137.09630	9.0
137.13290	5.6
139.11180	18.1
145.10165	10.8
147.11684	14.0
149.13266	21.8
151.11113	2.2
151.14819	4.9
154.62134	2.0
155.10654	3.9
157.12282	2.7
159.11732	9.7
161.13258	12.5
163.03920	7.7
163.14818	14.0
165.12779	6.3
173.13249	8.1
175.14822	7.2
177.16362	4.6
179.17921	2.2
187.14816	4.4
189.16411	4.7
201.16457	2.4
203.17871	3.3
215.17987	5.1
229.15823	2.5
231.21071	2.7
232.54968	2.4
263.23486	3.0
271.24246	15.2
289.25314	28.4
295.26297	2.3
307.26376	33.4
325.27408	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01850	1.6
55.05510	24.2
57.03422	3.5
57.07074	10.0
59.04993	1.5
67.05504	37.2
69.03420	2.3
69.06718	2.7
69.07069	43.1
70.23890	4.7
71.04971	5.1
71.08635	1.9
79.05045	2.4
79.05487	30.9
81.07056	98.9
83.04969	2.8
83.08620	23.4
85.06529	15.4
91.05467	21.2
93.07039	42.9
93.57738	1.5
95.04960	5.5
95.08604	100.0
97.02959	1.6
97.06518	4.0
97.10170	15.4
99.08084	7.8
103.05424	1.8
105.07027	28.7
107.08591	41.6
109.06507	5.0
109.10152	54.1
110.87564	1.8
111.08073	7.6
111.11697	8.2
113.09637	3.9
117.06993	5.0
119.08575	21.1
121.06522	2.0
121.10148	33.4
123.08082	4.6
123.11696	27.5
125.09630	5.5
125.13268	2.6
127.11148	2.6
131.08548	7.7
133.02400	1.7
133.10123	19.9
135.11690	27.7
137.09599	7.5
137.13275	10.6
137.14227	1.9
139.11151	6.4
145.10118	10.1
147.11696	20.5
149.13255	24.4
151.11160	3.0
151.14778	3.6
155.10637	2.2
159.11676	8.1
161.13280	14.0
163.03886	7.5
163.11185	2.3
163.14822	11.4
165.12697	6.7
165.16377	4.1
169.12207	1.6
173.13196	4.6
175.14825	9.7
177.16362	4.8
179.14313	4.1
179.17917	3.3
187.14822	5.6
189.16412	8.0
191.14230	2.2
191.17957	2.2
193.15991	2.2
201.16383	2.8
203.18054	1.8
207.17494	1.8
215.17931	5.4
231.21074	2.0
233.18932	2.0
263.23721	3.0
271.24246	15.8
277.25311	5.2
289.25250	33.0
307.26337	22.1
325.19800	2.4
325.27356	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03936	2.1
55.01869	2.9
55.05511	22.9
57.03427	4.0
57.07076	9.6
65.03941	1.7
67.05164	2.5
67.05505	36.9
69.03429	3.6
69.06712	2.8
69.07068	34.6
69.43379	14.2
71.04961	4.2
71.08604	3.0
72.41318	1.5
73.02898	1.6
77.61282	1.8
79.05497	27.4
81.03394	2.3
81.07058	92.2
83.04974	3.4
83.08620	17.5
85.02894	2.8
85.06538	13.8
89.01797	1.7
89.12859	1.7
91.05476	18.0
93.07043	43.5
95.04965	4.8
95.08608	100.0
97.06537	4.6
97.10174	14.0
98.97598	2.6
99.08079	6.5
100.11349	2.2
105.07035	28.3
107.08602	33.3
109.06528	4.6
109.09444	3.3
109.10152	48.1
111.08084	5.7
111.11710	8.1
113.09646	4.2
117.06990	4.1
119.08597	19.6
121.10142	30.4
123.08068	4.2
123.11712	25.2
125.09628	6.0
125.13253	1.9
127.11204	2.2
131.08559	8.3
133.10158	19.2
135.11694	25.4
137.05957	4.2
137.09618	8.4
137.13235	8.4
139.11176	4.3
141.09076	2.5
143.08664	1.9
145.10104	9.1
147.11716	20.5
149.09599	2.2
149.13257	22.3
151.11163	2.8
151.14835	3.3
155.08643	1.8
155.10754	3.5
157.10088	2.6
159.11705	8.9
161.13269	16.9
163.03879	9.1
163.07553	2.0
163.14828	13.5
165.12747	6.8
173.13249	7.7
175.14796	9.6
177.16397	6.3
179.14301	3.2
179.17938	2.9
187.14815	5.5
189.16374	7.9
191.17955	2.3
193.15942	3.6
201.16335	4.3
203.17950	2.5
205.15778	2.3
207.17322	2.5
215.17897	4.2
219.07965	2.1
245.22377	2.5
263.23520	2.4
265.25278	3.0
271.24258	11.7
277.25247	6.8
289.18140	2.4
289.25284	23.7
307.26260	18.8
325.10703	3.0
325.20105	1.9
325.27316	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03930	2.9
53.62253	1.5
55.01872	2.8
55.05259	1.8
55.05512	26.1
55.58348	1.5
55.98723	1.6
56.96554	1.6
57.07070	6.4
57.77148	1.5
67.05165	2.7
67.05507	42.2
69.03423	6.0
69.07069	53.2
70.71106	3.6
70.71477	4.0
71.04987	5.3
71.08619	3.9
79.05492	32.1
81.03407	4.7
81.07057	100.0
83.04967	6.7
83.08617	20.3
85.02896	4.9
85.06556	17.8
91.05475	15.2
93.07043	53.3
95.04973	9.2
95.08605	98.5
97.02874	1.8
97.06503	4.4
97.10174	15.0
98.97578	2.0
99.08112	10.3
103.05446	3.1
105.07032	30.5
107.05005	2.2
107.08594	42.1
109.06503	4.9
109.10158	55.2
109.10906	2.9
111.08074	7.0
111.11709	8.0
113.09628	4.2
117.06992	3.4
119.08585	25.4
121.06551	3.2
121.10143	29.4
123.08076	5.0
123.11716	23.7
125.05998	2.4
125.09639	5.3
125.13285	2.4
127.07507	1.8
131.08592	8.7
133.10133	22.2
135.04463	2.4
135.11688	24.8
137.05997	7.8
137.09613	6.7
137.13272	9.9
139.11194	6.8
145.02777	2.2
145.10107	10.1
147.11699	18.4
149.13261	23.2
151.07536	2.9
151.11206	5.0
151.14830	3.9
153.12750	2.0
155.10646	4.5
159.11729	9.3
161.13266	16.0
163.03889	19.9
163.07527	4.1
163.11182	2.3
163.14841	11.2
165.12787	7.0
167.14354	2.3
173.13295	6.5
175.07561	2.3
175.14816	9.2
177.05472	1.9
177.12775	2.6
177.16379	6.0
179.14328	3.6
179.17986	2.1
181.04950	3.0
181.08589	2.4
181.12325	2.3
181.15816	2.2
183.13773	1.9
187.14833	4.8
189.16396	7.2
191.17920	4.6
193.15871	2.6
197.13147	1.9
201.16435	3.5
203.17786	2.0
211.15056	1.8
215.17964	7.6
217.19456	2.1
233.19080	3.0
237.08989	1.9
261.25778	1.9
271.24149	11.6
271.79767	1.7
277.25253	7.7
289.25266	29.3
307.26324	21.3
325.10400	4.1
325.16605	9.0
325.19681	2.6
325.27344	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03949	7.0
55.05508	30.8
56.96564	21.3
57.07069	15.1
67.05502	55.9
69.07062	58.0
69.86003	29.1
69.86381	9.6
71.08598	6.1
73.44147	5.2
78.08363	4.5
79.05490	40.1
80.84958	5.9
81.07050	100.0
83.04953	5.7
83.08613	27.0
91.05486	20.7
93.07037	60.4
95.04964	12.4
95.08608	90.7
96.47492	5.2
97.02899	5.0
97.06505	7.4
97.10188	14.8
105.07059	25.1
107.04972	11.9
107.08606	46.5
109.10149	44.1
111.11715	9.3
117.07014	12.2
119.08570	23.1
121.10159	56.1
123.11709	21.8
131.08557	19.2
133.10115	18.6
135.08073	9.0
135.11656	30.0
137.13228	8.5
139.07533	7.7
145.10182	18.0
147.11710	12.9
149.09596	14.7
149.13309	25.1
153.09143	7.2
159.11665	10.7
161.13249	11.7
163.03857	12.1
163.11205	13.5
163.14847	19.2
173.13298	6.3
177.12695	5.8
177.16403	7.5
181.12318	10.2
187.14827	11.1
189.16368	9.2
191.14412	5.3
195.13835	9.6
203.17883	6.0
223.16928	6.2
229.19440	5.5
233.22720	7.5
241.19534	6.7
243.21065	10.3
261.22174	12.3
263.14679	5.6
266.78644	5.7
269.15875	6.1
279.23148	13.3
289.21725	8.0
304.17224	6.7
306.82498	5.9
307.22723	9.3
325.23856	81.0
325.28778	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78531	0.3
53.03943	2.2
54.46698	0.3
55.01878	1.7
57.03433	2.4
59.04991	0.5
61.02910	0.7
65.48878	0.3
69.03427	13.9
70.84765	0.8
71.01339	0.9
71.04641	0.4
71.04991	5.1
73.02898	1.1
81.03414	17.3
87.04426	0.4
87.12975	0.3
87.89823	0.3
91.05475	0.6
95.08604	0.3
99.04454	6.8
107.45382	0.3
116.04970	0.8
117.05494	1.7
118.06531	4.9
137.05984	0.5
145.06522	0.6
145.07602	6.8
146.45308	0.3
147.09166	8.1
149.37386	0.3
162.07884	0.9
163.03876	1.3
163.07385	0.4
163.08675	0.9
173.07100	13.3
175.08669	6.7
181.25410	0.3
187.08762	0.4
190.07477	0.3
191.08147	100.0
192.08525	0.4
200.09438	0.3
203.08150	0.4
205.09799	0.4
215.11758	0.5
231.11295	0.4
233.09166	0.9
271.10812	0.5
277.41364	0.3
279.13312	0.4
289.11731	1.7
307.12863	31.8
325.13937	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01878	2.7
55.05497	0.9
57.03439	3.4
59.04984	0.5
59.52863	0.4
61.02903	1.8
67.05477	0.6
69.03432	16.9
71.01353	1.2
71.04993	5.0
71.11607	1.0
73.02908	1.1
75.04469	0.5
78.18510	0.4
79.05488	0.7
81.03423	16.7
81.07028	1.0
83.04965	1.1
85.02883	0.6
87.75696	0.5
91.05451	1.5
93.07031	0.9
95.04939	0.5
95.08585	1.0
97.02872	0.4
99.04459	6.8
105.07011	1.0
107.08552	1.0
109.10141	0.7
116.04947	1.0
117.05475	1.9
118.06550	6.0
119.08582	0.7
121.10135	0.5
127.03931	0.6
129.66949	0.4
135.04387	0.4
137.05965	1.0
137.09647	0.6
145.07616	6.5
147.09183	8.9
151.19261	0.4
162.07875	1.3
163.03911	2.6
163.08678	1.1
173.05663	0.9
173.07120	13.1
173.13306	0.5
175.08655	6.9
187.08688	0.7
191.08159	100.0
192.08498	0.6
193.81769	0.4
205.09933	0.5
213.10191	0.5
231.11241	0.4
233.09225	1.1
271.10699	0.6
271.31995	0.5
289.11810	1.7
307.12891	33.9
325.13956	22.0
325.20078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05515	1.7
57.07085	1.0
67.05499	3.9
68.69241	0.7
69.03414	0.7
69.07071	12.6
69.84782	3.0
75.88472	0.8
79.05487	4.9
81.07058	9.6
83.04980	2.9
86.09708	100.0
91.05496	9.5
91.06023	1.4
93.07043	13.4
95.04979	3.4
95.08599	4.0
97.06541	0.8
105.07032	16.2
107.04942	1.0
107.08598	3.0
109.06520	9.7
109.10152	1.6
111.08096	3.0
117.07014	0.9
119.08595	6.5
121.10155	1.4
123.08049	1.1
123.11716	0.9
128.10738	4.8
130.08606	0.7
131.08586	4.2
132.10205	31.0
133.06487	1.2
133.10133	19.0
147.11688	11.7
149.09621	1.1
151.07574	2.5
151.11183	42.1
156.10252	1.4
157.10139	1.0
165.12816	1.9
175.11263	3.6
192.13834	0.7
193.12268	3.9
210.14874	0.9
222.15009	0.8
258.54645	0.7
260.20151	6.0
278.21133	26.8
297.24643	0.8
306.20709	5.7
324.21664	16.4
324.27466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1072
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.29673	0.3
56.96556	0.4
57.03442	0.3
61.02917	0.5
64.58206	0.3
69.03439	1.3
69.70064	1.7
71.05007	0.3
84.08124	0.3
85.02908	2.2
87.04474	0.4
97.02901	0.9
98.97594	0.8
106.06557	0.9
116.04983	1.3
120.08135	0.4
127.03889	0.4
127.07596	0.4
144.04514	0.3
145.02916	0.4
156.19421	0.3
162.05508	100.0
163.03917	0.8
163.05879	0.8
177.00879	0.3
177.05450	0.4
249.03401	0.3
250.05991	0.3
278.05197	0.4
301.68835	0.3
324.06476	0.8
324.10568	16.5
345.66629	0.3
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
53.74415	4.9
55.01852	6.4
55.05513	59.2
57.07078	60.0
67.05502	47.4
69.07068	100.0
71.08636	59.1
71.62160	7.0
76.26062	4.6
77.12357	6.2
79.05476	20.2
81.07056	96.1
83.08631	68.2
85.06533	9.9
85.10178	32.6
88.64394	4.8
91.05483	20.7
93.07065	36.4
95.08611	92.7
97.06519	15.5
97.10170	44.6
105.07024	25.2
107.08613	36.8
109.06528	9.3
109.10152	88.2
111.08086	6.2
111.11707	26.4
113.27685	6.0
115.07573	12.3
117.07076	6.3
119.08588	29.6
121.10122	32.2
122.83095	5.7
123.08045	7.5
123.11714	34.0
125.13249	10.2
133.10129	26.7
135.11674	23.6
137.09665	13.5
137.13258	15.1
145.10085	6.4
147.11702	22.2
149.13310	12.6
151.11186	12.3
151.14810	9.0
153.12607	6.5
157.10139	8.1
161.09694	6.2
161.13246	16.4
162.68617	5.6
165.11369	5.5
165.12781	15.0
175.14778	10.0
179.14297	13.3
183.13875	8.0
189.16409	8.4
193.15826	9.0
209.30457	5.7
209.76910	5.1
231.21013	9.4
263.27350	25.2
275.12442	6.4
287.27304	19.9
305.28378	10.6
323.27042	18.1
337.16998	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	323.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	36.3
57.07073	59.6
64.55960	4.3
67.05499	35.7
68.76236	5.1
69.07068	89.8
69.82628	7.1
69.83033	18.5
71.05013	4.3
71.08630	44.9
71.08918	4.0
79.05511	9.7
81.07061	74.4
83.08621	57.3
83.09039	5.5
83.10562	5.1
85.06580	6.3
85.10196	25.3
85.10669	4.0
87.35699	4.5
89.38126	4.1
91.05500	12.6
93.07051	32.5
95.08609	100.0
97.06525	6.6
97.10168	42.8
105.07068	18.3
107.08589	30.5
109.10152	65.6
111.11758	20.8
115.07616	7.5
119.08559	21.5
121.10149	22.3
123.08112	5.0
123.11716	42.0
124.54262	4.8
125.09631	7.9
125.13284	7.2
127.69965	4.7
133.10181	20.4
135.11743	17.6
137.09677	6.6
137.13271	21.9
147.11685	24.3
149.13271	9.7
151.11201	13.4
151.14877	5.4
161.13281	18.1
165.12808	19.2
165.79910	5.2
169.12331	8.1
175.14894	9.0
179.14333	12.4
179.18028	5.1
183.13846	6.0
193.15916	8.6
203.17950	7.0
207.17548	7.4
217.19502	7.3
263.27347	33.7
287.27496	16.3
305.28503	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	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03947	1.3
55.01865	2.7
55.05511	8.3
57.03429	4.1
57.07071	2.4
59.05003	1.9
67.05501	13.1
69.03429	41.1
69.07067	13.6
71.04984	3.1
71.61585	1.2
72.68821	0.9
75.14605	1.0
79.05492	9.8
81.07057	31.3
83.04983	5.1
83.08605	3.6
85.02866	1.7
85.06525	6.6
89.06004	1.4
91.05483	5.7
93.07036	20.4
95.04965	2.9
95.08603	26.4
97.06536	10.6
97.10178	3.6
98.97576	1.2
99.08088	2.3
105.07026	14.6
107.08598	15.9
109.06519	2.8
109.10160	16.5
111.04372	1.1
111.08081	8.7
111.11734	1.0
113.05980	1.4
114.40350	0.9
115.92094	0.9
117.07045	2.3
119.08572	11.1
121.06528	1.9
121.10137	19.0
123.04293	0.9
123.08080	1.5
123.11714	10.2
125.09625	3.6
127.11202	9.9
131.08546	3.1
133.07692	0.9
133.10143	7.8
135.08057	2.2
135.11658	5.6
137.09630	2.9
137.13274	2.7
139.11176	100.0
145.10106	3.0
147.11664	3.1
149.09619	1.5
149.13333	4.7
151.11163	4.8
153.12743	1.5
159.11713	3.5
161.13246	8.9
163.14877	1.1
165.12749	3.2
167.10770	1.0
169.10069	1.3
169.12253	2.3
171.11728	1.1
173.13322	1.6
175.11299	1.1
175.14821	2.4
177.12656	1.3
179.14272	6.2
181.12271	1.0
189.16475	1.1
197.15399	2.4
215.18082	1.4
231.17349	1.4
235.16917	1.1
276.07709	1.1
287.16510	1.4
287.23682	2.4
293.24677	2.1
305.17429	3.8
305.21198	1.9
305.24673	10.9
323.09174	1.4
323.17981	5.9
323.25882	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01866	8.2
55.05511	23.4
57.07067	6.2
57.14946	2.2
67.05505	45.8
69.07069	33.5
71.08631	4.1
71.32359	4.6
79.05492	28.4
81.03420	56.2
81.03893	3.0
81.07056	45.4
81.07511	3.8
83.04977	12.5
83.08637	12.5
85.06561	3.0
91.05494	15.5
93.07041	34.8
95.04972	27.8
95.08619	21.7
97.06545	4.8
97.10159	9.8
99.08086	4.4
105.07043	18.0
105.10505	2.5
107.08609	21.0
109.06566	2.8
109.10142	18.8
117.07022	3.3
119.08562	13.0
121.10147	9.0
122.06483	2.9
123.08102	2.4
123.11711	5.0
125.09654	10.8
126.52955	2.1
131.08607	3.9
133.10150	11.4
135.08058	7.9
135.11688	8.5
145.10112	5.1
147.11653	11.4
149.13272	8.3
151.11197	45.4
153.09096	7.4
161.13271	7.5
163.14876	4.5
165.12779	10.9
171.11691	3.1
173.13345	2.8
175.14822	4.2
179.14308	4.2
207.13892	2.9
217.14470	4.2
217.19675	2.8
231.21144	12.2
241.19514	3.3
249.22165	4.5
259.20618	9.1
277.21631	100.0
308.14621	2.4
323.26584	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03951	5.2
55.05511	22.5
56.96597	2.5
57.03425	9.9
57.07077	7.3
62.96866	2.2
63.82947	2.4
67.05507	62.4
69.07073	23.1
69.44126	16.6
71.04977	6.8
71.08624	6.9
73.36839	3.0
79.05481	23.9
79.28558	2.3
81.03431	6.0
81.07059	92.2
83.04974	6.1
83.08636	20.6
85.06535	8.4
91.05482	16.9
93.07065	24.0
95.04964	14.7
95.08613	100.0
95.09229	5.3
97.06522	4.3
97.10163	11.4
99.08082	3.3
105.07042	15.7
107.08594	20.2
109.06531	3.6
109.10156	52.2
111.11692	5.2
117.06236	2.7
117.07016	3.5
119.08565	13.6
121.10133	22.3
123.08082	5.0
123.11723	15.4
131.08571	6.7
133.10139	10.9
135.11754	15.4
135.35664	2.4
137.13220	7.9
145.10130	2.5
147.11656	6.8
149.13243	3.6
151.14842	4.0
159.11671	3.2
161.09639	11.1
161.13306	8.3
163.14812	6.8
165.12659	3.1
177.16380	7.5
189.16347	3.7
191.17915	3.0
199.16963	3.5
205.12242	6.8
241.32721	2.3
259.24252	6.4
263.27380	4.5
277.25308	14.3
287.23621	5.3
295.26306	40.1
305.24771	11.3
323.25845	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01861	2.3
55.05509	22.3
57.03436	2.6
57.07067	5.2
59.05729	2.1
65.25188	2.0
67.05165	2.5
67.05507	47.6
69.03410	2.5
69.07070	17.9
71.04979	4.7
71.08633	53.5
71.30871	3.1
79.05494	39.8
81.03403	5.5
81.07060	55.2
81.28126	2.0
83.04979	13.7
83.08612	12.1
85.06567	2.7
85.69406	1.9
91.05486	25.5
93.07046	53.2
95.04986	11.2
95.08604	36.1
97.06506	8.2
97.10163	4.8
99.08095	40.1
102.60787	2.5
105.07037	21.0
107.04984	4.5
107.08594	34.5
109.06489	3.7
109.10139	15.7
111.08084	3.3
117.07008	4.7
119.08597	16.8
121.06546	2.2
121.10155	29.0
123.08011	3.0
123.11692	3.8
127.11228	2.5
129.07022	2.3
131.08575	7.4
133.10146	11.1
135.08092	2.4
135.11694	36.1
137.09602	3.1
137.13290	3.3
141.09126	4.1
143.08592	2.2
145.10086	6.7
145.11134	1.8
147.11700	7.3
149.13335	10.9
151.11205	14.7
157.10138	2.8
159.11591	3.8
161.13242	10.8
163.11188	5.2
163.14792	3.1
171.11716	2.7
175.14812	2.6
177.12775	5.1
179.14310	100.0
189.12727	2.8
221.15334	3.7
235.17041	3.7
241.19621	3.1
259.20630	7.2
263.04303	2.0
277.18756	3.5
277.21628	44.5
299.13882	2.4
323.26526	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	323.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05498	1.2
56.99795	0.3
57.03426	0.5
57.07048	0.3
67.05502	3.0
69.03409	0.5
69.07057	1.6
71.60988	0.4
72.16386	0.3
73.02970	0.3
79.05077	0.3
79.05505	1.8
81.07063	2.9
83.04981	0.6
83.08607	0.8
85.05157	0.4
85.06571	0.3
91.05482	1.3
92.09115	0.3
93.07034	2.5
95.04955	0.7
95.08611	2.5
97.06520	0.9
97.10172	0.6
99.04457	0.4
105.07053	1.7
107.04957	0.4
107.08593	1.8
109.06524	0.5
109.10150	1.1
111.04438	1.0
111.08076	0.8
119.08570	1.3
121.06510	0.5
121.10133	1.3
123.08051	0.5
123.11720	0.7
125.05984	0.4
125.09628	0.7
131.08575	0.7
133.10132	1.1
135.08089	0.3
135.11684	0.9
137.06055	0.4
137.09628	0.4
139.07567	0.6
139.11243	0.4
143.08508	0.6
145.10161	0.7
147.11725	0.3
149.13231	0.4
151.07527	0.4
153.09088	1.2
157.10094	0.4
159.11682	0.6
161.09650	0.4
161.13249	0.5
163.11208	0.3
167.06964	0.5
171.11769	0.4
173.13312	0.3
173.89896	0.3
185.13290	0.4
194.18959	0.3
211.07690	0.3
213.16374	0.4
241.15686	0.3
259.16925	0.4
287.16360	0.4
305.17249	1.0
305.20987	0.6
305.24759	0.8
323.18286	100.0
324.18488	0.9
331.43243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03922	4.3
54.81992	2.2
55.01861	3.8
55.05512	18.5
57.03421	5.0
57.07061	6.8
67.05169	2.3
67.05507	37.2
69.03456	10.9
69.03751	2.5
69.07072	36.0
70.52885	4.8
70.53254	4.9
71.04984	5.8
73.02919	4.4
79.05498	34.7
81.07057	100.0
83.04967	6.2
83.08601	10.0
85.06534	12.7
91.05485	25.5
93.07046	67.3
95.04939	7.9
95.08608	83.0
97.06538	10.3
97.10143	6.5
98.97558	3.1
99.08078	13.3
99.18445	2.4
101.06009	2.5
101.20278	2.4
105.07030	40.2
107.08598	42.1
109.06520	8.0
109.10159	47.4
111.08089	10.9
113.09647	11.1
117.06995	5.0
119.08571	32.8
121.06525	2.8
121.10148	29.6
123.08086	6.9
123.09087	1.9
123.11727	17.7
125.09638	11.0
127.07519	2.9
129.07031	3.0
131.08559	9.4
133.09178	3.9
133.10126	30.6
135.11694	19.4
137.05972	3.3
137.09604	12.6
137.13177	2.2
139.11182	16.7
143.08511	5.3
145.10115	8.4
147.08095	2.4
147.11674	18.7
149.13277	20.3
151.07654	2.7
151.11172	5.5
153.12691	3.2
155.10622	2.4
155.33167	2.1
157.10080	5.5
159.11700	14.4
161.05896	2.5
161.13278	21.8
163.11156	5.3
163.14822	8.1
165.06892	2.4
165.12704	4.9
166.16000	3.3
171.11682	3.3
173.13269	5.0
175.14761	6.9
177.12755	2.7
177.16351	5.4
185.13110	2.6
187.14723	4.5
189.16338	13.3
194.19023	3.7
199.14784	6.8
201.16478	3.2
203.08450	2.2
203.17906	2.5
207.17438	4.8
213.16441	4.4
215.17848	2.1
231.07947	3.2
232.08688	2.4
243.21051	3.2
245.22679	2.9
269.22647	4.1
271.53778	2.2
287.23734	8.4
291.10172	6.3
305.24747	13.0
323.05719	2.7
323.12408	6.3
323.14929	3.2
323.18210	3.9
323.25812	78.2
336.53885	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
56.96575	0.6
65.36885	0.5
67.05502	1.4
67.16359	0.5
69.81765	2.5
73.89941	0.5
79.05481	0.7
80.29903	0.6
81.03434	0.6
81.07045	1.4
85.02901	0.6
91.05482	3.6
92.45287	0.5
93.07044	2.4
95.04967	1.1
95.08526	0.6
96.08129	0.8
98.97601	1.2
99.85414	0.5
108.08114	1.9
110.06059	1.0
122.06039	1.9
124.07584	8.7
126.05527	1.4
131.04921	0.8
133.02766	0.6
136.07578	100.0
137.07913	1.0
138.09154	1.0
140.07076	0.8
142.08627	10.5
152.07092	2.6
154.08632	47.8
156.10223	1.7
164.07068	56.2
165.07259	0.6
167.07138	0.8
170.08092	3.5
182.08136	17.7
182.09756	1.1
188.54869	0.6
193.06616	0.7
202.15994	0.5
221.06012	1.8
249.05450	2.0
267.06488	0.9
277.05023	1.2
295.05994	1.6
305.11786	0.7
305.14871	2.7
323.05582	3.9
323.11337	2.6
323.16040	4.8
323.26938	0.9
324.10571	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80887	0.7
53.03937	1.1
55.01851	1.7
55.05502	1.6
56.96582	1.0
67.05497	2.2
69.03419	1.9
69.94142	3.4
71.04989	1.0
79.05492	2.0
81.03444	1.1
81.07061	3.5
84.08167	0.9
85.02895	1.6
85.06515	1.1
90.08028	0.7
91.05461	4.5
93.07031	3.2
94.06643	0.8
95.01337	2.1
95.04967	1.6
95.08597	3.1
96.08100	0.9
97.02886	1.5
97.06528	0.8
98.97598	2.4
105.07033	2.5
107.04950	1.3
107.08582	1.6
108.08132	1.4
109.10141	1.4
110.06060	1.7
114.69833	0.7
117.06982	0.8
119.08601	0.9
120.08118	0.8
121.10179	0.8
122.06029	2.5
123.04414	1.0
124.07597	8.1
126.05447	0.8
131.04953	1.7
133.02827	1.5
136.07573	100.0
138.09099	1.5
140.07057	1.6
142.08627	11.5
152.07083	2.8
154.08626	52.0
156.10225	1.8
161.02246	0.9
162.03052	0.9
163.03896	1.4
164.07065	56.0
165.07021	5.4
165.08884	0.8
166.15921	3.0
167.07011	1.3
170.08080	2.3
170.11798	1.1
173.02330	2.0
177.06920	1.4
182.08113	17.1
184.07597	0.7
187.03854	0.8
191.07159	1.0
193.06465	3.8
194.05669	0.9
194.19011	1.8
199.07532	0.9
203.08453	0.8
205.06500	1.1
211.07018	3.1
221.05992	10.2
223.05875	1.0
227.06923	1.2
237.02859	1.4
239.07092	2.0
249.05473	11.1
263.06790	1.0
267.06525	1.8
277.04929	5.1
279.06537	1.4
287.13763	0.9
291.06381	0.8
291.09979	0.9
295.05991	11.9
305.04492	2.0
305.11462	0.9
305.14951	3.1
308.07095	1.2
323.05539	23.2
323.12067	4.8
323.16104	3.7
323.26703	3.5
324.06653	1.2
324.10580	4.9
324.15363	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01866	1.5
55.05503	2.1
56.96571	5.0
57.07073	1.1
63.98668	0.6
67.05508	5.3
69.03425	3.0
69.07069	5.1
69.36909	5.2
71.05013	1.4
72.24350	0.5
77.03917	0.7
79.05502	5.8
81.03412	1.1
81.05790	2.3
81.07060	10.7
83.04984	1.4
83.08611	2.2
84.96032	1.9
85.02895	1.6
85.06531	2.5
91.05486	4.5
93.07049	9.6
94.06570	0.8
95.04968	2.8
95.08611	8.8
96.08138	8.9
97.02896	1.6
97.06519	1.5
98.97004	1.3
98.97588	16.0
99.04487	0.8
99.08083	1.2
103.05502	0.8
105.07040	4.2
106.06583	1.6
107.08608	5.0
109.06516	1.9
109.10157	4.3
110.97587	5.1
111.08083	1.8
112.99126	0.8
113.09675	0.7
116.98634	3.8
117.03165	0.6
117.07021	1.3
119.08595	3.9
121.06503	0.8
121.10148	6.4
122.06048	1.7
123.08097	1.1
123.11709	2.5
124.07597	34.4
125.09636	1.5
126.05533	0.7
128.98621	3.7
129.07005	0.7
131.00177	0.8
131.04880	0.9
131.08565	2.1
133.10173	3.1
134.99658	0.8
135.08057	0.8
135.11699	2.6
136.07585	55.0
137.05980	1.0
137.09645	1.6
138.09129	1.5
139.11180	0.9
140.07069	1.0
140.98598	1.0
143.00148	0.9
145.06541	1.1
145.10130	2.1
146.99686	1.2
147.11694	2.6
149.09596	2.0
149.13271	1.5
157.10139	1.0
158.99696	2.7
159.08006	1.2
159.11641	0.8
161.01195	1.0
161.05972	1.4
161.09671	1.0
161.13225	1.1
163.04082	0.6
163.07587	0.8
163.14890	0.6
164.07077	100.0
165.07297	1.2
165.09151	0.8
166.15924	1.6
167.10706	1.8
170.99707	1.4
171.08043	0.8
171.11717	1.1
173.09662	0.7
173.13257	1.4
175.14841	1.0
177.00751	2.0
179.03796	2.7
182.08139	74.2
183.08473	0.7
189.00648	0.7
189.09004	0.6
189.16646	0.8
191.07016	0.9
191.14311	2.3
194.18982	1.7
197.04889	1.3
201.00725	0.8
201.16469	1.1
203.08531	1.3
209.15460	1.3
215.14330	0.8
219.01761	5.8
221.04945	2.6
231.08061	0.8
237.02876	8.3
248.08292	1.0
263.05942	0.7
263.10736	1.1
269.15601	0.7
287.16321	1.2
287.23715	1.1
291.10114	2.6
295.06052	0.9
305.17523	2.2
305.24707	2.1
306.13434	0.7
323.04926	1.2
323.08102	8.9
323.12592	3.3
323.18588	5.6
323.25958	3.8
341.09189	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	323.1125
Annotation	Luisol A
Peak:m/z	Relative Intensity
55.01868	3.8
56.96548	0.9
57.03425	2.2
63.02393	0.6
67.05495	1.3
69.03440	2.9
69.07053	0.6
69.64128	0.6
69.89305	1.5
69.89723	1.7
70.06574	1.0
78.04694	0.9
79.05482	2.3
81.03422	2.9
81.07092	0.6
83.04974	0.5
85.02902	3.6
86.09705	1.0
89.03926	0.5
89.85748	0.5
91.05492	3.2
93.07052	0.7
95.01333	38.2
95.04942	0.9
97.02891	1.9
98.20765	0.6
98.97581	1.4
102.04718	0.5
103.03931	0.6
103.05469	4.8
104.33095	0.5
105.03366	1.3
105.07027	7.8
106.04192	0.6
107.04979	2.5
113.02369	16.5
115.05450	7.2
116.06226	1.9
117.07007	4.7
118.04162	1.8
119.04922	1.1
119.08610	0.6
120.05716	1.1
121.06502	1.9
123.04417	2.0
128.06207	8.4
129.07002	3.2
130.04137	1.1
131.04010	0.8
131.04939	12.9
132.05728	1.2
133.02917	1.0
133.06497	9.2
134.03654	1.4
135.04449	1.0
136.07564	1.1
137.05994	1.3
139.05405	1.6
141.07001	5.5
142.07787	0.8
143.04967	1.2
143.05951	0.6
143.08554	4.0
144.05650	3.1
145.06493	8.4
146.03641	0.9
146.07245	0.8
147.04425	1.8
147.08044	1.3
148.05197	4.5
149.05968	1.3
151.03874	1.6
152.06175	3.7
153.06990	7.0
155.04898	2.2
155.06041	2.5
155.08528	0.7
156.05704	3.0
157.06499	5.1
158.03606	0.5
158.07271	1.1
159.04419	3.9
159.08031	1.8
160.05183	2.2
161.05991	10.2
162.03069	1.9
163.03880	2.0
163.07523	1.4
164.06950	0.6
165.05544	1.5
165.06978	8.4
167.04919	1.0
167.07050	22.8
168.05640	1.7
169.06483	5.7
170.07259	1.4
171.04401	1.3
171.08054	11.2
172.05199	4.1
173.05963	4.7
175.03844	0.7
175.07475	2.7
176.04733	5.6
176.06123	1.1
177.05521	6.0
177.06911	0.9
178.06218	1.5
179.07114	0.8
180.04138	0.6
181.04988	1.2
181.06447	7.1
181.08502	0.9
183.04462	1.3
183.08075	1.3
184.05208	5.8
185.05981	3.1
186.03236	0.8
186.06783	1.0
187.03906	1.5
187.07552	3.2
188.04599	0.6
188.93962	0.5
189.05409	1.6
189.09076	1.3
190.06256	2.8
191.07019	10.4
192.07733	1.1
193.05005	1.2
193.06528	5.9
193.08592	21.8
194.05756	5.1
195.04344	0.6
195.06482	2.1
197.05957	3.1
198.06700	3.7
199.03876	1.1
199.07527	12.6
200.04633	2.0
201.05472	5.4
202.06226	1.7
203.06963	2.1
205.06509	3.2
205.08611	4.3
206.05727	0.8
207.06534	2.5
207.10051	0.8
208.07083	0.6
209.06012	1.2
209.08078	10.5
211.07542	1.8
212.04729	4.0
213.05455	2.6
215.06976	2.3
216.07822	1.2
217.04884	1.7
217.08502	3.7
218.05806	1.7
219.06544	2.8
219.10066	0.9
221.03964	1.2
221.06006	14.7
221.08069	1.0
221.11662	0.7
225.05412	1.8
226.06224	1.9
227.07027	17.1
228.07686	0.9
229.04947	2.0
230.05688	0.8
230.09413	0.9
231.06514	1.1
231.10120	5.8
233.05948	1.7
233.08107	6.8
235.09711	1.4
237.07651	1.9
239.07018	3.4
239.09073	0.9
241.08578	0.9
243.06432	1.4
244.07227	3.7
245.04462	2.0
245.07980	3.0
247.09842	0.9
249.05455	17.3
249.07317	0.9
249.11159	1.1
250.06230	0.8
251.09187	2.7
255.06471	1.5
257.08176	0.8
259.09680	9.0
260.06876	1.2
261.07620	5.2
265.10693	0.7
266.05508	0.7
267.06546	3.5
272.06726	0.7
275.09048	0.9
277.04938	12.3
277.10654	3.8
279.06439	2.2
279.09064	0.8
287.09119	3.1
291.09961	0.9
295.02844	1.0
295.06012	15.0
305.04343	2.2
305.10199	14.7
323.05441	37.1
323.11227	100.0
324.05847	0.8
324.11594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83760	1.1
52.18310	1.4
52.76112	1.4
55.91412	1.2
56.96540	2.8
69.03423	2.7
69.87144	6.8
74.97125	1.3
81.03417	1.7
81.07068	2.2
83.93922	1.4
84.08135	3.9
85.02900	2.9
91.05451	1.5
95.08581	1.8
97.02853	1.9
98.13871	1.3
98.20833	2.8
98.97573	2.7
105.07006	1.7
110.97626	1.8
116.98630	2.5
121.06486	2.8
133.08925	2.0
135.04451	1.7
137.05980	1.6
148.11209	15.6
149.74287	1.3
161.02071	2.2
161.05873	1.8
163.03897	3.3
165.07016	2.4
167.17691	1.4
170.04152	2.3
185.04213	3.3
185.06287	1.3
193.06506	3.3
221.06158	6.3
249.05370	4.3
273.08752	1.5
277.04877	4.5
295.06009	5.8
323.05084	8.3
323.10989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39211	0.2
56.53899	0.2
56.91262	0.2
56.96564	0.5
69.64087	0.4
69.64497	1.1
73.25050	0.2
82.99857	0.2
98.21478	0.3
98.97575	3.2
101.00892	0.4
116.98627	1.6
119.01916	1.5
123.98647	0.2
132.69380	0.2
134.99696	0.5
137.25671	0.2
140.98849	0.4
145.52177	0.2
158.99901	1.5
177.00946	11.7
178.01073	0.3
182.99802	1.7
194.34534	0.2
194.63660	0.2
195.02043	0.2
201.00938	7.2
201.02798	0.4
202.00983	0.2
213.18846	0.2
214.44576	0.2
219.02000	100.0
220.02187	2.4
221.02423	0.5
224.02583	0.2
225.22733	0.2
232.93231	0.3
233.03574	0.3
234.99825	0.4
236.99576	0.7
238.95534	2.1
242.03612	4.1
254.93233	0.3
256.96628	8.2
257.96689	0.3
258.99799	0.7
259.99915	0.4
261.03049	1.3
262.03101	0.2
262.95721	0.3
272.94485	0.3
274.94168	0.8
274.97675	1.7
276.04715	0.4
277.00861	0.8
278.01083	0.3
279.98288	1.2
280.96518	1.3
282.99896	0.6
292.95187	0.4
298.18668	0.4
298.97672	34.6
299.18820	0.7
299.97861	0.6
301.01010	0.5
309.95831	0.2
316.95551	0.4
316.98813	0.4
317.19974	0.2
317.95450	0.2
318.94815	0.4
319.43948	0.6
319.94220	0.3
321.99280	3.5
325.93997	0.3
328.44351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.05510	32.7
57.07076	26.6
67.05509	37.5
69.07068	37.5
71.08632	16.9
74.51988	3.2
75.95272	2.8
79.05501	31.4
81.07056	72.0
83.08625	28.5
85.10168	9.8
91.05484	15.0
93.07046	100.0
95.04980	5.5
95.08607	86.0
97.06541	23.7
97.10155	17.8
98.21584	7.4
105.07014	15.6
107.08596	73.8
109.06470	6.2
109.10152	52.1
111.08060	6.2
111.11725	6.1
117.06990	4.4
119.08567	8.5
121.06496	11.3
121.10138	45.9
123.11723	21.9
125.06033	3.7
127.07611	4.1
131.08607	5.7
133.10143	8.3
135.08078	4.4
135.11705	29.4
137.13277	16.0
139.07553	47.0
145.10135	6.3
147.11703	7.3
149.09639	6.6
149.13242	11.5
151.14777	6.5
153.09079	20.5
159.11696	4.6
161.13251	4.3
163.11186	6.2
163.14806	8.2
165.16405	3.6
167.10645	9.2
177.12712	4.9
177.16441	6.4
181.12173	7.3
191.17982	4.1
195.13783	7.9
205.19547	3.6
209.15462	3.6
229.93208	4.4
261.25769	14.9
265.21655	4.6
275.27493	6.9
285.21774	3.4
287.98087	3.5
303.26785	4.2
321.24484	7.8
321.28116	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	321.2427
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03938	7.6
53.26545	2.3
55.01878	17.4
55.05509	37.8
56.96570	4.6
57.03426	6.2
57.07071	5.0
65.03939	3.2
67.05173	3.2
67.05508	56.9
69.03419	6.1
69.07070	38.3
71.04981	5.2
71.60715	2.7
79.05057	3.0
79.05498	50.6
81.03398	10.0
81.07061	79.7
83.04971	9.2
83.08624	33.4
84.04501	2.9
91.05483	38.1
93.07049	53.5
95.04968	23.3
95.08607	44.4
97.06544	27.7
97.10150	12.0
98.97581	3.2
103.05447	2.8
105.07036	41.4
107.04922	15.7
107.08603	52.1
109.06517	20.2
109.10149	21.3
111.08089	9.6
115.05415	3.0
117.07053	13.4
119.08593	33.4
121.06491	12.0
121.10143	33.7
123.08084	13.1
123.11715	6.6
125.09653	15.2
126.98587	2.5
129.06982	8.8
131.08565	23.4
133.10141	28.7
135.08041	14.7
135.11690	16.9
137.09596	7.6
137.13271	3.4
139.11189	3.9
143.08517	3.6
145.06468	3.3
145.10118	21.1
147.08014	3.0
147.11693	24.2
149.09641	18.7
149.13251	6.5
151.11142	6.6
157.10075	4.1
159.11694	15.7
161.09639	4.2
161.13274	9.0
163.11198	19.3
163.14783	3.8
165.12758	7.4
169.10156	2.4
171.11713	6.5
173.09599	4.6
173.13226	9.5
174.07645	3.6
175.07942	4.0
175.11255	2.9
175.14822	4.6
177.09279	2.9
177.12779	7.2
183.11809	3.4
185.13374	2.9
187.14778	3.7
189.09497	3.2
189.16447	2.8
197.13251	5.7
213.06351	2.8
213.16406	3.9
217.14314	6.1
229.19629	7.1
239.17923	9.0
245.27548	2.6
247.20619	11.6
257.18991	20.5
275.20090	100.0
275.23160	5.2
293.20938	2.8
303.19641	6.0
303.23233	7.4
321.20340	30.9
321.24332	31.9
321.30890	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	321.2426
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.07066	2.9
55.01876	3.0
55.05512	26.2
56.96570	5.0
57.03447	15.6
57.07071	6.3
65.03925	3.4
67.05503	35.8
69.07076	21.8
69.31583	19.8
69.32001	10.5
71.04991	5.9
79.05494	34.5
81.03444	3.8
81.07059	50.8
83.04990	9.0
83.08642	15.7
85.06538	6.3
91.05489	41.3
91.57408	3.6
93.07047	40.9
95.04966	9.7
95.08611	51.6
97.06527	13.0
97.10160	7.1
105.07030	40.0
107.04932	8.2
107.08593	43.0
109.06512	17.0
109.10152	20.5
111.04453	5.7
111.08066	8.1
117.07007	12.6
119.08572	34.7
121.06490	4.0
121.10143	19.9
123.08088	37.9
123.11674	6.2
125.09612	6.4
129.07008	6.7
131.08620	15.4
133.10144	22.8
135.08047	8.8
135.11665	7.5
137.09596	4.7
139.07483	4.7
141.06952	4.1
143.08510	5.8
145.10130	19.5
147.08066	3.0
147.11674	13.3
149.09642	16.1
149.13197	4.0
153.09138	3.6
157.10112	6.7
159.11678	19.8
161.09731	3.6
161.13229	9.0
163.11147	9.1
169.10211	6.1
171.11781	5.1
173.13255	8.6
175.14885	4.3
177.12711	5.1
179.14340	30.8
183.11658	5.8
185.13264	11.2
197.13321	4.7
201.16354	4.7
203.14275	9.4
217.14310	6.1
219.17461	50.5
229.19550	3.3
239.17941	6.8
249.18544	5.2
257.19077	12.4
265.17908	6.3
265.21335	3.4
271.16843	3.4
275.20053	59.1
303.23087	9.9
303.26260	3.9
312.13727	3.3
317.14551	3.3
321.20718	5.6
321.24249	100.0
321.27829	6.7
342.63824	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01873	24.9
55.05259	3.7
55.05513	64.0
57.03425	4.4
57.07076	8.2
59.04998	4.8
59.68088	2.7
62.50959	3.2
67.05509	58.1
69.03435	5.2
69.07070	29.7
70.00455	15.6
70.00751	4.3
71.05013	3.3
79.05495	100.0
81.03435	7.5
81.07059	64.4
83.04987	27.2
83.08624	25.7
85.06550	3.5
91.05481	40.8
91.74215	2.7
93.07050	64.1
95.04964	13.2
95.08614	31.1
95.88039	2.9
97.06537	34.3
97.10168	43.2
99.08130	5.8
101.50856	2.7
105.07035	50.4
107.04962	31.5
107.08597	86.1
109.06504	12.4
109.10145	16.1
111.08095	5.8
114.76369	2.8
117.07027	15.7
119.08580	34.5
121.06531	5.6
121.10145	23.7
123.04408	3.1
123.08082	10.8
123.11697	11.5
125.09643	55.1
126.46368	2.9
126.92161	2.9
131.08559	21.8
133.10124	33.9
135.08069	23.9
135.11700	9.3
137.09610	3.9
138.15567	3.1
145.10127	15.0
147.11673	19.8
149.09625	66.5
149.13284	5.0
151.11241	5.6
153.09067	18.2
157.10205	3.5
158.42812	3.2
159.11670	12.2
161.13290	9.5
163.11253	4.5
163.14861	3.9
171.11751	4.8
171.13812	8.3
173.11823	3.7
173.13251	5.1
177.12675	4.8
179.14374	4.1
197.13396	3.7
209.15402	7.4
217.14360	26.5
219.17444	8.4
229.19579	5.4
247.20486	7.5
257.18991	13.3
275.17261	4.4
275.20084	73.7
321.24258	13.5
321.27811	13.4
322.27658	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.38853	1.9
53.03934	6.6
55.01873	9.6
55.05511	27.4
55.52960	1.9
57.03425	3.9
57.07062	6.6
58.08479	2.0
60.84550	2.1
62.06073	8.0
65.03930	1.9
67.05505	56.5
68.63406	1.8
69.03419	7.2
69.07069	33.8
71.04969	8.8
75.27680	1.7
77.03942	1.9
79.05495	39.4
81.03399	8.1
81.07060	72.9
83.04977	21.1
83.08625	16.7
85.02905	2.6
85.06560	2.4
91.05481	28.1
93.07047	41.8
94.68244	2.2
95.04502	1.8
95.04974	18.4
95.08607	58.6
97.02899	28.6
97.06513	6.3
97.10165	12.0
99.04433	4.9
105.02341	1.9
105.07046	25.5
107.04947	18.7
107.07863	2.3
107.08589	43.7
109.02915	10.1
109.06513	6.7
109.10152	30.4
111.04451	35.0
111.08080	5.4
117.07008	6.7
119.08595	21.5
120.63906	1.8
121.06510	6.0
121.10140	25.4
123.08042	4.9
123.11712	9.0
125.06012	4.3
125.09618	7.3
129.06992	4.5
131.08582	16.9
133.06476	3.3
133.10124	22.4
135.08052	7.8
135.11691	17.7
137.09586	6.7
137.13264	6.1
139.07524	4.0
139.11157	2.3
143.08606	2.3
145.10141	13.4
147.08000	3.1
147.11697	13.1
149.02373	3.0
149.09622	11.7
149.12125	2.1
149.13228	5.4
151.11189	4.7
151.14786	2.5
153.09053	3.3
155.08585	3.1
157.10086	4.2
159.11688	6.9
161.09641	2.9
161.13275	8.0
163.11171	6.5
163.14848	2.4
165.12738	2.5
169.10158	2.6
171.11676	4.3
173.13249	6.5
175.14798	5.4
177.12755	2.7
177.16499	1.9
183.11700	2.9
187.14867	4.1
201.16365	3.5
217.14293	4.5
218.97832	2.5
227.18037	2.5
229.19363	2.6
233.15472	2.0
257.19019	6.6
275.20062	26.4
275.23669	7.7
293.24796	17.9
303.23157	16.6
303.26440	4.1
321.24243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94834	1.6
54.70516	1.9
56.96564	3.8
59.47240	1.9
69.03409	2.3
70.95776	4.8
81.03418	2.7
82.99843	2.4
84.08138	4.1
85.01392	2.5
85.02895	5.9
87.52599	1.8
94.99896	2.3
97.02876	3.9
98.97579	12.4
101.00893	23.2
101.59033	2.0
103.02448	3.6
103.52116	1.9
105.52592	2.0
110.97604	2.4
113.00880	11.1
115.02449	10.8
116.98617	3.7
117.03996	5.4
119.01936	16.8
127.02378	4.9
129.03979	3.1
131.01913	18.4
133.03482	14.8
135.05063	3.0
137.00897	3.3
137.02977	2.1
143.01912	16.6
145.03467	12.3
147.04999	5.0
155.01949	18.3
156.02679	2.5
157.03461	7.5
158.99683	3.7
159.05028	23.3
160.24872	2.1
161.02954	13.3
163.04510	3.0
171.05022	19.0
173.02957	14.9
173.06569	5.3
175.04497	3.8
177.04271	3.2
177.06064	7.5
183.05000	3.5
185.02922	3.2
185.06587	4.1
187.00879	4.0
187.04500	4.3
188.91777	1.9
189.06093	11.1
191.03871	3.0
195.07137	2.3
199.04570	2.7
201.00633	3.1
201.06076	8.9
203.03990	12.5
203.07567	3.8
205.03661	2.2
213.06046	2.4
219.01761	2.5
219.07176	11.9
221.05096	31.2
231.07149	9.0
243.07088	3.7
245.04974	5.1
247.03029	7.6
255.07059	2.4
257.14874	2.5
261.08276	29.6
279.09265	48.9
303.09119	2.1
321.11673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2632
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03930	2.9
55.05510	24.0
57.07077	7.2
67.05158	2.1
67.05502	33.5
69.03446	2.3
69.07069	39.4
69.07446	2.3
71.04966	2.4
71.08627	2.0
78.58594	1.2
79.05493	22.1
79.33497	1.1
81.07056	90.7
83.04984	3.2
83.08609	16.5
85.02895	2.0
85.06528	9.2
85.10219	1.7
85.46210	1.1
88.73026	1.0
91.05463	11.3
93.06459	2.9
93.07046	53.5
94.07353	1.3
95.04962	4.2
95.08607	100.0
97.06522	5.3
97.10162	10.1
98.97590	1.6
99.04443	2.3
99.08006	1.4
101.06007	2.9
105.07025	17.6
107.08595	74.6
109.06520	6.2
109.10152	58.9
111.08100	2.6
111.11698	5.4
115.07552	2.2
117.06964	2.2
119.08570	13.8
121.06493	2.0
121.10148	56.8
123.08065	5.7
123.11703	31.6
127.07566	6.1
131.08565	3.3
133.06477	1.8
133.10130	12.5
135.08073	2.8
135.11697	40.2
137.09604	4.8
137.13231	15.7
139.07568	1.5
139.11256	1.2
143.08589	1.9
145.10120	4.4
147.11688	8.4
149.09612	4.5
149.13257	40.1
151.11159	2.8
151.14795	3.1
153.09087	2.9
153.12686	1.6
155.10808	1.3
157.10078	2.1
158.36929	1.2
159.11662	4.2
161.09570	1.6
161.13263	6.4
163.11174	3.6
163.14821	25.1
165.12755	1.2
165.16400	1.5
167.10735	4.6
167.32591	1.2
171.11711	2.4
173.13269	3.8
174.97311	1.3
175.14766	2.9
177.12721	4.7
177.16377	12.4
181.12193	5.6
187.14836	2.1
187.21606	1.3
189.12695	2.2
189.16399	2.9
191.14322	1.8
191.17909	6.0
195.13823	6.3
201.16302	1.7
205.19510	8.0
207.13898	1.5
209.15405	7.2
213.16339	1.3
217.15799	2.4
221.15379	2.7
223.16910	4.9
227.17909	1.8
234.37024	1.3
235.16985	3.8
237.18515	4.4
249.18498	8.0
259.24149	4.2
263.20062	8.6
281.66986	1.2
283.20621	1.4
283.24127	2.8
301.21814	1.9
301.25134	4.1
319.06824	1.9
319.12070	1.7
319.15372	2.3
319.23206	3.5
319.26312	87.9
335.90067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2265
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03946	5.8
53.85901	3.8
55.05511	19.9
59.04992	6.2
61.32419	4.0
67.05502	58.1
67.47531	3.9
68.30696	3.4
69.03419	10.8
69.07065	48.3
71.04988	27.7
79.05484	23.8
81.07059	81.5
83.04987	5.8
83.08618	14.7
85.02890	5.2
85.06538	8.0
85.54306	3.8
91.05487	21.7
93.07047	67.4
95.04956	17.0
95.08603	66.2
97.02966	3.5
97.06509	7.0
97.10176	6.2
99.08088	14.2
105.07028	73.6
107.08591	64.0
109.06511	16.7
109.10151	97.7
111.04462	4.3
111.08029	5.6
111.11697	5.7
117.07030	10.5
119.08578	51.5
121.06503	18.5
121.10145	100.0
123.08070	13.0
123.11716	29.8
125.09647	23.7
127.07519	14.3
127.11213	8.8
130.07777	4.0
131.08578	18.3
133.10136	52.2
134.04510	3.9
135.08054	10.8
135.11687	37.3
137.05933	7.9
137.09642	42.2
137.13263	11.8
139.11180	32.6
141.06903	5.2
141.12692	5.4
142.07819	4.0
143.08542	22.6
145.06447	4.1
145.10127	39.1
147.08044	12.2
147.11676	22.4
149.09622	9.6
149.13249	8.5
153.05382	4.1
153.12735	16.0
155.08559	6.5
156.09340	5.0
157.10136	22.5
157.43893	4.4
159.07997	6.5
159.11671	27.7
161.09627	42.6
161.13162	6.8
163.11182	27.2
165.09082	27.6
165.12762	4.3
167.10628	4.8
169.10115	12.5
171.11700	18.3
173.09630	15.7
173.13254	35.1
175.11172	37.3
175.14821	10.5
177.12805	5.8
179.10658	9.6
181.12192	7.0
182.10942	4.6
183.11696	5.3
184.32271	3.6
185.09619	4.0
185.13193	9.5
187.11301	5.7
187.14726	19.3
189.12759	5.3
191.10658	5.4
191.14334	8.0
193.12277	6.1
195.11671	7.7
197.13258	23.2
199.14796	6.8
199.22234	3.8
203.14314	14.2
205.12128	4.5
211.14903	6.5
213.12723	17.2
213.16327	21.0
215.14320	37.1
223.14923	4.7
227.14351	8.9
231.17459	36.8
233.15318	11.1
241.15904	5.0
241.19530	8.9
245.64706	5.0
249.16336	4.1
255.21120	8.5
259.20462	6.5
265.19443	5.9
273.22101	10.8
283.20563	52.9
301.18182	3.6
301.21582	93.5
319.15411	6.7
319.22430	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
60.17593	1.3
63.82085	1.4
65.03932	9.9
67.05491	7.8
68.99792	3.7
69.03423	2.2
69.33925	11.6
69.34322	2.3
77.45451	1.7
79.05482	4.4
80.05037	2.5
81.07043	3.3
81.13634	1.7
91.05516	2.0
92.05002	12.2
93.03358	1.4
93.07025	3.2
94.06570	2.9
95.04943	6.8
95.08603	2.1
96.04462	2.5
96.08109	7.8
98.21497	3.5
105.07018	3.2
107.04924	1.6
107.08602	2.1
109.06536	2.2
110.06018	1.9
119.04944	4.5
120.04456	3.0
121.06506	2.2
122.03664	1.8
123.04407	5.9
124.07618	9.4
126.09150	23.4
134.41951	1.3
136.03932	2.2
137.05975	36.6
138.05525	4.5
138.09140	10.2
141.05446	3.6
147.04416	29.0
147.05585	1.1
148.03932	5.2
150.05518	2.0
150.09114	3.6
152.07086	24.0
153.05461	85.4
156.08173	1.5
158.09688	2.4
158.99677	1.6
161.08263	1.7
164.03413	3.8
166.04996	88.6
167.07065	2.1
174.05513	2.0
176.03447	11.8
178.04991	2.5
178.26393	1.5
179.07040	4.1
180.08089	1.8
182.02876	2.1
182.04477	41.7
182.06036	2.9
182.09653	1.9
185.10687	2.7
187.08698	2.4
194.04498	7.2
197.10802	1.8
198.07698	2.6
198.09306	3.4
199.08694	5.0
200.10849	6.8
209.10809	1.9
210.07741	1.5
211.08597	3.6
212.09334	7.5
213.06615	1.9
213.10329	1.6
214.10880	1.7
215.08133	10.5
216.06688	1.3
217.13429	1.4
225.10233	9.9
226.08691	3.0
227.08134	3.2
227.11810	6.5
228.10283	8.4
229.13377	4.9
233.09186	10.9
239.08197	2.1
240.08893	9.8
241.06149	4.1
241.09737	3.2
243.11249	8.4
245.09360	6.8
245.12892	2.9
253.09683	17.6
254.08121	7.5
255.07695	3.0
255.11319	8.8
257.09247	6.5
257.12918	6.0
259.07193	15.4
261.12302	6.9
270.10159	2.4
271.10736	45.9
272.09158	11.0
273.08591	3.6
273.12323	4.7
279.64029	1.5
283.10764	49.8
289.11816	35.1
291.13519	1.5
301.11810	44.0
301.15112	2.9
319.07019	4.0
319.12878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
56.96534	0.7
57.03420	1.2
65.03938	8.9
67.05497	1.1
69.07073	0.9
69.78388	1.6
69.78802	2.2
71.04985	0.7
79.05467	2.8
80.04998	1.0
81.07037	1.6
83.04997	0.8
85.02880	0.8
91.05483	0.8
92.05000	9.7
93.07047	0.7
94.06555	1.5
95.08572	0.8
96.04505	0.8
96.08117	8.5
97.02863	0.8
97.06554	0.9
98.97575	1.0
105.07042	1.3
105.93176	0.7
106.06558	0.8
109.06519	1.8
110.06035	2.0
119.08531	0.7
120.04468	1.4
121.10130	1.1
122.06027	2.4
122.09670	0.8
124.07598	8.7
126.08297	1.4
126.09155	17.9
131.08540	0.7
131.15245	0.6
134.06010	1.0
135.08105	0.7
136.07533	0.7
138.05469	1.4
138.09113	5.1
139.11214	0.9
140.07022	0.9
143.08569	0.9
144.08060	1.6
146.05998	0.8
146.09520	0.8
148.03917	5.2
148.04984	1.0
148.07491	0.7
149.05940	0.6
150.05498	2.0
150.09155	1.3
152.03435	1.5
152.07062	50.0
155.08467	0.7
157.12216	0.7
158.09633	1.2
164.03401	1.6
166.04994	100.0
167.05356	0.7
167.07178	1.1
168.10307	0.8
169.07611	0.8
169.08917	1.0
170.09552	0.9
171.09178	1.5
172.07527	0.9
173.07088	1.3
174.09135	1.0
175.08658	1.0
176.03432	15.9
178.05017	0.8
181.04916	1.4
182.04478	18.5
182.08275	0.8
182.09697	1.3
183.06766	0.8
183.09233	0.9
184.07637	1.6
184.09924	2.0
185.08400	0.9
185.10672	1.1
186.09151	1.1
186.11539	0.8
187.08659	0.9
194.04486	12.3
197.10793	1.5
198.07608	1.2
198.09442	3.3
199.08586	4.6
199.12234	0.9
200.10825	5.3
201.10210	1.4
201.13907	0.9
209.10828	1.6
210.09335	1.2
211.08716	2.5
212.09334	6.0
213.06635	1.0
213.10239	2.3
215.08080	3.9
215.11752	3.5
217.13354	0.9
225.06610	1.0
225.10159	4.6
226.11020	0.8
227.08133	2.2
227.11775	9.0
228.10260	5.4
229.09737	2.8
229.13429	2.3
233.09212	5.5
237.10272	1.0
239.08229	1.8
240.08870	7.1
241.06000	1.4
241.09727	2.6
242.10513	2.3
243.11295	10.1
244.08469	0.7
245.09190	1.3
245.12820	1.6
253.09749	7.9
254.08136	2.0
255.07841	1.6
255.11287	9.1
256.09656	1.3
257.09222	4.9
257.12854	3.3
259.07114	6.4
261.12341	3.6
265.09790	1.0
270.10095	2.5
271.10760	23.5
272.09271	4.0
273.08801	1.9
273.12305	16.7
275.13977	1.6
283.10764	68.6
284.11111	1.1
288.10977	2.3
289.11804	12.4
291.13235	1.0
301.11826	63.6
302.12057	0.8
319.12881	72.0
320.13266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.4
57.03432	0.6
58.22259	0.3
67.05486	0.4
69.03426	0.3
69.92912	1.7
71.04978	0.4
78.91891	0.4
81.07054	0.5
83.04994	0.4
85.02895	1.1
93.07026	0.4
93.64335	0.3
95.04936	0.4
97.02892	0.4
98.20787	0.5
98.97585	1.0
99.00806	0.3
105.06999	0.5
107.08584	0.5
144.23335	0.3
145.08781	0.3
152.07262	0.4
153.05508	0.4
157.07542	0.5
157.08658	1.3
158.99632	0.5
167.07243	0.4
169.07614	0.5
170.08424	0.8
171.09200	1.6
172.07515	0.4
174.09160	0.9
178.05003	0.5
182.09639	0.6
183.09171	1.0
184.09917	2.5
193.07648	0.5
194.08470	0.9
196.09975	0.7
197.07051	0.8
198.07880	1.5
199.08548	1.8
199.12343	1.9
200.10742	0.8
201.12694	0.4
209.10742	1.4
210.11589	0.8
211.08665	2.5
211.12263	0.5
212.09435	4.4
213.10219	4.0
225.10220	4.0
226.10986	10.8
227.11787	13.4
228.10179	6.1
229.09702	0.7
237.10208	0.5
239.11641	0.5
240.08965	0.7
241.09760	0.4
245.12747	0.7
254.10565	1.5
255.11290	8.4
257.09186	0.7
270.09991	20.5
271.10770	3.3
272.11545	16.2
273.12341	8.7
283.10757	8.2
301.11823	100.0
302.12241	1.7
314.46243	0.3
319.12872	29.9
320.13351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94301	1.5
56.96560	2.4
57.03424	0.7
61.02924	0.8
62.97583	0.6
69.03428	3.3
69.46390	2.9
69.46815	2.7
70.95866	1.2
72.54552	0.6
72.93806	2.2
82.42028	0.7
83.84756	0.6
84.96063	0.8
85.02911	3.6
90.94827	1.1
97.02898	3.3
98.97591	4.4
102.94864	1.0
107.04950	1.3
110.97561	1.5
116.96374	1.5
116.98617	0.8
119.01894	0.9
127.03899	1.0
128.96321	0.8
128.98564	0.8
131.01906	0.9
132.95844	10.2
144.95850	1.9
150.96916	2.8
157.01868	1.0
157.04729	16.5
158.97435	3.3
158.99658	1.1
168.95853	1.0
173.02992	0.9
174.19049	0.8
174.96906	15.6
176.98639	0.9
177.00752	0.9
185.04230	2.7
186.96877	2.0
189.00754	1.0
198.04691	1.9
199.00566	3.6
201.00743	1.0
203.05341	4.9
204.70892	0.7
211.00597	1.9
216.97963	2.7
217.03815	0.8
218.06677	0.8
221.05049	1.1
231.05347	0.8
231.55264	0.7
234.99011	11.4
235.01231	1.2
253.00096	1.4
273.09485	31.8
301.03891	2.8
319.10077	100.0
319.13602	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	319.079
Annotation	Flustramine C
Peak:m/z	Relative Intensity
69.83038	68.3
69.83447	25.2
73.31223	15.3
90.02748	13.5
98.20707	16.9
104.12624	12.5
118.41883	14.4
185.02951	15.7
312.53162	14.9
319.07779	100.0
319.10422	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	319.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90853	3.6
52.10308	4.1
56.96535	4.9
66.87482	3.6
69.03389	4.6
70.84236	9.7
70.84599	6.0
85.02898	6.8
90.11913	3.9
94.51164	4.1
97.02904	8.4
98.97556	9.8
101.00880	15.1
112.99116	4.9
115.02418	9.8
119.01913	12.2
131.01901	9.6
133.03459	9.0
143.01883	18.6
145.03476	6.5
155.01874	15.9
157.03467	17.3
158.99625	5.4
161.02979	20.1
167.01907	4.2
169.03540	4.5
171.04997	7.8
173.02908	6.9
175.02715	5.8
175.04495	8.8
183.04994	4.2
185.02917	9.0
187.04607	6.2
193.03494	8.2
197.02827	4.7
199.02708	8.8
199.04449	6.8
203.04007	16.7
221.04973	8.0
239.04025	6.2
245.05020	11.5
250.03604	4.6
259.06711	21.2
273.33133	4.4
277.07663	5.3
287.06183	5.6
301.07697	4.4
319.09738	100.0
325.47751	3.9
339.00037	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15548	2.0
53.03944	3.6
55.01866	4.2
56.96566	2.6
57.03426	7.9
61.02915	11.1
69.03429	18.3
70.01480	8.2
70.06596	4.6
71.04991	2.4
73.02918	6.2
78.28304	2.2
81.03403	8.6
85.02906	100.0
91.03959	5.9
91.05474	2.7
93.07049	4.1
96.90221	2.3
97.02889	24.7
99.04443	4.7
103.05490	3.5
109.02859	6.0
121.06508	87.8
127.03918	24.1
131.08643	2.2
135.19630	2.3
145.04959	38.4
156.10210	3.4
157.06386	2.5
159.08031	2.9
163.03891	8.0
163.06087	4.8
163.07463	2.3
175.07489	3.1
179.07069	3.0
180.08678	3.8
187.07576	19.1
205.08553	8.7
229.08546	5.7
247.09616	7.3
265.10739	2.6
287.04379	3.4
318.11960	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82077	2.2
56.96567	3.0
57.03424	7.3
57.11024	2.2
61.02909	9.8
65.80715	2.4
69.03429	19.9
69.93388	10.0
73.02903	6.3
81.03406	9.8
84.04441	2.2
85.02905	100.0
86.09694	5.8
87.04461	3.7
89.12209	2.3
91.03963	5.5
91.20763	3.1
93.07044	3.1
97.02904	27.5
99.04423	5.9
109.02873	6.5
109.29234	2.2
121.06508	67.6
127.03900	20.1
138.05489	2.4
145.04962	40.4
156.06561	2.7
156.10233	4.3
163.06058	5.2
169.06631	2.2
180.08684	15.0
187.07556	9.0
188.13503	2.2
201.12360	2.6
205.08594	11.5
210.63191	2.9
229.08739	4.0
247.09634	4.0
297.42624	2.7
302.47012	2.4
319.13644	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83363	0.4
53.03937	0.7
55.01869	0.7
55.05508	1.0
56.96564	0.9
57.03427	1.3
60.04519	1.0
61.02908	1.4
67.05515	0.6
69.03428	4.2
69.07053	1.3
71.04985	0.7
71.60487	0.7
72.08147	1.2
73.02899	1.0
81.03396	1.5
81.07041	0.5
82.06575	0.8
83.04992	0.6
83.08618	0.5
85.02914	9.6
86.09707	4.0
87.04468	1.0
87.05592	0.5
91.03963	0.5
91.05486	0.9
92.04865	0.4
93.07044	1.7
95.04954	0.5
95.08591	1.6
96.04500	2.8
96.08134	2.3
97.02897	3.9
97.05278	1.6
97.06538	1.2
98.97600	0.9
99.04453	0.8
100.07620	1.3
103.05475	0.5
109.02866	0.7
109.06532	1.1
110.06049	6.7
110.09680	4.1
111.08084	1.0
120.08102	1.3
121.06503	4.9
123.06783	0.4
125.08389	1.0
126.09158	8.0
126.10017	0.9
127.03909	1.8
138.05467	0.4
138.09148	20.9
139.07518	1.2
145.04959	1.3
150.09077	0.5
156.10205	100.0
157.10541	0.6
159.11292	1.1
168.10204	1.2
173.12889	3.5
180.10220	0.9
198.11249	0.7
201.12309	0.4
203.07607	0.4
211.13281	0.4
237.09116	0.6
272.13251	0.4
288.10504	0.6
301.11578	0.6
318.12112	0.9
318.15659	3.1
326.09769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	1.0
55.05518	4.9
56.96578	3.8
57.06858	0.8
57.07073	8.0
58.06593	2.1
67.05484	3.7
69.06769	0.8
69.07068	9.1
70.06245	1.4
70.06596	19.2
71.08620	3.5
71.61539	0.8
72.17532	0.6
79.05489	4.0
81.07050	5.3
83.04977	1.0
83.08183	0.7
83.08620	3.1
85.10152	0.9
86.62147	0.7
88.07631	28.1
91.05463	2.0
92.02631	0.8
93.03461	0.9
93.07038	5.3
95.08612	4.8
97.06514	2.8
97.10162	6.2
98.97565	1.3
100.02460	3.0
102.09180	15.6
105.07013	2.2
107.04947	1.0
107.08603	4.6
109.06525	0.9
109.10146	2.8
118.03517	1.4
119.08591	2.7
121.10131	3.5
123.04012	1.1
123.08049	0.8
125.09629	6.9
132.10130	1.3
133.10141	0.9
135.11658	1.4
139.11182	2.3
141.05185	1.2
143.10722	1.7
145.10141	1.3
146.11743	1.1
147.11725	1.5
153.01828	2.9
157.10109	0.9
161.09627	1.0
171.11665	1.1
173.13335	0.9
187.14799	1.1
189.11229	2.4
212.23779	1.8
238.15628	1.4
247.16299	0.8
256.14206	0.9
256.26346	41.9
258.66806	0.9
263.19992	1.4
281.21124	5.4
285.03879	0.9
288.92059	2.3
300.28931	2.9
302.04221	2.1
317.06564	11.0
317.17523	1.1
317.21063	3.0
317.24316	1.4
317.28140	1.1
318.30029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03946	4.1
55.01856	3.8
55.05511	17.5
56.96551	7.9
57.03452	2.9
57.07059	10.5
59.04995	6.4
60.04530	71.8
61.04847	8.2
65.37629	2.5
67.05172	3.6
67.05506	65.0
69.03423	6.9
69.07051	11.5
70.73190	4.8
70.73523	5.8
71.04997	2.9
74.06062	2.3
79.05499	16.1
80.05831	3.3
81.07053	45.3
83.04978	7.7
83.08610	7.2
85.06532	3.6
87.04493	4.3
91.05472	19.8
93.07050	27.0
95.04961	29.5
95.08614	34.2
97.06535	11.0
100.02470	3.5
105.07036	24.1
107.08601	47.5
108.63300	2.6
109.06519	24.4
109.10156	98.5
110.77615	2.4
117.07008	7.4
119.08587	68.0
121.06508	8.0
121.10166	17.0
123.08081	25.5
123.11749	4.1
131.08556	11.2
133.06467	3.6
133.10115	17.5
135.08055	12.4
135.11710	6.8
137.05956	3.5
137.09621	74.1
143.08571	8.7
145.10127	10.4
146.44702	2.7
147.08098	10.2
147.11699	9.7
149.09612	7.9
151.07535	67.7
153.05464	5.1
153.09102	2.4
156.09267	3.0
157.10121	5.6
159.08005	5.3
159.11690	8.2
161.09612	10.7
163.07596	3.2
163.11212	5.3
165.09145	6.0
167.07065	3.3
168.99303	2.5
169.10104	3.7
171.11688	6.2
173.09605	4.6
173.13268	7.3
174.27356	2.7
175.11252	2.7
175.14717	3.5
177.08813	3.0
179.10571	3.8
181.08672	3.6
181.12256	3.4
185.13213	3.9
189.12727	29.1
191.14378	3.1
197.13304	5.2
199.14867	4.1
201.12820	4.3
207.13782	30.7
215.14323	4.2
221.15363	6.2
237.14784	5.7
243.13782	9.2
256.26291	5.6
261.14905	4.3
281.19003	6.9
281.26688	13.4
299.20178	18.4
299.27686	10.9
317.06384	16.0
317.21130	100.0
317.24557	4.5
317.28769	38.7
318.30020	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	317.2111
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.66174	1.6
55.01861	3.4
55.05291	2.1
55.05510	19.2
56.96550	2.9
57.07081	11.2
59.04992	5.9
61.00729	1.7
64.05384	1.6
65.03912	3.0
67.05505	57.8
69.03430	4.3
69.07055	9.5
69.35828	15.8
70.06596	10.9
71.05013	4.1
71.08593	1.7
79.05509	11.4
81.03432	3.1
81.07057	37.3
83.04962	4.9
83.08597	7.2
85.06532	4.6
85.52617	1.8
88.07242	1.5
88.07640	16.6
91.05475	19.5
93.07044	25.3
95.04965	36.3
95.08611	25.5
97.06520	9.0
100.02493	1.7
102.09196	10.5
103.05445	1.7
104.06311	2.0
105.07035	26.3
107.04945	2.2
107.07852	2.5
107.08593	53.4
109.06528	21.3
109.10152	100.0
117.07005	6.3
119.08581	69.5
121.06489	7.0
121.10170	11.9
123.08065	37.3
124.32904	1.6
125.05952	2.6
125.09626	3.1
129.06984	3.4
131.08575	10.9
133.06497	6.7
133.07449	1.6
133.10127	10.7
135.08049	15.8
135.11684	4.2
137.05966	3.4
137.09615	79.3
139.07475	3.3
141.06985	1.8
143.08533	7.1
145.10139	11.4
147.08025	6.5
147.11661	8.6
148.65628	1.5
149.09589	6.7
151.07529	79.6
153.05464	7.6
153.09117	1.6
156.09351	4.8
157.10017	2.3
159.08090	4.1
159.11714	7.9
161.09663	12.0
161.13290	4.0
163.11177	7.0
165.09137	11.2
167.07039	3.8
171.11658	10.2
173.09645	2.9
173.13243	5.4
175.11194	3.0
177.08954	3.4
177.12730	1.9
179.10652	2.0
181.08568	5.4
181.12271	4.7
183.11729	3.4
185.13258	3.4
189.12743	30.2
191.10759	2.9
191.14278	3.6
197.13274	2.7
199.11195	2.6
199.14764	1.8
201.12579	2.4
203.14185	2.4
207.13766	31.0
215.14436	4.6
219.13773	1.8
221.15388	4.7
225.12712	2.4
233.15331	5.1
237.14839	8.2
239.17972	2.9
241.15929	2.5
243.13788	9.7
247.16592	2.0
256.26367	25.3
261.14789	4.7
272.90060	1.7
299.19983	13.3
300.28937	2.2
302.04160	2.5
317.06635	10.0
317.21100	99.8
318.29987	60.4
318.33597	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	317.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97651	2.7
53.03935	3.4
54.52563	2.6
55.01884	3.9
55.05512	59.8
56.96572	3.3
57.03450	2.5
60.04517	6.6
67.05510	17.4
69.07063	32.3
71.01430	2.6
71.60797	3.0
79.05511	13.5
81.07056	22.8
83.05003	3.0
83.08621	100.0
85.06519	5.6
91.05489	10.5
93.07047	10.3
95.04984	6.2
95.08617	12.1
97.06542	7.3
97.10171	20.2
98.97613	5.0
105.07040	11.3
107.08613	17.7
109.06528	2.9
109.10143	8.0
111.08087	35.0
117.07010	5.4
119.08592	12.0
121.06476	3.0
121.10172	9.1
123.11750	3.5
125.09633	18.6
129.09120	36.4
131.08614	3.6
133.10110	5.3
135.08127	3.4
135.11714	7.3
137.05899	2.6
139.07576	6.6
143.10675	6.5
144.59398	2.5
145.10098	5.9
147.11734	4.7
151.07562	3.5
153.01822	26.8
157.08624	14.0
159.11769	3.4
163.07605	3.1
171.11642	4.3
173.13321	3.1
175.09665	60.9
189.11221	20.4
191.07051	5.5
213.72130	2.7
217.05173	2.9
228.04039	4.3
229.04947	6.7
245.04721	4.4
257.04675	3.7
271.16711	3.8
271.20441	4.2
273.03870	4.2
274.04697	5.4
285.03860	6.6
299.23560	3.5
302.04208	19.8
317.06592	68.6
317.09885	3.1
317.13901	3.7
317.17267	7.3
317.21069	12.0
317.24667	10.7
317.28360	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	317.1959
Annotation	oscr#15
Peak:m/z	Relative Intensity
53.03954	2.5
55.01871	8.5
55.05510	59.3
56.50358	2.5
56.96567	3.9
57.03423	2.5
60.04527	5.6
67.05505	18.5
69.03408	4.0
69.07069	25.3
71.04968	2.6
71.60904	3.5
79.05509	12.4
81.07066	20.7
83.04976	2.9
83.08620	100.0
85.06532	7.1
91.05480	10.5
92.02627	3.5
92.53788	2.6
93.07047	16.9
95.04967	6.3
95.08620	14.2
97.06532	7.6
97.10167	28.4
98.97564	4.7
105.07035	14.9
107.08617	16.3
109.06505	5.1
109.10159	8.3
111.08079	38.0
117.07008	4.2
119.08589	9.0
121.06493	2.5
121.10139	8.9
123.11647	2.8
125.09650	27.0
129.09111	47.2
131.08577	7.4
133.10120	9.8
135.11671	4.8
136.92551	2.8
137.06006	6.2
139.07550	10.0
143.10680	6.3
145.10133	6.1
147.11667	3.5
151.07483	3.5
153.01852	20.5
157.08624	14.0
157.10028	4.5
159.11697	6.2
161.13232	5.4
161.91895	2.6
163.07579	3.0
175.09662	71.3
175.11191	4.8
183.11868	2.9
189.11234	28.3
191.07002	5.7
228.04240	4.6
229.05032	5.1
245.04955	3.0
257.04797	3.4
273.04160	2.8
274.04807	7.7
285.04077	5.4
299.20242	3.5
299.23538	3.3
302.04184	14.2
317.06583	65.1
317.09903	4.1
317.13782	6.3
317.17322	6.3
317.20999	15.7
317.24823	7.1
317.28586	3.2
318.06845	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	317.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35954	0.7
56.96572	0.8
62.07115	0.6
63.14445	0.7
64.73306	0.7
66.90228	0.6
69.03430	0.7
71.05158	1.2
85.02917	1.5
86.09706	1.1
98.97562	0.9
110.97578	0.8
116.07014	0.6
128.98672	1.0
133.18234	0.6
137.05969	0.7
138.25993	0.8
143.03729	0.7
149.06026	0.9
155.06792	10.8
185.04233	11.0
188.12808	1.1
203.05341	5.1
219.01790	1.1
223.28789	0.7
246.64693	0.7
287.10352	2.0
299.10168	1.5
317.12109	100.0
317.15619	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	317.1956
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.40054	0.9
51.42347	0.9
53.03936	1.5
53.29818	1.1
54.57500	1.0
55.01860	1.4
55.05508	1.8
57.03429	2.1
57.07063	2.6
59.04993	1.0
61.02911	4.1
63.10692	1.0
65.04833	0.9
67.05502	3.8
69.03429	11.4
69.07056	3.4
69.49087	1.1
70.09608	4.6
73.02914	2.1
79.05482	10.7
81.03416	2.9
81.07055	100.0
83.08634	1.2
85.02901	60.8
85.38338	1.0
87.04489	1.1
89.90046	0.9
91.05460	3.3
93.07055	8.0
95.04939	1.0
95.08604	16.3
97.02879	8.7
98.20796	1.2
99.04415	2.0
103.03972	1.0
105.07023	4.6
107.08595	6.5
109.02874	5.3
109.06511	2.5
109.10152	3.6
111.04423	1.6
115.03886	2.2
116.60674	0.9
117.06970	1.3
119.08574	4.6
121.10116	2.7
122.56549	1.2
123.11717	1.3
127.03900	13.8
129.05443	2.5
131.08543	3.5
133.06432	1.0
133.10109	3.9
135.11711	6.4
137.05974	1.8
137.09647	1.4
137.13248	34.1
143.08525	1.0
145.04965	12.0
145.10135	1.6
147.06564	1.1
147.11685	2.8
149.05983	2.8
149.13278	2.8
153.01849	3.5
157.10175	1.7
161.13220	2.7
163.06003	10.4
173.13281	2.6
175.14804	1.0
177.12828	1.2
185.13417	1.1
245.15350	1.3
257.04630	1.3
263.16391	2.2
281.17569	2.4
285.03958	1.3
302.04172	2.9
317.06641	12.5
317.10144	1.9
317.19623	3.2
317.24768	2.0
331.93735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
56.96549	1.8
65.03944	7.0
67.05493	3.4
68.99797	1.3
69.03413	1.9
69.07063	1.4
71.61043	1.2
79.05490	3.1
81.07088	1.9
85.02901	2.7
86.09705	1.6
89.03921	5.7
91.05466	3.7
93.03417	9.9
94.04184	2.4
95.04969	2.7
98.97598	3.1
103.05461	4.4
107.04965	8.6
109.06535	1.8
111.04430	11.7
116.98624	1.2
117.03387	5.1
121.06499	3.6
122.03658	4.9
123.04413	5.7
125.05981	14.6
125.72110	1.0
127.03874	1.0
131.04939	4.3
132.04626	1.6
133.02888	1.6
134.03619	2.4
135.04449	1.8
137.05977	61.9
139.03827	1.0
141.05470	1.2
145.76497	1.3
147.36401	1.2
149.05984	100.0
150.03099	1.6
151.03941	3.6
153.05472	35.6
153.06743	2.0
155.06819	14.4
163.03893	2.5
163.07552	2.6
165.05479	23.6
169.06387	1.4
177.05464	16.3
185.04210	12.0
193.05035	2.3
197.05968	2.8
201.05559	1.6
203.05267	7.4
213.05550	1.4
214.06244	1.1
219.02042	1.2
227.07106	2.8
229.04977	5.2
229.08568	2.6
229.42308	1.1
239.07143	1.5
241.26038	1.1
243.06734	1.4
255.06560	5.3
256.07288	2.1
257.04489	4.2
257.08209	1.7
259.09616	7.0
271.05969	1.7
272.06790	32.9
272.09729	1.7
274.02267	1.2
287.09128	13.7
289.10654	12.6
299.09778	5.1
307.39230	1.1
317.06400	2.4
317.12088	92.1
332.13300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
55.01864	0.5
55.05501	0.6
57.70665	0.3
67.01865	7.9
67.05514	0.5
67.27106	0.3
67.55511	0.3
68.88076	0.3
68.99791	3.3
69.03432	1.2
70.31304	0.6
70.31709	0.8
79.01849	0.6
79.05486	1.5
81.03410	0.8
81.07062	1.8
83.01333	0.7
85.02873	0.4
89.44143	0.3
91.05483	1.5
92.02585	0.4
93.03370	0.5
93.07056	1.1
95.04961	0.9
95.08614	0.8
97.02914	1.6
103.05460	1.3
105.07037	2.4
106.04970	0.4
107.04976	0.5
107.08600	1.3
109.06476	0.4
109.10156	0.5
111.00816	0.5
116.46705	0.3
117.07088	0.4
118.04122	0.5
119.04954	1.0
119.08581	1.0
120.05710	0.7
121.02970	0.3
121.06444	0.4
121.10106	0.4
123.04430	1.1
124.05198	1.3
125.02363	0.9
127.03948	0.7
129.01811	0.5
131.04994	0.4
132.05695	2.1
133.02888	1.0
133.06483	1.4
133.10115	0.7
135.04318	0.4
135.08002	0.4
135.11726	0.5
137.05969	1.0
139.07567	1.7
147.04424	0.8
147.11658	0.7
148.05186	5.3
149.05943	0.4
150.06758	1.7
151.03941	0.8
151.07545	3.5
153.01825	100.0
157.10054	0.3
160.05222	1.2
163.07539	10.7
165.05432	0.6
165.09129	5.5
167.03459	0.4
167.07115	0.4
169.06351	0.4
171.02882	21.7
172.00792	0.3
176.04662	2.0
179.01830	0.5
179.03397	12.1
191.07027	42.2
201.05391	0.4
217.04991	0.4
228.04163	0.5
229.04971	0.6
245.04385	0.4
257.04456	0.5
262.97861	0.3
271.09525	0.4
272.06833	0.3
274.04657	0.6
275.09335	0.6
285.03903	0.5
299.09152	1.9
302.04153	1.7
315.36841	0.3
317.06522	8.7
317.10144	35.9
317.24658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	1.2
55.05493	1.1
65.03939	0.6
67.05508	1.8
68.99792	1.9
69.03430	0.7
69.07058	1.4
71.04989	1.1
71.09411	0.3
71.61380	0.4
79.05495	1.4
81.03413	0.9
81.07059	5.5
83.04986	0.8
84.05844	0.3
85.02944	0.3
85.06540	0.6
87.04486	0.3
89.03915	1.5
91.05480	1.3
92.02630	0.8
93.03403	1.0
93.07056	2.2
95.04967	0.5
95.08602	2.3
97.02934	0.6
97.10175	0.5
99.04457	0.9
99.24527	0.4
103.05436	0.5
105.07027	1.5
107.08577	2.0
109.02859	0.5
109.06527	0.8
109.10149	1.7
111.04433	1.4
117.03377	5.2
119.08575	1.8
121.02865	0.9
121.06457	0.4
121.10198	1.4
122.03637	0.5
123.04471	0.3
123.11704	0.9
124.01605	2.5
125.06022	0.4
125.09667	0.3
126.03119	0.4
127.03930	0.5
129.06981	0.5
130.91003	0.3
131.04901	0.5
131.08572	0.6
133.10094	1.2
135.11684	1.3
137.02382	0.7
137.05977	2.5
137.09641	0.6
138.05537	0.6
139.03935	1.1
139.63655	0.3
141.05461	0.5
143.08568	0.5
144.08066	0.4
145.02852	9.3
145.10092	0.8
147.11633	0.7
149.05972	3.0
149.09525	0.4
149.13263	0.6
152.01051	4.6
153.01826	5.4
153.05496	0.7
157.08939	0.3
157.10115	0.6
159.11765	0.4
163.03911	0.3
163.14859	0.6
165.05467	0.3
166.04967	0.4
167.03400	100.0
168.03781	0.5
170.02100	3.3
172.11250	0.8
174.12863	0.4
175.14819	0.5
177.05466	15.8
185.04448	1.5
189.09074	0.4
189.16486	0.5
193.04999	0.4
200.10707	1.2
201.05513	1.0
202.12183	0.4
203.03380	0.4
203.17908	0.4
213.12709	0.6
213.83453	0.3
217.04901	0.7
218.05692	0.4
218.11746	3.3
228.04170	0.9
228.10216	1.2
229.04977	2.0
231.13853	0.4
245.04475	1.0
246.05249	0.5
246.11252	1.9
257.04483	1.5
271.20447	0.4
273.04001	0.7
274.04715	1.6
275.09259	0.9
285.03894	2.2
287.09714	0.3
289.11658	1.0
299.10043	1.0
299.20126	0.7
302.04236	5.9
317.06534	25.4
317.10281	39.1
317.21063	1.7
317.24792	1.0
318.07092	0.4
318.10562	0.7
331.03745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
55.01882	0.4
64.74672	0.3
67.01868	4.1
67.05492	0.4
68.99787	2.3
69.03439	1.8
69.35358	1.4
69.35784	1.2
78.47895	0.3
79.05495	1.1
81.03398	0.6
83.01340	0.6
91.05494	0.9
95.04944	0.5
97.02882	1.2
98.40273	0.3
103.05444	1.4
105.03390	0.6
105.07014	2.2
107.04971	0.7
111.00797	0.4
116.30980	0.3
119.04960	1.6
120.05743	0.9
123.04424	1.0
124.05234	1.2
127.03941	0.3
131.04932	0.4
132.05736	2.4
133.02831	1.7
133.06508	1.7
135.04430	0.4
135.08044	0.4
137.05847	0.3
139.07573	2.9
147.04405	1.2
148.05191	7.8
150.06787	1.5
151.03912	1.0
151.07561	3.3
153.01831	100.0
154.02112	0.8
160.05228	1.8
161.06032	0.3
163.07549	15.0
165.09120	4.6
167.07054	0.4
171.02890	12.2
176.04681	2.2
178.21289	0.3
179.03406	11.7
180.48904	0.3
191.07034	56.4
192.07390	0.4
196.62103	0.3
219.26344	0.3
220.19679	0.3
229.04880	0.4
237.05524	0.4
265.84384	0.3
275.09436	0.5
288.58502	0.3
299.09171	1.0
302.04144	0.6
317.06897	1.5
317.10196	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66692	0.2
65.03921	0.7
67.01866	0.2
67.05499	0.3
68.99800	0.5
69.07056	0.2
70.85547	0.6
79.05491	0.2
81.07027	0.8
91.05507	0.3
92.02621	3.2
93.03403	3.2
93.07066	0.3
95.01318	0.2
95.08599	0.7
100.35697	0.2
107.08553	0.3
107.13308	0.2
109.02851	0.2
109.10120	0.3
111.00803	0.4
117.75525	0.2
119.08554	0.3
121.02859	2.0
121.10121	0.2
122.03640	0.3
126.03098	1.2
133.02873	0.3
135.04420	0.2
137.02379	0.6
137.06020	0.3
139.03902	1.8
151.03920	1.5
153.01831	20.0
155.04913	0.3
163.03920	0.2
165.01811	1.2
166.02589	0.4
172.05167	0.3
173.05957	0.3
177.05466	0.5
183.02863	0.2
183.04408	0.5
187.03926	0.4
190.06267	0.3
191.03517	0.3
192.04250	0.4
200.04675	0.8
201.05481	1.8
203.03377	1.9
204.04128	0.3
217.04959	3.4
218.05687	1.3
219.02864	0.7
228.04158	3.5
229.04965	7.8
231.02820	1.0
243.06509	0.4
245.04401	4.0
245.06677	0.3
246.05238	3.4
256.03699	0.5
257.04434	4.3
258.04947	0.3
260.03156	0.8
261.07544	0.6
271.06107	0.3
273.03888	3.4
274.04736	7.0
281.67303	0.3
284.03125	0.7
285.03949	8.7
286.04608	0.3
287.01804	0.4
288.06296	0.3
301.03439	0.5
302.04211	22.9
317.06555	100.0
318.06985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.67700	0.2
61.86949	0.1
63.02419	0.1
63.52304	0.1
65.03940	0.8
68.99850	0.4
70.08194	0.2
70.95181	0.3
74.55657	0.2
75.71101	0.1
92.02626	3.1
93.03417	2.7
94.04247	0.2
95.05006	0.2
111.00834	0.4
120.02126	0.3
121.02876	2.5
122.03725	0.4
124.05244	0.2
126.03107	1.1
135.04480	0.2
137.02437	0.5
139.03909	1.4
145.06572	0.2
149.02454	0.2
150.03287	0.3
151.03906	1.7
151.04883	0.2
152.01111	0.3
153.01830	17.8
155.05014	0.4
163.03969	0.4
165.01807	1.2
166.02698	0.4
172.05255	0.2
173.06067	0.5
176.04657	0.2
177.05501	0.3
179.03468	0.4
183.02957	0.4
183.04454	0.5
187.03973	0.3
189.05402	0.3
190.06277	0.4
192.04292	0.2
200.04790	0.6
201.05482	1.9
203.03317	1.3
204.04333	0.2
217.04980	3.3
218.05769	1.2
219.02959	0.6
228.04167	3.8
229.04968	7.5
230.05666	0.2
231.02846	1.1
232.03766	0.3
233.04355	0.1
243.06529	0.2
245.04471	4.5
246.05257	3.7
246.07765	0.2
256.03775	0.7
257.04446	5.1
259.02573	0.2
260.03067	0.8
261.07654	0.4
271.06058	0.5
273.03906	3.3
273.06631	0.2
274.01688	0.2
274.02426	0.1
274.04715	6.6
284.03201	0.9
285.03940	7.7
286.04633	0.2
287.01831	0.3
288.06488	0.3
301.03418	0.4
302.04224	20.1
303.04672	0.2
317.06561	100.0
318.06812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27827	0.3
65.03958	0.6
69.46403	2.4
69.46786	0.4
73.35249	0.3
76.47942	0.3
78.89375	0.3
83.00427	0.3
92.02622	2.9
93.03411	2.2
109.02908	0.3
111.00799	0.3
121.02859	2.4
122.03634	0.4
126.03145	1.0
131.04929	0.4
136.01628	0.3
137.02341	0.6
138.17909	0.3
139.03888	1.2
151.03867	1.7
153.01828	16.6
165.01854	1.4
173.06058	0.4
177.05458	0.4
183.04459	0.4
200.04686	0.7
201.05542	1.8
203.03418	1.4
217.04965	2.5
218.05734	1.5
219.02895	0.9
228.04193	3.4
229.04951	6.5
231.02956	1.1
245.04489	3.4
246.05203	3.0
256.03827	0.6
257.04449	3.8
261.07590	0.6
271.06061	0.6
273.03952	3.5
274.04742	6.5
284.02988	0.4
285.03961	7.5
301.03427	0.4
302.04214	22.3
303.04446	0.4
317.06561	100.0
318.06866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05514	5.1
56.05042	3.1
57.07074	1.6
60.04528	100.0
67.05509	7.2
69.07059	4.5
70.06602	1.1
70.18143	3.1
71.08634	1.1
72.04529	1.1
74.06086	2.5
79.05521	3.2
80.05023	0.9
80.41333	0.5
81.07060	7.9
82.06573	1.0
83.08624	3.1
86.25962	0.6
90.05547	1.4
91.05492	2.3
93.07054	4.0
94.06590	0.9
95.08604	7.6
97.10172	1.5
98.06075	0.7
98.21403	0.9
100.07602	0.6
105.07032	1.2
107.08617	1.9
109.10152	3.0
119.08561	1.1
121.10170	2.0
123.11727	1.1
133.10092	1.0
135.11707	1.1
160.69943	0.6
250.25356	1.6
262.25339	1.4
280.26382	10.6
298.27451	11.8
316.28473	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	317.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.9
56.40986	4.8
56.96556	11.5
57.03426	7.1
61.02909	9.2
69.03436	28.7
70.82152	9.4
70.82487	8.1
72.08122	6.2
73.02911	11.4
75.06931	4.9
77.54806	5.0
81.03422	8.7
84.08113	4.8
84.96043	10.4
85.02917	46.0
97.02908	23.9
98.97603	38.8
101.00878	22.1
110.97561	14.5
112.09968	4.9
112.99156	11.1
113.00893	8.7
115.02426	5.1
116.98563	10.0
119.01900	15.4
127.03938	12.7
128.30000	4.9
128.98662	6.0
131.01891	11.3
132.51718	5.4
133.03467	7.0
136.06207	8.7
136.93120	65.6
140.98764	5.3
143.01895	17.8
145.03453	11.0
145.04927	5.4
147.05025	5.7
154.94194	93.5
155.00165	6.2
155.01904	13.9
155.04620	12.4
158.99646	14.5
161.02943	21.5
163.04486	5.0
172.95264	64.8
173.01350	7.9
173.02902	9.9
175.04465	6.4
177.00714	7.2
185.02859	8.7
190.96230	8.2
196.95174	27.7
203.03864	12.6
211.04501	16.6
214.05902	6.3
214.96304	72.1
219.01767	14.2
221.04880	5.3
226.96283	11.9
227.06769	16.4
232.97289	11.2
236.07451	6.7
237.02708	16.4
244.97304	16.5
257.01617	6.4
257.05096	8.4
259.06647	7.6
284.55441	5.4
316.99313	13.7
317.06314	100.0
317.12079	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	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85061	0.5
53.03926	0.6
55.05503	3.6
56.05029	4.8
57.03447	1.1
57.07075	2.5
60.04525	100.0
67.05504	8.6
68.05015	0.9
69.07064	4.2
69.66970	3.8
70.06593	1.3
71.08638	0.7
72.04501	2.7
74.06075	2.4
79.05495	3.7
80.05019	1.2
81.07056	8.2
82.06582	1.1
83.04944	0.8
83.08607	4.1
85.99967	0.6
86.06059	0.6
87.04488	3.1
88.07626	0.9
90.05549	1.9
91.05463	2.2
93.07047	3.8
94.06595	1.0
95.04938	0.7
95.08611	7.8
96.08108	0.9
97.06551	0.7
97.10185	1.7
100.07657	0.9
105.07026	1.5
107.08607	1.5
109.10149	2.7
112.11954	0.6
119.08585	1.5
121.10149	1.5
123.11721	0.8
133.10172	0.8
135.11711	1.2
147.11581	0.6
174.36353	0.6
250.25327	1.1
256.26318	1.6
262.25302	1.4
268.26306	1.4
275.44379	0.6
280.26328	13.8
298.27408	12.7
298.30661	0.9
315.34802	0.6
316.28467	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
54.34558	2.4
55.01867	4.3
55.05518	26.3
56.54670	2.1
56.96569	3.3
57.07079	2.9
59.04979	2.5
62.60071	2.3
66.45991	2.3
67.05509	79.0
69.03431	4.6
69.07069	34.1
69.40605	18.6
71.04992	6.5
73.06540	2.7
79.05506	25.2
81.03417	2.3
81.06570	5.4
81.07058	100.0
83.04983	6.7
83.08617	15.0
85.06540	7.3
91.05491	12.5
93.07056	37.7
95.08612	90.6
96.66509	2.4
97.06528	7.4
97.10165	10.8
97.11228	1.9
98.97578	5.4
105.07039	24.6
107.08597	26.8
109.06587	4.3
109.10161	47.0
111.08065	3.1
111.11745	3.1
117.07023	4.2
119.08588	16.5
121.06448	2.7
121.10150	25.4
123.08072	4.3
123.11713	18.4
125.09629	4.4
127.07552	3.4
131.04955	4.2
131.08553	11.3
133.10129	13.3
134.93224	2.0
135.08054	4.5
135.11699	16.8
137.05994	6.1
137.09596	3.3
137.13283	9.2
139.11221	3.9
143.08539	2.4
145.10121	12.1
146.03618	2.3
147.11694	10.2
149.13287	6.9
151.07556	4.2
151.11160	3.8
151.14769	3.6
152.06226	3.8
157.10100	3.9
159.11693	8.2
161.06009	24.6
161.13290	9.7
162.79666	2.4
163.14844	3.5
165.07019	8.7
165.12726	4.7
166.07756	3.8
167.08582	5.2
168.52127	2.2
171.11700	2.6
173.13269	7.7
175.14830	7.0
177.06992	6.7
177.16486	2.3
179.14330	3.2
180.05638	2.6
187.14838	6.4
189.16357	3.4
189.86763	2.6
190.17160	2.7
191.07011	4.4
193.06496	3.7
194.07268	6.4
195.08032	12.9
195.13824	4.3
197.05994	3.0
199.14746	3.2
205.06429	3.3
208.05182	3.7
209.06024	4.5
209.15260	3.6
211.07584	3.1
211.14711	2.2
212.08090	2.5
216.68289	2.0
221.06021	2.4
222.06786	4.7
223.07544	23.2
223.16957	3.0
224.08479	2.9
237.09120	5.3
239.07031	5.2
240.07809	8.5
241.08661	3.7
243.21129	10.3
251.07076	9.3
253.08696	2.5
255.10136	16.8
255.43678	2.5
261.18576	3.7
261.22125	25.0
268.07364	4.5
269.08139	5.8
269.12836	3.5
279.23215	96.8
280.23621	2.8
283.09680	69.1
284.10281	6.2
291.61963	2.8
297.24329	6.3
315.08524	4.1
315.12186	23.8
315.19562	4.9
315.23209	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	315.2531
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.05513	24.1
57.07067	6.4
67.05171	4.4
67.05507	78.4
68.35625	3.1
69.07068	29.5
69.50161	24.6
71.04977	9.1
79.05514	21.4
79.30426	3.0
81.07056	100.0
83.04984	5.5
83.08613	14.8
85.06527	9.3
91.05484	13.4
93.07049	28.0
93.83467	3.2
95.08036	6.0
95.08611	96.1
97.10159	11.0
99.08102	5.5
105.07017	11.9
107.08594	22.7
107.09202	3.4
109.10156	44.3
111.08092	7.0
117.07053	3.9
119.08586	13.8
121.10178	23.9
123.08105	3.9
123.11751	19.9
125.75560	3.6
131.08589	9.4
133.10124	12.1
135.11670	16.3
137.13263	8.5
145.10133	9.7
147.11647	10.4
149.09607	4.0
149.13235	6.1
151.11104	4.2
151.14818	6.6
153.66774	3.7
159.11662	5.7
161.13257	12.9
165.12796	4.3
173.13234	6.1
175.14835	5.0
179.14328	5.5
180.87398	3.2
187.14723	4.8
189.16393	3.3
196.11461	3.9
227.25284	3.8
243.21025	9.8
261.22214	16.6
264.06583	3.9
279.23203	52.7
297.24271	9.2
315.23221	8.2
315.26730	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2531
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.01893	5.1
55.05518	34.3
57.07067	8.6
60.04526	18.1
60.15092	5.1
67.05507	81.5
68.88843	4.3
69.07063	30.7
70.30591	15.3
71.04987	10.9
71.08571	4.7
71.31338	4.0
79.05488	33.1
81.07059	100.0
83.08617	20.6
85.06543	9.2
91.05495	17.2
93.07038	27.4
95.08606	89.6
97.06530	9.5
97.10210	9.4
98.20850	4.7
105.07034	14.6
107.08585	23.9
109.10155	49.1
117.07053	4.9
119.08584	14.7
121.10173	29.5
123.11703	28.5
124.63770	4.6
131.08548	9.1
133.10121	8.8
135.11700	18.2
137.13225	9.2
139.91278	4.0
145.10114	10.0
147.11691	10.9
149.13222	6.0
151.11189	5.9
159.11688	8.5
161.13293	10.6
165.12802	5.9
173.13252	5.9
175.14787	7.8
179.14351	8.9
243.21140	12.4
261.22168	28.8
279.23175	78.3
297.24225	6.2
315.23218	5.4
315.26678	5.1
316.28326	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	315.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21124	1.6
55.05516	19.3
56.96565	5.2
57.07054	2.4
59.04989	1.8
59.25564	2.0
60.04511	2.4
62.24385	1.8
64.86272	2.0
67.05507	28.5
67.08946	1.8
68.31348	1.8
69.07063	13.0
70.24114	7.5
71.04984	5.9
73.00647	2.1
73.42274	2.1
79.05502	12.0
81.07053	32.2
83.04951	2.2
83.08634	22.6
91.05467	8.5
93.07042	15.9
95.04970	3.2
95.08613	100.0
97.06553	4.6
97.10172	10.1
98.97575	6.0
105.07029	6.2
107.04890	1.8
107.08588	10.6
109.06579	2.1
109.09433	3.3
109.10156	39.8
111.08094	4.7
116.98624	2.9
117.07063	3.4
119.08570	6.1
120.90612	1.9
121.06511	1.8
121.10135	7.3
123.08080	10.2
123.08849	1.8
123.11726	16.5
125.09613	8.2
127.11198	16.6
127.92341	1.9
129.09079	2.5
131.08546	4.6
133.10115	8.0
135.08012	2.2
135.11700	2.5
139.07590	4.3
141.09126	4.2
141.12721	5.0
145.10127	4.7
147.08151	2.4
147.11693	4.9
153.09039	3.3
157.08623	2.9
157.10109	2.2
159.10161	9.1
159.11696	4.7
161.05872	3.8
161.13243	4.6
169.12218	3.2
171.11713	2.3
173.11693	3.0
173.13135	2.2
175.09660	4.4
181.10283	2.4
185.13165	2.5
187.13283	18.2
189.09698	2.2
189.11139	10.1
195.08136	2.4
199.14775	2.7
238.45316	2.0
249.16032	2.0
255.10072	3.9
261.18597	2.2
269.22482	6.4
279.19650	5.7
283.09604	7.5
287.15225	2.2
297.20581	3.7
315.07547	8.5
315.11530	2.4
315.15723	4.8
315.19458	6.7
315.23053	11.7
315.26825	3.7
316.28503	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38089	2.8
50.65218	2.4
52.61574	2.4
52.87690	2.5
53.00320	2.3
53.03947	5.2
55.01873	14.3
55.05507	33.9
56.96564	5.1
57.03431	24.0
57.07080	4.3
59.05008	3.7
61.02928	14.4
67.05498	8.2
69.03424	31.5
69.07072	21.6
71.01342	4.3
71.04992	40.5
71.44984	3.7
73.02917	18.3
79.05498	16.9
81.03407	11.2
81.07050	25.8
83.04983	6.3
83.08625	4.2
85.02902	43.9
87.04466	3.5
91.05477	27.3
93.07038	36.4
94.04203	3.5
95.04954	13.2
95.08590	15.9
97.02872	14.7
97.06536	5.9
98.97597	6.7
99.04464	2.4
103.03937	6.3
103.05477	3.6
105.07033	51.0
107.04951	7.0
107.08591	38.7
107.70929	2.3
109.02901	2.9
109.06519	30.3
109.10155	8.6
111.08057	3.7
115.03941	12.6
115.05414	4.5
116.98594	4.1
117.07026	14.6
119.04972	3.8
119.08572	43.5
121.06503	13.9
121.10146	9.8
122.03649	8.2
123.04444	17.5
123.08076	19.1
128.06198	5.3
129.05466	5.4
129.07024	7.3
131.08583	22.9
133.04941	17.7
133.06499	7.5
133.10083	6.2
135.08044	7.9
135.11690	18.3
137.05972	100.0
137.09612	7.9
139.11113	3.1
141.07043	3.0
143.08594	15.1
145.06487	5.7
145.10121	24.3
147.08023	23.1
147.11661	11.3
149.09615	10.5
149.13342	2.5
151.07544	3.8
151.11172	10.7
153.12738	9.5
155.08563	7.1
158.07304	3.4
159.08061	8.3
159.11681	12.0
161.09654	6.8
161.13203	3.6
163.11186	10.6
165.06984	3.9
165.12761	57.4
171.07965	3.7
171.11693	4.2
173.09590	22.0
173.13248	6.7
175.07512	5.4
177.05496	2.8
177.12767	19.0
181.06465	3.6
183.08025	3.3
183.11685	3.4
189.12755	13.1
191.10687	7.8
193.08707	3.7
195.07803	3.3
201.12743	5.1
207.13788	5.2
215.06964	3.3
219.13876	5.7
220.82077	3.0
227.07011	7.5
229.05020	2.7
231.13809	6.2
243.13847	8.8
255.06497	12.0
259.09692	36.4
261.14832	9.4
279.15857	11.0
283.06049	4.2
287.09128	29.4
297.17026	4.7
315.08444	22.1
315.14148	8.0
315.18057	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01881	19.2
55.05515	39.6
56.96552	12.0
57.03429	25.4
59.04991	9.6
61.02910	13.2
67.05502	21.3
69.03431	34.7
69.07073	18.2
69.34223	19.8
69.34644	8.3
71.01328	7.3
71.04990	46.7
73.02921	30.2
79.05489	22.2
81.03424	16.2
81.07058	36.6
83.04974	9.7
83.08598	4.2
85.02918	58.5
85.06528	4.1
87.04457	6.5
89.14233	3.5
91.05478	100.0
93.07053	54.5
93.74817	3.2
95.04964	15.3
95.08585	23.3
97.02888	18.5
97.06518	12.0
98.20739	5.7
98.97573	20.7
99.04471	6.1
103.03944	11.8
103.05444	6.7
105.07029	55.6
107.04986	7.8
107.08585	56.7
109.02872	5.3
109.06528	33.8
109.10172	21.3
110.97550	4.3
111.04447	6.6
111.08059	6.3
115.03928	10.9
115.05378	3.6
116.98579	8.1
117.07019	18.2
119.08568	47.3
121.06539	12.8
121.10142	13.1
123.08050	23.3
123.11623	4.0
127.03891	6.3
127.11206	5.2
128.98592	5.7
129.05478	7.5
129.06996	8.5
131.08580	27.8
133.04982	26.5
133.06454	10.3
133.10107	10.2
135.08055	8.0
135.11676	20.0
137.05972	12.7
137.09602	12.6
137.13255	5.1
138.09175	4.2
139.11206	5.0
141.06900	3.6
143.08522	11.7
145.05043	3.9
145.06442	5.6
145.10107	28.6
147.08035	27.3
147.11679	14.5
149.09590	11.2
151.03893	4.4
151.07529	4.9
151.11188	10.4
153.12721	16.9
155.08553	7.4
157.10124	4.5
158.07268	4.0
159.08049	7.7
159.11697	13.2
161.06009	8.3
161.09521	4.6
161.13278	5.9
163.07628	4.4
163.11162	14.5
165.12753	65.2
167.07034	3.7
171.07990	6.3
171.11630	7.8
173.09633	28.8
173.13251	11.7
175.07596	7.2
175.11159	6.0
177.11307	3.4
177.12714	19.9
183.08101	4.1
189.12737	14.8
191.10611	7.2
195.08116	8.3
201.12761	7.8
207.13847	7.8
208.05159	7.2
215.14395	4.8
219.01773	4.3
219.13835	11.0
231.13799	6.0
243.13881	9.9
249.02864	3.9
255.10283	5.0
261.14819	16.4
269.08224	4.5
279.15854	13.7
283.09674	10.4
287.10138	5.3
291.03845	6.1
297.16949	8.1
315.08160	15.1
315.13898	23.3
315.17972	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	6.5
53.03949	11.3
55.01871	19.7
55.05513	33.0
56.96558	11.9
57.03442	25.0
57.07072	7.9
59.04998	8.6
61.02930	14.4
64.49157	4.7
67.05515	24.6
69.03428	43.0
69.07063	31.4
69.79079	28.0
70.23693	4.9
71.01345	10.4
71.04993	98.9
73.02928	26.0
73.99679	4.8
79.05498	34.5
79.05871	5.8
80.56938	4.5
81.03416	28.1
81.07060	47.0
83.04998	8.6
83.08632	5.6
85.02905	88.3
87.04450	9.5
91.05489	60.5
93.07043	55.5
95.04974	22.6
95.08601	32.3
97.02880	37.3
97.06530	19.2
98.97594	26.2
103.03941	14.9
105.07029	100.0
107.04949	13.5
107.08593	66.4
109.02914	6.4
109.06522	38.1
109.10166	19.9
111.04453	7.1
111.08064	10.5
115.03941	16.0
115.05450	7.3
116.98589	12.0
117.07011	23.8
119.08582	80.4
121.06500	19.2
121.10150	14.8
123.04424	9.5
123.08101	36.4
123.11686	7.8
125.13269	4.9
127.03941	9.4
128.06252	11.1
129.05489	12.4
129.06993	16.4
131.08574	55.5
133.04987	24.3
133.06485	12.8
133.10126	14.1
135.08041	17.7
135.11696	23.4
137.05975	39.1
137.09596	25.7
139.11186	7.0
141.07025	5.4
143.08585	31.4
145.06471	8.6
145.10143	47.4
147.08028	69.3
147.11681	19.4
149.09622	19.7
151.07532	6.9
151.11206	16.2
153.12758	19.1
155.08557	13.8
157.06432	4.8
157.10155	6.4
158.99660	7.4
159.08069	19.3
159.11690	19.8
161.05994	6.0
161.09677	13.3
161.13252	5.5
163.11183	22.1
165.06958	8.9
165.12769	77.8
171.08099	8.3
171.11705	16.2
173.08212	8.7
173.09605	59.0
173.13255	26.4
175.07542	17.1
177.12743	27.8
183.11578	6.5
187.11188	7.9
189.09184	5.5
189.12743	20.1
191.10675	14.0
193.08652	5.9
193.12372	4.6
195.08031	8.3
195.13815	7.9
197.13322	5.9
201.12785	8.5
207.13840	12.5
211.09605	6.3
219.13838	12.5
231.13776	17.3
243.13850	13.0
253.08739	4.8
255.06586	5.0
259.09711	13.2
261.14832	19.8
265.08521	6.0
279.15958	18.2
283.09531	6.6
287.09375	12.9
297.16953	7.3
315.08017	12.3
315.14011	50.4
315.17941	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.5
55.05514	30.8
57.03432	24.6
57.19373	3.2
59.04986	10.0
61.02921	25.5
67.05499	16.3
69.03439	39.9
69.07072	21.1
71.01360	7.8
71.04639	6.2
71.04996	86.6
71.15483	8.8
71.86649	3.4
73.02920	25.5
79.05493	30.0
81.03435	20.7
81.07067	35.0
82.70034	3.8
83.04984	8.1
83.08601	4.5
83.30426	3.3
85.02418	4.5
85.02907	75.6
86.06084	7.1
87.04481	5.9
91.04957	5.2
91.05483	61.1
93.07050	54.2
95.05002	18.8
95.08611	28.4
97.02905	32.2
97.06540	7.1
99.04473	4.3
99.08105	5.3
103.03922	12.1
105.06371	6.4
105.07037	100.0
107.04946	9.4
107.08601	54.6
109.02874	5.7
109.06527	37.3
109.10170	16.4
111.04480	7.7
111.08099	6.6
115.03922	15.1
115.05450	6.6
116.06081	3.7
117.07008	17.6
119.08590	83.0
121.06499	16.6
121.10126	14.0
123.04448	5.7
123.08074	33.3
123.11686	5.9
128.06241	12.5
129.05507	12.1
129.07021	14.3
130.07806	8.5
131.04990	3.7
131.08575	53.1
133.04958	16.5
133.06505	10.7
133.10138	18.7
134.85124	3.9
135.08075	12.2
135.11699	25.8
137.05994	5.2
137.09634	14.5
139.07513	4.4
139.11182	10.0
142.07710	4.5
143.08574	24.9
145.06493	11.2
145.10110	46.5
147.08064	69.1
147.11684	18.4
149.05971	4.9
149.09619	13.0
151.11234	21.9
153.12769	19.4
155.08565	8.8
157.06491	5.2
157.10141	7.6
159.08066	16.8
159.11690	14.9
161.09604	8.6
161.13252	9.2
163.11205	20.1
165.12772	62.8
167.08473	4.2
171.08057	9.6
171.11647	11.7
173.09604	39.8
173.13287	18.6
175.07550	13.8
175.11186	6.3
177.12758	30.9
179.10542	3.8
181.12294	4.8
183.11699	9.9
189.12746	24.9
191.10699	16.5
193.12218	6.0
195.13759	6.3
197.13272	6.7
201.12761	8.4
207.13737	12.0
215.14336	4.6
219.13829	16.2
231.13846	15.3
243.13858	14.7
261.14810	20.3
279.15912	15.3
283.09665	5.6
297.17001	11.1
315.08542	8.4
315.12253	6.5
315.18143	15.7
315.26450	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01862	25.6
55.05511	40.3
57.03432	33.7
61.02909	18.5
65.89874	5.4
67.05496	19.0
69.03424	48.7
69.07061	19.8
71.04993	90.9
71.34579	14.0
73.02905	21.2
79.05508	30.8
81.03420	14.1
81.07054	53.9
83.04964	5.6
85.02902	81.7
85.98205	5.8
86.06026	10.0
91.05487	52.8
93.07050	50.2
95.04961	15.8
95.08595	29.8
97.02882	38.0
97.06528	11.1
103.03951	16.5
103.05450	6.9
105.06383	7.8
105.07034	100.0
107.04946	11.5
107.08596	73.1
109.02850	7.5
109.06504	29.6
109.10159	26.2
111.08086	11.9
115.03922	17.0
115.05415	6.9
117.07015	22.6
119.08585	94.3
121.06485	17.3
121.10140	21.2
123.04430	6.9
123.08060	20.1
123.11712	9.6
127.03944	10.3
128.06232	10.6
129.05476	10.9
129.07004	20.9
130.07779	8.7
131.08566	50.3
133.04964	17.8
133.06511	16.3
133.10065	14.4
135.08044	9.0
135.11696	21.4
137.05986	18.6
137.09604	11.9
137.13216	6.7
139.11227	8.6
143.08568	32.3
145.06537	7.3
145.10136	50.2
147.08043	55.0
147.11693	23.1
149.09579	18.9
151.11194	20.0
153.12741	23.4
154.40359	6.2
155.08601	8.3
157.10243	9.5
158.11754	22.6
159.08029	19.0
159.11688	18.2
161.09642	11.8
163.07468	6.9
163.11183	19.8
165.12741	76.7
171.08086	9.8
171.11713	7.1
173.09645	44.8
173.13248	22.9
175.07489	14.7
175.11212	5.9
177.12746	25.1
183.11682	9.2
187.11174	9.2
189.09026	7.6
189.12729	22.0
191.10672	14.0
193.08678	7.6
205.06575	8.7
207.13821	8.8
219.13809	11.4
224.31992	5.6
226.18095	6.0
231.13844	15.6
243.13803	7.5
261.14883	17.7
265.08572	15.2
271.14389	5.7
279.15909	18.0
297.11398	6.1
297.17004	15.3
315.12299	9.4
315.18027	17.9
315.26425	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72238	3.1
53.03941	7.2
55.01877	7.9
55.05509	11.7
57.03449	10.1
57.07054	3.1
58.65228	3.5
59.04998	4.0
61.02927	5.9
65.03959	3.8
67.05501	19.0
69.03431	32.0
69.07069	14.6
71.01331	3.1
71.04983	9.8
71.21160	6.5
73.02905	6.7
79.05487	26.5
81.03413	18.3
81.07069	44.1
81.57459	2.8
82.01992	3.7
83.04963	7.0
85.02907	77.2
85.06548	13.8
86.06061	14.5
86.09738	5.7
87.04453	4.2
91.05495	26.3
93.07041	91.8
95.04961	13.5
95.08601	35.4
97.02884	16.4
97.06535	6.1
98.97552	3.4
99.04461	5.3
103.03966	7.3
105.07021	37.6
105.97657	4.2
107.04971	5.5
107.08591	100.0
109.02863	10.6
109.06520	11.5
109.10151	10.0
111.04450	4.0
115.03966	4.6
117.07037	7.3
119.04990	3.8
119.08597	23.1
121.06475	6.6
121.10127	14.5
123.04415	6.6
123.08048	10.2
123.11738	8.8
127.03926	13.1
129.06987	6.6
130.12274	3.7
131.05000	4.4
131.08557	12.3
133.05011	7.0
133.06528	3.7
133.10161	10.1
135.08105	3.9
135.11696	79.9
136.49786	3.9
137.06013	9.2
137.09634	4.2
137.13295	3.9
138.06282	4.4
142.07707	3.6
143.08530	4.3
145.04955	6.4
145.10139	12.2
147.07944	5.1
147.11703	18.0
149.09650	6.1
149.13177	3.7
151.07529	12.3
151.11229	5.2
152.07892	5.0
153.08040	5.3
153.12732	31.3
157.10149	7.6
159.07933	4.9
159.11697	10.0
161.05962	5.1
161.13295	4.4
162.13869	3.3
163.07574	4.1
163.11185	13.0
165.07037	6.0
165.12750	55.7
173.13297	4.6
175.11197	4.2
177.06929	4.9
177.12881	3.9
181.12222	5.7
189.12816	9.5
193.12274	12.4
195.02899	16.7
201.12776	6.9
207.13757	3.3
215.14374	4.2
219.13747	6.5
222.06845	4.9
223.07556	5.3
226.18025	9.7
231.13860	11.2
240.07861	4.0
243.13860	6.2
249.14836	4.9
261.14832	18.8
265.08539	8.9
279.15945	23.8
283.09702	11.8
297.11676	5.0
297.17078	21.8
315.12323	11.0
315.18121	24.9
315.26328	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19331	0.7
56.96562	1.0
57.03452	0.7
69.03422	1.6
69.07053	0.7
71.05015	0.7
71.60957	0.8
72.04199	0.6
72.08153	0.7
73.02916	1.0
81.03423	1.2
84.08130	0.8
85.02918	1.8
85.06565	0.8
86.09700	1.3
89.85914	0.6
91.05493	1.0
97.02904	1.1
98.97572	2.5
101.51853	0.7
107.04959	2.3
110.97584	0.7
111.04448	1.1
116.98663	0.8
123.04445	0.8
124.13760	0.6
129.05659	0.7
131.04938	1.4
135.09140	1.6
137.05983	2.2
144.10548	0.6
145.31900	0.6
146.03621	0.7
147.04367	0.7
152.06221	1.0
153.05482	5.2
153.06670	0.7
153.10278	1.0
161.06020	2.8
163.03911	1.3
165.07022	1.1
167.08562	0.8
175.07512	0.6
181.06512	0.9
194.07277	0.6
195.08115	1.2
197.06047	0.8
208.05223	1.1
211.07645	0.9
218.07471	0.6
222.06924	1.0
223.07524	1.7
225.05511	0.8
225.09160	0.8
227.07335	0.9
239.06972	0.8
240.07808	1.0
241.04938	0.9
253.08853	0.7
255.10258	1.7
259.09674	1.5
265.08688	0.9
269.08133	0.9
283.06427	1.6
283.09708	6.8
287.09332	0.6
315.08310	4.3
315.14175	100.0
333.92944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
53.19960	0.4
70.72092	0.9
72.11856	0.4
82.06579	4.8
84.69769	0.4
85.02909	0.8
85.11488	0.4
85.58624	0.4
97.02905	0.6
98.97581	0.7
117.53864	0.6
143.01904	0.5
153.05351	0.8
153.06567	7.4
153.07791	0.5
159.68471	0.4
185.04146	0.8
195.07626	1.6
203.05286	5.2
219.96503	0.5
310.08752	0.5
315.10507	100.0
316.11008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1077
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
50.18805	2.1
55.01870	3.2
55.05518	2.7
56.12339	2.1
56.96561	8.1
57.03449	3.3
61.02911	2.8
69.03428	9.4
69.84533	2.1
70.72719	2.0
71.04987	3.3
71.60851	2.2
73.02913	8.9
74.84447	2.6
79.05504	4.3
80.94118	2.0
81.03411	5.2
81.07070	4.3
85.02903	21.9
86.09707	3.8
87.04497	3.0
91.05485	5.3
93.07069	3.9
95.05030	3.5
97.02893	8.8
98.97588	13.3
99.08265	2.4
105.07038	6.6
107.04962	14.1
107.08585	2.7
109.02895	4.3
109.06527	2.6
110.97572	2.5
111.04423	3.4
112.28957	2.2
116.98648	4.1
118.47137	2.6
119.82036	1.9
120.33801	2.1
123.08052	3.6
127.03932	4.6
128.98631	3.7
131.04924	8.2
136.06181	2.6
137.05998	8.1
141.07019	2.7
143.00235	3.0
145.04967	2.7
146.03609	6.3
152.06184	4.2
153.05479	95.3
153.06732	3.3
153.10323	3.1
155.08591	2.7
161.06006	20.2
165.07065	6.4
167.08551	5.1
177.00706	3.4
177.05524	4.6
177.07013	4.3
181.06467	3.1
187.02641	2.3
191.07047	3.9
193.06575	4.5
194.07285	6.6
195.08014	15.2
199.11325	2.8
203.07623	2.5
205.06621	3.3
208.05266	4.9
211.07629	3.1
212.08252	5.2
222.06818	6.2
223.07486	13.7
224.08386	3.6
227.07507	12.7
227.57623	2.8
237.09236	3.5
238.19041	2.3
239.06934	2.7
240.07829	7.5
249.02893	3.0
249.07022	2.9
251.07089	5.7
255.10162	18.3
265.08627	5.8
266.64755	3.1
268.07306	4.1
269.08078	7.6
269.12729	3.0
283.09647	62.9
284.10367	7.4
285.07779	3.0
287.10089	2.7
293.09708	3.6
315.08380	6.9
315.14484	100.0
320.81900	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41428	1.3
53.03932	1.8
55.01860	2.1
56.96557	4.2
57.03431	5.8
57.07061	2.4
60.95024	1.4
61.02923	5.6
69.03437	14.1
69.40359	1.2
69.46394	7.6
70.06588	4.7
71.05002	11.9
73.02907	6.3
81.03423	2.6
81.07015	1.4
85.02908	30.9
89.06036	100.0
95.06095	2.4
97.02905	16.5
98.96983	2.0
98.97575	14.2
99.04456	5.2
101.00872	1.7
101.42816	1.3
108.08126	5.2
109.02863	2.6
112.07597	1.5
115.03912	2.0
116.07120	1.6
116.98614	6.2
117.05503	2.8
118.96790	1.3
121.02865	3.1
121.06485	3.3
122.03200	2.2
123.06905	2.0
124.03954	2.3
127.03925	5.7
129.93832	1.3
134.09688	1.9
134.75694	1.3
135.06526	33.1
136.06194	17.5
140.83412	1.4
143.01883	5.5
145.04976	4.2
152.07086	2.6
152.09160	4.8
152.10611	1.7
153.04033	1.5
155.01831	1.5
156.03210	1.4
158.99649	7.6
161.02953	3.9
177.00714	5.1
193.03607	1.6
203.03943	2.1
203.91376	1.5
219.01886	6.4
229.92796	2.6
237.02843	1.9
296.11304	1.7
314.09039	2.9
314.12219	5.3
314.27783	1.8
315.10535	8.9
321.08554	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
55.05516	10.1
57.03178	1.2
57.03439	19.8
57.07078	63.2
67.05506	13.5
69.06721	0.9
69.07071	11.5
69.89011	0.9
70.20324	0.8
71.08636	45.1
75.04483	1.2
79.61787	1.0
80.52026	0.8
81.07063	16.1
83.04971	2.4
83.08630	12.0
85.09707	1.8
85.10186	23.1
89.06017	4.0
91.70782	0.8
93.07004	1.4
95.08037	1.7
95.08610	27.6
97.10187	5.7
99.11713	1.5
103.07584	3.2
107.08595	1.6
109.10155	12.4
111.04439	1.4
111.11704	1.6
119.08569	1.1
120.29214	0.9
121.10136	1.5
123.11726	4.7
125.13235	1.0
134.52438	0.8
137.13268	2.2
142.93988	0.9
159.11740	1.0
221.22632	1.0
239.23772	3.9
257.24811	8.0
313.27377	100.0
314.27628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
55.05291	0.8
55.05511	10.5
57.03437	19.6
57.07077	64.3
67.05508	10.8
69.07066	12.6
71.08632	40.8
71.35950	1.4
75.04467	1.1
79.05489	1.9
81.07059	16.4
82.72834	0.9
83.04967	2.8
83.08621	12.6
85.06515	1.3
85.09698	1.6
85.10184	20.3
89.06024	3.2
91.05463	1.4
93.07052	2.3
95.08614	24.8
97.06543	1.4
97.10172	7.7
103.07572	2.1
107.08573	1.0
109.10162	12.7
111.04418	2.4
111.11713	1.7
121.10175	1.0
123.11714	5.2
137.13249	1.5
149.13387	0.9
151.14879	1.3
159.11693	0.9
161.55057	1.1
239.23715	4.0
257.24808	6.0
275.25137	1.0
295.24414	0.9
313.27377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
50.91333	4.7
53.84036	4.9
55.05509	47.1
56.96553	12.8
57.03437	9.5
57.07074	43.3
60.81355	5.3
67.05505	77.5
68.79362	5.4
69.07068	62.3
71.04978	5.3
71.08618	21.7
71.61237	6.1
74.16234	5.3
79.05495	42.3
81.07064	100.0
83.04969	19.5
83.08625	38.4
85.02892	13.9
85.06526	10.8
91.05479	41.2
92.43677	5.5
93.07047	79.1
93.13077	5.9
95.04968	7.5
95.08608	76.4
97.06539	22.9
97.10173	28.7
105.07037	29.8
107.08592	52.3
109.06512	6.3
109.10165	37.9
111.04434	28.6
111.08088	12.7
111.11734	8.5
119.08566	32.4
121.10151	73.0
122.05162	6.3
123.08057	12.8
123.11726	16.3
125.09612	10.4
125.13267	6.6
131.08553	17.5
133.10103	28.2
135.11717	32.9
137.09641	7.5
145.10156	16.3
147.11653	21.9
149.13226	14.5
155.08614	6.1
157.10146	6.5
159.11708	22.0
161.13200	12.9
163.11301	7.1
169.10114	5.6
171.11729	10.1
173.13257	7.3
175.14862	15.7
177.12816	10.1
183.11676	8.7
197.13315	7.5
217.19475	6.1
231.21007	11.9
241.19559	9.0
249.22145	17.2
267.21066	19.3
277.21667	90.3
313.17654	12.9
313.23904	39.1
313.27554	28.4
313.32941	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07515	0.9
55.05513	10.0
57.03180	1.6
57.03438	20.8
57.07076	71.3
67.05219	0.9
67.05505	12.8
69.07073	11.9
70.85213	2.7
71.04972	1.0
71.08630	42.9
75.04430	0.9
79.05487	2.4
81.07059	20.4
83.04970	4.9
83.08621	14.5
85.06532	1.6
85.10181	22.7
89.06019	3.8
91.05463	1.4
93.07041	2.7
95.08607	27.1
97.06541	1.4
97.10165	8.5
103.07603	1.6
105.07009	1.3
106.34023	0.9
107.08607	1.9
109.10161	12.7
111.04431	3.2
111.11723	1.1
117.09129	1.3
119.08549	1.0
121.10176	1.3
121.97456	0.9
123.11723	4.5
135.11650	1.4
136.13210	0.9
137.13266	2.5
145.10094	1.2
147.11725	1.0
164.05238	0.8
202.29591	0.9
221.22697	0.8
239.23656	5.6
257.24774	7.7
313.27380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	30.0
56.96556	28.4
57.03425	16.1
57.07069	41.0
58.99620	6.6
67.05505	58.8
69.07070	49.0
69.86625	38.9
71.04997	9.7
71.08612	22.8
79.05078	7.0
79.05479	35.0
81.07060	78.8
83.04984	19.2
83.08612	29.8
85.06546	10.6
85.10185	13.8
91.05467	25.9
93.07056	57.7
95.04943	14.9
95.08604	100.0
97.06528	14.9
97.10149	15.2
105.07047	48.6
107.08593	55.6
109.06488	17.2
109.10160	39.5
111.08060	11.8
116.98603	9.2
117.07018	12.7
119.08600	52.3
121.06515	6.3
121.10129	44.1
123.08083	14.1
123.11718	18.2
129.06963	12.4
131.08548	29.1
133.10127	41.2
135.11696	22.2
137.09625	9.7
139.11172	9.5
139.38425	6.9
140.85439	6.6
143.08554	21.3
145.10101	31.9
147.11682	23.8
149.13228	14.0
155.08498	7.3
157.10156	23.0
159.11687	21.9
161.13286	16.4
165.12781	10.3
170.10997	7.4
171.11702	18.9
173.13251	28.0
175.11195	7.6
183.11671	9.1
185.13222	10.5
187.14828	9.1
197.13266	21.5
199.14743	8.0
209.13106	6.9
211.14758	8.3
213.16518	10.4
225.16248	6.2
240.14803	6.6
241.19528	8.3
259.20929	7.7
267.21124	27.1
277.21613	66.0
295.16608	6.5
297.13898	9.8
313.17749	21.7
313.21628	42.6
313.23947	8.2
313.27780	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	313.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23963	2.0
53.03934	2.4
55.01863	8.3
55.05256	3.7
55.05510	58.0
57.03437	2.8
57.07072	4.9
59.75609	2.1
60.04518	3.1
67.05502	34.0
69.03424	3.4
69.07067	47.6
71.04974	5.0
71.62061	4.7
79.05489	23.6
81.07050	31.8
83.04986	6.0
83.08617	100.0
85.02894	2.4
85.06541	2.9
91.05477	20.2
93.07039	35.4
95.04950	6.9
95.08596	32.0
97.06519	13.4
97.10162	17.7
98.97572	2.8
105.07013	14.0
107.08572	22.7
109.06525	5.7
109.10143	15.3
111.08080	31.4
111.11685	2.2
114.53197	1.9
117.07064	4.4
119.04982	2.4
119.08574	18.1
121.06544	5.8
121.10150	21.6
123.11683	4.2
125.09629	10.8
129.06998	5.5
129.09105	7.2
131.04944	6.3
131.08566	8.4
133.10115	9.0
135.11684	7.7
137.09621	6.5
139.07544	22.1
139.11166	17.9
141.06981	2.2
143.08594	4.8
145.10126	9.5
147.04419	5.1
147.11703	8.9
149.13206	5.0
151.07425	2.6
151.11171	2.2
153.09177	2.6
156.09258	2.5
157.08603	15.2
157.10094	8.3
157.12209	5.0
159.04456	2.7
159.11699	9.7
161.13260	4.1
165.09109	4.3
169.10130	4.5
171.11705	6.4
173.13277	5.8
175.03897	35.3
175.09656	51.1
175.11174	2.7
175.14801	2.7
183.11662	3.3
185.13324	4.5
187.03891	15.8
189.00685	2.7
189.11235	10.6
197.13255	5.7
199.03903	3.0
199.14822	4.3
211.14862	5.0
214.54578	2.1
217.08635	3.2
225.16412	2.8
226.06238	11.9
227.07028	3.8
229.08678	6.6
241.08609	27.7
243.10164	8.0
243.13913	3.0
259.20599	4.4
267.21368	18.6
277.21667	11.6
295.13242	6.6
295.19373	2.9
295.22778	3.6
313.10779	4.3
313.14291	8.8
313.21677	27.6
313.24960	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	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24144	0.4
56.96556	1.6
57.07077	0.8
65.03933	3.4
69.03431	1.2
69.53351	1.7
69.53757	0.9
83.04984	0.9
85.02913	1.3
93.03371	0.7
95.04967	3.5
97.02896	0.6
98.97578	4.0
100.37580	0.5
107.04955	0.8
109.02876	0.7
110.97556	0.6
111.04424	3.4
116.98613	1.4
121.02868	100.0
121.03874	3.3
128.98613	0.7
129.05560	0.5
133.02873	1.2
135.04391	0.5
137.06067	0.5
139.03883	3.7
143.00177	1.3
151.03935	1.2
154.94150	0.6
156.44812	0.5
158.99631	0.9
165.05501	1.4
167.07030	0.8
170.99742	0.5
177.00700	1.1
189.00623	0.9
197.08127	2.4
208.04961	2.6
217.05571	0.8
219.01735	0.9
240.28305	0.5
249.02904	0.6
267.03738	1.2
289.07535	1.2
295.08310	0.7
313.08957	7.8
313.27448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96555	1.5
57.07077	1.0
65.03934	3.2
68.99797	0.4
69.03426	1.0
69.07076	0.4
69.82260	2.2
71.08615	0.6
83.04979	1.7
85.02910	0.6
93.03399	0.7
95.04962	2.7
97.02876	0.4
98.20759	0.5
98.97588	1.1
110.06076	1.2
111.04456	3.3
111.06395	0.6
121.02871	100.0
124.99157	0.8
129.05434	0.6
139.03902	3.1
143.00169	1.7
161.01173	1.0
231.01709	0.5
249.02899	1.8
266.61942	0.4
267.03909	1.5
270.91498	0.5
272.04431	0.5
281.05835	0.8
285.05014	1.0
313.12567	1.6
313.27600	1.0
327.91373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01869	0.3
56.96556	0.8
57.03439	0.8
61.02936	1.7
62.11290	0.3
69.03428	3.3
70.82150	0.7
71.04990	0.6
73.02919	1.0
81.03416	1.1
85.02905	5.9
87.04476	0.9
89.35979	0.3
91.03960	0.4
97.02887	2.4
98.97585	1.2
99.04467	0.6
107.04927	0.3
109.02907	0.6
109.05142	0.6
110.97607	0.6
111.25586	0.4
114.05815	0.3
115.03912	0.3
115.08636	0.3
116.98625	0.3
119.01913	0.5
127.03936	1.4
128.98601	0.3
133.05081	10.3
145.04977	0.9
150.07758	100.0
151.08153	0.4
152.05681	0.3
158.99644	0.5
219.01746	0.4
237.02823	0.5
266.10126	0.3
292.98483	0.3
307.36749	0.3
312.13034	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	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48272	1.5
54.56297	1.5
55.01863	2.1
56.96548	1.7
57.03430	6.6
57.13879	1.5
61.02934	10.0
63.64557	1.4
66.13881	1.7
69.03431	17.2
69.07072	13.6
70.77367	2.6
70.77712	2.5
71.04987	3.4
73.02908	4.9
81.03423	7.7
81.91595	1.7
84.08109	1.5
85.02908	100.0
87.04465	2.2
87.08117	16.3
91.03955	9.2
97.02892	25.0
98.97562	2.9
99.04441	4.0
102.53680	1.6
109.02879	7.5
110.06030	4.7
111.06372	2.3
117.73588	1.6
127.03915	26.3
133.08620	3.3
145.03108	2.0
145.04962	46.4
145.06110	2.2
149.46101	1.8
150.05461	1.9
163.06021	9.2
190.87280	1.7
206.84688	1.6
219.52975	1.6
233.70662	1.6
268.79242	1.7
279.16705	1.7
294.15051	1.9
312.16577	2.3
326.09659	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	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.3
55.05293	2.9
55.05513	30.1
56.96551	9.0
57.07080	14.9
59.04994	2.9
62.32365	2.7
67.05502	45.7
69.03428	3.0
69.07068	55.7
71.04980	9.1
71.08612	8.1
79.05492	29.2
81.07053	100.0
83.04961	4.4
83.08623	33.3
85.02879	3.7
85.06548	15.4
86.95724	2.3
91.05472	8.4
93.07047	22.9
95.04961	4.0
95.08604	91.2
97.06519	15.4
97.10156	18.5
99.08085	11.5
104.80878	2.5
105.07050	12.1
105.86079	2.6
107.08591	16.1
109.10163	47.2
111.04439	3.5
111.08081	9.0
111.11718	15.4
117.07005	5.6
119.08566	7.7
121.06487	3.2
121.10093	14.1
123.08076	29.1
123.11695	22.8
125.09631	5.1
125.13284	4.6
129.07027	4.1
131.08516	6.5
133.10107	5.8
135.11693	10.4
137.05984	3.2
137.09540	2.9
137.12267	2.5
137.13210	11.9
139.07558	4.5
141.07021	5.3
141.09137	15.9
143.08611	2.6
145.10095	8.8
147.11690	3.2
149.13261	12.3
151.07515	6.6
151.14803	5.8
153.09158	5.2
155.08569	3.3
157.10037	3.9
161.13290	3.3
163.14838	6.7
165.16438	3.3
169.06566	2.8
169.10138	4.8
173.13229	2.8
177.04402	2.4
195.11790	3.6
197.13268	4.2
209.11600	3.8
214.06435	2.9
215.07054	11.7
265.19415	3.0
275.27426	4.9
293.21136	8.2
293.28357	9.2
311.12616	18.2
311.16211	5.1
311.20096	9.7
311.23505	7.0
311.29388	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	311.2943
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
52.80502	2.2
53.03936	5.3
55.01868	4.4
55.05256	4.0
55.05512	55.3
56.49885	2.3
57.03440	4.3
57.06818	2.4
57.07079	34.3
59.04994	4.0
61.92678	2.1
65.03947	2.2
67.05167	3.1
67.05507	56.2
69.03425	4.6
69.07071	96.6
69.39501	16.4
70.07383	2.5
71.04995	3.4
71.08630	18.7
79.05502	25.4
81.07059	100.0
83.04986	6.5
83.08620	47.7
84.08920	2.3
85.02898	4.9
85.06548	22.8
85.10181	10.8
91.05499	13.0
93.07048	36.8
95.04938	3.9
95.08611	95.7
97.06545	16.7
97.10172	32.4
98.98496	3.7
99.08096	17.0
100.11234	3.9
103.05490	3.1
105.07026	10.9
107.04986	2.0
107.08596	29.7
109.06525	3.6
109.10162	59.9
111.04449	2.5
111.08080	8.2
111.11720	14.6
113.07723	2.3
113.09619	3.7
115.05428	2.5
117.07040	2.9
119.08570	7.4
121.06539	3.3
121.10137	21.9
122.10439	2.8
123.08054	3.3
123.11700	27.1
125.09619	5.9
125.13247	4.6
129.07010	4.6
131.08604	6.8
133.10123	7.7
135.11682	24.2
137.05992	11.1
137.13248	11.3
141.06978	4.7
143.08519	2.9
145.01573	2.3
145.10080	4.1
147.11700	5.2
149.13254	21.5
151.14815	5.7
153.12798	3.9
156.09218	2.4
157.10016	2.0
159.08122	2.6
159.11714	5.0
163.14851	7.2
169.10094	2.2
171.11603	3.3
177.09106	2.0
177.16399	5.4
179.17903	2.2
182.15396	2.0
185.13248	2.3
187.07591	3.3
187.14838	3.1
190.07733	2.5
191.18065	3.9
195.11668	2.4
197.13205	3.3
205.19487	3.8
215.10529	3.3
219.08060	6.1
223.20523	3.3
224.82564	2.2
250.06100	2.4
251.10625	4.2
265.19733	2.2
275.16513	2.5
275.20007	5.0
275.27377	7.3
279.10114	5.6
293.28360	24.2
296.10318	2.2
311.12659	14.4
311.29492	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32255	2.5
55.01867	3.2
55.05513	39.9
57.07079	17.7
64.48179	2.3
67.05504	40.1
69.03416	2.8
69.07069	59.6
71.04985	4.6
71.08627	9.3
71.62208	3.0
79.05487	20.7
81.07058	100.0
83.05022	3.8
83.08618	30.5
85.02911	3.8
85.06545	24.2
91.05480	7.7
93.07048	16.0
95.08612	79.0
97.06545	8.0
97.10190	21.8
99.08095	15.3
105.07021	8.2
107.08605	18.4
109.10161	41.2
111.08073	8.7
111.11710	11.7
113.09671	3.2
119.08576	6.3
121.10139	16.8
123.11720	21.7
125.09666	5.0
125.13238	3.1
131.08588	3.6
133.10098	6.3
135.11703	8.9
137.13242	11.1
139.11153	4.1
141.06978	3.1
143.08504	6.4
145.10103	5.4
146.37502	2.9
147.11650	4.4
149.13232	9.4
151.14816	7.2
157.10179	5.2
163.14838	6.7
165.16393	3.1
171.11621	3.2
173.13272	3.6
177.16377	4.2
181.10072	2.8
183.11722	5.0
197.13194	4.1
209.13412	2.8
211.15123	3.3
223.14780	4.3
239.17943	3.7
265.19540	8.1
275.16754	3.4
275.20004	4.9
275.27448	4.9
288.44052	2.6
293.20850	4.3
293.28351	8.3
311.12717	5.2
311.20044	14.8
311.23538	5.3
311.29486	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	311.2579
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03949	2.0
55.01871	3.1
55.05258	3.5
55.05515	56.7
55.08619	1.6
56.96570	12.3
57.03180	1.9
57.03436	22.7
57.07080	29.5
64.58817	1.7
65.65808	1.7
67.05508	25.3
69.07071	68.8
69.93922	2.1
69.94256	8.8
71.05003	3.5
71.08633	18.0
79.05487	16.8
81.07059	37.0
83.04964	4.4
83.08128	3.1
83.08621	55.6
85.06557	2.6
85.10184	7.5
91.05481	5.7
93.07049	21.2
95.08610	34.8
97.06535	17.0
97.10174	40.9
97.99183	3.7
101.78069	1.7
105.07014	5.6
107.08598	17.5
109.10174	17.9
111.04428	3.7
111.08069	6.5
111.11711	11.4
119.08572	5.2
121.10140	22.2
123.11729	9.2
125.05967	2.1
125.09617	4.5
125.13273	3.5
129.17807	1.7
133.10068	4.4
135.04395	4.9
135.11676	15.2
137.13268	2.5
143.08537	2.0
145.10152	2.7
147.11673	3.5
149.13292	7.6
153.05435	3.3
159.11697	2.7
161.09584	3.3
161.13248	4.0
163.14816	2.5
173.13257	2.5
174.70229	1.8
175.14845	4.9
189.16400	2.2
189.48589	1.6
191.10672	2.3
200.02359	1.8
209.11746	21.7
219.21123	1.9
237.11195	14.0
240.16441	3.0
255.12218	3.1
275.23746	8.8
293.24716	25.3
311.25851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.05514	50.5
57.03427	18.8
57.07073	39.4
65.03948	8.0
67.05504	47.0
67.76476	7.0
69.07070	96.9
69.51503	5.4
71.04419	15.3
71.08630	15.2
77.50388	5.9
79.05488	24.5
81.03400	8.3
81.07069	55.0
83.08614	42.6
91.05483	52.1
93.07048	94.3
93.60564	6.6
95.04980	51.3
95.08608	100.0
97.06533	28.0
97.10167	30.0
105.07024	62.1
107.08593	66.1
109.06532	18.2
109.10162	42.8
111.04436	9.4
111.11703	10.7
116.61120	6.1
117.07036	17.3
119.08591	80.5
121.06497	19.3
121.10136	52.0
121.22959	6.3
123.08076	13.3
123.11686	15.1
131.08559	24.5
133.10141	36.9
135.04431	28.5
135.08101	17.5
135.11696	32.6
143.08588	17.7
145.10136	43.3
147.11700	31.4
149.13310	10.2
153.05528	12.3
155.08536	7.1
156.81418	7.2
157.10132	29.7
159.11719	53.7
161.09596	32.4
161.13289	12.0
163.11185	7.0
171.11723	16.7
173.13286	17.6
175.14793	16.9
177.16370	18.6
183.11662	12.9
185.13264	8.0
189.16429	15.0
193.74617	6.2
197.13309	9.5
201.16449	13.8
203.18047	10.2
209.11674	46.7
209.13373	7.5
235.17938	7.2
237.11180	31.6
237.16455	8.3
245.15039	8.4
255.12154	10.0
267.41116	6.8
293.22867	7.1
311.09067	7.6
311.16196	9.1
311.23160	14.9
311.26575	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99608	3.7
53.03939	9.5
54.89746	3.8
55.01868	12.3
55.05515	30.8
56.96561	7.5
57.03432	7.4
57.07049	4.3
62.09661	3.7
62.09973	4.3
67.05505	82.8
69.03421	11.2
69.07069	29.5
71.04995	38.0
71.61443	6.1
79.05493	67.9
81.03419	6.9
81.07062	100.0
83.04995	13.0
83.08623	15.0
85.02898	12.8
85.06551	25.0
87.04472	7.0
91.05481	76.6
93.07050	90.1
95.04967	13.8
95.08605	76.5
97.02880	4.4
97.06533	27.8
98.97593	11.7
99.04439	8.6
99.08092	9.0
105.07040	64.2
107.04963	6.8
107.08589	40.8
109.06503	24.2
109.10165	27.6
111.04430	4.4
111.08079	11.1
117.07010	21.3
119.08581	51.3
121.06480	11.8
121.10152	57.2
122.03669	6.8
123.08076	14.8
123.11716	12.8
125.06021	6.6
125.09657	11.6
129.07040	8.9
129.09145	4.2
131.08551	30.9
133.10129	42.1
135.08022	12.9
135.11700	14.7
137.05977	78.7
137.09628	12.8
137.35457	4.1
138.75166	4.3
139.07550	6.7
139.11177	7.7
141.06984	7.0
142.07785	5.8
143.07127	4.0
143.08549	14.0
144.05705	6.8
145.06529	5.8
145.10158	33.5
147.08049	7.7
147.11671	32.4
149.06027	6.0
149.09615	14.7
149.13213	5.7
151.07541	6.4
153.09190	5.3
153.99776	4.3
157.10133	13.5
159.08043	4.8
159.11690	18.7
161.09698	7.5
161.13261	17.8
163.03877	8.2
163.11186	5.1
169.10136	14.3
171.11717	12.3
172.05194	5.7
173.13237	15.1
175.11171	6.4
177.12813	5.7
183.11728	9.6
187.07547	25.7
187.11115	5.6
190.07808	6.8
191.08617	14.7
193.06577	5.6
193.12309	9.5
197.13214	4.6
203.08325	4.7
207.08162	6.7
207.13794	6.2
208.08760	9.3
211.14937	4.9
219.08046	35.5
220.08614	4.6
221.05978	5.3
233.09581	8.7
235.07632	9.7
236.08362	10.7
239.17885	11.5
247.03625	4.1
247.07532	21.2
249.05476	5.3
251.10609	27.0
253.08597	11.6
257.19107	13.9
261.09140	6.1
264.07788	16.2
265.08633	7.0
275.20120	33.4
279.10123	53.1
280.10638	8.6
282.05347	15.4
283.09732	5.0
293.21039	20.9
293.24231	5.4
296.10376	15.2
311.05453	14.3
311.09134	12.8
311.12759	87.7
315.28479	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.91047	6.0
53.03941	10.8
54.02689	6.3
54.11254	5.8
55.01860	12.3
55.05505	35.2
56.96570	45.0
57.07064	20.6
60.67105	6.2
67.05507	60.8
67.09058	6.3
69.07086	49.4
69.46780	14.2
69.47195	37.4
79.05493	40.0
81.07054	66.0
83.04973	10.4
83.08623	38.5
84.45069	5.7
89.94926	7.8
91.05469	12.9
93.07024	47.9
95.01997	7.1
95.04974	8.3
95.08617	72.2
97.02901	10.6
97.06490	8.5
97.10168	17.2
98.21487	15.7
104.14172	6.9
105.07029	14.5
107.04953	9.3
107.08601	41.2
109.10110	31.4
111.04453	10.4
111.11629	7.3
114.46018	6.4
119.08588	19.7
121.06506	9.6
121.10147	38.6
123.11693	8.7
131.03831	8.1
131.08553	20.7
133.10135	16.0
135.08043	12.5
135.11678	30.8
137.13243	8.0
144.32140	7.7
145.10124	11.5
149.09593	9.9
149.13225	18.7
153.05429	8.8
153.09052	6.9
159.11742	11.7
159.95184	6.4
163.11217	23.2
163.14818	11.9
177.12788	11.5
181.12198	14.8
191.14287	8.0
195.13718	10.9
199.52820	8.1
209.11746	25.4
209.15387	9.4
219.21080	12.9
229.19618	9.6
237.11238	14.8
247.20508	17.8
265.21573	10.5
275.20114	9.0
293.17755	18.5
293.21149	20.0
311.18912	63.1
311.22174	100.0
321.97873	8.2
329.19983	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.96557	0.4
58.61235	0.3
63.31997	0.3
63.37775	0.3
65.03943	0.3
66.68821	0.3
67.04244	0.8
67.05499	1.1
69.03419	0.4
69.07063	0.4
70.06611	1.4
71.24111	0.6
80.05017	0.4
82.06578	3.0
83.04966	0.3
84.08140	0.5
85.06531	0.5
86.33249	0.2
95.04964	0.5
96.04494	0.6
98.97618	0.3
107.04974	0.9
108.08131	0.3
109.06537	1.0
110.06046	100.0
111.04426	0.3
111.06400	0.5
112.07608	2.6
119.77157	0.3
121.06513	0.5
122.06026	0.9
123.04436	0.3
124.07587	1.2
135.04431	1.2
136.07581	1.1
137.05980	0.3
138.09183	0.3
140.07068	27.3
142.08646	3.0
142.09619	0.4
152.07101	0.4
154.08609	3.2
156.06554	1.2
172.09673	1.9
216.10052	0.3
230.11790	1.4
233.12883	0.8
248.12785	1.5
249.17072	0.5
251.13976	0.8
257.12793	0.5
258.11307	1.2
275.13907	4.4
276.12277	2.4
280.40717	0.3
293.14948	13.6
311.16003	6.6
311.23096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.55318	0.3
59.18774	0.2
59.91951	0.2
61.02935	0.3
67.04245	0.5
67.05490	0.8
69.09092	0.2
70.18526	0.9
72.88468	0.2
80.05007	0.4
82.06580	3.0
84.08152	0.6
91.81262	0.3
109.06519	0.7
110.06041	100.0
111.06367	0.4
112.07596	3.0
113.10297	0.2
122.06050	0.5
124.07594	0.5
131.04889	0.3
135.04408	0.6
136.07587	0.9
137.05937	0.3
140.07062	28.1
140.13000	0.2
142.08658	2.7
152.07030	0.3
154.08635	2.1
156.06569	1.1
156.10262	0.4
162.09160	0.3
163.12311	0.2
172.09680	2.9
208.09706	0.4
230.11740	0.6
248.12782	0.8
251.13962	0.8
257.03418	0.3
258.11279	0.6
268.12756	0.3
275.13895	3.1
276.09698	0.3
276.12259	1.5
293.14963	10.1
311.16010	13.5
323.63953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01860	0.6
56.96558	0.9
62.47694	0.4
67.05496	1.1
69.03433	1.1
69.07085	0.6
69.73596	0.9
69.73994	1.9
73.02899	0.8
79.05492	0.8
81.03429	0.7
81.07072	0.9
84.08170	0.5
85.02905	1.1
91.05472	2.8
93.07064	2.5
93.85532	0.4
94.06567	1.2
95.05001	2.3
95.08624	0.9
96.04504	1.7
96.08128	0.9
97.02917	0.7
98.06062	1.0
98.08140	0.5
98.97597	0.8
103.05471	0.5
106.06537	0.9
107.04970	1.0
108.04499	0.4
108.08141	2.1
110.06049	9.8
111.06790	0.5
112.07605	1.6
122.06035	1.8
124.07598	16.2
126.05517	1.6
134.06015	0.7
136.07584	100.0
137.05965	0.8
137.07959	0.5
138.05536	1.0
138.09131	0.9
139.06319	0.5
140.07063	11.8
142.08655	12.7
150.49799	0.5
152.07082	5.0
154.08635	78.6
156.06604	0.9
156.10185	1.2
158.08165	1.3
162.70735	0.4
163.03909	0.7
170.08112	3.3
172.95229	0.8
197.08307	0.6
212.10730	1.2
230.11781	0.8
240.10228	0.7
247.14505	0.6
257.12955	2.4
258.11258	0.8
275.13885	6.0
293.14935	8.2
311.07379	1.8
311.12280	0.9
311.16016	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	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
61.02917	0.6
64.20287	0.3
65.03928	0.4
67.04248	0.7
67.05505	1.1
70.88483	0.4
70.88815	0.4
74.09434	0.3
78.04129	0.3
82.06577	3.2
84.08148	0.4
85.06531	0.3
94.06570	0.3
95.04975	0.5
95.59426	0.3
96.04466	0.3
108.08118	0.6
109.06520	0.6
110.06042	100.0
111.06389	0.4
112.07613	2.8
117.07008	0.3
122.06019	0.7
124.07587	0.7
135.04414	0.5
137.05989	0.4
140.07062	27.7
140.42455	0.3
142.08627	3.4
152.07037	0.3
154.08621	2.6
156.06573	1.3
156.10164	0.4
172.09676	2.9
191.07030	0.5
203.06841	0.3
231.89993	0.3
248.12909	0.4
251.13898	0.4
257.12811	0.7
258.11273	0.9
275.13873	3.3
276.12317	0.7
293.14935	11.1
311.16003	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	310.2011
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03920	1.0
54.30436	0.8
55.01851	0.9
55.05509	10.7
57.07072	1.1
65.03944	1.0
67.05514	5.7
67.67657	0.9
69.03377	1.1
69.07056	3.3
70.85848	1.8
70.86185	1.1
71.05003	1.2
71.08629	1.3
72.08156	100.0
79.05495	7.3
81.07053	11.6
82.07389	1.3
83.04995	4.9
83.08614	1.4
85.02887	2.3
86.03173	0.8
91.05489	12.5
93.07047	15.4
95.04954	2.8
95.08605	3.3
96.08958	1.9
97.06528	1.3
105.06371	1.5
105.07033	17.8
107.08600	5.3
109.06524	12.0
109.10139	3.1
111.08074	2.9
114.09138	5.5
118.08656	39.6
119.08577	4.7
121.10130	1.8
123.08027	2.0
123.11726	1.6
129.06993	1.5
131.08585	4.2
133.10135	23.4
141.74561	0.8
142.08661	1.9
147.11685	16.3
149.09639	1.3
151.07587	4.2
151.11182	53.3
157.10081	1.2
165.12733	3.0
175.11188	5.1
193.12222	5.2
196.66753	0.8
209.23633	0.9
210.58710	0.8
241.53796	0.9
246.18425	7.0
264.19586	28.5
265.19702	0.9
284.64651	0.8
292.19098	7.1
292.27310	1.1
310.20148	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	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82950	3.7
56.96563	11.1
57.03439	8.1
58.98616	3.7
59.02473	4.4
67.05495	7.4
69.03425	17.1
69.07058	7.3
69.63448	3.3
69.63770	28.2
70.06592	5.6
70.57971	4.7
71.04969	7.7
73.02908	6.8
81.03421	9.2
83.04964	4.7
85.02895	30.9
85.06546	100.0
91.05496	6.6
92.18681	4.5
97.02909	11.3
98.21559	7.0
98.97559	23.0
99.04388	4.2
107.04919	20.3
110.06062	8.6
111.04474	5.4
113.06014	98.5
116.98629	6.5
120.08129	6.3
127.03897	13.5
128.98579	10.6
131.07042	70.3
136.07510	3.8
137.05978	4.2
140.07037	4.5
145.05002	5.5
149.05971	5.0
150.05487	7.5
158.99591	7.1
159.94833	3.4
163.03908	4.1
177.00729	4.5
177.05490	6.3
178.05841	5.6
189.00743	5.0
202.84915	4.0
209.19843	4.8
219.01822	6.0
237.02824	6.6
245.04922	4.3
310.09149	8.0
310.12711	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	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99055	1.6
52.19903	1.4
56.96561	2.3
57.07079	4.1
61.02918	3.4
62.38569	1.5
67.05512	10.0
69.03430	7.8
69.64656	9.2
70.06614	1.9
71.04997	39.0
71.57751	1.7
73.02891	2.5
80.04812	1.7
81.03428	2.9
84.20040	1.5
85.02912	24.5
85.06555	3.1
95.04987	10.4
97.02885	5.7
98.97568	3.7
105.07116	1.9
107.04997	1.5
109.02962	2.0
110.06093	1.8
113.06007	100.0
116.98618	2.2
127.03928	6.3
131.06134	3.1
131.07053	41.7
136.07550	1.8
137.05966	1.8
145.04973	5.2
163.03903	2.7
163.06059	1.8
178.05891	2.1
310.09988	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.62832	1.1
53.03947	2.1
55.01884	1.8
55.05515	21.1
55.94437	0.9
57.03441	6.6
57.07079	8.6
59.04988	2.7
64.93694	1.2
67.05504	18.9
69.03413	3.8
69.07071	100.0
69.89359	2.3
69.89767	3.6
70.70840	1.1
71.04998	8.0
71.08632	3.5
73.02921	1.4
73.06574	1.3
75.04468	2.8
79.05498	9.5
81.07064	44.0
83.04990	3.9
83.08627	12.4
85.02417	1.9
85.02904	26.0
85.06536	5.7
85.10176	2.6
91.05486	5.4
93.07054	19.2
95.04970	2.0
95.08604	42.5
97.02866	1.7
97.06547	7.2
97.10177	7.1
99.08097	3.4
105.07039	8.6
107.08597	15.3
109.06516	2.7
109.10156	20.9
111.08096	10.5
111.11726	23.7
113.09631	1.2
119.08580	5.0
119.23452	1.1
121.10146	11.6
123.11713	18.3
125.09663	1.8
125.13277	1.4
129.05473	4.4
129.12798	2.4
133.10112	4.5
133.86073	1.1
135.11670	7.4
137.13269	4.1
139.11186	15.5
147.06512	3.1
147.11699	5.3
149.13240	10.3
151.14841	1.1
153.12749	7.9
157.12263	1.7
161.13295	3.3
163.14824	4.4
167.14301	2.1
189.16513	1.3
193.91612	1.3
203.17993	1.7
217.19542	1.5
239.23611	1.0
273.25760	2.5
291.19672	2.9
291.26672	6.5
309.20319	1.6
309.27893	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.16953	1.4
53.03935	2.8
53.24222	1.2
55.01856	3.8
55.05510	46.3
56.37344	1.3
57.03420	4.9
57.07072	18.8
59.04992	2.7
67.05499	45.2
69.03427	12.4
69.07063	82.7
71.04994	7.6
71.08628	5.9
71.21304	2.7
73.06537	3.3
79.05067	1.3
79.05491	18.7
80.91410	1.1
81.07053	100.0
83.04970	4.0
83.08611	55.1
85.02883	5.0
85.06536	17.3
85.10148	1.4
91.05475	12.6
93.07034	42.7
95.04957	1.9
95.08601	74.6
97.06516	7.2
97.10161	16.9
99.08095	6.5
105.06357	1.8
105.07011	14.4
107.08589	41.4
107.44693	1.2
109.06501	1.4
109.10151	69.4
111.08062	16.6
111.11692	4.9
119.08557	9.4
121.10144	24.3
123.11702	36.9
125.09643	10.0
127.11143	2.3
133.10115	9.0
135.11691	16.6
137.05989	1.4
137.13226	7.2
139.11169	3.3
139.14806	1.9
147.11652	6.6
149.13246	22.9
151.11160	1.3
151.14784	3.5
153.12727	3.6
159.11716	2.4
161.13235	5.9
163.14795	9.5
165.16389	4.4
167.14281	5.3
171.11519	1.6
171.13765	7.5
175.14835	2.9
177.16328	7.0
181.15868	1.5
189.16353	2.1
191.17912	4.5
195.17354	1.4
199.16853	1.9
203.17900	4.6
209.28044	1.3
211.16917	4.2
211.68639	1.3
215.70081	1.5
217.19415	2.4
221.19017	2.7
235.20654	2.7
239.20096	1.5
253.21605	1.5
273.25726	5.8
277.08685	1.7
291.26843	20.8
309.11115	2.5
309.27850	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	2.4
55.01862	2.4
55.05260	1.7
55.05512	27.3
56.65084	1.2
57.03421	2.7
57.07072	10.7
58.62820	1.2
61.84068	1.2
62.41099	1.1
65.03922	2.0
67.05160	2.5
67.05502	37.6
69.03420	1.9
69.07068	51.1
69.52473	9.8
69.99765	1.5
71.04974	4.1
73.06537	3.0
79.05490	20.9
81.07059	100.0
83.04960	2.6
83.08620	22.3
85.02924	2.9
85.06544	21.0
91.05483	10.6
93.07042	37.7
95.04976	2.4
95.08609	82.2
97.06554	6.2
97.10182	10.3
99.08069	6.8
100.11249	2.5
105.07032	10.5
107.08596	37.8
109.06474	2.2
109.10155	46.5
111.08075	9.2
111.11730	5.8
113.09621	2.7
117.58343	1.3
119.08572	6.8
121.10146	21.3
123.08054	1.9
123.11705	29.5
125.09618	3.5
125.13276	3.1
125.68439	1.3
131.08566	1.4
133.10123	7.6
135.11687	18.0
137.09647	1.4
137.13245	10.5
137.29376	1.3
139.11157	4.5
145.10085	2.0
147.11696	6.3
149.13261	27.8
151.14861	3.1
153.12718	4.8
157.49295	1.2
161.13272	6.2
163.14818	13.7
167.14299	4.7
171.13779	1.5
175.14816	2.9
177.16377	5.6
182.15424	3.4
185.15363	3.1
189.16405	3.2
191.17926	4.1
195.17455	1.7
203.17867	3.1
208.04546	1.4
217.19527	2.8
221.09528	2.0
234.06668	1.6
235.20634	2.0
254.61192	1.3
265.25128	1.7
273.25760	3.5
277.08548	2.0
291.19510	1.5
291.26877	16.9
309.11093	4.8
309.27856	36.4
333.01614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03945	1.7
55.01840	2.5
55.05509	21.5
57.03438	2.1
57.07071	8.7
59.04981	5.3
65.03944	1.6
65.85561	1.3
67.05166	2.3
67.05502	37.1
69.03411	2.2
69.07069	41.2
69.17098	1.4
69.61421	9.6
71.04981	2.7
71.08616	2.5
79.05488	15.8
81.07056	100.0
83.08616	19.9
85.02866	3.1
85.06051	2.8
85.06541	36.5
91.05479	7.1
93.07040	30.1
95.04926	1.9
95.08604	80.5
97.06506	3.4
97.10165	12.5
98.67829	1.3
99.08088	23.5
105.07034	11.7
107.08593	40.4
109.06504	1.5
109.10157	55.2
111.08085	11.7
111.11738	8.0
113.09646	7.2
119.08569	11.3
121.10144	27.7
121.76559	1.7
123.08089	2.2
123.11706	37.1
125.09637	7.7
129.12856	1.9
130.97981	1.6
133.10086	4.4
135.11668	16.3
137.13261	14.9
139.11150	5.6
141.12709	1.7
145.10019	1.6
147.11678	6.0
149.13252	32.8
151.14793	5.0
153.12709	4.2
161.13239	4.4
163.03830	1.4
163.14845	20.8
165.16365	2.3
167.14322	3.4
172.54872	1.7
173.53798	1.5
175.14781	3.0
177.16428	11.7
181.15964	2.2
189.16354	3.5
191.17926	4.1
195.17497	2.3
201.13081	1.7
203.17923	3.2
217.19508	4.8
225.88834	1.6
235.20552	2.0
247.24207	3.5
265.25345	4.2
273.25684	10.8
291.26819	20.6
309.11124	2.1
309.27899	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03920	3.6
55.01862	4.5
55.05264	2.3
55.05510	32.5
57.03418	5.9
57.07077	23.8
59.04994	2.0
60.52087	1.9
67.05505	46.3
68.82545	1.6
69.03419	3.5
69.07069	41.3
71.04985	11.3
71.08632	18.0
71.36091	3.3
72.03995	1.8
75.04460	4.7
78.77192	1.7
79.05490	37.5
81.03412	4.6
81.07056	100.0
83.04971	17.8
83.08625	27.7
85.02909	29.9
85.06521	2.5
85.10162	7.4
91.05473	21.6
93.07044	49.0
95.04977	12.5
95.08607	85.2
97.02876	2.0
97.06522	8.1
97.10172	20.6
99.08083	2.7
105.07030	31.0
107.04931	4.4
107.08603	35.4
109.06527	14.6
109.10152	43.6
111.04449	3.8
111.08057	7.0
111.11739	10.1
111.28920	1.8
113.06003	2.5
117.07008	6.0
119.08589	22.4
121.10145	22.6
123.08064	10.7
123.11715	17.9
125.09605	7.6
127.07521	4.3
129.05461	3.9
129.06999	2.2
131.08575	4.6
133.06516	2.1
133.10141	21.0
135.08051	2.5
135.11703	17.0
137.09631	7.0
137.13243	8.3
139.11171	2.5
143.08519	2.8
145.10088	3.8
147.06520	4.4
147.07930	1.8
147.11685	20.5
149.13264	8.3
151.11166	6.3
151.14801	5.1
155.10609	1.9
155.49573	2.1
157.10172	2.6
161.13264	13.6
163.11285	2.6
163.14828	6.0
165.09065	2.4
165.12746	6.2
165.16434	3.3
169.12199	2.1
175.11276	2.1
175.14812	8.0
177.16412	4.1
179.14236	4.7
179.17892	2.8
189.11205	3.3
189.16295	5.4
203.18040	3.9
203.78200	2.1
217.19513	6.1
239.93890	1.9
273.18445	5.7
273.25742	24.5
291.19589	10.6
291.26810	18.0
309.16586	4.0
309.20654	3.6
309.27972	19.9
327.39536	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03953	16.8
55.01867	4.9
55.05519	27.0
56.96549	7.5
57.03428	8.2
57.07063	7.4
65.03930	3.2
67.05166	3.8
67.05508	63.6
69.03426	3.9
69.07069	46.0
71.04980	5.2
71.08593	4.9
79.05496	36.4
81.03416	63.2
81.07056	67.6
83.04966	11.9
83.08634	13.3
85.06556	4.8
85.10159	3.9
91.05476	25.3
93.07044	45.6
95.04979	36.3
95.08607	37.7
97.06508	5.4
97.10152	15.7
99.08092	3.9
104.72432	2.4
105.07043	28.6
107.08594	32.3
109.06503	10.6
109.10170	24.2
111.08093	3.2
114.82191	2.5
116.58772	2.4
117.06985	3.0
119.08566	16.4
121.10157	17.1
123.04449	4.3
123.08064	3.5
123.11703	12.4
125.09605	13.8
128.92336	2.6
129.07001	3.0
131.08505	6.2
133.10139	20.7
135.08049	7.2
135.11679	13.9
137.09619	2.9
142.99966	2.6
143.05319	2.5
143.08633	3.5
145.10133	4.8
147.11659	16.8
149.13246	9.8
151.09981	2.9
151.11186	47.0
153.09088	5.9
157.10138	5.4
159.11682	3.2
161.13223	14.6
163.14935	4.6
165.12743	11.9
167.21941	2.6
171.11659	9.1
173.13228	4.7
175.11208	5.6
175.14822	5.2
177.12639	4.3
177.16460	3.0
179.14293	6.5
185.13290	3.9
203.12770	8.6
207.13872	4.4
217.19522	4.4
231.21130	15.1
241.19560	6.5
249.22064	5.4
259.20596	8.8
277.21628	100.0
286.68683	3.0
309.13132	3.2
309.20715	3.0
309.25125	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	6.1
53.97378	1.8
55.01866	3.0
55.05513	20.1
56.96555	3.1
57.03438	10.9
57.07061	4.1
59.04996	2.1
63.49907	1.5
65.03928	3.1
67.05508	62.4
69.07071	16.8
69.58718	7.5
69.59135	3.3
71.04990	10.1
71.08614	2.2
75.99411	1.6
79.05495	24.5
79.61520	1.5
81.03413	6.5
81.07060	95.9
83.04980	5.3
83.08626	16.9
85.06533	8.8
91.05484	17.1
93.07049	26.6
95.04980	16.3
95.08611	100.0
97.06522	3.2
97.10206	7.6
99.08095	3.5
99.77884	1.4
105.07043	14.1
107.04959	3.3
107.08600	21.2
109.06542	4.0
109.09441	3.1
109.10159	44.3
111.04452	3.9
111.08112	1.4
111.11718	2.5
117.07029	3.0
119.08581	11.3
121.10171	16.9
123.08038	3.0
123.11718	16.1
131.08566	5.0
133.10123	10.9
135.11693	13.9
137.09624	3.0
137.13281	3.8
139.07513	1.6
139.11053	2.0
142.38876	1.3
145.10162	3.8
147.11664	7.9
149.13257	13.7
151.11194	2.4
153.12814	1.8
157.10034	1.7
159.11685	1.8
161.13281	3.5
163.14827	9.6
171.13754	1.7
173.13266	2.9
175.14830	3.4
177.16428	2.1
185.15337	3.0
189.16406	4.9
191.17888	1.5
209.15358	1.7
233.13484	1.6
245.22701	4.3
263.23737	14.5
273.22162	4.9
281.24762	51.4
291.23120	17.7
309.24258	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	16.8
55.01867	4.9
55.05519	27.0
56.96549	7.5
57.03428	8.2
57.07063	7.4
65.03930	3.2
67.05166	3.8
67.05508	63.6
69.03426	3.9
69.07069	46.0
71.04980	5.2
71.08593	4.9
79.05496	36.4
81.03416	63.2
81.07056	67.6
83.04966	11.9
83.08634	13.3
85.06556	4.8
85.10159	3.9
91.05476	25.3
93.07044	45.6
95.04979	36.3
95.08607	37.7
97.06508	5.4
97.10152	15.7
99.08092	3.9
104.72432	2.4
105.07043	28.6
107.08594	32.3
109.06503	10.6
109.10170	24.2
111.08093	3.2
114.82191	2.5
116.58772	2.4
117.06985	3.0
119.08566	16.4
121.10157	17.1
123.04449	4.3
123.08064	3.5
123.11703	12.4
125.09605	13.8
128.92336	2.6
129.07001	3.0
131.08505	6.2
133.10139	20.7
135.08049	7.2
135.11679	13.9
137.09619	2.9
142.99966	2.6
143.05319	2.5
143.08633	3.5
145.10133	4.8
147.11659	16.8
149.13246	9.8
151.09981	2.9
151.11186	47.0
153.09088	5.9
157.10138	5.4
159.11682	3.2
161.13223	14.6
163.14935	4.6
165.12743	11.9
167.21941	2.6
171.11659	9.1
173.13228	4.7
175.11208	5.6
175.14822	5.2
177.12639	4.3
177.16460	3.0
179.14293	6.5
185.13290	3.9
203.12770	8.6
207.13872	4.4
217.19522	4.4
231.21130	15.1
241.19560	6.5
249.22064	5.4
259.20596	8.8
277.21628	100.0
286.68683	3.0
309.13132	3.2
309.20715	3.0
309.25125	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.33839	4.4
53.03936	18.3
55.01858	16.9
55.05515	46.9
56.96562	30.9
57.07071	12.8
67.05508	75.8
69.03430	8.5
69.07072	54.4
70.89555	14.1
71.05006	6.6
79.05502	55.2
81.03406	23.4
81.07060	100.0
83.04980	14.8
83.08627	28.9
85.02911	8.8
85.06534	7.7
85.10198	5.9
91.05488	58.3
93.07046	53.2
95.04967	15.6
95.08611	81.1
97.02895	22.5
97.06539	9.8
97.10163	16.1
105.07022	64.0
107.04984	11.7
107.08591	50.8
109.02121	6.3
109.02872	88.0
109.06544	10.2
109.09494	6.6
109.10164	46.8
110.29384	4.7
117.07039	8.5
119.08593	71.1
121.06492	13.0
121.10161	37.4
123.04408	11.6
123.08088	14.8
123.11706	18.1
125.06020	7.1
129.06961	6.6
130.93326	8.7
131.08571	18.3
133.06473	22.0
133.10146	57.0
135.08034	12.5
135.11664	18.3
137.05951	7.1
137.09613	9.2
137.13258	6.3
143.08549	14.0
144.03171	4.6
145.10130	18.4
147.08066	15.6
147.11699	32.2
149.09634	6.6
149.13239	6.9
151.07584	10.2
151.11160	8.9
157.10081	12.1
159.11722	8.3
161.09550	12.2
161.13261	16.7
163.14787	6.5
165.09123	23.5
171.11659	9.4
172.94392	6.1
173.13124	5.9
175.11212	5.3
175.14781	7.2
177.16451	8.9
179.10645	8.3
179.17868	8.3
185.13110	7.4
189.12709	8.3
190.95306	5.6
193.12183	10.3
195.11505	5.9
203.33501	4.9
217.19597	30.7
227.17964	7.6
232.97966	5.1
238.47481	6.7
245.18938	16.8
248.14836	6.4
254.94691	8.7
259.64874	6.4
263.20074	20.0
273.18423	14.9
274.17099	7.5
280.64484	5.6
286.66525	5.2
291.19543	49.0
291.22595	9.3
309.20584	82.3
309.24301	6.9
309.25635	9.2
327.18463	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.83698	2.0
55.01868	5.4
55.05505	10.8
56.96555	4.9
57.03179	2.7
57.03441	34.9
57.07066	3.8
60.04815	2.1
67.05507	34.3
69.03424	5.1
69.07067	12.8
71.02175	2.1
71.04988	5.7
71.08641	3.2
79.05489	20.3
81.07056	30.5
83.04986	5.8
83.08617	6.9
85.02902	9.3
85.06548	35.8
87.78293	2.4
91.05477	17.1
93.07047	20.0
95.04968	38.9
95.08595	27.4
97.06550	3.3
97.10162	4.3
98.97566	3.0
102.96867	2.8
105.07043	13.7
107.04947	4.4
107.08585	19.7
109.06518	39.8
109.10159	13.2
113.06010	100.0
117.07003	7.7
119.08582	12.0
121.10152	11.3
123.08089	5.7
123.11710	3.0
129.05499	3.5
129.06989	5.2
131.08556	9.1
133.10158	6.4
134.99525	2.7
135.08067	29.7
135.11676	5.6
137.09549	3.3
143.08540	5.3
145.10129	9.5
147.11688	4.0
149.09625	7.5
149.13251	4.2
151.11165	2.7
157.10158	6.4
159.11658	3.7
161.09566	7.3
161.13263	3.1
163.11208	4.0
171.11705	3.9
173.13251	3.9
183.11832	2.9
185.13307	4.2
187.14938	3.0
199.14870	5.4
217.15887	13.9
263.20264	3.0
273.18561	16.7
291.19516	47.7
309.20657	8.2
309.25421	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62521	1.0
53.03942	1.7
55.01869	4.1
55.05509	10.1
56.96559	2.0
57.03428	6.5
57.07065	3.4
59.04996	1.2
60.55690	0.9
65.03941	1.3
67.05505	14.5
69.03420	3.2
69.06719	1.2
69.07072	13.3
71.04998	8.3
71.08628	1.6
71.61592	1.2
73.02901	1.9
75.04479	3.6
79.05498	12.3
81.03401	2.1
81.07063	28.9
83.04973	3.4
83.08624	4.4
85.02416	1.9
85.02906	30.5
85.06525	5.2
91.05480	6.7
93.07055	12.6
95.04958	5.0
95.08608	18.8
96.02698	0.9
97.02900	2.6
97.06542	5.3
97.10164	3.1
98.97575	2.8
99.08082	3.9
105.07040	9.1
107.04941	2.5
107.08591	12.5
109.02901	1.4
109.06517	4.3
109.10160	10.0
111.04465	1.2
111.08079	12.3
111.11703	1.0
113.06004	2.0
116.98582	1.5
117.07001	2.5
119.08585	8.0
121.06491	1.7
121.10143	8.5
123.08043	3.1
123.11694	6.8
125.09612	3.4
127.07475	1.1
129.05476	6.8
129.07013	1.9
131.08557	4.7
133.10094	5.9
135.04414	1.4
135.08017	1.3
135.11668	5.8
137.05911	1.1
137.09579	2.2
137.13206	1.1
139.04001	1.6
139.11174	2.1
142.07771	1.2
145.10123	4.7
147.06535	3.1
147.07912	1.3
147.11714	3.4
149.13324	5.1
151.11139	1.1
153.09128	1.3
155.01085	1.0
157.10158	2.5
158.99660	1.2
159.11697	1.9
161.09601	1.6
161.13330	1.3
163.03952	3.3
163.14857	2.2
165.12708	1.1
171.11676	1.8
175.11075	1.4
175.14830	1.3
183.11681	1.7
185.13287	1.3
189.12666	1.1
199.14844	1.8
232.00064	1.0
233.08148	2.8
235.09689	2.8
235.17111	1.2
249.18730	1.3
254.99718	1.2
273.18518	4.0
277.10693	2.2
291.19644	7.0
291.26657	2.6
300.18570	1.1
309.16711	35.2
309.20364	100.0
309.27863	3.9
310.20578	1.1
327.20212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.05507	9.6
57.03443	9.6
57.07079	1.9
67.05489	5.0
67.53471	1.4
69.03448	3.3
69.07066	10.5
69.55157	11.9
71.01338	1.6
71.04993	26.3
72.83503	1.8
73.02914	5.5
75.04498	11.3
79.05497	4.0
81.03423	2.4
81.07051	15.2
83.04992	7.6
83.08607	6.2
85.02905	100.0
85.06535	2.1
87.04453	2.5
88.32526	1.7
91.05496	2.7
93.07043	6.5
93.20129	1.7
95.04970	2.4
95.08606	13.0
97.02908	5.0
99.04454	2.2
101.06090	1.7
105.07037	2.8
105.29143	1.8
107.08585	6.0
109.10155	4.8
111.04428	4.0
111.08110	1.5
111.11708	2.0
119.08595	1.7
121.10191	2.7
123.11671	2.9
127.03912	4.0
129.05464	22.6
131.08542	1.7
133.10135	3.2
135.11723	3.1
142.92207	1.5
143.08592	1.8
147.06544	9.9
147.11684	2.0
149.13225	1.9
153.12605	1.8
163.66655	1.6
291.19894	2.4
309.20493	2.8
309.28128	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
54.54348	0.9
55.01865	2.0
55.05292	0.9
55.05511	10.7
55.73624	0.8
57.03437	11.4
57.07061	3.7
59.04985	2.6
59.19732	0.8
61.02924	1.9
61.03209	0.9
67.05161	1.1
67.05505	13.0
69.03435	6.3
69.06770	1.1
69.07072	12.8
70.36949	2.8
71.01344	2.0
71.04998	25.2
73.02917	4.4
75.04485	12.2
79.05498	8.5
81.03392	2.6
81.06567	1.6
81.07059	36.5
83.04973	7.0
83.08625	6.3
85.02909	100.0
85.06548	12.6
85.32394	1.0
87.04456	2.5
91.05474	3.8
93.07048	12.4
95.04973	2.2
95.08613	27.6
95.09224	1.7
97.02894	4.5
97.06507	2.9
97.10153	4.0
98.21394	1.3
99.04448	2.6
99.08083	7.7
103.03986	1.5
105.07029	5.1
106.81924	0.9
107.08604	12.7
109.02864	1.9
109.06497	1.4
109.10161	20.3
111.04435	3.6
111.08093	4.6
111.11700	2.5
113.05971	1.1
113.09632	1.6
117.07005	1.3
119.08569	3.5
120.36446	0.8
120.98575	0.9
121.10162	8.4
123.08079	1.0
123.11709	9.2
125.09567	2.3
125.13249	1.2
127.03882	3.4
129.05487	22.5
133.10109	3.2
135.11691	6.3
137.13255	4.4
139.11198	2.2
141.07010	0.9
141.24734	1.0
145.04926	1.5
145.10152	0.9
147.04460	2.0
147.06517	13.2
147.11700	2.0
149.13258	9.0
151.14810	1.1
159.39160	0.9
161.13254	1.8
163.04028	1.1
163.05974	0.9
163.14827	5.2
166.15887	1.7
167.14380	1.1
177.16380	2.7
189.16380	1.1
191.17886	1.0
209.19022	1.2
217.19456	1.4
235.20662	1.5
247.24036	1.0
249.09210	1.0
255.08580	1.1
273.18555	1.5
273.25854	3.2
277.08530	2.0
278.09604	1.0
291.26801	6.3
309.07782	1.3
309.11292	3.6
309.16992	1.9
309.21634	1.8
309.28009	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24849	0.6
53.03950	1.0
53.46286	0.5
55.01863	1.1
55.05507	4.0
57.03439	12.2
59.05001	1.2
61.02915	2.7
61.72097	0.6
64.02470	0.6
64.89334	0.5
67.05509	1.1
69.03413	3.2
69.07072	0.8
69.35597	5.0
71.01353	2.2
71.04996	31.0
73.02912	5.7
75.04485	12.8
79.05475	1.5
81.03429	1.7
81.07056	1.0
83.04979	7.2
85.02908	100.0
87.04463	2.3
87.97565	0.6
91.05483	7.2
93.07071	0.8
95.04980	1.3
95.08611	1.2
97.02877	4.8
98.97600	1.9
99.04445	1.0
101.06036	1.0
102.96837	0.5
103.03939	1.1
105.07051	0.7
107.04935	0.8
107.26906	0.7
109.02881	2.0
111.04444	3.1
116.98566	1.0
119.08585	0.6
123.04462	0.7
124.07555	0.6
127.03918	3.7
129.05484	22.8
131.04999	0.7
134.31836	0.6
145.04979	1.3
147.04410	1.4
147.06529	10.8
161.05927	0.6
163.03879	0.6
171.06500	1.3
175.07565	0.9
177.05524	1.4
177.89781	0.6
181.05104	0.7
194.19183	0.8
219.01791	0.6
237.02809	0.9
245.08238	0.7
252.12767	0.7
277.08469	0.8
291.13214	1.0
309.07669	0.8
309.25287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01875	4.0
55.05257	2.6
55.05510	34.7
57.03438	14.5
57.07074	15.9
59.04986	4.8
61.02918	3.5
65.03898	2.1
67.05167	2.1
67.05507	34.5
69.03417	6.8
69.07068	61.5
71.01362	3.5
71.04992	28.9
71.08631	8.8
71.19733	3.1
73.02899	5.1
73.06535	2.1
75.04473	10.2
79.05491	22.2
81.03412	4.8
81.06567	3.3
81.07058	90.8
83.04980	13.6
83.08629	22.2
85.02904	100.0
85.06541	17.6
87.04471	2.6
91.05474	12.5
93.07037	27.8
95.04960	5.2
95.08607	76.0
97.02895	4.5
97.06525	8.1
97.10170	11.3
99.04414	3.6
99.08053	8.1
101.05988	2.9
105.07027	17.8
105.07680	2.5
107.04923	2.3
107.08586	26.7
109.02840	2.2
109.06512	5.6
109.09447	2.9
109.10154	43.4
111.04434	4.9
111.08067	7.5
111.11726	11.6
112.60860	1.8
117.07027	2.4
119.08582	14.3
121.10148	18.4
123.08073	6.9
123.11704	23.1
125.09629	5.8
127.03917	3.3
129.05486	21.6
131.08549	3.9
133.10126	13.9
135.11694	14.8
137.09619	6.2
137.13298	9.9
139.11143	6.6
145.10062	2.5
147.04424	2.6
147.06514	13.2
147.11679	12.1
149.13228	14.4
151.11227	3.2
151.14789	4.0
153.12723	3.2
157.10072	4.6
159.11604	2.0
161.13232	6.2
163.03926	1.8
163.14842	8.1
165.12755	5.5
165.16382	2.6
171.11664	3.2
173.13199	2.1
175.14786	4.8
177.16380	4.9
179.14377	2.2
187.14903	2.2
189.16394	4.3
191.17995	3.3
203.17918	4.3
217.19553	4.7
221.09605	2.4
221.18825	2.0
234.06691	2.2
235.20409	1.8
249.09210	3.2
263.72601	1.9
273.18622	2.2
273.25851	10.5
277.08566	7.3
281.11630	3.8
286.48505	1.8
291.19693	4.5
291.23752	2.7
291.26785	13.5
294.08810	1.8
309.08026	1.8
309.11087	10.1
309.17029	2.6
309.20374	10.6
309.28180	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01871	1.2
55.05505	2.8
56.96568	2.9
57.03436	12.2
59.05002	1.2
61.02916	1.6
67.05518	0.8
69.03421	3.6
69.07066	1.5
71.01345	1.9
71.04993	27.6
71.12488	0.9
73.02924	4.6
75.04482	12.4
76.72176	0.5
77.20451	0.6
78.86073	0.5
79.05486	0.7
81.03423	1.7
81.07047	0.8
83.04987	5.3
84.96037	1.3
85.02905	100.0
86.03223	0.6
87.04466	2.0
91.05486	4.7
93.07058	1.2
95.04977	1.1
97.02889	5.0
97.06536	0.6
97.68026	0.5
97.96851	1.0
98.97585	7.8
99.04465	1.9
101.05991	1.3
103.03963	0.5
109.02905	2.0
110.97556	3.7
111.04449	3.3
112.99103	0.6
116.98605	2.4
127.03908	4.3
128.98590	2.1
129.05481	22.9
131.00110	0.6
137.02022	0.6
140.98592	0.5
143.00214	0.9
145.05002	1.6
146.99748	0.9
147.04451	1.5
147.06525	13.5
152.98584	0.8
158.99704	0.7
163.03986	0.6
171.06473	1.1
177.00697	1.4
177.05463	1.4
189.00769	0.7
207.03375	1.2
219.01762	3.6
237.02808	3.9
255.08751	0.9
309.06961	0.6
309.08237	0.6
309.17300	0.6
327.07510	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.40292	1.2
55.01858	1.4
55.05506	4.1
56.96566	2.3
57.03437	11.3
61.02939	1.5
65.77980	1.3
67.05508	4.4
68.46637	1.2
69.03425	5.1
69.07052	2.6
71.01355	2.1
71.04653	1.1
71.04996	28.2
71.61753	1.8
73.02917	3.8
75.04472	12.2
81.03396	2.4
81.07048	3.9
83.04977	5.8
85.02908	100.0
85.06542	1.8
87.04472	1.7
91.05484	2.7
93.07051	4.3
93.36813	1.4
95.04958	2.4
95.08623	4.4
97.02880	5.2
98.97557	3.5
99.04430	2.3
99.26737	1.4
101.06019	1.8
103.05462	3.4
105.07030	8.6
107.08598	1.7
109.10146	2.1
111.04467	2.5
117.07033	1.9
119.08609	3.5
121.01635	1.6
121.10094	2.1
127.03927	3.5
128.98610	1.5
129.05489	25.6
131.04948	6.9
133.10182	1.6
137.05878	1.4
147.04404	2.5
147.06529	13.3
163.07585	1.9
167.07030	1.8
197.06697	1.5
206.07286	3.2
219.01826	2.2
223.04971	1.8
223.07611	1.6
234.06798	3.5
237.02835	3.3
249.09076	6.1
273.18478	1.8
277.08603	16.4
292.75339	1.4
294.08823	2.6
309.11081	11.4
309.21201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
52.58198	1.3
55.01870	4.3
56.96556	1.4
57.03428	3.6
60.66575	1.2
61.02926	3.7
61.17468	1.3
65.03920	1.6
69.03415	3.2
70.72736	4.3
71.04971	1.5
73.02917	6.4
76.01280	1.7
79.05474	2.7
80.05436	1.5
83.60974	1.4
85.02905	9.5
89.03921	2.3
91.05499	4.7
93.03413	3.0
95.04938	1.6
97.02885	1.9
98.97571	1.8
101.02335	1.9
103.03941	4.2
103.05482	3.3
107.04955	1.7
110.06022	3.4
111.04418	2.1
115.05451	6.5
117.03378	2.8
117.07011	2.4
119.04987	2.6
122.06040	2.2
125.06023	2.5
129.05493	2.0
129.06999	5.2
131.04887	8.9
136.07605	4.2
137.05956	3.9
141.07005	4.3
143.04930	11.1
145.02876	2.7
145.06462	3.7
146.03629	2.0
147.04398	11.2
148.05209	2.0
148.65959	1.4
149.05986	24.3
149.07100	2.3
151.03946	2.7
152.07060	3.3
153.05437	11.0
154.08685	2.7
157.06526	5.2
158.09589	1.5
159.04427	3.9
160.05194	9.4
161.05974	14.8
162.03123	5.7
163.03929	2.2
163.07550	3.9
169.06473	2.7
171.04396	10.9
171.34616	1.3
173.05965	2.5
175.03978	9.4
175.07513	21.0
175.08784	1.9
175.12335	1.8
176.04723	4.6
177.05466	100.0
178.06117	1.7
179.07077	1.8
180.26265	1.5
184.05199	2.8
185.06026	5.3
186.09216	3.1
187.07587	3.5
188.04800	2.0
188.09499	4.5
189.05420	7.9
189.09103	1.9
191.07048	15.3
193.04924	3.4
195.06514	7.2
201.05472	5.4
203.07001	24.1
203.11839	6.2
205.04996	3.0
205.08604	3.1
207.06525	42.4
207.08328	3.3
209.10760	6.5
212.04744	2.6
213.05435	4.4
214.06204	1.8
215.08189	5.3
216.08774	1.8
217.04927	1.6
217.08612	4.7
219.06543	9.4
220.05360	1.8
221.06087	3.2
221.08177	5.8
227.06851	11.0
228.10175	4.3
229.09807	3.2
231.06514	14.3
231.11247	9.8
233.08095	2.5
235.07748	1.6
237.10193	3.5
240.08963	1.8
245.08124	14.0
246.11229	3.3
247.06006	4.1
249.07611	9.9
249.12292	15.4
255.11308	5.1
256.09903	2.7
260.11569	12.2
261.07623	2.3
263.09189	5.2
273.07687	11.7
273.12338	17.5
274.10727	3.5
281.08221	1.7
291.08737	8.9
291.13474	21.2
294.05249	1.7
309.09702	20.6
309.14459	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	309.0967
Annotation	Allamandicin
Peak:m/z	Relative Intensity
54.77066	1.0
55.01863	3.3
57.03421	2.8
61.02927	1.3
69.03410	2.3
71.12117	1.7
73.02914	5.5
83.04951	1.2
85.02888	4.0
89.03915	2.6
91.05479	2.6
93.07024	1.9
98.97577	1.1
101.02370	1.9
103.03937	5.7
103.05463	4.2
105.07025	1.4
106.04132	1.0
110.06006	1.6
115.05456	7.4
117.03348	3.1
117.07004	1.6
117.40892	0.9
119.04929	2.6
119.08585	1.6
124.07580	1.0
128.06181	1.2
129.05402	0.9
129.07016	3.1
131.04938	7.5
133.06555	1.2
134.03653	2.1
135.04453	1.1
136.07578	2.6
137.05969	4.4
138.05461	1.1
141.06982	1.6
143.04930	9.4
144.05655	1.6
145.02840	3.2
145.06445	2.5
146.03596	2.4
147.04385	5.6
148.05090	1.4
149.04762	1.3
149.05978	25.2
151.03920	2.8
152.07024	2.4
153.05431	1.6
154.08607	3.2
157.06474	4.5
159.04419	2.9
160.05266	4.7
161.06000	10.2
162.03123	3.3
163.03928	2.0
163.07550	2.7
169.06494	2.8
171.04402	4.9
173.02336	1.0
175.03909	9.7
175.07536	19.5
176.04688	3.5
177.05466	100.0
179.07022	1.8
185.05962	3.6
187.07539	2.7
188.04657	2.5
189.05450	6.0
189.08990	1.4
191.07040	12.0
193.04938	3.8
195.06514	2.0
199.03923	2.2
199.07494	1.7
201.05449	3.7
201.09120	2.3
203.07043	19.0
205.04930	3.3
205.08588	2.8
207.06520	42.4
208.02869	3.2
212.04591	1.7
213.05475	3.6
214.06313	1.7
215.07014	1.8
217.05150	1.5
217.08574	4.0
217.13356	1.2
219.06523	9.7
221.08002	2.8
227.07028	7.3
229.08601	2.8
231.06505	12.0
233.08038	1.8
241.04761	1.0
243.06479	1.3
245.05740	1.5
245.08060	11.3
245.12839	2.6
247.06062	3.4
249.07584	7.5
255.06511	1.4
263.09155	4.3
273.07523	8.9
273.12231	1.4
281.08115	1.7
291.08768	4.6
291.13275	2.6
309.09671	17.1
309.14389	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	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05508	0.8
56.96552	1.2
57.07068	0.8
58.02948	0.4
65.03927	0.3
66.04721	0.3
67.05498	1.3
69.03392	0.3
69.07064	1.1
69.83080	1.2
69.83490	0.4
71.08614	0.7
72.61571	0.2
74.73229	0.2
79.05492	1.1
81.07053	2.9
83.08602	0.4
88.07619	0.4
91.05469	0.8
93.07027	0.7
94.04186	2.2
95.08580	1.7
99.08071	0.3
105.07035	0.4
107.04941	0.5
107.08579	0.8
109.06525	0.8
109.10163	0.6
114.09200	0.3
119.08582	0.4
121.10136	0.3
122.03648	7.0
131.08522	0.3
133.10101	0.4
135.11696	0.4
137.05972	100.0
137.13210	0.8
138.06317	0.4
139.59363	0.3
143.08704	0.3
151.07381	0.4
155.14275	0.5
157.10062	0.3
165.12805	0.7
172.16992	1.0
184.16957	1.9
285.09952	0.4
291.23203	2.4
308.22516	0.8
308.25928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
50.00842	1.5
52.12403	1.4
53.03939	3.1
55.01866	1.7
55.05297	1.9
55.05510	21.3
57.03430	3.9
57.07079	7.4
59.05024	1.5
64.56082	1.5
65.03915	1.8
67.05506	40.2
67.48005	1.7
69.03423	4.4
69.07066	48.9
69.38048	12.0
70.15173	1.5
71.04980	3.6
71.08621	5.2
79.05492	25.3
81.03409	3.1
81.07056	100.0
83.04974	2.5
83.08620	18.2
85.02898	4.0
85.06549	15.5
89.85748	1.5
91.05478	17.4
93.07043	46.4
95.04964	7.7
95.08606	95.6
97.06508	6.6
97.10175	8.2
98.21499	3.0
99.08092	9.6
103.03967	3.1
105.07023	28.5
107.08590	40.6
109.02879	2.2
109.06501	4.4
109.10155	58.9
111.08084	6.6
111.11708	6.6
113.09667	3.7
117.07007	2.0
119.08581	25.1
121.06482	1.6
121.09307	2.1
121.10149	31.3
123.08072	5.7
123.11694	22.9
125.09602	5.3
125.13240	2.2
127.03888	2.5
128.84300	1.4
131.08568	5.8
133.10130	19.1
134.60304	1.4
134.61320	1.5
135.08069	1.9
135.10687	1.7
135.11694	29.1
137.09625	7.8
137.13272	8.3
139.11176	6.6
145.10088	11.9
147.11690	20.5
149.13255	24.1
151.11200	2.7
151.14787	4.2
153.12735	2.3
155.10693	1.8
159.11705	10.9
159.54581	1.6
161.13245	13.8
161.39246	1.3
163.11122	3.0
163.14824	16.3
165.12747	5.8
167.40482	1.5
173.13252	6.2
175.14809	9.3
177.12820	3.3
177.16364	7.5
179.14320	4.4
187.14833	5.9
189.16399	8.7
191.17978	3.0
201.16379	4.3
203.09970	1.7
203.17943	2.2
207.17378	2.3
215.17975	4.9
217.19568	2.2
229.19592	3.2
231.21198	1.9
233.18982	2.1
245.22684	2.3
271.24179	18.1
271.26544	1.7
273.92908	1.6
289.25220	34.9
307.26318	55.1
307.67377	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03923	2.7
55.05511	19.6
55.24945	1.7
57.03424	3.2
57.07068	9.0
58.15611	1.7
59.04997	2.1
67.05505	31.0
68.88514	1.6
69.03412	4.2
69.06718	2.7
69.07065	35.5
69.55392	1.6
71.04981	5.7
71.08617	2.9
71.19588	4.2
79.05115	2.1
79.05492	23.9
81.03448	1.8
81.07055	100.0
83.04961	4.0
83.08598	14.1
85.06548	11.4
91.05465	13.8
93.06461	2.5
93.07043	43.1
95.04956	7.0
95.08605	88.9
97.06512	5.2
97.10159	9.5
98.58620	1.7
99.08074	10.1
105.04512	1.8
105.07034	29.0
105.07692	1.7
107.08593	36.9
109.06505	2.8
109.09447	3.0
109.10155	46.9
111.08054	5.6
111.11700	6.3
113.09622	2.5
117.06992	3.1
119.08577	23.5
121.10149	31.3
123.08044	6.5
123.11709	23.1
125.09622	5.9
127.11154	2.4
131.08545	6.6
133.10106	13.0
135.08037	2.4
135.11681	21.0
137.09615	8.1
137.13252	7.2
139.11160	3.7
143.08463	1.9
145.10101	10.9
147.11690	20.7
149.13248	26.9
151.11168	2.7
151.14806	4.8
153.12714	1.9
159.11612	8.8
161.13249	15.8
163.11169	2.4
163.14796	14.2
165.12726	3.6
165.16383	2.2
173.13239	6.7
175.14903	9.9
177.12740	2.3
177.16338	5.0
179.14215	3.7
187.14795	2.9
189.16389	9.6
191.17952	2.4
193.15923	2.2
201.16376	3.1
203.18141	2.3
205.19498	1.8
215.17902	5.2
231.21184	2.2
245.22635	3.1
271.24115	15.0
289.25266	34.8
307.26291	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	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.32186	0.7
53.03928	1.8
54.14106	0.8
55.01862	2.0
55.05265	1.3
55.05512	23.0
55.21556	0.8
57.03424	2.5
57.06824	0.8
57.07075	9.8
58.35632	0.9
59.04975	0.9
65.03926	1.7
66.40991	0.8
67.05505	38.8
69.03419	2.1
69.07069	46.1
69.95496	4.2
70.06573	2.9
71.04603	1.0
71.04984	5.6
71.06907	1.0
71.08613	3.2
77.03917	1.1
78.67745	0.9
79.05494	23.3
81.03401	2.2
81.07056	100.0
83.04972	2.5
83.08621	16.9
85.06543	15.5
85.10171	1.2
89.20052	0.8
91.04947	1.3
91.05474	15.0
93.07046	44.3
95.04967	7.2
95.08606	95.6
97.06539	6.6
97.10159	10.6
98.20769	1.0
99.08098	9.6
101.06007	1.0
101.09654	1.0
105.07034	28.1
107.07859	1.4
107.08594	39.3
109.06538	4.1
109.10155	47.8
111.08086	7.3
111.11715	7.6
113.09637	3.3
114.43473	0.8
117.07003	3.7
119.07780	1.5
119.08582	22.8
120.61356	0.9
121.06493	1.5
121.10145	32.7
123.08070	5.3
123.11710	23.6
125.09631	4.6
125.13196	1.0
127.11190	2.3
131.08582	6.0
133.10118	18.4
135.08038	4.5
135.11681	26.3
137.09615	7.1
137.13251	7.9
139.11208	6.1
145.10124	8.9
147.11690	17.6
149.09627	1.7
149.13246	22.2
151.11186	5.0
151.14799	3.1
153.12749	1.2
155.10683	1.2
159.11691	9.6
161.13263	17.3
163.11125	3.3
163.14825	14.8
165.12737	7.7
165.16418	2.1
167.14238	1.2
171.11838	1.2
173.13251	5.5
175.14841	11.5
177.12791	2.6
177.16397	6.4
179.14294	4.4
179.17921	2.7
187.14796	4.2
189.16385	9.4
191.14383	1.4
191.17947	3.1
193.15868	2.0
200.20058	1.2
201.16371	5.0
201.20375	1.4
201.70337	0.9
203.17914	2.4
205.19495	1.4
207.17432	2.3
215.17905	8.2
217.19519	1.5
219.17462	1.7
229.19426	1.5
231.21115	2.8
233.19026	2.3
244.22647	1.0
245.22920	6.5
247.24203	1.1
263.23642	1.0
271.24228	19.6
289.25259	35.5
307.26389	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.01873	22.2
55.05253	4.5
55.05515	76.8
57.03433	4.5
57.07087	6.8
59.04998	3.9
64.24502	2.9
67.05510	58.5
69.03429	5.6
69.07070	32.3
71.04983	5.8
71.61636	2.6
71.62054	4.0
79.05495	100.0
81.03426	11.6
81.07063	75.0
83.04998	20.9
83.08617	29.4
85.06571	3.4
91.05479	44.6
93.07052	65.8
95.04949	16.3
95.08611	40.8
97.06546	30.1
97.10170	50.1
105.07038	41.4
107.04962	33.7
107.08597	82.1
109.06535	11.2
109.10155	26.6
111.04427	4.3
111.08053	9.1
111.16360	3.1
117.07053	15.1
119.08588	29.6
121.06458	6.0
121.10160	21.3
123.08109	5.6
123.11736	8.2
125.09647	62.9
129.07007	6.0
131.08559	20.7
133.10127	20.8
135.08026	21.8
135.11687	12.8
137.09619	5.2
140.70398	2.8
143.08571	3.7
145.06485	2.8
145.10121	15.0
147.11664	15.8
149.09641	66.1
149.13269	6.1
151.11218	6.4
153.09152	15.7
157.12265	6.0
159.11699	13.4
161.13248	4.5
163.11192	5.3
163.14842	5.4
167.10753	3.6
169.10295	2.9
169.12175	4.6
171.11633	4.4
173.13271	7.8
177.12793	7.2
179.14406	5.1
187.11395	4.5
187.13255	4.4
193.12148	3.2
203.12785	51.1
203.14507	4.5
209.15402	5.4
212.86877	3.0
219.17462	3.4
229.19484	7.9
247.20650	6.0
257.19025	12.6
275.20087	68.5
285.43063	3.3
289.21817	4.6
307.19238	3.7
307.22726	13.2
307.26297	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	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.71928	1.1
51.22716	1.1
53.03942	3.3
55.01861	4.6
55.05511	18.6
56.96551	2.2
57.03426	2.5
57.07074	6.3
58.01469	1.1
59.04997	1.7
61.04700	1.1
61.05030	1.1
61.52146	1.2
61.85460	1.3
65.03928	1.3
67.05505	36.6
69.03419	5.6
69.07066	24.4
71.04989	5.8
71.05392	1.7
71.05808	1.1
71.08617	1.6
73.02903	1.7
79.05492	24.4
81.03402	4.0
81.07056	100.0
83.04982	3.5
83.08620	9.4
85.02893	3.2
85.06538	24.5
90.94808	1.8
91.05476	16.1
93.07043	39.3
95.04944	4.7
95.08607	76.2
97.02902	1.5
97.06525	7.8
97.10162	6.0
98.97583	3.4
99.04446	2.8
99.08089	20.2
105.07024	27.8
107.05009	1.3
107.07867	1.9
107.08594	33.0
109.02850	1.7
109.06517	5.5
109.09451	2.6
109.10157	37.8
111.07347	2.0
111.08077	25.4
111.11715	2.0
114.86782	1.1
117.07016	5.0
119.07774	1.9
119.08584	24.6
121.06547	1.3
121.10149	28.2
122.06027	1.6
123.08070	3.6
123.11707	29.7
124.07571	2.0
125.09614	8.9
125.13289	1.9
127.03896	1.8
131.08571	10.2
132.95839	4.9
133.10129	14.9
135.08055	1.8
135.11699	18.9
137.09596	2.7
137.13242	4.8
139.11200	9.4
143.08543	1.4
145.02821	1.7
145.10106	13.4
147.11696	15.1
149.13264	15.7
150.05434	1.4
150.96883	2.4
151.07578	1.8
151.11139	2.1
153.12758	1.6
155.08635	1.4
157.10168	1.4
159.11696	11.3
161.13280	11.8
163.03918	1.9
163.11119	1.7
163.14824	10.9
165.12766	4.0
167.14417	1.2
169.10152	1.2
173.01337	1.3
173.13263	7.6
175.11227	1.7
175.14836	10.5
177.16359	3.4
186.96864	1.6
187.07425	1.5
187.14778	4.7
189.16380	8.3
191.14333	1.6
191.17961	2.4
193.15895	1.8
195.17426	2.6
198.96898	9.2
201.16393	3.8
203.17928	2.7
205.15938	1.4
207.17514	1.7
215.17981	3.9
217.19545	2.3
219.07996	1.2
219.17577	1.8
225.16273	1.2
229.19510	1.8
233.09395	1.3
237.02335	1.3
242.59531	1.2
245.22696	1.8
246.99046	3.0
263.23700	4.5
264.07730	1.8
269.87308	1.4
271.10770	5.6
271.24286	6.3
275.04565	1.5
275.09268	1.7
277.25272	2.0
289.11713	1.9
289.18243	2.5
289.25250	25.9
292.36996	1.3
307.06158	1.3
307.09482	2.6
307.15646	2.0
307.19238	3.4
307.26291	37.1
308.01749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03936	7.2
55.01878	10.6
55.05515	26.0
56.96550	3.8
57.03432	4.1
57.07047	5.6
64.87050	2.2
67.05168	2.2
67.05505	43.4
69.03444	11.6
69.06773	1.9
69.07069	22.9
70.73682	4.5
71.04994	8.8
77.93005	1.5
77.99627	1.9
79.01846	2.2
79.05054	2.7
79.05492	35.8
81.03395	6.4
81.07056	61.6
82.31090	1.6
82.82964	1.7
82.90900	1.8
83.04979	24.5
83.08612	18.4
85.02885	6.0
85.06528	6.1
86.24752	1.6
91.05471	20.1
93.07049	37.3
95.04976	21.0
95.08610	66.1
97.02272	2.7
97.02892	49.0
97.06519	8.2
97.10184	9.4
99.04434	6.5
99.08107	2.8
105.07043	20.6
107.04973	21.8
107.08595	26.9
109.02859	12.9
109.06516	7.8
109.10160	26.3
110.26819	1.7
111.04446	45.3
111.08061	5.2
111.11695	2.5
117.07013	9.4
119.08579	17.2
121.06487	6.0
121.10146	22.7
123.08047	6.5
123.11712	8.9
125.06004	5.0
125.09591	3.4
131.08569	13.4
133.06453	4.1
133.10138	15.0
135.08061	8.1
135.11703	15.9
137.05957	6.1
137.09616	2.9
137.13243	3.6
139.07536	3.0
145.06526	2.4
145.10129	10.9
147.08113	2.0
147.11688	12.2
149.09624	5.1
149.13249	7.6
151.11189	2.8
153.09097	3.6
157.10124	3.3
159.11723	5.3
161.13168	9.0
163.14879	2.5
167.10654	3.0
169.09950	1.9
171.11618	3.4
173.09492	2.0
173.13228	3.8
175.14818	2.3
183.11627	2.7
187.14793	2.4
189.16425	3.0
197.13351	2.3
201.16431	2.9
203.17854	2.1
243.21152	2.2
247.20645	5.4
253.19391	2.9
261.22192	13.2
265.21631	4.1
271.20636	3.2
275.20065	4.3
279.23239	29.6
289.21667	17.9
307.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.71247	1.0
51.99868	1.1
52.64489	1.1
53.03942	2.8
55.01871	3.2
55.05516	14.4
57.03431	1.6
57.07076	2.5
59.04984	3.1
65.03927	1.4
67.05505	24.2
69.03406	1.8
69.07072	12.7
69.80999	5.9
71.04988	8.1
73.06488	1.5
79.05496	21.9
81.03413	1.4
81.07053	27.8
83.04986	2.1
83.08612	7.4
85.02853	1.5
85.06528	3.6
91.05479	35.3
93.07043	32.4
95.04971	5.8
95.08599	21.4
96.28194	1.2
96.80635	1.0
97.06530	9.8
97.10156	3.9
98.21428	2.2
99.08083	2.7
105.04530	1.3
105.07024	36.6
107.04952	2.4
107.08592	20.8
108.05760	1.6
109.06509	18.8
109.10169	12.5
110.07277	1.4
111.08056	3.7
117.07027	8.9
119.07786	1.6
119.08583	30.1
119.09428	1.6
121.02850	3.9
121.06510	5.7
121.07224	1.2
121.10126	12.8
123.08067	9.9
123.11688	3.8
125.09627	3.3
127.07545	1.1
129.06987	3.1
131.08551	15.0
133.10132	21.9
135.08057	8.4
135.11690	8.2
137.09608	10.9
139.11185	1.5
143.08546	2.3
145.10115	9.8
147.11684	15.5
149.09586	7.5
149.13232	2.5
151.11163	18.0
153.09088	1.4
155.08527	2.0
157.10124	2.1
159.11690	8.5
161.09637	1.2
161.13278	5.4
163.11201	9.9
165.12784	9.1
169.10112	2.6
171.11639	4.5
173.13264	6.0
175.14870	1.3
177.12733	4.4
179.14313	3.8
183.11673	1.4
185.13246	1.1
187.14818	2.0
189.12674	1.4
189.16499	1.3
191.14323	2.0
197.13184	3.5
211.14799	1.6
213.05502	1.5
215.14369	1.9
215.17906	1.4
229.19521	6.6
239.17944	9.2
247.20552	5.4
257.19034	12.0
261.18622	1.3
275.20059	48.9
285.07605	1.2
289.17929	2.1
289.21494	1.5
289.24948	1.7
307.09503	1.9
307.15314	2.6
307.18921	13.4
307.22635	100.0
307.26019	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.48715	3.8
53.03940	5.3
55.01862	10.4
55.05511	56.5
56.96553	16.1
57.03443	29.3
59.07189	3.8
63.96124	4.9
67.05504	53.6
69.03416	12.1
69.07072	34.6
69.93221	6.7
69.93639	15.2
71.04980	4.8
79.05491	55.0
81.03409	8.5
81.07064	53.6
83.04973	7.1
83.08609	32.0
85.06557	7.6
91.05482	38.1
93.07053	34.7
95.04967	14.8
95.08603	43.0
95.21140	3.9
97.06528	17.0
97.10175	40.7
98.97550	4.4
105.07033	25.5
107.04953	23.8
107.08611	34.5
109.06526	13.6
109.10178	26.7
111.08073	9.5
117.07025	18.1
117.46297	3.9
119.08581	31.7
121.02884	13.6
121.06477	9.1
121.10152	24.1
122.81699	4.0
123.08092	8.3
123.11721	10.4
125.09650	22.8
129.06964	8.5
131.08560	12.9
133.10123	16.2
135.08064	20.7
135.11699	12.8
137.09654	7.4
139.11165	6.9
143.08553	5.4
145.06470	6.4
145.10115	12.0
147.11639	10.0
149.13235	7.6
151.11220	5.3
153.09109	6.0
157.10162	7.6
159.08061	35.7
159.11717	7.6
161.09575	7.4
161.13345	6.6
163.03976	5.0
163.07558	6.0
169.10101	4.5
171.11668	8.0
173.09650	5.2
173.13226	9.7
177.09111	7.6
185.13211	4.2
187.14819	7.8
189.11206	14.3
191.14259	4.8
199.14792	4.4
215.14270	7.7
233.15410	15.6
253.15848	8.3
261.18625	6.6
271.17029	20.3
271.20734	3.6
289.18024	68.8
289.21375	9.9
289.25119	6.2
307.18723	100.0
307.22598	5.4
307.23865	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03954	4.5
55.01865	7.6
55.05510	20.2
56.83794	2.2
56.96564	12.4
57.03420	4.2
57.07050	4.2
59.04995	5.8
65.03959	3.3
66.00840	2.0
67.05510	27.1
68.45108	2.3
69.03407	2.9
69.07064	14.5
69.85458	2.2
71.04979	3.2
71.08659	2.2
71.61742	2.7
79.05494	26.0
81.03406	5.5
81.07059	30.2
83.04973	9.7
83.08607	14.4
83.47262	2.1
91.05476	20.6
93.07054	25.7
95.04987	11.4
95.08617	25.1
97.02918	4.1
97.06524	10.7
97.10165	14.1
104.96458	2.1
105.07047	18.7
106.37898	2.2
107.04961	11.4
107.08585	23.2
109.02851	12.3
109.06516	6.4
109.10153	13.7
111.04453	8.1
111.08094	5.4
117.07016	7.9
119.08572	16.3
121.02849	5.1
121.06508	5.2
121.10174	15.6
123.08103	6.7
123.11721	5.7
125.06044	2.2
125.09652	10.3
128.06204	2.3
129.07027	5.2
131.04971	2.1
131.08556	13.8
133.06467	2.9
133.10144	7.9
135.08067	5.8
135.11696	5.3
137.05988	12.8
137.09616	5.5
137.13322	2.7
138.06314	10.0
141.06989	2.4
143.08546	5.5
145.10100	11.7
147.08078	4.3
147.11716	4.5
149.09644	2.8
153.09084	2.3
155.08528	2.9
157.10158	3.9
159.07985	3.0
159.11705	7.2
161.09627	3.4
161.13193	3.5
169.10094	2.9
171.03371	3.6
171.11731	4.9
173.13364	4.9
183.11693	3.4
185.13318	3.6
187.11078	2.4
187.14891	4.8
189.04315	5.7
189.11230	4.6
211.06433	2.8
211.14931	2.9
215.14348	5.1
225.16521	4.6
233.15399	2.6
243.17517	4.7
253.15805	2.8
261.03046	3.0
261.18469	5.5
271.16913	8.7
289.18030	56.2
289.21518	6.3
307.18869	100.0
307.22589	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	307.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
53.23959	0.4
55.05500	1.2
67.05489	1.4
69.07063	1.0
77.03934	0.7
79.05488	1.5
81.03433	0.6
81.07058	3.7
91.05482	1.5
93.07053	2.5
95.04962	0.6
95.07315	0.6
95.08616	1.4
96.08121	1.0
97.02856	0.5
98.97582	1.5
103.75661	0.5
105.07042	1.0
107.08597	1.0
108.08116	1.0
109.10143	1.1
110.97653	0.6
111.05783	0.5
115.38669	0.4
122.06010	2.9
123.06800	1.5
124.07587	7.1
126.05466	0.5
126.09158	4.6
132.95778	0.6
133.10127	1.3
136.07582	58.1
137.09633	1.1
138.09143	55.6
140.07083	1.0
152.07072	16.3
155.27861	0.5
164.07071	100.0
165.07501	0.6
170.08122	5.2
182.08136	21.9
191.14293	0.6
193.25253	0.6
198.97006	0.9
219.01816	0.9
229.93311	0.7
237.02693	0.8
286.10553	1.2
286.61102	0.5
289.15451	4.2
307.16443	0.8
307.26270	0.7
318.05106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48245	0.5
56.05038	2.7
56.96571	0.7
58.06597	4.0
61.62191	0.4
65.33071	0.4
65.57636	0.4
69.03428	0.5
70.84096	0.6
70.84422	1.0
78.17478	0.5
84.04504	21.4
84.08141	100.0
85.02895	0.5
86.06059	6.4
86.09701	6.1
88.03987	0.9
98.09721	0.5
107.08606	0.6
118.06895	0.5
122.17881	0.5
123.04442	1.0
130.08658	1.6
132.95862	1.1
135.04410	0.7
140.03531	0.5
141.13861	6.4
146.83298	0.5
150.96779	0.6
161.20123	0.5
163.03911	3.2
165.44426	0.5
167.34726	0.5
169.13365	10.3
169.14690	0.8
176.31387	0.5
176.98380	0.5
187.07574	0.6
198.11269	2.6
200.98550	0.6
206.07005	0.5
215.13902	38.9
234.99089	0.6
243.17043	49.5
261.93451	0.5
262.11096	2.9
290.38336	0.5
307.01169	0.9
307.04929	0.6
307.16846	15.2
307.20224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06990	0.5
56.05036	9.5
57.46503	0.4
58.06596	11.3
59.30147	0.5
68.05020	3.5
70.06590	23.9
71.60587	1.1
71.91096	0.5
72.08154	1.5
82.06589	3.7
84.08142	4.7
85.02882	1.2
86.06066	41.1
88.03970	2.5
91.50900	0.4
96.08130	2.5
98.06079	0.6
98.09695	1.7
100.07620	9.5
101.00867	1.0
101.01485	0.5
102.05523	1.4
112.07645	0.6
112.09966	1.2
113.00994	0.5
114.05524	77.1
116.07092	2.8
119.01897	1.2
121.60625	0.5
123.96371	0.5
128.07072	42.5
130.08600	0.6
133.03531	0.5
142.08640	3.1
143.01868	0.9
143.08208	0.5
145.03467	0.7
148.09735	0.5
155.01904	0.7
157.03442	1.1
161.02963	0.8
169.09758	0.8
171.11240	1.4
173.09250	0.9
174.07629	0.9
185.12833	0.6
186.07660	2.4
187.10670	0.5
197.09212	1.0
197.36182	0.6
202.89014	1.4
203.04024	0.9
203.10194	1.1
213.12294	0.9
215.10263	23.3
221.05048	0.8
229.11824	1.7
237.99234	0.4
245.04927	0.5
247.06624	1.1
256.11359	0.6
257.11319	2.2
265.07672	1.7
275.12360	41.4
289.13956	0.5
307.07809	100.0
307.14993	5.9
308.08063	1.1
318.88620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88264	46.8
57.57426	49.1
62.88158	49.0
86.06045	72.2
114.05524	100.0
164.14444	63.1
166.57172	54.4
275.12473	77.8
307.04303	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	6.7
58.06579	12.4
61.22840	5.4
66.11945	5.4
70.06569	19.9
71.60582	9.5
86.06068	54.6
100.07589	10.3
114.05533	100.0
120.57919	5.9
128.07088	41.1
134.42549	5.6
215.10254	31.9
221.08652	7.0
242.82770	5.8
275.12363	57.6
305.37808	6.2
307.04211	51.1
320.92206	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	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.33516	0.3
55.01872	1.7
55.05507	0.5
56.96572	0.4
60.39205	0.3
67.05503	1.0
69.03426	0.6
69.07052	0.7
71.04980	0.7
71.52934	0.8
73.02899	0.4
76.30231	0.3
79.05483	1.4
81.03417	0.6
81.07036	0.9
85.02917	0.8
91.05447	1.1
93.07034	1.4
94.06551	0.7
95.04958	0.8
95.08592	1.0
97.02876	0.5
98.06062	0.6
98.97604	1.1
98.98485	0.3
103.03934	0.7
105.07005	0.8
106.06564	0.4
107.08578	1.2
108.04473	1.1
109.02908	0.4
109.10202	0.6
116.98704	0.4
117.07001	0.5
119.08571	0.8
120.04460	0.7
120.08135	0.4
121.10119	0.5
122.06032	2.5
123.04443	0.6
123.08089	0.7
124.03989	0.4
124.07578	1.0
127.03912	0.8
129.07018	0.6
131.08591	0.7
132.08058	0.4
133.06473	0.6
133.10141	0.7
135.08052	2.3
135.11688	0.4
136.07571	1.0
138.05513	0.5
140.07077	2.3
143.08546	0.5
144.08124	0.5
145.06514	0.5
145.10123	0.4
146.06004	0.5
146.09615	0.5
147.11595	0.4
148.07574	0.6
150.05511	0.4
150.09117	0.5
151.07571	0.5
155.08488	0.4
156.08122	0.6
159.08023	0.5
160.07596	1.9
162.09140	0.5
163.03940	0.5
163.08682	1.1
164.07076	0.5
168.06581	2.3
170.06050	0.4
170.09645	0.5
174.09099	3.1
175.08705	0.5
176.07121	0.6
176.10674	0.4
177.10255	1.4
178.08640	13.8
182.08153	0.6
184.07632	1.8
186.09196	0.6
187.07320	0.5
187.08678	1.3
188.07076	3.9
188.10728	0.7
191.08139	0.6
198.09146	1.5
199.08580	0.4
201.06619	0.9
201.10413	2.7
202.08659	5.4
203.11810	0.4
204.10242	0.7
205.09731	4.2
206.08165	1.9
212.07077	0.9
214.07524	0.3
215.11908	0.6
216.10361	2.4
219.07808	0.9
219.11264	5.6
220.09723	2.1
225.10358	0.5
226.08578	2.3
229.09842	4.1
230.08076	3.8
233.09454	0.4
243.11290	1.3
244.09727	3.5
247.10820	12.8
248.09268	0.8
253.09561	0.5
254.08203	0.6
261.12280	0.9
262.10773	1.3
265.11838	13.8
271.10699	1.3
271.17041	0.5
272.09329	1.8
289.11826	14.0
290.10284	0.8
307.12881	100.0
308.13187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55368	0.8
54.18127	0.8
55.01862	1.7
55.05507	3.8
56.96557	2.8
57.07069	2.1
61.65343	0.7
67.05495	5.6
69.07075	5.5
69.50012	2.0
69.50426	3.5
71.08620	3.6
78.52433	0.8
79.05491	3.9
81.07056	8.1
82.07388	1.0
83.08617	1.7
84.08115	0.9
85.06566	0.8
91.05479	3.9
93.07036	6.6
94.04163	2.3
95.04964	5.0
95.08604	8.5
97.06516	2.2
98.20732	1.4
99.08099	1.4
100.07641	1.0
105.07029	3.6
107.08594	4.9
109.06520	7.4
109.10150	3.8
115.35982	0.8
119.08569	2.8
121.06483	2.6
121.10146	2.7
122.03654	5.8
123.11707	1.2
131.08553	2.4
133.10110	2.4
135.08022	1.5
135.11664	2.0
137.05977	100.0
137.09569	1.6
145.10164	1.6
145.79347	0.9
147.11678	1.7
153.12744	1.8
154.12245	1.5
161.13068	0.9
163.11148	2.8
165.12759	23.4
170.15421	1.9
173.13248	2.4
177.12671	0.8
178.57437	0.9
182.15370	2.8
191.14262	4.1
208.16991	1.1
236.44804	0.9
261.22141	2.7
271.20505	1.1
280.71329	0.8
283.08731	0.8
289.21637	14.6
289.24762	0.6
294.17502	0.8
306.21103	1.7
306.24249	10.6
306.27628	1.4
328.98541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69872	0.4
66.04697	0.4
67.05496	0.5
69.07061	1.3
70.85744	0.9
70.86104	0.4
77.51455	0.4
79.05493	1.1
81.07055	0.7
89.54025	0.4
89.79121	0.4
91.05473	0.5
93.07068	0.4
93.58062	0.4
93.96498	0.4
94.04182	2.5
97.94656	0.4
107.08553	0.4
109.10155	0.6
114.09152	0.5
122.03645	5.1
133.10149	1.2
135.11679	1.2
137.05977	100.0
138.06242	0.5
151.11241	0.5
153.12766	1.1
160.29663	0.4
170.15417	2.9
182.15401	2.9
282.97318	0.4
306.20673	1.3
328.47363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2838
Annotation	Pregnan-21-ol
Peak:m/z	Relative Intensity
50.62827	1.4
50.99366	1.6
53.03934	4.0
53.62742	1.4
55.05513	36.0
56.96548	4.5
57.03434	2.3
57.07079	27.0
65.03910	2.9
67.05159	3.1
67.05508	47.4
68.81519	1.7
69.06717	3.4
69.07070	48.7
70.93870	3.2
70.94223	2.7
71.04980	1.8
71.08642	15.2
76.40482	1.7
79.05048	3.5
79.05492	43.7
81.07063	100.0
83.04993	4.7
83.08143	1.8
83.08626	28.3
85.06540	5.1
85.10182	7.8
91.04961	2.3
91.05482	28.9
93.06455	3.8
93.07047	73.5
95.04962	4.4
95.08610	91.9
97.06528	10.7
97.10183	17.1
99.08073	3.5
105.07037	37.5
107.08603	59.4
109.06496	7.1
109.09438	3.3
109.10162	51.7
111.08074	7.3
111.11719	8.3
113.09622	3.2
117.07043	3.6
119.08585	39.5
119.09429	2.0
121.10145	47.2
123.08044	15.2
123.08662	1.4
123.11715	27.4
124.38798	1.8
125.09605	4.8
125.13256	2.8
130.07771	1.7
131.08575	4.1
133.09209	2.9
133.10132	32.5
135.10672	2.6
135.11697	50.2
137.09601	6.3
137.13272	12.9
139.11230	2.8
142.47893	1.6
143.08459	2.9
145.10114	5.0
147.11702	34.4
149.09639	2.2
149.13266	29.0
151.11205	6.2
151.14836	4.8
153.12744	2.1
159.11697	5.4
161.13263	25.6
163.14865	17.0
165.12720	7.3
165.16365	4.1
168.40498	1.6
171.11659	2.5
175.14833	17.6
177.12747	2.8
177.16411	8.0
179.14272	7.1
179.17940	3.4
186.92938	1.6
189.16368	11.4
191.17897	7.2
193.15880	3.2
193.19496	3.0
203.17963	10.9
205.19611	2.3
207.17421	2.5
207.21008	2.9
215.40929	1.6
217.19447	8.6
221.37135	1.8
231.21114	11.6
233.22516	2.1
235.20590	2.7
241.19377	3.3
243.74141	1.6
245.22549	3.4
247.24158	2.9
249.22084	3.9
253.39903	1.9
259.20584	5.2
259.24344	2.3
261.25781	3.8
287.27328	51.3
305.21283	2.9
305.24744	32.6
305.28360	73.0
306.28036	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	305.2474
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03932	3.2
54.43519	1.2
55.01855	1.4
55.05512	21.8
57.03430	1.4
57.07072	13.3
59.04989	1.9
67.05502	43.1
69.06717	2.0
69.07066	28.0
71.04981	3.9
71.08606	4.7
71.61572	1.7
77.03928	1.8
79.05490	67.1
79.94978	1.1
81.03431	1.8
81.07055	71.6
83.04982	2.8
83.08612	16.7
85.06530	2.9
85.10179	1.8
91.05479	27.9
93.07042	100.0
95.04942	5.4
95.08607	58.9
97.06492	6.4
97.10175	7.5
99.08075	2.6
101.05985	2.1
105.04488	1.8
105.07031	26.0
107.08590	71.9
109.06504	3.4
109.10160	30.6
111.08071	3.7
111.11700	2.4
114.90703	1.4
117.06989	3.7
119.08585	26.0
121.06513	1.7
121.10138	54.0
123.08037	5.7
123.11709	11.7
125.09646	4.0
129.06976	1.9
131.08546	5.8
133.10124	23.0
135.08028	3.3
135.11687	65.6
137.09599	4.7
137.13229	5.1
143.08609	1.7
145.10127	5.7
147.11682	18.1
149.09607	4.6
149.13252	40.3
151.11153	4.3
151.14857	1.7
157.10139	3.6
158.72565	1.5
159.11687	6.0
161.13269	16.1
163.11137	5.0
163.14835	16.5
165.12766	4.1
171.11676	4.0
173.13231	4.0
175.11218	2.1
175.14810	11.3
177.12737	3.8
177.16353	4.2
179.14323	3.0
185.13214	4.7
189.12650	2.1
189.16362	3.0
191.17896	1.6
193.15886	1.4
199.14743	3.0
203.14243	2.4
203.17978	4.1
213.16261	2.5
217.19522	4.5
231.17468	1.7
231.21004	4.3
241.19472	6.7
259.20557	12.4
263.19983	1.8
287.27374	14.1
305.24716	57.8
305.28345	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	305.2474
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03941	4.5
55.05291	1.9
55.05515	22.4
56.31608	1.6
57.07083	8.9
67.05165	2.9
67.05507	48.3
69.07069	25.0
71.04998	3.5
71.08635	3.2
72.04527	10.5
73.04860	3.1
77.03931	2.6
79.05496	72.7
79.05956	3.9
81.07061	66.4
83.04979	2.0
83.08620	16.1
85.06537	4.1
91.05480	27.5
93.07051	100.0
95.04963	5.7
95.08615	54.9
97.06518	5.1
97.10153	5.8
99.08129	2.7
105.07036	26.5
107.08597	71.5
109.06527	3.9
109.10175	23.2
111.08111	1.8
111.11732	2.3
117.07039	5.3
119.08579	22.0
121.09296	3.5
121.10149	57.1
123.08085	4.8
123.11725	8.7
125.09655	3.6
129.07039	2.0
131.08565	7.0
133.10126	18.8
135.08125	2.0
135.11697	63.4
137.13255	3.0
139.11153	3.0
143.08586	2.8
145.10109	6.2
147.11681	18.8
149.09637	5.2
149.13269	44.3
151.11137	3.9
151.48503	1.9
157.10117	2.5
159.11682	6.1
161.09781	1.7
161.13269	14.0
163.11191	4.3
163.14813	13.8
171.11719	5.5
173.13260	4.2
175.14830	12.2
177.12761	3.7
177.16382	3.3
185.13226	2.8
185.48299	1.7
189.12785	2.2
189.16553	2.0
199.14847	3.8
201.16469	2.3
203.14299	3.0
204.98080	1.8
213.16428	4.3
217.19530	3.9
223.16904	3.2
229.09108	2.3
231.21136	3.1
235.16988	2.1
241.19557	10.7
252.98122	1.8
259.20621	13.1
287.27319	10.9
305.24411	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03943	3.2
55.01867	3.7
55.05252	3.0
55.05510	30.7
56.96564	4.4
57.03410	4.2
57.07050	8.5
60.26668	2.0
60.81761	2.5
62.99577	2.1
64.24342	2.2
64.51370	2.4
65.03941	3.0
67.05164	2.9
67.05507	46.7
69.03421	10.0
69.06712	3.0
69.07068	45.0
71.04984	11.3
77.03930	2.7
79.05489	34.6
81.03419	26.9
81.07056	89.7
83.04963	6.1
83.08625	19.5
85.02885	3.4
85.06553	21.8
89.60445	2.2
91.05476	28.5
93.07040	66.5
95.04974	34.0
95.08604	82.2
97.06514	11.0
97.10149	10.7
98.97559	15.1
99.08098	8.3
103.05447	3.5
105.07027	43.3
107.04949	5.4
107.08597	50.9
109.06527	11.3
109.10161	42.2
110.97549	4.0
111.08082	9.2
111.11688	6.1
113.09624	4.5
114.51023	2.4
115.05467	3.1
116.98580	6.1
117.06986	12.9
119.08589	34.1
121.06502	41.4
121.10146	35.3
123.08070	11.5
123.11712	20.2
124.07572	3.5
125.09625	7.1
126.09216	2.6
127.11036	2.3
128.06224	3.4
129.07007	6.3
131.00143	4.4
131.08562	21.7
133.06464	3.2
133.10117	30.1
135.08063	41.8
135.11688	24.3
136.07571	14.5
137.05956	4.1
137.09601	8.4
137.13208	6.9
139.11186	5.3
142.07796	2.7
143.00122	2.6
143.08553	11.7
145.10124	29.0
147.08040	10.6
147.11668	27.0
149.09607	11.1
149.13229	22.2
151.11194	6.0
151.14810	3.2
152.07069	6.0
157.10181	14.0
158.99631	4.4
159.11685	21.7
161.09596	5.9
161.13242	18.7
163.11185	7.2
163.14830	9.5
164.07069	10.8
165.12756	2.5
171.11723	11.3
173.13277	14.4
175.14842	12.7
176.14348	3.4
177.00650	3.1
177.12749	11.0
177.16364	3.4
182.08228	3.4
185.13263	8.5
187.14787	10.0
189.12766	4.3
189.16399	5.4
191.14233	3.6
193.15967	4.9
196.38641	2.6
199.14816	12.0
201.16368	4.8
203.02229	3.7
203.14294	2.4
203.17953	5.6
205.15800	2.6
207.17406	3.1
212.06270	3.2
213.16399	7.9
215.17964	3.2
217.15874	3.3
227.17905	4.4
229.19507	3.4
231.17401	6.2
241.19543	4.2
259.24454	3.4
269.22754	13.9
287.13730	3.6
287.23639	38.6
305.05292	12.7
305.14673	2.9
305.17731	6.9
305.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03932	4.7
54.28508	4.6
55.01870	6.5
55.05511	8.8
56.96560	17.7
57.03437	19.2
61.02925	9.9
64.85915	4.2
67.05502	11.1
69.03426	20.4
69.67685	4.1
70.06583	5.0
70.74506	11.0
70.74839	5.8
71.04989	40.2
73.02909	7.0
79.05490	8.3
81.03434	11.2
81.07055	12.0
83.04968	10.9
83.08602	9.2
85.02897	45.6
85.06534	12.9
87.04507	4.9
91.05497	8.5
95.04983	22.7
97.02913	12.9
97.10164	11.0
98.21434	4.6
98.97604	27.1
107.08601	40.8
108.08115	14.4
116.98613	10.3
118.06557	5.1
119.07315	5.1
119.08596	5.4
120.08125	5.1
121.06559	6.4
122.06013	7.4
124.07593	9.5
125.09625	75.9
127.03902	10.2
127.11185	5.5
134.99611	5.1
136.07573	100.0
137.05934	8.5
137.09598	6.6
140.47821	5.4
142.08681	9.9
143.00154	5.4
143.10664	75.1
145.04958	6.9
146.06007	6.0
148.07582	4.9
158.99617	8.6
161.06030	6.4
163.03963	9.9
164.07072	23.6
167.07062	8.8
167.10669	18.6
172.94243	5.8
177.00670	6.2
186.09189	5.7
190.95381	11.4
215.07410	5.5
225.10133	6.3
226.11070	10.4
232.96510	5.9
241.13388	19.9
250.97383	5.4
259.09641	5.0
259.14377	23.7
269.12790	33.3
287.09302	5.3
287.13898	35.9
305.10141	7.2
305.11404	7.0
305.14999	60.0
323.10135	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	305.1494
Annotation	NSC 177499
Peak:m/z	Relative Intensity
55.01860	0.8
56.96563	15.3
58.67672	0.7
61.43929	0.6
67.05479	1.2
67.94586	0.6
69.03413	1.0
69.07053	2.1
71.04987	0.9
71.61062	0.6
71.61403	0.7
71.95262	0.8
79.05493	1.9
81.03398	1.0
81.07048	2.0
81.68760	0.8
84.96027	1.9
85.02914	1.3
85.84100	0.7
88.59099	0.7
91.05482	4.9
93.07022	1.0
94.06524	0.6
95.04968	0.7
95.08602	1.2
97.02907	0.9
97.06513	0.7
98.97583	24.4
102.51125	0.7
102.84117	0.7
103.05455	0.7
105.06974	2.0
107.08592	1.4
109.10117	1.1
110.97578	12.1
112.99136	13.3
116.04970	2.2
116.98613	9.0
118.06558	4.0
119.07272	0.7
119.08586	1.5
120.08109	6.5
122.06071	3.8
123.08034	0.8
124.07561	1.1
124.99168	3.9
127.00688	0.9
127.03956	0.8
128.98599	14.5
131.00165	17.8
131.08563	0.9
132.25604	0.7
134.99651	2.3
136.07616	3.8
137.06052	1.1
138.30724	0.8
140.07036	2.6
143.00157	12.3
144.98064	1.0
145.01749	1.9
145.10098	0.8
146.05977	2.3
146.99660	7.5
147.06770	1.0
148.07570	1.9
149.01219	10.3
149.05888	0.7
150.05463	1.4
152.07021	1.0
158.08472	3.4
158.99669	2.1
161.01215	9.5
164.07080	16.7
166.01823	0.7
170.99687	2.1
171.09172	14.6
172.02831	1.1
172.09924	3.6
173.01178	3.0
173.64435	0.7
175.08705	1.1
177.00729	2.0
185.01189	12.4
185.10791	0.9
187.02814	2.0
189.00710	2.4
189.09158	0.9
191.02277	1.6
203.02275	21.5
213.13878	15.2
217.09758	11.8
218.10437	1.9
219.01712	1.0
221.03284	4.5
227.02260	1.9
236.98991	1.2
241.13373	2.8
242.11710	2.0
243.14978	2.6
245.03300	3.8
259.14417	16.3
261.15851	3.6
263.04449	1.0
269.12854	2.5
270.11292	2.9
287.13885	79.8
305.14932	100.0
306.15515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99031	0.4
55.93542	0.7
56.96567	2.2
57.03444	0.9
58.00002	0.4
61.02916	0.8
63.41717	0.4
69.03437	2.6
70.87916	0.8
70.98127	0.5
71.04980	0.4
73.02938	1.2
76.15894	0.4
78.27573	0.4
81.03411	0.9
81.04537	1.1
82.99857	0.8
84.08130	0.6
84.96078	0.5
85.02915	3.9
91.02460	0.4
91.03973	0.6
95.06092	1.1
96.38381	0.4
97.02896	3.0
97.72489	0.4
98.97597	3.5
99.04442	0.5
100.75667	0.4
101.00880	5.2
103.02442	0.6
109.02874	0.7
110.97597	0.8
113.00873	2.5
115.02469	1.6
116.98676	1.2
117.04008	1.3
119.01916	6.7
121.01596	0.4
122.99780	0.4
124.99148	0.5
125.02377	1.7
125.07133	1.4
127.02469	0.9
127.03944	1.5
128.98645	0.9
129.03983	0.5
131.00241	0.6
131.01909	5.5
131.05528	0.9
133.01701	0.6
133.03485	2.2
135.05067	1.0
136.06299	0.5
139.02429	1.0
141.04057	0.8
143.00165	0.7
143.01868	4.6
143.03444	1.2
143.05556	1.1
143.07039	0.5
143.08154	5.5
145.03448	3.7
146.99698	0.6
149.03043	0.5
149.06633	1.0
150.17728	0.4
155.01912	4.7
156.02705	0.8
157.03467	5.6
158.05971	0.4
158.99690	0.6
159.05040	2.8
161.02928	5.3
161.06604	8.2
163.04236	0.4
167.01894	2.0
169.03494	1.6
169.05453	0.5
171.05132	0.6
173.02946	4.5
173.06679	1.4
174.99124	0.6
175.04552	0.9
177.00665	0.4
179.04045	0.9
179.07623	2.2
185.01344	0.8
185.02951	12.5
185.04512	0.7
185.06572	2.2
187.04543	1.3
189.00858	0.5
189.06166	0.5
197.03069	1.9
197.06676	1.2
199.08240	1.3
203.04012	21.8
203.07640	5.4
204.04333	0.9
205.00264	0.6
209.06773	0.6
214.56369	0.4
215.04070	2.4
215.07634	7.7
217.05783	0.5
217.09276	1.5
221.05029	5.3
221.06892	0.4
223.01294	0.5
223.04660	0.5
226.05690	0.5
227.07788	1.2
229.09340	0.5
233.05055	2.2
237.02892	0.9
239.07742	1.7
245.05099	3.8
245.08832	1.0
246.05585	0.5
275.06293	1.3
275.10004	0.7
287.06558	0.7
287.09854	0.8
296.30438	0.5
305.12103	100.0
306.12619	1.2
323.06866	0.5
323.12015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.0
55.05503	5.9
56.96566	58.9
59.31934	2.6
67.05496	7.8
67.09830	2.7
67.27605	2.8
69.03428	3.6
69.07053	7.9
70.06557	3.8
70.77123	3.1
70.77458	5.7
79.05482	8.4
81.07056	15.8
83.04971	3.4
84.96030	7.7
85.02889	4.8
85.06522	3.3
86.09708	2.8
91.05459	13.7
93.07028	9.2
95.04941	3.7
95.08598	13.6
97.02869	2.9
97.06514	3.6
98.97586	100.0
99.04450	3.4
99.08073	3.5
101.71259	3.0
105.07021	4.6
107.08597	6.2
109.10168	5.3
110.97572	47.1
111.04456	3.2
112.99133	52.6
116.98628	41.7
117.07032	3.7
118.06545	3.5
119.08550	6.1
120.08150	5.1
121.10112	4.6
122.06039	13.8
124.99110	20.6
128.98595	46.8
129.07021	5.9
130.06529	3.0
131.00175	71.6
131.08504	2.7
133.10095	3.7
134.99644	11.0
135.11761	3.1
136.07591	14.2
138.09105	4.0
143.00162	49.2
145.01747	5.5
146.99677	24.8
149.01212	40.3
149.05960	3.5
150.05499	3.8
154.01840	3.5
158.99646	21.8
161.01204	41.1
161.13237	3.1
164.07080	17.7
169.01729	5.0
170.99617	9.7
171.09169	12.7
172.02747	3.4
172.09885	3.3
173.01215	11.4
177.00726	11.3
185.01215	48.1
185.10757	9.3
187.02846	6.6
189.00673	13.4
189.09084	6.6
191.02223	5.3
199.08896	4.0
203.02290	82.1
205.03877	3.9
207.10176	4.0
213.13855	9.8
217.09822	7.2
219.01761	8.3
221.03336	23.0
226.03870	5.1
227.02301	11.7
241.13287	4.9
243.14920	9.6
245.03374	18.2
245.08194	3.7
259.14542	14.2
261.15970	14.2
263.04343	5.6
269.12790	3.4
270.11221	4.3
287.10480	3.9
287.13873	83.5
305.05017	2.9
305.11703	3.4
305.14917	91.3
305.24582	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	305.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02150	1.3
56.96564	60.9
57.03450	1.4
61.29470	1.1
67.05518	1.2
68.96595	1.7
69.03419	2.6
69.07063	1.8
71.04961	1.2
71.95255	3.7
79.05515	2.1
81.07048	4.0
82.63896	1.1
84.96035	10.4
85.02911	1.9
91.05479	3.6
93.07028	1.8
97.02900	1.8
98.97585	92.9
105.07044	2.8
107.04980	2.5
107.08573	1.5
110.97569	57.5
111.08118	1.1
112.99131	67.0
116.98627	35.9
117.06994	1.3
119.08586	1.8
121.06514	1.2
121.10136	2.4
123.08075	1.2
124.07574	1.9
124.99123	22.7
127.00710	5.5
128.98605	56.4
130.06512	1.1
131.00168	80.3
133.10162	1.4
134.05922	1.4
134.99640	7.6
136.07527	1.5
137.05956	3.0
139.00725	1.5
140.07069	2.0
140.98561	3.0
143.00160	57.4
144.05807	1.2
145.01736	5.0
146.06032	2.0
146.99643	22.5
149.01215	38.3
152.00252	1.5
154.01799	1.8
157.01724	1.4
158.01360	1.2
158.06056	2.6
158.99667	9.3
161.01215	37.8
162.99117	1.4
163.02815	2.3
163.07567	1.8
164.07062	3.5
165.00732	2.6
166.01816	1.4
167.02264	2.1
169.01730	4.3
170.99667	9.5
173.01227	11.1
175.02867	1.4
175.07539	1.4
176.99307	1.2
177.00739	5.0
179.02380	2.7
181.08604	1.4
185.01208	55.7
187.02800	9.9
189.00711	11.4
189.09081	3.2
191.02310	8.2
201.00685	2.9
201.55353	1.5
203.02266	100.0
205.03870	3.1
207.10159	1.5
209.01208	1.8
213.14005	1.6
217.08516	1.2
219.01772	1.6
221.03334	25.4
226.03867	4.9
227.02269	11.0
227.07071	1.7
237.02818	2.7
245.03300	18.4
245.07942	1.8
258.51572	1.3
259.09814	2.0
259.14319	1.2
263.04367	6.2
269.13013	2.3
270.11288	1.8
287.09232	1.6
287.13876	11.2
287.16449	1.5
305.05502	3.0
305.10257	2.5
305.15009	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	304.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.96563	4.9
57.07062	2.2
58.07399	0.7
65.03936	1.1
65.78066	0.5
67.05482	2.3
69.07068	5.2
70.06580	2.6
71.06908	0.9
71.08633	1.0
79.05480	2.6
81.07070	3.0
83.08618	1.0
88.07633	4.6
89.07974	1.1
91.05466	1.8
92.05007	0.6
93.03415	2.9
93.07043	2.3
95.08604	2.4
97.06530	1.9
98.97556	1.0
102.09194	0.6
104.46673	0.5
105.07039	1.1
106.08702	0.8
107.04907	1.1
107.08524	2.8
109.05256	1.3
109.10148	1.7
110.03667	5.6
111.04443	2.5
112.10993	0.6
119.08562	1.2
119.99884	0.6
120.04474	1.2
121.10214	0.8
123.11710	0.7
124.07597	2.1
125.06003	10.3
128.86102	0.5
133.10155	1.2
134.10522	0.7
135.11688	2.1
137.04710	5.1
137.05974	1.9
152.07071	100.0
157.09981	0.7
169.04282	0.6
223.13258	0.6
256.26410	1.5
271.34152	0.7
280.64853	1.2
281.15903	1.2
286.30209	1.2
304.05353	1.0
304.19360	3.8
304.23502	0.8
304.28400	2.3
304.31232	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01862	2.0
55.50961	1.6
56.96575	1.7
57.03424	4.6
58.06590	2.0
60.04522	7.6
61.02915	4.4
65.69324	1.3
69.03431	17.5
69.07072	46.9
69.91621	5.9
70.95831	1.2
71.04995	2.7
71.08635	20.1
81.03426	10.6
84.04490	3.9
85.02909	76.4
86.02420	6.4
86.06062	5.5
91.05467	1.6
96.08131	3.1
97.02894	42.1
97.06519	8.3
98.97598	2.6
99.04434	2.7
103.03980	6.4
109.02889	15.4
114.08411	1.6
114.09165	21.0
115.04409	1.2
122.06787	1.4
124.07500	1.7
127.03931	15.0
138.09161	5.1
139.75719	1.5
142.08641	100.0
145.04965	7.9
145.09706	1.5
156.10208	3.7
157.26794	1.4
167.07069	8.3
168.07359	12.4
184.09694	85.3
198.32913	1.4
208.09703	17.2
220.09669	2.2
245.04546	1.5
245.14973	2.2
250.10767	11.2
268.11725	1.4
286.12643	2.2
304.14120	7.1
305.15509	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68922	1.3
53.03949	1.9
55.01867	1.9
56.96557	1.3
57.03430	6.0
58.02964	1.5
58.06598	2.1
60.04534	11.1
61.02922	5.0
63.11067	1.4
69.03437	17.5
69.07071	44.0
69.77918	8.7
71.04986	1.8
71.08636	22.3
73.02899	1.7
81.03429	8.3
84.04504	4.2
85.02908	73.0
86.02428	6.5
96.08076	3.0
97.02898	45.8
97.06541	6.3
99.04464	2.6
103.03926	7.9
109.02885	12.1
111.71091	1.4
114.09180	19.8
115.03934	1.6
127.03908	15.7
128.34657	1.3
136.11847	1.3
138.09187	3.6
142.08644	100.0
145.04961	6.4
156.10220	3.7
167.05313	1.4
170.87123	1.5
180.10196	2.9
184.09700	95.5
208.09685	18.2
220.09895	2.4
238.10831	2.7
250.10718	11.7
286.12817	1.9
304.13876	5.5
305.15677	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	303.2318
Annotation	Agallochin G
Peak:m/z	Relative Intensity
55.01874	3.0
55.05513	27.9
56.96569	36.0
57.07057	3.9
67.05507	27.5
69.07059	22.9
69.65264	18.5
71.04991	3.9
74.91468	2.6
79.05489	27.5
81.07053	35.6
83.08611	13.3
89.29971	2.4
91.05484	49.6
92.43594	2.6
93.07038	29.7
95.04970	3.8
95.08615	45.8
97.06499	6.6
97.10120	3.0
97.99183	8.3
100.02503	3.4
103.99796	2.9
105.07030	72.5
107.08609	21.0
109.06493	3.4
109.10157	19.2
111.08063	3.9
116.00229	3.9
117.06989	16.4
118.92734	3.4
119.08575	80.9
120.08814	2.6
121.06521	3.1
121.10117	15.0
123.11684	8.2
125.09589	3.0
129.07048	5.8
131.08559	24.1
132.09337	3.8
133.10130	46.8
135.08037	5.3
135.11716	15.0
143.08588	7.5
145.10124	36.8
147.10596	2.0
147.11688	57.1
149.09618	7.8
149.13283	7.6
153.01819	7.9
157.10112	11.0
159.11687	40.2
161.09688	3.8
161.13235	20.5
163.11185	5.3
168.29285	2.9
169.10112	7.5
171.11687	10.1
173.13289	27.7
175.14838	7.0
183.11731	5.5
185.13243	3.2
189.16411	4.6
201.12816	4.9
201.16391	5.0
211.14882	3.4
215.18004	11.3
223.14241	4.7
229.15605	3.1
232.14822	3.3
239.02377	3.0
239.17917	20.0
241.15363	7.6
250.15878	15.4
250.65994	4.2
252.66161	3.2
257.19009	28.3
257.21744	3.7
257.22269	3.2
261.66541	15.2
262.16785	9.9
270.67078	7.6
273.17575	4.7
273.67572	2.9
279.67807	3.7
282.18036	3.5
285.22272	6.1
303.05283	14.1
303.08170	3.8
303.19531	14.9
303.23169	100.0
303.26678	6.0
303.30862	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	303.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01863	0.4
56.96553	0.8
57.03424	1.0
59.34485	0.3
61.02926	0.7
62.27606	0.3
67.05499	1.0
69.03429	0.7
69.07056	0.5
69.35567	0.3
69.43675	2.4
73.02916	0.4
78.04699	1.1
78.17776	0.3
79.05486	1.4
81.03405	0.3
81.07046	0.5
85.02906	1.6
86.16785	0.3
88.17305	0.3
91.05472	1.6
93.07030	1.4
93.46646	0.3
94.06623	0.3
95.04965	1.0
96.36326	0.3
97.02888	1.3
98.21456	0.5
98.97578	1.4
101.45744	0.3
101.90472	0.3
103.01051	0.4
103.05459	1.3
105.07029	1.2
106.04171	1.0
107.04951	1.7
107.08572	0.4
109.02853	0.6
109.06500	0.5
116.98638	0.6
119.04926	0.4
121.06516	2.5
122.03662	0.4
122.06047	0.4
123.04439	4.1
124.05211	1.1
127.03983	0.3
127.24796	0.3
131.01917	0.5
131.04919	0.5
131.05957	0.3
133.06516	1.1
134.03636	0.5
137.05995	2.7
140.07034	0.5
141.07327	0.5
142.08659	0.7
147.04344	0.3
149.05983	4.0
150.05496	1.2
151.03883	1.1
151.07585	0.7
152.04691	1.5
152.07089	0.7
152.26503	0.3
153.01833	0.6
153.05441	0.8
158.99649	0.5
161.05994	0.8
163.07556	0.4
165.05501	0.6
165.06845	0.4
166.06198	0.4
167.07048	100.0
168.07443	0.6
169.06566	0.3
179.07034	0.4
181.08580	2.9
182.08237	0.4
183.08276	1.3
184.09665	0.8
193.08618	3.0
196.09995	0.4
203.14903	0.3
209.08167	0.5
211.07806	0.6
211.09676	3.0
211.12177	0.6
213.09692	0.6
214.08665	0.3
219.01764	0.3
227.09297	0.5
229.10657	0.5
234.98859	0.4
237.02658	0.5
242.39357	0.3
243.10860	0.4
255.11369	0.4
257.12839	0.8
271.09744	0.4
273.12393	0.5
285.12363	1.8
303.05042	0.9
303.13443	10.1
318.97278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27691	0.6
56.96563	1.4
67.49798	0.7
70.17725	1.8
70.18107	1.4
72.08154	0.8
83.04959	0.7
85.02928	1.2
91.05481	2.1
97.60149	0.6
98.97586	1.7
100.69003	0.8
109.10195	0.6
111.04494	0.8
112.07481	0.6
116.98602	1.1
120.49334	0.6
121.06535	1.5
129.05551	0.6
131.04947	1.1
135.04398	0.8
137.05981	6.8
149.05896	0.9
151.07552	2.3
153.01868	0.9
153.05559	0.9
153.07014	1.3
165.07022	2.5
168.05753	1.0
176.03242	0.6
181.06548	0.6
183.08115	1.5
187.93666	0.6
207.04514	0.8
211.07588	2.9
213.09758	1.1
239.07050	1.0
243.10257	2.2
271.09763	2.7
288.09982	1.1
303.14182	100.0
304.14355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Hesperetin
Peak:m/z	Relative Intensity
55.01868	0.2
65.03951	0.4
67.01865	3.7
68.99792	2.3
69.03437	1.6
70.11664	0.8
79.05492	0.4
81.03402	0.3
83.01333	0.6
89.03914	5.3
91.05477	0.9
93.03385	0.9
94.46271	0.2
95.04946	0.3
96.90467	0.2
97.02895	1.0
103.05481	0.5
106.04166	0.4
108.16328	0.2
111.00803	0.6
111.04446	0.8
117.03380	16.1
121.06522	0.5
122.03624	0.3
123.04472	1.4
124.40239	0.2
125.02348	0.5
125.05981	0.9
129.01834	0.3
129.85593	0.2
131.04906	0.3
132.52003	0.2
134.03583	1.4
135.04396	0.9
136.05228	0.3
137.02237	0.2
137.05983	3.3
138.07899	0.2
145.02846	30.2
145.68359	0.2
149.05972	5.1
151.03896	0.9
151.07542	2.0
153.01826	100.0
154.02155	0.5
155.03300	0.2
162.03125	0.7
163.03926	1.5
163.07727	0.2
166.02579	0.3
171.02887	5.8
176.62953	0.2
177.05467	42.6
178.05876	0.3
179.01816	0.4
179.03391	7.7
186.05455	0.3
197.05960	0.4
198.93721	0.2
201.05394	0.3
219.06522	0.8
236.47565	0.2
257.13016	0.2
261.07504	0.3
270.05307	0.3
271.09619	0.3
285.07565	0.7
287.05338	0.5
303.08627	56.8
304.09100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01872	0.2
65.03937	0.5
67.01871	0.3
68.99792	2.5
69.03397	0.3
70.71684	0.5
78.28668	0.2
81.03400	0.7
93.03395	0.9
95.04965	0.6
109.02876	1.1
111.00811	1.8
117.07015	0.3
121.02865	1.6
123.04384	0.6
127.03952	0.4
131.04959	0.4
135.04373	0.5
137.02344	7.0
137.03386	0.6
145.06468	0.9
149.02332	0.9
153.01830	10.1
155.04912	1.0
155.06027	0.3
161.05954	0.7
163.03873	1.1
165.01837	4.3
166.02611	0.4
173.06012	1.3
177.05417	0.3
183.02855	1.3
183.04404	0.9
187.03896	1.1
191.03444	0.3
191.06960	0.3
195.02922	0.3
199.37885	0.3
201.05467	4.4
205.05128	0.4
211.03917	0.3
219.02893	0.4
219.06601	0.5
228.04247	0.4
229.04956	8.7
234.06433	0.3
239.03433	0.3
247.06047	1.3
257.04465	4.9
270.58282	0.2
274.04688	1.3
285.03918	2.0
297.14532	0.2
303.04987	100.0
304.05313	1.5
324.49988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62788	22.8
65.43049	22.1
70.06627	19.5
71.59462	34.7
72.39045	18.3
72.76199	22.0
85.02892	26.4
119.28451	20.2
123.65334	20.0
153.50172	20.4
200.98325	19.6
269.66635	19.8
303.08383	100.0
303.10986	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Hesperetin
Peak:m/z	Relative Intensity
54.16883	0.3
63.02426	0.3
67.01868	5.9
67.05502	0.8
68.99784	3.8
69.03426	1.9
69.49023	0.9
69.49429	1.4
79.05495	0.7
80.45265	0.4
81.03420	0.9
81.07060	1.0
83.01361	0.8
89.03925	3.7
91.05485	1.6
93.03404	1.0
93.07047	1.0
95.08598	0.8
97.02919	1.6
98.55477	0.3
105.07054	0.7
106.04185	0.5
107.08568	0.6
109.10149	0.6
110.56474	0.4
111.00784	1.1
111.04455	0.8
117.03385	12.7
119.08560	0.6
121.10178	0.5
123.04424	1.4
125.02354	0.7
125.05992	0.8
127.03898	0.5
129.01854	0.8
131.08519	0.3
133.10100	1.0
134.03604	1.2
135.04396	1.0
137.02335	0.6
137.05991	3.6
143.08583	0.5
145.02844	24.5
145.10158	0.4
147.11664	0.5
149.05975	4.0
151.03893	1.2
151.07524	3.0
153.01830	100.0
159.11671	0.6
162.03128	0.6
163.03865	1.2
171.02898	13.3
177.05469	37.1
179.03391	8.9
186.05573	0.7
201.05476	0.5
211.07326	0.4
211.80264	0.3
219.06541	0.9
285.07492	0.9
303.05072	4.9
303.08600	50.5
303.23187	1.5
304.09085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
65.03925	0.6
66.09255	0.1
67.01863	0.4
67.05489	0.6
68.99789	2.4
69.03413	0.3
69.76572	0.3
69.76985	0.6
71.04978	0.2
71.26888	0.1
74.20757	0.2
74.75255	0.1
79.05498	0.3
80.42928	0.1
81.03412	0.8
81.07049	0.5
87.42368	0.1
91.05477	0.2
93.03409	0.7
93.07046	0.2
94.39391	0.1
95.04971	0.9
95.08589	0.5
98.97645	0.2
105.03350	0.3
105.04498	0.1
105.07024	0.4
107.01322	0.1
107.04953	0.3
107.08574	0.4
109.02881	1.2
109.10166	0.2
111.00801	2.1
111.04426	0.3
115.05462	0.2
117.03362	0.2
117.07014	0.6
119.08572	0.3
121.02882	2.4
121.10120	0.2
123.04423	0.9
123.66268	0.2
126.48366	0.1
127.03922	0.4
129.06931	0.2
131.04893	0.4
133.02837	0.3
133.06502	0.2
135.04427	0.5
137.02344	7.9
137.03421	0.5
137.05925	0.2
139.03922	0.2
145.02861	0.5
145.06512	0.7
147.11696	0.2
149.02336	0.9
149.05963	0.3
153.01823	12.4
153.12709	0.2
155.04924	1.4
155.06042	0.2
159.04410	0.5
161.05966	0.7
163.03958	1.3
165.01828	4.2
166.02614	0.6
167.03336	0.1
169.84818	0.1
173.05956	1.4
177.01898	0.2
177.05423	0.6
179.03397	0.5
183.02873	1.5
183.04407	1.1
187.03960	0.9
191.03322	0.3
191.06996	0.3
195.02866	0.5
200.04654	0.2
201.05463	4.9
205.04961	0.4
211.03922	0.5
213.05568	0.2
215.03300	0.2
219.02895	0.3
219.06529	0.5
228.04137	0.8
229.04953	9.9
233.04346	0.1
239.03423	0.4
245.04541	0.2
247.06017	1.5
257.04449	5.4
258.05014	0.2
274.04703	1.3
275.05313	0.4
285.03943	2.5
303.04984	100.0
304.05322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32616	0.2
55.01867	0.4
65.03921	0.3
66.89657	0.2
67.01868	0.4
67.05504	0.3
68.01262	0.2
68.99788	2.3
70.09013	0.4
70.09403	0.4
79.01862	0.2
79.50282	0.2
81.03415	0.6
93.03400	0.6
95.04970	0.9
105.03358	0.4
109.02869	1.0
111.00818	1.7
117.07034	0.3
121.02878	2.1
123.04422	0.6
127.03932	0.6
131.04939	0.7
135.04416	0.3
137.02347	6.9
137.03360	0.4
139.45480	0.2
140.36711	0.2
145.02878	0.2
145.06483	0.7
149.02341	0.8
153.01834	9.7
155.04895	1.3
159.04443	0.3
161.05942	0.5
163.03938	1.6
165.01833	3.3
166.02641	0.7
173.06038	1.7
177.05496	0.6
179.03346	0.3
183.02887	1.4
183.04469	1.1
187.03911	0.9
191.03441	0.3
191.06856	0.2
195.02922	0.4
201.05492	4.1
205.05029	0.3
207.02821	0.2
211.03873	0.4
212.78563	0.2
213.05423	0.2
219.06508	0.6
228.04192	0.7
229.04970	9.0
239.03481	0.4
246.05243	0.3
247.05988	1.2
257.04465	4.6
257.07062	0.4
274.04721	1.3
275.05453	0.4
285.03897	2.5
303.04996	100.0
304.05371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02728	0.1
52.27741	0.1
53.03948	0.2
55.01864	0.4
56.96553	0.1
65.03933	0.6
67.01855	0.4
67.05492	0.5
67.49136	0.1
68.99426	0.1
68.99788	2.3
69.03389	0.3
70.84825	0.2
70.85151	0.1
71.01324	0.2
71.04980	0.2
79.05472	0.2
81.03412	0.8
81.07052	0.3
85.02903	0.2
85.06551	0.1
85.94300	0.1
91.01857	0.1
91.05463	0.3
92.28011	0.1
93.03423	0.6
93.07016	0.2
95.04975	0.9
95.08606	0.3
97.02886	0.3
102.62888	0.1
103.05490	0.2
105.03376	0.3
105.07032	0.3
107.04940	0.3
107.08600	0.2
109.02892	1.1
109.10143	0.1
110.03648	0.1
110.98326	0.1
111.00798	2.1
115.05427	0.2
117.07009	0.4
119.08617	0.1
121.02872	2.4
121.06504	0.1
121.10118	0.2
123.04453	0.7
123.11711	0.1
126.03020	0.1
127.03916	0.5
129.06987	0.2
131.04880	0.4
133.06523	0.2
135.04424	0.5
137.02344	8.5
137.03394	0.5
137.05939	0.3
143.04893	0.2
145.02882	0.2
145.06477	0.8
147.11604	0.2
149.02344	1.0
149.13252	0.1
151.03993	0.2
153.01826	10.9
155.04897	1.2
155.06047	0.2
157.06482	0.3
159.04424	0.4
161.05951	0.8
163.03899	1.3
165.01840	4.4
166.02626	0.7
171.02893	0.2
173.05983	1.6
177.01888	0.2
177.05518	0.4
179.03383	0.4
183.02887	1.8
183.04448	1.1
187.03902	1.0
191.03426	0.3
191.07076	0.3
195.02930	0.4
200.04681	0.1
201.05467	4.6
205.01108	0.1
205.04974	0.6
207.02930	0.2
211.03854	0.3
213.05446	0.3
215.03412	0.2
219.02913	0.4
219.06471	0.6
228.04140	0.7
229.04956	9.8
230.05420	0.1
232.03914	0.2
239.03401	0.5
245.04311	0.2
247.06049	1.3
249.18539	0.1
257.04462	5.7
274.04733	1.6
275.05426	0.4
285.03918	2.7
303.04984	100.0
304.05325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59778	0.5
92.43156	0.3
93.56625	0.3
98.97585	1.5
101.00878	2.0
110.02074	0.3
116.98639	0.7
119.01917	5.9
134.99875	0.6
137.02921	1.0
153.00853	0.3
158.99840	1.2
177.00960	14.7
178.01062	1.3
179.00688	1.5
182.99910	0.9
201.00894	2.0
203.00679	0.8
217.04070	2.6
219.02013	22.3
220.02139	2.9
221.01765	3.7
222.02049	0.4
225.00784	2.2
236.99895	0.6
238.95580	0.4
242.99394	0.5
243.01959	10.5
244.02255	1.2
256.96796	1.3
258.99957	0.9
261.03049	100.0
262.03189	12.7
263.03082	1.2
266.03625	0.5
274.97714	0.7
277.01080	0.4
279.00650	1.2
279.06119	0.7
279.98138	0.7
282.99997	1.8
284.04742	2.0
284.99835	5.1
285.04868	0.5
301.01022	2.5
302.01062	0.4
303.00967	5.9
303.05676	2.4
320.97519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56210	0.1
53.03936	0.2
55.01865	0.4
55.05502	0.1
58.55800	0.1
65.03938	0.6
67.01859	0.4
67.05511	0.4
68.99420	0.1
68.99789	2.4
69.03428	0.4
69.07050	0.2
70.07047	0.1
71.01328	0.1
71.04987	0.2
71.61716	0.1
72.97397	0.1
77.03951	0.1
79.05489	0.3
81.03423	0.9
81.07047	0.3
83.01344	0.1
83.05780	0.1
85.02881	0.2
85.06528	0.1
86.09698	0.1
91.05451	0.3
93.03408	0.8
93.07020	0.3
95.04970	0.9
95.08600	0.2
97.02872	0.2
97.06490	0.1
98.97552	0.2
99.04461	0.1
103.05453	0.2
105.03382	0.3
105.07021	0.4
107.01310	0.2
107.04914	0.3
107.08589	0.3
109.02876	1.3
109.06512	0.1
109.10157	0.2
110.03633	0.2
111.00033	0.1
111.00805	2.4
111.04423	0.2
115.03971	0.1
115.05463	0.2
117.07004	0.4
119.04932	0.2
119.08585	0.2
121.02865	2.3
121.06500	0.1
121.10133	0.3
123.04436	0.9
126.03127	0.1
127.03940	0.5
128.06186	0.1
129.06987	0.2
131.04910	0.5
131.08549	0.1
133.02858	0.3
133.06476	0.3
133.10083	0.1
135.04422	0.8
135.11667	0.1
137.02345	8.0
137.03392	0.5
137.05934	0.3
139.05423	0.1
140.06989	0.1
143.04863	0.1
145.02824	0.2
145.06462	0.9
145.10117	0.1
147.04305	0.1
149.02341	0.9
149.06003	0.1
151.03941	0.1
151.07542	0.1
152.07085	0.1
153.01823	10.7
154.02216	0.1
155.04918	1.1
155.06061	0.2
157.06444	0.3
159.04370	0.3
161.05988	0.9
163.03899	1.6
163.07489	0.1
165.01837	4.3
166.02626	0.6
167.03336	0.1
171.02875	0.1
173.02393	0.1
173.05974	1.7
177.01842	0.2
177.05487	0.3
179.03368	0.5
181.01381	0.1
183.02875	1.8
183.04433	1.0
183.08058	0.1
184.05191	0.1
185.05963	0.1
187.03908	1.0
189.12752	0.1
191.03479	0.3
191.07013	0.2
193.01410	0.1
195.02895	0.5
200.04709	0.2
201.05467	4.5
203.03354	0.1
205.05006	0.6
206.78139	0.1
207.02962	0.3
211.03909	0.3
213.05487	0.3
215.03362	0.3
217.05038	0.2
219.02890	0.2
219.06554	0.5
228.04204	0.7
229.04951	9.9
230.05362	0.1
232.03656	0.2
233.04541	0.1
239.03488	0.4
243.02785	0.1
245.04463	0.3
246.05298	0.2
247.06036	1.4
249.18602	0.1
256.03748	0.1
257.04449	5.5
258.04916	0.1
274.04742	1.6
275.05405	0.3
285.03934	2.6
285.11908	0.1
286.04614	0.1
303.04980	100.0
304.05331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3053
Annotation	Sphinganine
Peak:m/z	Relative Intensity
57.07076	8.3
58.06593	0.7
62.06077	0.4
62.28067	0.3
69.46407	1.8
69.46821	0.8
70.06599	12.1
71.08635	3.0
76.07345	0.3
85.10179	1.1
88.07078	0.8
88.07631	16.3
98.21445	0.6
102.09185	4.4
106.08670	8.8
122.06017	0.3
156.82816	0.4
175.42015	0.4
180.84212	0.3
186.85983	0.4
191.62514	0.3
193.92337	0.4
258.27939	1.1
284.29504	5.8
302.30539	100.0
303.30878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03435	3.2
61.02925	2.6
65.03930	1.2
66.64403	1.2
67.05502	38.0
67.05859	1.9
69.03431	16.1
69.07082	6.8
69.93034	1.6
69.93309	6.8
70.06564	1.6
71.05003	1.5
73.02933	1.3
78.47369	1.2
81.03448	6.5
85.02905	41.8
86.26131	1.2
95.04967	53.5
97.02891	38.7
99.04476	1.9
103.03938	3.0
109.02862	8.5
112.07611	34.3
113.06021	3.4
122.06038	2.4
123.04458	1.2
124.07610	2.6
127.03919	6.0
136.07590	1.9
140.07065	100.0
141.07397	1.3
142.79816	1.3
145.04976	4.7
145.21263	1.4
150.09169	1.4
154.08652	6.6
178.08655	3.4
182.08124	64.6
204.37894	1.4
206.08093	13.7
218.08205	1.8
236.09174	1.4
246.83791	1.2
248.09164	8.9
268.53699	1.3
302.12589	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.05487	3.4
56.96566	3.1
57.03422	8.5
61.02917	6.7
65.65451	2.9
67.05499	13.7
69.03431	16.5
70.06589	21.8
70.74662	5.5
70.75001	3.6
71.04981	3.9
72.08155	38.1
73.02906	6.2
79.05476	8.7
81.03424	10.5
81.07068	14.2
85.02901	100.0
86.09692	12.6
94.06534	3.1
95.04939	6.3
95.46365	2.9
97.02889	56.1
97.06536	3.2
98.97556	7.0
99.04458	3.8
103.03920	5.6
108.08124	17.0
108.76006	2.7
109.02877	16.1
112.07619	17.2
122.06029	10.6
125.06012	7.5
126.05526	8.1
127.03905	21.3
130.06516	3.9
132.10207	5.4
136.07559	24.4
140.03384	4.3
140.07069	49.0
140.57770	3.0
143.11787	18.2
145.04950	9.2
150.09109	5.1
152.07030	23.3
154.08609	10.3
158.08131	3.9
164.07068	27.5
171.11278	9.5
178.08598	19.6
182.08121	95.4
203.13841	3.9
206.08098	37.8
218.08186	3.7
229.05035	3.0
248.09120	11.1
302.11414	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	7.1
65.03967	3.6
67.05503	6.5
69.03431	13.3
69.51540	9.7
69.51965	12.7
70.06608	17.4
70.06898	2.8
72.08137	3.9
73.02940	3.7
81.03426	8.0
81.07056	9.4
83.24007	3.8
85.02909	100.0
86.09703	14.6
95.04950	6.3
97.02898	39.8
103.03937	5.0
108.08111	12.3
109.02859	10.6
111.52197	3.1
112.07607	10.8
122.06028	12.6
125.06014	6.6
126.05522	9.7
126.09153	5.9
127.03917	14.9
129.43985	3.9
132.10193	6.8
136.07581	18.8
140.07062	50.8
140.08058	4.5
143.11783	7.5
143.33444	3.5
145.04961	16.2
152.07063	23.5
154.08638	7.8
164.07097	26.3
178.08653	23.0
182.08136	96.5
182.09734	5.6
189.12416	4.7
206.08157	39.9
224.32286	3.5
248.09242	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	302.0871
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00323	0.2
53.03946	0.5
55.01857	0.6
56.96555	0.4
57.03431	0.7
61.02920	1.5
69.03424	2.8
70.64970	0.6
71.04988	0.4
73.02906	0.8
78.03442	0.8
78.23102	0.2
81.03397	1.1
83.01323	0.2
84.08138	0.2
85.02908	8.8
87.04483	0.5
91.03957	0.7
94.02950	0.3
97.02897	3.0
98.97594	1.0
99.04443	0.5
100.47138	0.3
109.02876	0.4
111.57049	0.2
115.03947	0.3
122.02387	7.3
122.03284	0.3
127.03898	1.3
140.03427	100.0
141.03784	0.4
145.04970	1.1
158.99669	0.3
185.90843	0.2
199.98672	0.7
201.08713	0.3
219.01785	0.2
241.99792	0.2
279.51523	0.3
296.78473	0.2
302.08813	2.7
302.12000	0.3
303.10492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01868	1.9
56.45859	1.1
56.96553	4.2
57.03432	1.6
61.02918	3.4
63.97930	1.2
65.03917	1.6
67.05509	36.6
67.35560	1.1
69.03434	15.6
69.07082	7.9
69.65466	7.0
70.06575	1.8
71.04982	1.4
71.69407	1.1
73.02914	2.5
81.03422	5.8
84.08133	2.2
85.02911	42.8
86.09694	1.2
91.58472	1.0
94.06562	2.3
95.04973	53.1
97.02274	2.0
97.02900	38.3
98.97590	4.0
99.04436	1.9
103.03927	3.2
109.02857	9.7
110.97537	1.2
112.07614	35.3
113.05991	2.8
116.98640	1.5
122.06017	1.4
124.07603	2.0
127.03915	8.4
136.07561	3.3
140.07069	100.0
145.04991	3.2
150.09216	1.4
154.08659	7.5
178.08679	2.1
182.08141	65.4
184.13846	1.2
206.08112	12.8
218.08057	1.8
236.09158	1.5
237.02797	1.6
237.46736	1.1
248.09258	9.7
249.10890	1.5
250.78355	1.1
279.07562	2.1
284.11429	1.3
302.12454	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	301.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18950	1.7
55.05515	30.2
56.96564	2.1
57.03434	2.2
57.07076	14.6
59.04985	3.0
62.27565	1.7
63.99261	1.7
67.05505	42.0
69.03433	3.5
69.07070	41.3
71.04993	7.8
71.08624	4.1
71.61916	2.4
79.05484	15.2
81.07057	89.3
83.04981	3.1
83.08617	20.3
85.06541	10.8
91.05490	8.0
93.07047	23.7
95.04966	2.2
95.08610	100.0
97.02866	1.8
97.06525	3.9
97.10171	17.7
98.97595	3.0
99.08085	4.4
105.07024	6.4
107.08602	20.8
109.06561	2.4
109.10159	54.0
111.08028	2.1
111.11704	7.9
113.09673	3.1
117.07009	2.3
119.08602	5.0
121.10139	16.3
123.11705	25.9
125.09593	2.2
125.13307	2.2
131.08572	3.9
133.10104	4.3
135.11699	18.0
136.07567	2.2
137.05989	5.8
137.13235	12.4
141.07047	1.7
143.08568	2.3
145.10106	6.3
145.65495	1.7
147.11685	2.4
149.13271	12.7
151.14795	8.8
153.07024	3.5
154.06602	1.9
155.08542	2.8
157.10097	2.2
159.11699	3.1
163.14806	10.0
165.07045	2.7
165.16428	5.8
167.03354	2.0
168.05711	1.9
169.06525	2.1
169.13722	1.9
170.07280	2.1
171.11667	3.3
173.13293	4.2
177.16432	6.1
181.06493	6.5
185.09560	2.2
191.17969	7.4
195.08034	1.9
198.06754	2.7
202.74434	1.9
205.19525	2.1
213.08986	2.7
226.06334	3.2
240.93356	1.7
241.08492	3.0
247.24240	13.1
247.26414	1.9
255.21053	2.6
265.25290	10.6
269.08090	2.1
273.03860	2.2
283.26340	8.8
286.04816	3.5
301.03848	1.9
301.07034	5.0
301.10757	19.5
301.14380	5.7
301.18314	2.1
301.21613	8.2
301.24689	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	301.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.5
56.28624	2.3
57.07078	10.6
66.97772	1.8
67.05158	3.1
67.05505	37.1
69.07071	40.2
71.04994	7.2
71.08621	6.5
71.21273	2.6
71.21613	3.5
79.05489	20.1
81.07059	91.1
83.04973	3.6
83.08613	22.1
85.06547	12.4
91.05473	8.3
93.07053	24.0
95.04942	3.1
95.08610	100.0
97.06524	4.7
97.10181	15.6
98.97578	5.8
99.08068	3.5
104.38676	1.8
104.95645	2.8
105.07011	8.7
107.08605	23.2
109.10163	59.3
111.11702	10.0
113.09659	2.6
119.08550	6.9
121.10165	20.2
123.11713	28.6
125.13367	2.1
127.11198	2.5
129.07008	2.6
131.08562	4.0
131.43182	2.0
133.10136	6.5
135.11707	11.8
137.05962	4.9
137.13260	10.5
143.08582	3.3
145.10132	2.9
147.11697	4.1
149.13258	16.3
151.14795	6.4
153.06982	3.1
157.10144	2.9
159.11679	4.2
163.14806	10.1
165.06981	3.9
165.16386	5.3
177.05547	2.8
177.16364	7.3
181.06476	3.5
187.14742	2.7
191.17943	4.8
202.54825	2.2
247.24219	8.9
251.06871	2.2
265.25211	15.2
283.26215	9.7
286.04828	3.8
301.07224	4.5
301.10684	16.0
301.14325	6.5
301.21579	9.2
305.50677	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	43.7
57.03428	8.6
57.07064	18.7
67.05510	43.8
69.07070	50.8
71.05020	5.6
71.08627	8.5
71.62099	7.3
79.05506	32.2
80.93137	5.7
81.07051	93.6
83.04970	7.2
83.08627	30.9
85.06532	11.1
91.05476	14.1
93.07042	42.9
95.08608	100.0
97.10144	16.6
102.35771	5.6
105.07034	19.8
107.08581	48.0
109.10168	62.8
111.08106	11.6
115.65137	6.0
117.06966	6.9
119.08572	21.5
120.57027	6.1
121.10138	43.7
123.08076	8.6
123.11700	26.9
129.06972	7.6
131.08575	12.0
133.10127	20.2
135.11722	39.4
137.13234	12.5
141.09058	11.3
144.09456	6.3
145.10129	19.3
147.11652	14.7
149.13269	17.4
151.07478	7.0
157.10202	10.1
159.11664	12.4
161.13199	8.8
163.14824	14.7
171.11642	6.0
173.13245	7.4
199.14896	7.1
201.16451	9.7
213.16306	8.2
227.17972	9.2
247.24203	20.9
255.20992	15.2
286.04724	13.2
301.07077	24.8
301.10611	14.2
301.14026	10.8
301.18158	14.4
301.21567	30.0
301.25027	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	301.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94299	5.8
55.05511	58.2
56.96559	17.0
57.03455	8.2
57.07073	45.7
67.05511	56.8
68.60712	6.0
69.07066	55.4
69.37851	24.6
69.38275	29.5
71.04996	9.1
71.08640	33.2
71.23764	6.7
77.67324	5.8
79.05505	43.6
81.07061	100.0
83.04980	12.1
83.08630	49.1
85.06546	6.8
85.10179	9.6
91.05471	20.4
92.64773	6.2
93.07032	54.8
95.08612	91.1
96.52758	6.6
97.06526	25.2
97.10145	31.8
98.97589	8.2
105.07019	22.9
107.08592	49.0
109.10162	50.8
111.08075	17.0
111.11783	7.2
112.91378	6.0
117.07000	11.0
119.08580	34.0
120.03594	6.2
121.10161	56.4
123.11696	21.7
125.09621	12.2
131.08569	23.3
133.10135	10.6
135.11673	35.4
136.82957	7.1
137.13220	8.2
139.11168	19.8
143.08540	11.0
145.10114	11.8
147.11703	28.5
149.13232	32.7
153.12743	14.6
157.10156	10.6
159.11681	22.8
161.13167	13.4
163.14737	15.4
165.12727	6.5
167.14323	7.3
168.00504	6.7
171.11734	9.3
173.13272	15.6
181.15797	7.1
185.13332	12.8
196.96431	6.6
199.16904	7.2
201.16251	8.1
219.21039	41.5
237.22047	23.3
247.20599	11.3
255.21089	33.8
265.21652	22.8
286.04761	25.4
301.07169	34.5
301.13934	9.6
301.17267	9.6
301.17944	11.9
301.21545	48.9
301.24625	38.2
301.32935	17.8
317.10352	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03945	1.5
55.01879	14.4
55.05515	23.5
56.71375	1.4
57.03439	21.6
57.07063	3.8
67.05505	31.4
69.03404	3.3
69.07070	13.2
70.64263	1.4
70.79444	1.9
70.79781	3.3
73.02903	5.2
79.05109	1.8
79.05491	19.9
81.03416	3.2
81.07059	25.4
81.84414	1.4
82.04185	3.5
83.04980	8.9
83.08626	10.1
85.02908	1.9
87.04424	2.1
89.64564	1.5
90.60905	1.5
91.05473	23.8
93.07048	33.5
95.04948	6.2
95.08609	100.0
97.06519	4.3
97.10144	10.1
98.07287	4.2
101.06033	1.6
105.06373	2.1
105.07040	27.0
107.04933	4.2
107.08595	35.6
109.06522	2.1
109.10152	18.4
111.04436	4.9
111.08111	1.8
116.04716	16.8
117.06995	5.6
119.08591	28.3
120.09377	1.8
121.06470	2.1
121.10146	25.0
123.08069	4.4
123.11739	10.5
125.05984	8.5
125.09638	8.9
125.36063	1.3
129.05479	36.3
129.06995	4.8
131.08571	10.6
133.10121	23.9
134.27312	1.3
135.08020	2.0
135.11696	16.6
137.05946	2.9
137.09586	1.6
139.07503	1.4
142.07742	1.8
143.07057	7.9
143.08577	8.2
145.10132	14.0
147.08023	2.8
147.11714	14.4
149.06018	1.8
149.13242	5.5
151.07544	1.7
153.09081	2.9
155.08539	1.6
157.08598	16.6
157.10115	14.0
159.11693	15.7
161.09634	5.0
161.13222	8.4
163.14816	1.9
165.09084	1.6
169.10141	3.0
170.10890	2.2
171.08032	1.7
171.10149	6.1
171.11679	10.8
173.09630	2.9
173.13239	7.9
175.11201	2.8
175.14798	3.3
177.09137	2.7
179.10600	8.5
183.11751	2.5
185.09579	2.5
185.11844	1.7
185.13266	8.7
187.11131	5.8
187.14790	4.4
189.09207	1.5
189.11195	10.0
189.12750	2.0
193.12262	1.9
195.28354	1.5
199.11253	2.3
199.13182	2.7
199.14861	5.3
200.13976	3.0
201.12767	2.4
201.16425	5.8
203.17911	7.6
205.12215	7.4
209.13321	1.6
213.12782	4.3
213.16414	4.7
214.39955	1.3
215.18002	2.4
217.12263	3.5
219.13811	2.2
227.12621	3.9
231.13861	7.5
239.18002	2.7
241.19525	4.1
245.15356	5.0
255.21057	13.4
259.16879	3.4
265.19592	1.6
283.20581	10.0
286.04727	2.2
301.07007	4.0
301.16565	15.9
301.21628	63.9
301.24966	3.1
301.28564	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	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02106	0.5
57.37878	0.4
69.10404	0.4
69.54415	3.0
70.06619	0.4
70.13992	0.5
72.79747	0.4
85.02916	0.6
127.58537	0.5
139.07251	0.6
162.76282	0.5
198.98578	0.9
200.87930	0.6
203.05362	0.7
289.23114	0.5
301.12567	100.0
302.12918	1.5
321.74588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2008
Annotation	Achaetolide
Peak:m/z	Relative Intensity
53.03948	4.9
53.55741	3.3
55.01867	4.1
55.05509	35.4
57.03427	6.4
67.05504	74.9
69.07069	18.0
69.56679	22.5
71.04985	4.4
79.05484	35.3
81.07050	100.0
83.04983	6.5
83.08612	28.3
91.05485	26.3
93.07043	37.8
93.09859	3.2
94.29107	3.8
95.04958	8.7
95.08035	7.3
95.08606	99.0
97.06532	8.8
97.10161	12.2
98.21423	8.5
105.07053	24.5
107.08585	31.6
109.06501	4.5
109.10158	54.8
111.08102	9.2
117.07043	10.3
119.08578	28.5
121.06525	7.0
121.10155	34.7
123.08068	6.8
123.11724	17.5
125.09645	10.5
129.07021	4.5
131.08569	15.0
133.06418	3.6
133.10121	17.9
135.08025	6.1
135.11673	24.1
137.09615	13.4
137.13197	4.6
139.07538	61.3
139.11195	4.1
143.08551	5.9
145.10118	25.2
147.08005	4.7
147.11690	7.0
149.09578	6.1
153.07111	5.5
153.09125	39.4
155.10664	3.7
157.10095	8.7
159.11699	22.6
163.11226	7.3
171.11688	4.9
173.09651	6.8
173.13232	12.9
177.16371	7.7
181.12231	6.6
184.06683	3.5
185.13246	6.9
187.14789	5.9
189.11218	3.7
201.09117	4.4
201.16383	37.6
213.09178	4.2
213.16411	7.2
219.17412	30.9
229.15916	5.8
237.18497	75.1
247.16875	17.5
255.20998	12.0
257.11688	13.4
265.17969	42.7
283.19077	8.7
286.04684	6.1
301.07178	11.3
301.10703	12.2
301.14191	7.8
301.18430	6.0
301.21585	30.9
301.25031	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	301.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
61.02919	0.8
62.65948	0.3
67.05505	0.5
69.03423	1.0
69.38020	2.4
69.38437	0.7
71.24819	0.4
73.02901	0.7
80.16376	0.3
82.99892	0.4
85.02891	1.8
97.02886	1.0
101.00876	1.0
109.02909	0.4
111.04459	0.4
113.00896	0.5
119.01925	1.0
120.95421	1.1
122.01364	0.5
127.03910	0.5
131.01894	1.7
137.98526	0.3
138.05521	0.6
138.96371	4.0
138.97247	0.4
139.05869	0.3
140.03412	1.0
142.82426	0.4
143.01938	0.7
145.03473	0.5
155.01880	1.2
156.97487	16.0
157.03494	0.8
167.05354	0.4
168.06578	1.1
168.97523	0.9
173.02971	1.5
174.98520	7.4
177.97987	0.5
180.97467	17.8
182.99007	0.8
185.02826	0.4
192.97432	1.8
196.88893	0.4
198.05595	0.4
198.98537	100.0
199.98694	1.2
203.03960	0.5
210.98540	7.4
213.00005	0.7
216.99599	21.7
221.05115	0.9
222.00124	1.9
222.98462	0.5
226.98053	0.3
228.99596	16.5
234.98579	0.5
240.99593	6.8
247.00607	2.0
252.01245	0.6
252.99629	1.4
259.00696	1.7
271.00687	1.0
294.93033	0.4
301.01672	9.8
301.08679	1.0
301.12137	0.3
319.02722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55592	0.3
53.03932	0.6
55.01837	0.4
55.05510	0.8
56.66870	0.4
56.96555	1.5
57.03435	1.1
60.22540	0.3
60.77882	0.3
61.02912	1.3
69.03438	3.2
71.04993	0.5
71.29955	0.9
73.02905	2.0
81.03423	1.4
83.04968	0.7
85.02905	6.0
87.04487	0.5
97.02896	2.8
98.97585	2.2
99.04452	0.4
101.00881	1.0
103.02446	0.5
109.02884	0.7
110.97554	0.5
113.00854	0.7
115.02422	0.7
116.98623	0.4
119.01942	2.4
120.95399	0.7
121.06496	1.4
122.06840	1.3
127.03923	1.9
131.01913	2.0
133.03442	0.9
136.06203	1.1
137.06000	0.9
138.05530	0.6
138.96384	3.2
139.03822	0.4
139.05891	0.8
140.03436	1.5
143.01884	0.8
145.03467	0.9
145.05002	0.9
155.01927	1.3
156.97479	17.2
157.03497	1.2
158.99666	0.6
159.03288	0.6
159.05217	0.4
160.06581	0.4
161.02942	1.4
161.04713	0.7
161.06604	0.5
163.03941	0.7
169.03354	0.6
170.05200	1.1
171.01279	0.3
171.05087	0.4
173.01462	0.4
173.02998	2.0
174.98531	8.6
175.04538	1.8
177.00676	0.6
177.04471	0.4
180.97453	15.2
182.99072	1.2
185.02890	1.0
187.04424	0.5
192.97414	0.8
194.99080	0.8
198.98535	100.0
199.98737	1.1
201.00272	0.5
203.03981	1.0
205.05450	0.9
210.98524	6.4
213.00146	1.0
215.07599	0.4
216.99597	22.3
219.01718	0.7
220.07642	0.5
221.05060	1.1
222.00006	1.8
228.99593	12.1
237.02817	1.1
240.99568	7.7
245.05180	0.5
247.00648	2.0
252.99622	1.2
259.00714	2.2
271.00735	0.9
283.13715	1.6
301.01694	11.7
301.08911	17.7
301.14389	1.5
305.10754	0.5
319.02661	1.6
319.08514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05510	13.6
56.96547	2.4
57.07077	6.4
67.05511	24.3
69.07072	21.1
69.54810	2.3
69.55232	5.1
70.07388	1.0
71.08615	2.8
79.05505	6.7
81.07060	33.4
83.04989	1.9
83.08619	7.9
85.10194	1.0
89.23426	0.9
91.05473	8.3
93.07047	20.4
95.04962	1.1
95.08605	56.6
97.06516	0.9
97.10180	9.2
98.97569	1.8
100.80319	0.9
104.03036	0.9
105.07031	24.5
107.04994	0.9
107.08597	25.4
109.09454	1.8
109.10163	31.4
116.89153	0.9
116.98637	1.2
117.07004	1.5
119.07783	1.5
119.08592	21.9
121.10146	18.4
123.11705	17.0
131.08559	3.9
133.10144	16.8
135.11693	12.7
137.13251	6.3
145.10120	6.5
147.11690	21.4
149.13257	12.6
151.14809	1.4
157.10110	2.2
159.11697	8.4
161.13261	23.1
163.14833	7.2
171.11685	1.9
173.13257	4.3
175.14815	10.6
177.16376	7.2
179.17924	1.0
183.11719	2.1
185.13231	1.1
187.14757	4.1
189.16418	14.8
191.17984	7.7
201.16371	6.8
203.17950	14.7
205.19588	1.1
211.14697	0.9
215.17928	10.9
217.19525	8.7
229.19504	7.7
243.21066	4.4
253.19626	1.4
257.22678	3.5
267.11691	1.1
271.16827	2.1
276.65872	1.1
281.22992	0.9
299.20535	4.7
299.27325	100.0
300.27545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01853	1.4
55.05509	16.6
55.80972	0.9
57.03414	2.0
57.07079	7.3
59.09985	1.1
61.97512	1.1
67.05170	2.2
67.05506	27.0
69.03415	2.8
69.06720	1.3
69.07069	24.5
71.04984	11.1
71.08620	2.4
71.61524	1.5
79.05492	11.1
81.07057	43.0
83.04984	2.3
83.08608	14.6
85.06129	1.3
85.06548	14.2
85.10183	1.2
91.05486	10.5
93.07047	21.7
95.04966	4.7
95.08607	50.6
97.06522	4.3
97.10173	6.7
98.97574	1.4
99.08093	4.8
101.05980	1.5
105.07040	13.2
107.04955	100.0
107.08596	18.4
109.06511	2.5
109.09451	1.4
109.10162	23.8
111.08071	3.1
111.11718	3.5
113.09668	2.4
115.07577	1.4
116.07099	1.3
117.07030	1.7
119.08573	9.7
121.06532	2.0
121.10148	14.2
123.04415	1.0
123.08066	1.8
123.10038	1.3
123.11703	11.2
125.09621	3.3
129.09055	1.2
131.08563	2.9
133.10110	9.6
135.08012	1.3
135.11674	9.8
137.02309	2.1
137.06000	2.6
137.09569	2.2
137.13234	3.7
143.08551	2.8
145.10132	2.7
147.04379	1.1
147.07939	1.2
147.11690	7.1
149.09592	1.6
149.13254	9.1
151.07568	1.0
153.12709	1.9
156.72725	1.2
157.10138	2.6
159.08127	1.2
159.11702	3.1
161.09573	1.3
161.13219	3.8
163.07576	1.3
163.11217	1.6
163.14842	8.0
165.12804	1.3
165.16350	1.4
169.10103	1.4
171.11739	1.7
173.13322	1.7
175.07585	1.5
175.14841	3.9
177.16374	1.2
181.15976	1.6
183.11725	2.6
185.13275	2.0
189.16350	5.2
192.04196	1.3
193.04967	35.9
196.63960	1.2
197.13277	1.5
199.14787	1.1
203.17860	1.6
207.17590	1.3
211.14926	1.4
219.55740	1.0
232.68039	1.4
239.07037	1.9
245.22647	7.7
253.19611	3.9
263.16113	1.1
263.23770	5.3
281.18988	1.4
281.24765	4.9
299.09155	61.6
299.12613	3.7
299.20169	9.3
299.25964	5.8
300.09598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2581
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.63957	2.7
53.03937	2.8
55.05511	35.8
57.03431	5.0
57.07078	11.2
67.00591	2.3
67.05167	3.1
67.05504	51.5
69.03413	3.8
69.05773	2.3
69.06715	3.4
69.07069	46.9
71.04985	15.8
71.08620	5.3
79.05493	25.2
81.07059	100.0
83.04955	3.5
83.08627	26.3
85.06541	24.9
85.10161	2.6
91.05496	13.8
93.07040	37.3
95.08607	89.1
97.06507	6.4
97.10162	16.7
99.08081	14.8
105.07025	18.8
107.05009	2.8
107.08590	39.5
109.06504	2.5
109.09444	4.1
109.10158	59.6
111.08074	7.7
111.11707	6.6
113.09657	3.6
119.08586	14.9
121.10162	27.9
123.11707	23.2
125.09601	6.5
128.36722	2.5
129.12735	4.6
133.10126	16.2
135.11696	26.5
137.09592	3.1
137.13257	9.6
139.11224	2.6
147.11696	13.8
149.13252	21.9
151.14938	4.2
153.12689	2.5
161.13211	8.5
163.14851	19.3
165.12727	3.7
175.14783	7.9
177.16374	5.1
179.14319	2.7
189.16356	13.6
203.18002	3.2
229.76788	2.9
245.22699	17.0
263.23770	19.3
281.24695	9.1
299.13016	2.6
299.25754	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	299.2581
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.03944	3.2
54.69031	3.9
55.05516	43.9
57.03426	8.0
57.07076	18.6
60.10967	3.7
67.05505	61.9
67.81017	3.1
69.07066	42.9
69.58220	11.7
69.58651	14.1
71.04980	12.3
71.08612	10.9
79.05483	15.2
81.07063	81.5
83.08623	75.3
85.06553	5.9
91.05486	17.8
93.07058	22.9
93.07529	3.2
95.08611	100.0
97.06541	4.2
97.10178	37.8
97.32253	3.8
98.18704	3.6
99.00809	9.0
105.07027	5.8
107.08571	16.8
109.09461	4.4
109.10168	62.8
111.11707	13.5
119.08549	10.4
121.10154	8.5
123.11715	22.9
125.13284	4.1
133.10153	21.6
135.11705	12.4
137.13268	5.5
149.13191	9.9
151.11116	4.3
151.14799	5.2
159.11703	3.9
161.09615	7.9
161.13231	3.8
163.14809	11.5
179.14211	3.7
189.16434	3.6
225.11177	8.3
235.24232	9.1
237.37354	3.2
245.22707	6.0
253.25183	3.9
255.52998	3.3
263.23697	15.7
269.91394	4.2
281.24863	5.3
299.14929	15.1
299.20230	4.4
299.25916	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	299.2218
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
53.80208	5.3
55.05507	35.4
56.96561	13.1
57.07066	8.0
61.73091	6.1
67.05514	58.8
69.07061	54.2
69.97609	31.0
71.05004	6.6
79.05482	37.6
81.07052	64.8
83.08639	30.0
91.05473	32.3
93.07053	72.2
95.08610	62.5
97.06528	16.9
97.10175	27.6
98.97563	8.8
105.07036	27.7
107.08616	37.8
109.06503	6.7
109.10156	21.0
119.08575	31.9
121.10146	67.4
123.08078	9.4
123.11713	14.8
131.08562	11.0
133.08527	6.9
133.10100	28.1
135.11685	36.6
137.09599	16.8
145.10106	17.7
147.11691	23.0
149.13284	9.1
151.11177	8.2
159.11717	7.0
161.13264	17.1
217.19527	19.4
227.17857	14.2
235.20587	17.3
245.18936	11.7
263.20026	100.0
299.22208	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2219
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
55.05519	32.8
56.96573	42.6
57.07076	11.9
60.04546	5.1
60.95846	6.8
67.05216	5.5
67.05512	63.9
69.07074	36.7
69.95894	9.7
69.96310	25.4
71.04986	6.7
71.08622	7.8
79.05489	28.5
81.07059	62.0
83.04984	6.2
83.08619	31.2
91.05475	39.2
93.06518	9.1
93.07047	73.6
95.04969	9.1
95.08612	63.1
97.06524	11.7
97.10153	19.0
98.97571	20.3
105.07043	28.2
107.08593	39.5
109.06541	5.7
109.10154	33.9
111.11675	6.1
116.98627	12.4
117.07063	8.3
119.08603	36.5
121.10158	60.5
123.08047	5.5
123.11694	17.0
125.09682	6.2
131.08583	19.7
133.10132	32.3
135.11713	38.5
139.11169	6.0
141.09065	6.3
142.07791	7.4
143.08545	5.7
145.10112	13.1
147.11690	27.1
148.58623	6.4
149.13211	8.6
157.10156	16.8
159.11639	15.3
161.13283	16.6
169.10152	6.4
171.11742	11.6
173.13310	6.8
177.16371	6.6
183.11687	8.9
185.13243	10.2
196.59973	5.9
197.13307	12.5
204.95378	6.2
225.16461	9.6
227.17897	9.0
253.19528	21.0
258.15378	11.9
263.20093	100.0
267.11984	7.7
275.97729	9.4
293.98810	7.0
299.19879	32.0
299.27429	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01861	7.7
55.05511	20.1
57.03440	12.4
57.07077	11.0
59.04995	2.9
61.02920	6.7
67.05509	34.2
69.03430	17.3
69.06715	2.4
69.07065	32.2
69.87652	10.6
71.01350	3.7
71.05000	8.9
73.02906	3.6
79.05498	21.3
81.03427	10.8
81.07060	100.0
82.07374	1.9
83.04996	10.5
83.08608	12.7
85.02914	27.1
85.06535	8.8
85.10145	1.8
87.04450	2.1
91.05474	21.4
93.07047	35.3
95.04974	10.8
95.08611	61.5
97.02892	9.4
97.06525	7.6
97.10151	6.2
98.97649	2.0
99.04475	4.1
103.03943	5.5
105.07034	28.0
107.04948	20.4
107.08601	44.2
109.02864	4.0
109.06492	8.4
109.10158	47.1
111.04413	10.2
111.08061	4.5
111.11703	5.3
113.09656	1.9
115.03909	5.3
117.07030	6.7
119.08585	28.5
121.02852	2.6
121.06481	6.8
121.10171	18.7
123.08058	4.6
123.11697	15.2
125.05998	4.7
125.09638	2.7
127.03923	3.7
128.06223	2.5
129.05443	7.7
129.06969	4.5
131.08578	13.3
133.05046	2.5
133.06490	4.1
133.10139	20.1
135.11694	15.9
137.05992	7.3
137.09636	3.4
137.13261	20.3
141.06894	2.8
142.07845	3.2
143.08572	10.6
144.09282	2.4
145.04987	5.6
145.10144	11.9
147.08064	6.8
147.11703	17.4
149.09596	4.6
149.13266	21.6
151.11182	2.2
151.14726	2.2
153.09058	2.6
153.12701	2.9
155.08565	2.7
157.10129	5.8
159.08060	2.9
159.11726	12.4
159.12819	2.0
161.06038	2.1
161.09628	5.4
161.13263	14.7
163.07556	2.0
163.14827	5.5
165.12698	3.0
167.14227	2.1
169.10120	5.2
170.10904	2.0
171.11665	6.8
173.09584	3.3
173.13237	9.6
175.07564	4.5
175.14835	7.1
177.05495	3.0
177.12737	8.7
179.14275	7.8
183.11678	4.0
183.15912	2.2
185.06050	2.3
185.09674	3.1
185.13274	6.7
189.09108	4.2
189.12811	2.9
189.16368	3.3
191.14391	4.9
197.13235	3.0
199.14825	5.9
203.10745	2.9
203.14325	6.4
209.13194	2.6
215.14308	2.4
217.15858	3.3
221.15303	5.6
227.14392	4.4
233.15489	1.9
236.22119	2.4
245.15379	14.7
256.07495	2.3
263.16391	18.0
263.24017	2.7
281.17520	10.8
281.24722	3.2
297.87314	2.1
299.05768	3.8
299.09167	9.3
299.12726	5.0
299.19797	16.7
299.23645	5.5
300.09451	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	17.3
53.03938	6.9
55.01874	10.7
55.05512	64.0
56.96567	2.0
57.03184	2.0
57.03439	36.3
57.07069	4.9
59.05006	8.0
67.05171	2.0
67.05505	36.3
69.03413	7.4
69.07066	9.2
71.01343	5.5
71.04999	2.6
71.61838	2.5
73.02915	2.3
79.05492	25.3
81.03413	15.0
81.07056	53.7
83.04967	10.1
83.08125	2.6
83.08620	34.6
85.06534	6.0
91.05479	56.1
93.07043	43.0
95.04957	11.9
95.08597	15.1
97.02899	14.8
97.06531	7.8
97.10150	4.1
99.00816	70.9
99.04434	1.9
99.08108	2.5
101.02343	1.7
103.05476	4.7
105.07030	49.8
107.04956	12.5
107.08585	21.3
109.02882	25.9
109.06514	8.8
109.10162	16.4
111.04427	3.4
111.08069	9.9
113.06013	2.2
115.03951	8.9
115.05516	1.8
117.07031	7.8
119.04926	4.3
119.08585	25.4
121.06509	19.6
121.10110	3.8
123.04419	5.6
123.08051	3.0
123.11678	6.7
127.03896	9.5
128.06206	4.7
129.06981	3.1
131.08536	4.9
133.06520	3.4
133.10129	100.0
135.08038	4.7
135.11667	3.5
137.05951	4.4
137.09622	3.8
139.07556	8.9
139.19824	1.8
143.08566	14.4
145.06454	2.8
145.10170	4.3
147.04367	2.3
147.08052	4.1
151.11183	39.5
161.09619	59.8
165.09123	2.3
171.08087	9.8
179.10667	37.2
189.09102	35.4
189.10806	1.1
197.11670	14.6
199.14742	1.6
207.10118	12.7
220.32442	1.9
225.11218	49.7
243.12224	6.0
253.19641	2.0
299.14865	83.2
299.20163	7.1
299.23767	3.4
299.27325	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	299.0915
Annotation	Alfalone
Peak:m/z	Relative Intensity
52.26600	0.3
53.03944	1.1
56.96579	0.3
57.07068	0.3
67.01877	0.3
67.05500	0.9
68.99776	0.3
69.07078	0.6
70.73538	0.7
77.03901	0.5
78.53444	0.2
79.05508	2.0
81.07059	1.4
83.08608	0.4
85.02895	0.4
91.05486	0.4
91.47015	0.2
93.07030	0.6
94.22048	0.3
95.04969	1.1
95.08617	0.9
97.06540	0.4
105.07043	0.4
107.04956	100.0
108.05272	0.3
109.10201	0.6
119.08601	0.4
133.10138	0.5
135.11664	0.2
137.02426	0.3
140.19540	0.2
153.01849	0.5
161.09616	0.4
169.05057	0.3
173.13385	0.3
183.11728	0.3
185.17961	0.3
192.04199	1.4
193.04967	34.1
199.02959	0.2
277.49271	0.3
299.09146	59.5
299.20218	0.7
300.09470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.71355	0.1
56.96562	0.3
57.03413	0.2
60.08146	0.5
61.01154	4.8
68.12222	0.2
69.03424	0.7
69.64769	0.6
69.65182	0.6
75.02702	2.1
81.03448	0.2
85.02902	0.4
87.04449	0.2
94.04044	0.6
97.02893	1.5
98.21463	0.3
98.97590	0.8
101.09641	0.2
101.28207	0.2
103.02154	0.3
109.10176	0.2
116.98610	0.3
119.03572	0.6
133.98923	0.2
135.04398	0.2
136.06184	100.0
137.04570	0.5
137.05824	0.2
145.03188	1.4
154.06274	0.3
158.99615	0.3
159.76448	0.2
163.04190	1.4
167.07019	0.2
169.08542	0.3
183.06628	0.2
187.53694	0.2
193.08591	1.5
217.06332	0.3
219.00220	0.2
222.07491	0.2
239.09219	0.2
266.11783	0.5
298.09671	3.0
298.16867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05518	21.5
56.96569	8.9
57.03427	3.8
58.06248	1.7
59.05003	7.5
61.02917	2.6
69.03436	7.7
69.07074	2.1
70.06593	1.8
71.60258	1.5
71.60726	1.6
73.02910	3.5
73.06549	2.9
81.03392	2.3
83.04984	11.4
84.04516	1.5
85.02484	1.8
85.02911	19.6
87.04438	2.8
91.05480	2.4
95.11745	1.8
96.04475	3.6
97.02908	10.2
98.97578	17.7
101.06020	100.0
110.97550	5.2
116.98624	9.5
119.07063	28.6
124.03023	2.5
124.03954	49.5
127.03915	5.1
128.98596	6.4
133.02859	3.6
134.99696	2.6
136.06151	5.2
137.05917	3.0
145.04955	5.4
146.99661	3.5
147.04341	1.7
152.05653	3.9
158.99625	5.6
159.16615	2.0
161.02792	2.7
163.03963	2.3
166.07309	9.4
167.06982	1.8
174.86336	1.9
175.04367	1.9
177.00671	3.2
179.07092	2.1
182.03383	2.3
193.04366	8.5
196.96725	1.6
202.04883	3.3
208.11169	2.6
219.01703	3.8
237.02777	2.1
241.03819	5.0
264.10263	1.7
265.03754	4.6
265.06558	7.7
266.11829	7.7
274.06992	14.4
283.05096	2.1
298.09402	14.6
298.12772	3.3
299.06012	2.2
300.06131	2.2
315.27716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.91681	0.6
58.02969	1.5
58.06587	1.7
67.05490	2.1
69.07010	0.6
69.53723	4.2
70.06595	4.1
72.04517	1.0
78.97373	0.6
81.07056	17.1
84.07688	1.0
84.08149	13.8
86.06068	30.6
95.08587	1.7
97.10175	4.3
112.11246	61.4
113.66401	0.6
121.10133	1.2
123.11706	9.4
139.11241	0.7
152.14330	1.3
153.76352	0.6
165.60075	0.7
170.15381	0.9
180.17493	3.3
182.15392	1.4
198.18517	13.8
208.17018	1.0
226.18022	60.8
269.25885	46.3
269.28934	1.1
269.30191	0.9
270.26328	0.9
279.24268	1.1
297.25372	100.0
298.25568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03942	2.9
55.01871	1.6
55.05508	23.8
56.96569	8.3
57.07072	5.6
67.05502	49.9
67.43121	1.7
69.07068	27.6
69.62321	2.7
69.62736	6.9
71.04990	5.0
79.05491	34.4
79.05946	2.0
81.06572	3.6
81.07054	73.7
82.07384	1.7
83.04968	6.1
83.08613	24.5
85.06545	5.0
89.83767	1.7
91.05460	12.1
92.05795	1.6
93.07043	41.7
95.04947	2.9
95.08607	70.3
97.06532	33.0
97.10184	10.4
98.83450	1.5
98.97585	4.9
99.08084	3.1
105.07028	16.4
107.08584	32.8
109.10154	35.5
111.08090	11.7
111.11724	2.0
116.98631	2.3
117.07075	2.0
119.08576	12.4
121.10134	51.4
123.11704	15.0
125.09605	3.2
126.25409	1.7
126.34776	1.5
131.08537	3.9
133.10138	10.1
135.08083	2.6
135.11693	30.2
137.13239	4.3
139.11143	2.4
145.10080	7.6
147.10524	2.1
147.11679	13.9
149.13239	12.7
151.11200	2.1
151.14824	2.4
157.10075	2.5
157.31816	1.7
159.11694	6.5
161.13263	17.0
163.14839	4.6
165.12790	2.2
165.16377	3.1
173.13342	3.3
175.14761	3.9
177.16380	2.6
187.14841	3.8
197.15411	1.9
198.41814	2.2
201.16348	2.7
233.22673	3.2
243.20990	8.2
261.22134	27.8
262.53104	1.9
274.97647	4.8
276.67157	1.7
279.23190	100.0
280.23636	2.4
297.18491	3.0
297.24808	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	297.2423
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.05509	27.6
57.03410	3.0
57.07065	11.9
62.47525	2.9
67.05157	6.1
67.05506	78.1
69.07076	34.5
70.00742	8.2
70.01161	7.7
71.04993	9.9
73.25075	2.9
79.05505	29.1
79.11652	2.8
81.07061	100.0
83.04987	6.5
83.08606	20.7
84.79470	3.1
85.06537	6.9
90.20056	3.2
91.05472	10.9
93.07053	31.1
95.04961	3.3
95.08610	79.0
97.06541	8.8
97.10171	13.8
99.08027	3.7
101.73693	3.2
104.22283	3.1
105.07059	11.9
107.08597	21.3
109.10169	42.3
111.11745	4.2
116.10794	3.3
119.08576	8.7
120.61915	2.9
121.10139	22.5
123.11709	19.6
125.09637	4.8
131.08604	9.8
133.10141	7.7
135.11688	15.8
137.13275	6.1
137.74873	3.4
139.11227	3.9
145.10130	6.2
147.11705	5.2
149.13263	7.4
151.11092	3.8
151.14850	5.2
156.44653	2.8
159.11717	6.2
161.13260	12.6
165.12814	4.1
173.13242	7.4
175.14656	3.8
187.14906	3.9
218.54605	3.0
243.21146	10.1
261.22159	23.4
279.23190	59.9
297.24490	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	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03928	3.6
55.01860	3.2
55.05513	32.7
57.03410	4.9
57.07054	5.1
65.03930	1.8
67.05505	85.9
69.03423	2.2
69.06719	2.2
69.07069	38.1
69.93947	3.9
69.94350	8.2
71.04993	11.1
71.08618	3.3
73.06561	2.1
79.05048	2.9
79.05492	33.7
81.07057	100.0
83.04964	6.5
83.08624	16.9
85.02914	1.9
85.06540	8.2
91.05460	14.8
93.07047	36.3
95.04971	4.1
95.08607	92.6
97.06509	7.8
97.10169	14.2
99.08065	3.6
105.07024	15.0
107.08594	25.6
109.10164	49.2
111.08094	5.4
111.11698	2.3
117.06990	5.3
119.08577	15.6
121.06475	2.1
121.10149	22.8
123.08089	2.9
123.11707	19.5
125.09586	5.4
128.36540	1.8
131.08604	9.6
133.10136	9.8
135.08023	2.4
135.11693	21.2
135.82338	1.9
137.09698	1.8
137.13277	8.4
145.10126	9.2
147.11699	11.2
149.09610	2.7
149.13245	8.8
151.11183	3.8
159.11697	6.9
161.13281	8.4
163.11174	2.9
163.14867	3.4
166.43785	2.1
167.10631	2.1
173.13254	5.7
175.14783	4.2
177.16382	3.8
179.14276	2.5
187.14816	5.1
189.11237	3.1
209.15416	2.5
219.21002	2.3
221.42714	1.8
223.13306	5.5
223.16902	2.8
226.18147	2.6
243.21109	7.0
253.72281	1.8
261.22131	21.8
266.99948	2.8
279.20306	4.1
279.23221	58.4
297.17105	5.5
297.21063	2.0
297.24274	22.2
299.06158	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	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.01862	5.2
55.05263	2.1
55.05512	33.4
57.03442	6.1
57.07070	6.3
59.04987	2.2
65.03927	2.3
67.05508	79.3
69.03423	2.9
69.07071	54.8
69.07449	2.8
69.91039	4.7
71.04985	10.3
71.08635	2.8
73.06548	2.0
79.05494	34.5
80.19510	1.1
81.07058	100.0
81.26942	1.0
82.07397	1.3
83.04984	6.7
83.08628	17.9
85.06544	8.3
91.05488	13.5
93.06457	2.6
93.07045	45.9
93.43217	1.2
95.04963	3.3
95.08608	93.3
97.06536	11.7
97.10165	13.1
98.97562	2.3
99.08075	2.9
105.07038	13.9
107.04896	1.5
107.08595	25.4
109.06480	3.5
109.10159	49.4
111.08061	4.6
111.11703	4.4
112.11247	1.3
117.07018	3.2
119.08582	9.7
121.10145	28.5
123.08029	3.1
123.11713	23.7
125.09607	4.8
129.06964	1.2
131.08577	9.8
133.10141	10.5
133.95102	1.3
135.08080	1.4
135.11696	20.2
137.09656	2.7
137.13272	9.5
139.11203	6.4
145.10117	5.0
147.11688	10.8
149.09651	1.9
149.13258	7.8
151.11142	3.3
151.14810	4.4
153.12729	2.3
159.11681	5.3
161.13251	10.6
163.11171	1.8
163.14818	4.7
165.12743	3.0
165.16336	1.3
171.11668	1.3
173.11839	1.8
173.13150	6.2
175.14862	3.3
177.16377	2.8
179.14334	2.7
181.12315	1.6
187.13312	2.1
187.14815	4.9
189.16360	1.3
195.13774	2.6
199.47066	1.3
199.65189	1.1
201.09087	1.7
201.16374	1.6
202.42238	1.1
209.13469	1.3
209.15340	3.1
223.16957	3.1
226.17972	1.5
233.22574	2.1
242.28737	1.2
243.21107	9.8
261.22147	32.2
279.23196	96.1
280.23627	1.3
297.18832	1.5
297.24298	10.0
297.27982	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	297.2062
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
53.03932	7.7
54.49476	4.3
55.01873	5.2
55.05508	53.2
56.96565	50.8
57.07080	22.5
67.05504	76.6
69.07071	72.6
71.05002	12.3
71.08630	12.3
71.62223	7.6
71.95226	5.4
79.05492	64.5
81.03385	7.1
81.07052	99.3
83.04969	10.9
83.08611	44.3
84.96012	4.4
85.06535	7.1
91.05461	30.4
93.07050	78.4
95.04992	12.1
95.08601	100.0
97.02913	8.3
97.06546	10.1
97.10162	21.9
98.97578	27.4
99.04456	6.8
105.07034	29.2
105.70473	4.2
107.04957	9.6
107.08580	53.4
109.10155	47.8
111.08086	10.7
111.11742	5.4
112.11214	7.5
116.98615	19.7
117.07044	15.3
119.08567	28.3
121.06508	6.4
121.10137	60.0
123.08083	10.6
123.11680	24.7
125.06007	7.8
125.09602	4.8
131.08554	17.8
133.06473	5.4
133.10144	14.9
135.08031	17.0
135.11670	30.7
137.13266	9.5
139.07545	10.5
143.08609	8.1
145.10121	17.1
147.11685	14.9
149.09637	19.7
149.13295	28.0
153.09137	11.1
159.11697	20.8
161.13293	9.7
163.11165	11.8
163.14920	4.9
165.16423	8.5
166.34731	5.5
167.10667	8.4
173.13260	8.2
175.14743	8.5
177.12877	10.9
181.12242	8.0
189.16408	6.2
191.14304	10.1
191.17867	11.7
195.13829	6.2
202.62738	5.5
203.46953	4.6
205.19576	19.4
209.15215	6.7
213.16341	5.7
215.17943	10.8
226.18120	5.2
233.15422	7.9
233.19011	22.1
251.20116	15.9
261.18533	9.7
261.22156	5.5
273.65887	8.3
274.97366	24.1
276.67877	5.6
279.23276	14.7
285.68369	5.2
292.98575	8.5
297.17642	9.4
297.20654	93.4
297.25623	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
55.01866	12.0
55.05509	34.6
56.96569	34.1
57.03432	7.2
57.07066	12.1
59.04946	3.3
67.05505	71.9
69.03423	8.0
69.07069	45.9
71.04988	11.4
79.05494	43.0
81.03419	7.1
81.06567	4.8
81.07058	93.7
83.04987	31.7
83.08604	25.8
85.02916	8.2
85.06519	9.4
91.05475	18.3
93.07040	51.4
95.04965	5.2
95.08604	100.0
97.06525	47.6
97.10155	15.0
98.97562	14.3
99.04449	10.9
100.38070	3.2
105.07027	29.3
107.08594	51.9
109.10155	44.3
111.04449	65.7
111.08054	5.6
111.11746	3.6
112.11229	8.9
116.98608	10.1
117.06990	8.0
119.08567	24.5
121.06458	4.3
121.10136	38.0
121.10932	5.6
123.08059	10.4
123.11714	20.2
125.05991	10.8
125.09647	6.7
129.05499	10.0
129.06998	3.9
131.08563	17.0
133.06502	90.6
133.07506	5.1
133.10085	18.0
134.99648	4.2
135.08046	8.6
135.11714	21.8
137.09566	4.8
137.13240	5.8
139.07524	7.2
139.11148	5.2
142.30693	4.0
145.10114	14.7
147.11707	12.8
149.09596	5.3
149.13264	9.8
151.07410	4.1
153.09105	6.2
155.08450	4.1
157.10184	4.4
159.11713	12.6
161.13261	11.9
165.12755	3.4
167.08450	3.8
167.10725	5.8
171.11719	5.1
173.13316	5.2
175.14812	4.1
181.10045	4.4
181.12288	3.7
183.11713	4.1
185.13129	4.4
189.16481	5.1
199.11133	4.6
201.09097	13.8
201.16385	7.0
209.13338	4.5
213.16351	3.5
221.10805	3.3
223.14890	3.7
223.20557	10.3
225.16492	6.1
226.17924	5.7
243.21057	6.5
251.17850	4.3
251.20064	18.3
256.13824	4.2
256.64233	4.0
261.18451	11.5
261.22162	16.6
265.14441	4.1
274.15152	4.2
274.97583	15.5
279.19583	66.5
279.23184	42.8
292.98441	9.0
297.14777	12.9
297.18195	6.6
297.21588	5.7
297.25485	23.5
299.05704	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	296.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31196	1.9
53.03937	3.2
55.01865	4.4
55.05516	17.6
56.05037	2.0
56.96566	24.4
57.03426	2.9
57.07074	13.6
58.02957	7.5
60.04245	2.7
60.04528	33.9
66.71612	2.2
67.05167	2.8
67.05508	47.5
69.07066	23.6
69.34969	18.6
71.04994	14.2
71.08627	4.5
72.04519	41.4
79.05495	31.6
81.03416	3.1
81.07059	43.1
82.06594	3.1
83.04976	4.2
83.08633	14.0
84.04482	2.2
85.02908	7.3
85.10154	2.0
91.05473	15.9
93.07048	32.5
94.18877	2.1
95.04989	3.5
95.08029	3.9
95.08611	43.5
96.08116	3.1
96.36806	1.9
97.02914	2.3
97.06538	9.9
97.10170	8.5
97.99173	4.1
98.06783	1.9
98.21479	3.7
98.97571	3.1
99.04471	6.5
101.02415	2.6
105.07021	12.2
107.04963	2.1
107.08600	26.1
109.10186	16.2
111.08095	6.2
116.00210	2.2
117.07116	4.4
119.08585	11.9
121.10141	30.0
123.08083	2.6
123.11716	9.7
129.07047	1.9
131.08575	12.5
133.10126	9.7
134.10492	2.9
135.08037	4.6
135.11684	16.8
137.09630	2.5
137.13283	4.3
139.11180	2.8
143.08572	2.4
145.10130	7.7
147.11670	4.3
149.09666	3.7
149.13293	4.3
159.11688	5.9
163.11261	2.6
163.14809	3.0
173.13287	5.6
177.16377	2.4
182.19028	3.3
187.14725	2.4
189.16310	2.5
199.14706	2.4
217.19391	2.8
219.21089	6.6
222.12016	10.1
232.14813	2.8
237.22165	12.1
243.21123	5.7
246.14763	2.0
250.25253	5.4
255.15662	2.1
260.23785	7.5
261.22125	8.5
264.15576	5.9
266.24649	2.6
273.16071	13.7
273.66263	2.9
275.66696	3.3
278.24768	22.6
279.23267	3.3
284.67096	9.2
296.25858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.03949	0.5
53.19778	0.4
55.01863	0.5
55.05508	13.5
57.03441	1.0
57.07079	5.3
59.05008	1.9
62.26678	0.3
66.06915	0.4
67.05157	0.7
67.05504	10.6
69.03439	1.1
69.07066	100.0
70.07392	0.6
70.22616	1.5
71.04996	1.0
71.08634	1.6
79.05493	3.1
81.03424	0.5
81.07056	19.2
82.07413	0.4
83.04977	0.9
83.08614	9.7
85.02916	0.9
85.06557	2.7
85.10188	0.6
87.33243	0.3
91.05490	1.7
93.07041	6.6
93.85969	0.4
95.04967	1.2
95.08607	13.5
97.06540	3.6
97.10181	2.5
99.08095	2.1
101.06052	0.5
105.07034	2.4
107.08595	5.5
109.06525	1.7
109.10154	17.1
111.08093	1.2
111.11717	26.6
113.09618	0.5
119.08566	2.7
121.10143	7.0
123.08074	1.6
123.11708	6.8
125.09632	0.9
127.11204	1.2
129.12758	2.6
133.10138	1.5
135.11681	2.3
137.09627	1.3
137.13246	2.0
139.11174	21.1
141.12755	0.6
145.10255	0.6
147.11713	1.7
149.13266	2.7
151.11253	1.1
151.14853	0.7
153.12750	0.5
155.10585	0.5
157.12236	2.6
159.11761	0.4
161.13295	1.1
163.03929	0.6
163.14856	1.5
165.12766	1.1
165.16432	0.6
167.14336	0.9
175.14877	0.7
177.16370	0.9
179.17900	0.6
189.16377	1.0
191.17923	0.4
193.15926	0.8
203.18019	1.1
207.17426	0.6
212.55142	0.4
219.21088	0.6
221.19096	0.9
259.24280	1.4
277.22061	0.7
277.25314	4.9
295.15399	0.4
295.26370	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	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
53.41612	1.7
55.01862	3.0
55.05515	22.1
56.96582	2.0
57.03428	6.0
57.07074	6.9
65.03912	3.3
67.05509	41.0
69.03429	10.5
69.07072	40.9
71.04999	4.9
71.08650	3.7
71.22374	3.1
73.02921	4.8
79.05495	17.5
81.03426	2.5
81.07061	100.0
83.04977	3.1
83.08622	17.2
85.02898	13.6
85.06541	11.7
87.04475	3.0
91.05473	10.1
93.07050	34.4
95.04955	2.1
95.08610	86.2
97.02887	6.7
97.06537	6.0
97.10176	15.5
98.97595	3.2
99.08083	6.2
105.07035	15.0
107.08601	36.0
109.10158	57.4
111.08064	4.6
111.11699	9.8
113.09646	2.9
115.03931	5.1
119.08590	12.4
121.06617	1.7
121.10153	22.8
123.08072	2.8
123.11709	23.2
125.09673	7.7
127.07580	2.4
127.11192	3.4
129.07024	2.0
131.08575	3.2
133.05014	4.1
133.10117	7.4
135.11705	23.4
137.13272	9.4
139.11165	4.9
143.00237	2.2
143.08513	2.7
145.05045	1.8
147.11710	6.5
149.13254	25.3
151.11206	3.9
151.14874	4.2
157.10138	2.2
159.11780	2.1
161.13332	2.5
163.14812	10.4
165.12782	2.9
175.14792	4.4
176.03354	4.9
177.16382	7.6
185.13283	2.2
189.16393	2.6
195.17535	1.8
203.17926	4.2
220.10495	2.3
249.02841	2.6
259.24222	10.7
277.21994	2.6
277.25195	19.2
295.09634	3.0
295.15298	3.4
295.18890	5.0
295.26340	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	295.238
Annotation	Huperzine L
Peak:m/z	Relative Intensity
51.15871	0.5
53.03936	0.6
55.01828	0.5
55.05508	1.3
57.03419	0.6
58.02955	1.3
58.06589	2.4
64.27621	0.5
67.05495	1.2
69.03420	0.9
69.07060	1.6
69.75167	1.0
69.75582	2.1
70.06584	0.7
71.04987	0.7
73.02926	0.7
77.19156	0.7
79.05489	2.1
81.07051	6.7
82.62140	0.5
84.08144	31.0
85.02889	1.2
85.26482	0.5
86.06067	16.9
91.05471	0.7
93.07047	3.2
95.08607	10.5
96.08122	3.7
97.02883	0.8
97.06509	0.7
98.97582	3.0
105.07023	0.7
106.06566	0.6
107.04932	0.8
107.08591	1.0
109.02849	0.7
109.10160	2.8
111.11757	0.6
112.11246	35.4
115.03913	0.8
116.98587	0.8
121.06513	0.8
121.10147	9.8
123.11729	2.5
124.07594	16.3
137.05972	0.7
137.09634	0.5
139.11171	4.8
150.11732	0.5
150.12743	3.0
152.14343	55.0
154.08614	0.7
158.99643	1.2
161.05951	0.7
168.13843	8.6
172.09633	0.7
177.00697	1.1
196.16957	7.2
207.09894	0.7
219.01802	0.5
221.05991	1.3
224.16457	67.7
225.16776	0.8
249.23267	9.2
267.24316	5.3
277.15424	0.8
295.05984	1.2
295.23801	100.0
296.24109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03931	3.3
54.79813	1.0
55.01866	2.9
55.05262	2.0
55.05508	23.6
56.96558	3.0
57.03424	3.4
57.07066	6.9
59.04997	2.0
60.77525	1.4
65.03927	2.2
67.05504	37.1
68.05756	1.3
69.03416	6.0
69.07068	100.0
69.24911	11.4
71.04990	3.4
71.08624	2.6
73.02899	3.2
79.05489	18.1
81.03419	2.4
81.07056	79.7
83.04955	1.6
83.08197	1.5
83.08621	17.9
85.02894	5.9
85.06544	6.2
87.04466	1.7
91.05477	8.9
91.05967	1.5
93.07044	34.4
95.04975	2.9
95.08606	69.9
97.02874	3.9
97.06532	5.0
97.10165	13.3
98.20697	2.3
98.97563	3.7
99.08067	3.4
105.07027	10.9
107.08602	21.2
109.06516	2.8
109.09450	2.3
109.10154	38.9
111.08041	1.7
111.11719	25.1
115.03925	3.4
115.07442	1.1
119.08585	11.3
121.10143	24.2
123.08059	2.6
123.11713	13.4
124.12171	1.0
125.09633	3.1
127.03928	1.3
127.11178	1.9
129.12709	1.9
133.04950	1.8
133.10130	7.1
135.11707	14.5
137.09656	2.4
137.13211	5.0
139.11185	16.9
145.04964	1.4
145.10088	1.3
147.11676	5.7
149.13260	13.1
151.11287	1.6
151.14775	1.8
157.10077	1.5
157.12195	2.1
157.89708	1.2
161.13225	4.0
163.14867	5.6
165.12708	1.9
167.50095	1.1
175.14819	4.6
177.16307	2.7
179.14290	1.5
189.16336	1.7
203.17870	1.6
249.02707	1.6
259.24191	5.6
265.02463	1.2
277.22028	1.9
277.25262	13.3
286.14417	1.7
295.05978	1.3
295.09589	1.5
295.15216	2.7
295.18878	6.4
295.23236	2.0
295.26379	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03935	4.3
55.01864	10.3
55.05513	50.9
56.96564	21.3
57.03421	8.0
57.07079	14.1
59.04977	3.0
65.03918	5.5
65.36440	2.0
67.05507	100.0
69.03419	6.6
69.06716	3.2
69.07069	56.3
69.51047	8.2
69.51482	10.2
71.04976	7.4
71.08620	9.8
77.03956	2.3
78.02412	2.3
79.05495	54.2
81.03397	9.3
81.07059	91.2
83.04987	23.6
83.08620	29.1
85.06529	8.3
85.10166	3.7
91.05482	39.7
93.07049	66.8
95.04966	16.0
95.08037	4.2
95.08608	58.8
97.06545	18.6
97.10172	21.6
97.95750	2.4
99.08075	6.6
103.52950	2.2
105.07030	29.4
107.08599	38.5
109.06509	8.5
109.10156	37.3
111.08072	7.9
111.11658	3.3
113.09621	3.0
117.06963	4.5
119.08575	26.4
121.10138	37.7
123.08067	6.9
123.11704	12.1
125.09657	12.3
129.07007	5.3
131.08554	9.5
133.06479	4.8
133.10144	18.8
135.07991	3.8
135.11682	24.7
137.09613	10.4
139.11180	17.6
143.08595	5.3
145.10094	8.0
147.11688	17.6
149.09557	4.2
149.13222	11.7
151.11171	10.5
153.09093	3.3
153.12714	2.9
157.10114	4.6
159.11768	4.5
161.09618	3.1
161.13222	10.9
163.11148	5.0
163.14781	6.0
165.12721	8.0
171.11742	5.8
173.13217	3.4
175.11134	4.4
175.14816	9.6
179.14256	2.9
185.13322	3.4
189.11197	6.5
189.12749	3.7
207.13814	3.5
224.15009	3.2
231.21059	8.4
241.19495	6.0
249.22165	6.7
255.15051	6.0
259.20544	9.3
263.14981	2.6
264.15591	5.3
277.21606	73.2
290.85721	2.5
295.22617	56.0
303.86688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03954	21.8
55.01860	6.2
55.05512	31.3
56.96554	5.4
57.03421	4.3
57.07084	10.0
63.57341	1.7
65.03941	2.3
67.05170	3.5
67.05508	61.7
69.03419	3.1
69.06715	2.8
69.07072	48.7
70.19635	4.1
70.20042	8.0
71.04986	6.8
71.08617	7.1
79.05045	2.9
79.05497	41.7
81.03423	84.3
81.07062	69.3
83.04989	17.4
83.08619	13.3
85.06548	4.7
85.10177	5.8
91.05491	26.6
93.06465	2.8
93.07046	45.7
95.04973	47.6
95.08614	32.9
97.06499	5.4
97.10162	8.8
99.08090	7.5
105.07035	30.5
107.04928	3.9
107.08599	37.1
109.06535	9.3
109.10158	24.0
111.08046	4.7
117.07010	6.0
119.08600	19.7
120.60024	1.8
121.06458	2.9
121.10167	16.7
123.08081	3.7
123.11703	8.4
125.09615	8.7
129.06984	2.7
131.08577	5.7
133.10146	22.9
135.08070	6.4
135.11716	11.9
137.09628	2.4
137.13242	3.5
143.08606	3.2
145.10178	3.2
147.08022	2.2
147.11720	16.9
149.09491	2.8
149.13255	9.5
151.11183	62.6
153.09084	5.2
157.10121	6.5
159.11694	3.3
161.13278	12.2
163.14813	7.4
165.12753	14.1
171.11684	7.5
173.13208	3.5
175.14795	9.0
179.14297	7.4
183.09198	2.0
185.13266	4.3
189.12692	4.2
199.14748	4.1
207.13857	4.2
217.19640	3.2
224.15025	2.1
231.21104	13.3
241.19453	6.5
249.22188	5.7
254.14085	2.1
259.20578	7.7
271.67926	5.8
277.21640	100.0
295.23969	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	9.2
55.01860	12.8
55.05518	46.2
55.30323	2.7
56.96558	13.0
57.03431	10.5
57.07076	20.2
58.07393	3.5
59.04994	3.1
65.03911	3.8
67.05507	100.0
69.03416	9.3
69.06710	4.5
69.07072	70.5
69.55519	14.1
69.55940	7.6
70.07407	5.3
71.04986	9.2
71.08628	33.0
79.05499	58.8
81.03405	19.6
81.07058	99.6
81.96704	2.9
83.04989	19.7
83.08627	32.3
85.06548	4.9
91.05482	42.3
93.07051	56.2
95.04974	16.8
95.08041	4.7
95.08611	61.8
97.06541	17.3
97.10167	22.3
99.08096	22.0
99.69339	2.8
105.07023	37.8
107.04939	6.6
107.07930	4.5
107.08598	42.4
109.06484	8.0
109.10156	36.5
111.08095	8.6
111.11699	3.7
112.11320	3.2
113.09672	3.2
115.07541	5.4
117.07008	7.7
119.08586	29.0
121.10158	26.4
123.08052	8.5
123.11684	15.1
125.09663	13.8
129.06981	8.8
131.08557	8.7
133.10144	23.6
135.08031	8.1
135.11710	22.6
137.09587	8.3
139.11176	7.8
143.08571	6.8
145.10112	9.8
147.11682	23.9
149.13248	13.5
151.11188	21.8
153.12732	5.4
157.10153	9.8
159.11694	8.5
161.09686	4.2
161.13237	16.2
163.11185	13.7
163.14799	6.7
165.12730	7.1
169.10062	3.9
171.11667	10.6
173.13239	5.0
175.11288	4.4
175.14784	7.8
179.14294	15.0
181.12291	2.9
183.11707	3.4
185.13237	8.4
189.11227	7.3
189.12715	3.3
193.12183	3.5
197.07214	3.3
198.07651	14.2
199.06953	6.9
199.14854	4.1
207.13747	4.4
226.65341	2.9
231.21054	7.1
241.19360	5.9
249.18414	5.7
249.22038	3.2
259.20538	9.0
272.15378	3.2
277.18307	7.9
277.21655	76.0
295.10327	7.9
295.22623	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	5.8
55.01860	7.9
55.05508	39.0
57.07067	9.3
61.83940	3.5
67.05506	77.9
69.07071	29.5
69.51508	27.5
70.18030	3.7
71.04989	5.1
71.08627	50.0
79.05495	65.5
81.03413	15.8
81.07057	76.5
83.04964	14.9
83.08612	16.9
85.06539	5.9
91.05488	35.6
93.07047	67.9
95.04956	14.8
95.08606	60.8
97.06526	14.5
97.10174	13.0
99.08091	32.4
105.07018	34.4
105.81209	4.3
107.04945	7.5
107.08607	37.8
109.06535	8.2
109.10153	35.1
117.07018	5.9
119.08566	18.2
121.10138	51.3
123.08078	4.9
123.11692	4.7
125.09613	10.3
131.08556	6.0
133.06500	5.8
133.10120	14.0
135.08022	10.8
135.11690	42.9
137.09604	5.3
141.09088	5.6
141.46642	3.7
143.08549	3.8
145.10080	5.8
147.11710	8.4
149.13252	14.7
151.11171	21.3
159.11711	6.2
161.13222	10.6
163.11215	5.5
165.03656	7.7
171.11671	5.3
175.14784	6.5
177.12749	6.1
179.14304	100.0
185.13213	4.0
189.11151	4.7
193.11865	4.1
199.14902	4.3
221.15541	5.0
228.35867	3.5
235.17181	4.3
259.20560	10.4
267.23267	4.8
277.21567	60.7
295.22852	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	295.2267
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03934	4.9
55.01619	3.4
55.01875	46.6
55.05512	54.8
57.03419	6.5
57.07064	11.5
62.32416	2.6
65.03909	5.6
67.05170	4.7
67.05504	74.6
69.03407	6.3
69.06763	3.1
69.07072	34.2
71.04979	5.0
71.08637	38.9
77.31155	2.6
79.05067	3.4
79.05495	50.1
81.03428	14.3
81.07054	73.7
83.04978	18.0
83.08624	32.9
85.06532	6.2
85.10157	10.3
91.05478	36.1
93.07047	46.2
95.04974	17.4
95.08608	48.0
97.06528	22.9
97.10195	15.0
99.08098	32.2
105.07035	32.0
107.04952	6.9
107.08085	3.0
107.08607	36.0
109.06503	9.3
109.10161	21.2
111.08090	44.9
113.09628	15.4
117.07006	6.6
119.08591	28.2
121.06474	3.8
121.10152	22.3
123.08091	6.8
123.11707	12.0
125.09637	13.9
129.06956	5.5
131.08556	10.3
133.10118	30.0
135.08038	4.0
135.11693	24.5
137.09599	6.4
139.11150	8.8
143.08521	5.1
145.10121	9.2
147.11693	25.5
149.09607	8.5
149.13264	17.3
151.11192	27.6
157.10136	5.4
159.11664	6.5
161.13214	14.6
163.11118	10.5
165.12750	26.7
171.11745	3.5
173.13257	7.0
175.11250	7.2
175.14883	7.5
179.14279	13.4
189.11235	3.8
195.13826	3.6
214.41542	3.4
221.15367	4.7
229.61650	3.3
231.21153	4.9
241.19460	6.3
249.22139	7.4
259.20578	16.3
277.21628	100.0
295.19226	5.9
295.22592	43.3
318.18570	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	6.6
55.01873	21.1
55.05507	44.1
57.03442	12.9
57.07064	8.6
59.04979	2.1
63.05475	1.9
64.91658	1.7
65.03941	1.8
67.05504	76.7
69.03419	7.9
69.07067	100.0
71.04992	13.7
71.08630	3.3
71.60725	2.4
71.61108	2.0
73.02917	4.4
73.06535	2.3
73.27871	1.8
79.05491	75.5
81.03407	9.1
81.07057	89.6
83.04984	16.7
83.08628	24.7
85.02907	9.7
85.06528	6.5
91.05474	33.1
93.07044	87.6
94.21877	2.0
95.04960	8.9
95.08604	93.9
97.02901	5.0
97.06519	27.0
97.10172	23.9
99.08096	4.2
105.07024	34.5
107.04952	2.6
107.08592	49.9
109.06513	7.6
109.10160	31.6
110.22456	2.0
111.04443	2.9
111.08098	9.6
111.11707	4.9
113.06013	1.9
115.03914	2.8
117.07010	7.5
119.08579	25.7
121.06541	3.1
121.10146	54.0
123.08070	70.6
123.11694	9.7
125.06012	3.1
125.09644	14.8
127.03909	2.4
129.06996	6.1
130.25377	2.0
131.08582	11.8
133.04944	3.6
133.06516	4.2
133.10112	20.5
135.08067	11.4
135.11688	56.7
137.09607	18.8
139.07559	3.9
139.11180	22.3
143.08562	6.9
145.10088	8.5
147.08054	5.6
147.11693	14.4
147.15674	2.1
149.02380	3.5
149.09569	8.9
149.13245	15.3
151.07542	18.9
151.11166	4.1
153.09056	2.8
153.12747	30.7
157.10114	4.2
159.11687	7.8
161.09616	5.0
161.13246	8.1
163.03825	2.0
163.11266	2.4
163.14815	5.2
165.09030	3.8
165.12726	2.4
167.14291	3.9
169.10127	2.8
169.12259	1.9
169.87108	1.9
171.11690	7.9
173.13264	7.0
175.11209	4.0
175.14815	12.5
179.10678	5.0
179.14316	2.5
181.12242	3.5
183.11710	2.7
185.13252	6.4
187.14743	1.8
189.11235	3.1
191.14174	2.3
193.15891	4.5
203.12798	3.1
207.13890	2.5
221.15318	2.4
231.21127	6.1
241.19466	12.0
249.18639	2.2
249.22176	17.3
259.20575	23.6
277.18286	5.1
277.21613	83.2
295.15207	3.4
295.19525	2.2
295.22565	39.1
300.09763	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	6.4
53.51662	1.8
55.01863	6.1
55.05299	1.8
55.05509	21.6
56.96560	10.7
57.03423	7.6
57.07061	6.1
60.13783	1.8
61.87677	1.8
66.69109	1.8
67.05166	3.9
67.05505	67.8
69.06774	2.0
69.07068	26.0
69.42142	18.6
70.22373	1.9
71.04984	11.9
71.08616	6.4
79.05487	35.1
80.77843	1.8
81.03394	6.9
81.07053	100.0
82.75593	1.9
83.04967	8.5
83.08614	20.5
85.02923	2.6
85.06557	12.3
91.05479	22.3
93.07041	39.8
95.04956	13.7
95.08608	89.6
97.06532	5.5
97.10167	9.7
98.21545	4.1
99.08068	5.1
105.07038	19.5
107.08597	28.9
109.06487	3.9
109.10152	43.5
111.04416	3.4
111.08071	4.6
111.11713	3.0
116.11849	2.0
117.06982	5.7
119.08568	14.3
121.10138	26.3
123.08043	5.8
123.11689	14.4
125.09588	4.2
131.08553	7.7
133.00642	2.0
133.06502	3.1
133.10127	17.5
135.11676	26.7
137.09589	5.5
137.13245	4.1
139.11177	2.8
140.72784	2.2
143.08539	5.9
145.10100	7.8
146.32474	2.2
147.11647	9.1
149.13234	16.8
157.10124	4.4
159.11700	4.8
161.13217	9.6
163.11192	3.1
163.14778	2.3
169.10181	3.1
171.11658	4.6
173.13173	3.2
175.14838	8.9
177.16304	2.4
185.13258	4.0
187.14774	2.2
199.14862	3.5
217.19557	3.0
231.21042	8.1
241.19385	2.7
249.22028	14.6
253.67831	4.1
259.20520	6.6
260.17194	2.9
265.18631	2.5
267.23178	41.9
277.21616	26.7
295.22562	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	4.5
55.05490	3.8
56.96550	5.4
57.03437	53.5
58.00629	1.5
59.04989	1.6
61.02677	1.3
61.02924	14.5
67.05491	4.1
69.03429	68.2
69.07059	2.6
70.42733	1.3
71.01362	9.6
71.04979	3.7
71.61338	1.7
73.02917	100.0
76.59578	1.6
79.05481	3.2
81.03416	7.7
81.07045	4.9
84.96041	1.7
85.02903	87.5
86.09725	1.5
87.04471	7.9
91.03932	2.5
91.05497	6.4
93.07035	3.4
95.04954	5.7
95.08604	4.1
96.04477	2.2
97.02894	71.5
98.06048	4.6
98.97589	10.0
99.04445	5.2
101.02332	1.5
102.96861	1.5
103.03931	2.8
105.03403	1.4
105.07013	4.9
107.04935	2.7
109.02881	8.6
109.06450	1.8
110.06049	2.4
110.97568	2.0
111.04427	1.2
111.08066	1.7
111.11752	1.3
114.96812	1.5
115.03934	65.5
116.98631	8.4
119.08584	2.2
120.08065	5.5
121.02892	2.4
121.06485	1.4
121.10137	2.5
122.06000	3.1
123.04414	3.7
123.06812	2.3
123.11711	1.6
123.56766	1.3
124.07610	9.9
124.99010	1.5
126.09142	16.3
127.03915	18.5
128.98573	4.9
131.04968	1.3
131.08563	1.7
132.97864	1.9
133.04951	19.4
133.10091	2.3
134.99603	2.8
136.07542	3.5
138.08115	2.5
138.09143	42.2
139.06328	1.6
140.07056	13.9
143.00156	4.0
145.04951	17.2
145.10185	1.3
146.99634	1.7
149.05978	2.1
151.03874	2.0
152.07089	12.3
158.08089	4.0
158.99580	2.0
161.01225	2.2
162.10150	1.6
163.06015	3.0
165.06972	4.6
170.08133	1.7
173.02469	1.9
177.00645	1.5
177.05508	1.5
181.04974	3.2
181.06424	1.8
193.00075	2.8
193.06480	2.0
214.08795	1.3
214.11946	1.7
221.06017	10.3
223.05960	1.5
237.02859	1.7
241.03819	2.4
241.07016	4.2
242.11806	1.6
249.02937	2.1
249.05434	6.3
256.24158	1.3
259.14404	17.0
267.06454	1.6
271.09406	1.8
272.10431	2.4
273.11203	2.3
277.04810	1.6
277.11972	1.9
277.15439	3.5
277.76077	1.4
295.05777	14.2
295.11395	2.3
295.16061	2.7
295.23215	1.9
296.15857	2.0
313.05777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03942	2.3
55.01871	17.4
55.05518	7.6
55.09382	1.7
56.96523	1.6
57.03439	37.1
57.07076	2.2
59.04992	2.4
61.02926	13.4
67.05506	6.0
69.03429	39.6
69.07064	15.6
71.01352	8.8
71.04988	3.4
71.08611	1.6
71.61427	1.6
73.02916	47.3
79.05484	4.3
80.38423	1.5
81.03407	6.5
81.07057	19.1
83.04997	2.0
83.08601	2.8
85.02904	100.0
85.06534	2.4
87.04449	7.2
91.03979	3.3
91.05488	3.0
93.07048	7.5
95.04923	1.7
95.08602	9.5
97.02893	46.7
97.06510	2.2
97.10191	2.1
99.04446	5.3
99.08130	2.2
102.96859	4.2
103.03939	4.6
107.08585	5.5
109.02892	9.4
109.10183	8.0
111.11758	2.5
114.96880	2.3
115.03936	26.3
119.05527	1.6
119.08556	4.7
121.10151	7.1
123.11729	5.2
127.03918	18.7
132.97911	2.3
133.04968	46.0
133.10141	1.8
135.11674	3.2
137.13258	2.9
139.11188	3.5
145.04961	23.6
149.13278	2.7
158.77686	1.5
163.03970	2.2
163.06052	4.4
175.14783	2.2
199.06062	1.8
223.05959	2.5
225.16603	1.6
253.02055	2.8
275.79797	1.8
277.21896	2.1
295.26556	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	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03148	0.3
55.05505	0.5
57.07061	1.0
67.05497	0.6
70.20956	0.4
70.21299	0.9
71.08614	1.1
71.26038	0.3
79.05469	1.1
80.05840	0.3
81.07035	1.6
82.07407	0.3
91.05463	0.7
93.07079	0.3
94.04177	2.3
97.10138	0.3
107.04974	0.5
107.08573	0.4
109.06504	0.5
122.03648	7.5
134.33627	0.3
137.05977	100.0
138.06288	0.4
140.72383	0.3
141.12755	2.3
158.15407	1.5
170.15379	0.7
250.01555	0.3
262.13901	0.3
276.20441	0.8
294.20639	0.4
306.65247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03952	0.2
54.06493	0.3
55.01863	0.3
57.07069	0.7
65.03925	0.3
65.63724	0.3
67.05499	0.8
69.80462	1.4
70.49917	0.2
71.08650	0.3
74.11260	0.3
79.05493	0.9
81.07051	1.8
89.66334	0.3
91.05489	0.7
93.07045	0.4
94.04199	2.6
95.04917	0.5
95.08633	0.4
97.10158	0.3
97.28961	0.2
97.47631	0.3
105.07002	0.3
107.04972	0.4
107.08552	0.3
108.08955	0.3
109.06493	0.6
110.06895	0.2
117.07030	0.3
120.08904	0.3
122.03649	6.9
123.11689	1.9
137.05978	100.0
138.06345	0.3
158.15399	1.3
170.15427	1.9
209.51814	0.3
238.11714	0.4
276.20377	0.7
294.21048	0.8
308.10135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66947	3.2
51.79761	2.8
55.01864	6.0
55.05502	12.1
55.93533	4.0
56.96567	24.6
57.03428	15.2
60.04512	3.0
61.02927	17.7
67.05505	4.1
69.03436	38.6
69.07058	3.9
70.06596	4.5
71.05008	5.0
71.60402	4.2
72.04504	14.4
72.08164	15.6
73.02921	29.9
73.06546	13.2
81.03416	10.4
81.07022	3.2
83.05003	5.3
84.04493	9.8
84.08141	15.8
84.96017	3.3
85.02420	5.1
85.02911	87.6
86.09693	9.7
87.04475	5.9
88.03989	10.4
89.03905	4.2
90.09190	14.7
90.94801	3.4
91.03980	4.9
97.02902	42.8
98.96999	5.8
98.97588	54.1
99.04451	10.5
109.02872	13.3
110.06053	4.6
110.97588	8.0
111.04507	3.9
114.05510	8.6
114.09169	48.4
115.03907	3.8
115.05853	3.6
116.98637	21.5
117.03352	4.9
119.01858	10.0
120.08135	24.3
124.99054	3.1
127.03960	17.5
128.02354	3.5
128.98624	11.6
130.05031	10.2
131.00192	7.2
131.01976	4.6
131.96120	4.1
132.10211	100.0
132.95830	5.3
134.99677	4.3
136.07524	3.4
136.93079	3.1
143.00182	6.1
143.01872	7.9
144.10294	6.3
144.95851	7.5
145.01723	5.0
145.03416	4.5
145.04932	12.2
146.99683	8.7
147.03200	7.1
147.07635	8.0
154.94019	3.4
155.04649	20.9
158.99637	19.1
161.01189	7.0
161.02986	6.2
161.04810	4.1
161.07101	10.4
162.03255	4.1
162.07419	12.2
162.96938	3.7
162.99205	3.9
163.03902	14.7
164.05196	3.9
168.05470	19.1
169.04410	5.9
171.04214	3.6
173.04770	3.2
173.97260	4.4
174.96822	5.2
175.02748	3.3
177.00696	13.6
177.04538	3.2
177.05927	19.8
182.03400	4.0
189.00827	4.3
189.04320	4.2
191.05865	3.5
201.00706	3.6
204.06277	3.4
205.05501	8.1
206.06184	3.2
213.03415	3.9
213.06972	6.9
213.08774	4.3
219.01776	11.2
221.05080	4.3
222.05409	5.5
227.06776	8.7
230.13907	5.2
234.99165	3.5
237.02821	18.1
250.05479	5.8
258.13351	11.7
275.09348	3.3
275.99213	4.8
276.09955	6.0
276.14706	16.8
291.07458	11.8
293.10861	5.2
294.11633	20.3
309.08618	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03934	1.9
53.47773	1.2
55.01873	2.7
55.05261	1.8
55.05508	31.0
57.03418	5.5
57.07078	19.5
59.04966	2.4
65.03941	1.3
67.05160	2.3
67.05500	34.8
69.03405	3.8
69.07069	50.5
69.54916	5.2
69.55334	3.7
71.01330	1.5
71.04990	16.4
71.08627	10.0
75.04466	3.9
76.70461	1.3
79.05487	17.6
81.07055	100.0
83.04990	10.8
83.08617	33.6
84.18810	1.6
85.02421	2.2
85.02901	31.0
85.06529	10.0
85.10173	3.8
91.05500	8.2
93.07043	30.2
95.04952	5.5
95.08605	82.0
97.06503	4.9
97.10160	17.2
98.20724	2.2
99.04467	1.4
99.08081	7.8
99.96877	1.4
102.36633	1.5
105.07037	9.1
107.08593	39.4
109.06474	3.0
109.10156	52.5
111.04453	8.3
111.08075	9.9
111.11723	9.0
113.09617	3.4
119.08575	5.4
121.06468	1.6
121.10146	16.7
123.08029	2.3
123.11702	37.3
125.09610	4.9
125.13300	4.9
127.11172	1.6
129.05482	7.5
130.90054	1.4
131.08534	3.3
133.10103	3.4
135.11693	11.6
137.13248	23.6
145.10059	1.9
147.06491	3.1
147.11656	2.5
149.09573	3.3
149.13248	28.3
151.14822	8.5
153.05423	4.5
153.12732	3.0
155.14336	1.4
163.14841	8.8
165.09081	1.9
165.16423	2.8
167.14287	8.1
171.06505	2.0
177.16388	3.8
179.17871	2.1
205.19505	2.0
236.38618	1.5
239.09200	2.1
239.17184	1.4
247.20564	1.7
257.18942	2.4
275.20084	15.9
275.27304	7.9
293.17053	2.6
293.21048	4.0
293.28363	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	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
53.63855	1.1
55.01889	1.5
55.05512	20.4
55.58889	1.0
57.03421	2.9
57.07078	7.8
67.05165	1.7
67.05508	31.4
69.03422	3.1
69.07072	31.8
71.05004	6.6
71.08624	3.5
71.62296	1.9
71.71113	1.1
79.05497	11.6
81.07060	100.0
83.04978	4.7
83.08630	17.1
83.30372	1.2
85.02906	14.5
85.06538	7.9
85.10201	2.2
91.05491	4.6
93.07059	11.8
95.04977	2.9
95.08611	69.9
97.06532	3.6
97.10180	12.5
98.97568	1.7
99.08087	6.2
105.07041	4.4
107.04950	1.5
107.08597	13.5
109.10162	40.0
109.10910	2.1
111.04436	2.8
111.08031	2.1
111.11744	6.1
113.09628	2.5
119.08606	2.6
121.06370	1.4
121.10158	10.2
123.08068	1.7
123.11719	21.5
125.09595	1.8
125.13270	2.5
129.05461	2.5
131.08575	1.8
133.10083	1.8
135.11717	5.9
137.13246	7.9
147.06516	2.3
149.09575	1.9
149.13263	8.9
151.14828	6.0
153.05429	2.0
155.08600	1.2
157.10069	1.2
161.13312	1.1
163.14801	4.1
165.16394	3.4
169.10199	1.3
171.06572	1.2
173.13156	1.3
177.16400	1.9
179.18030	1.3
191.18002	1.5
194.56693	1.2
239.09039	1.4
249.25803	1.3
275.17307	1.2
275.20187	5.2
275.27341	4.4
293.17480	2.5
293.22510	4.0
293.28366	22.9
307.95148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.39174	1.0
53.03933	3.1
55.01865	1.5
55.05512	33.4
56.96551	2.8
57.03435	2.6
57.06810	1.3
57.07075	16.8
63.49655	0.8
65.03922	1.4
67.05503	39.4
69.03406	3.0
69.07069	57.8
69.08506	0.9
69.43605	3.9
69.44033	3.2
71.04991	6.0
71.08629	6.0
79.05054	1.2
79.05494	19.7
79.14395	0.9
81.07056	100.0
82.07378	0.9
83.04971	3.0
83.08132	1.3
83.08620	28.4
85.02890	4.0
85.06541	28.7
85.10177	1.5
91.05475	12.8
93.07043	25.7
95.04967	2.3
95.08607	86.9
97.06533	6.3
97.10167	14.7
98.97571	4.5
99.04470	1.0
99.08091	9.6
101.06086	1.1
105.07027	7.6
107.08587	22.0
109.06526	2.2
109.10156	54.4
111.04432	1.3
111.08098	5.0
111.11712	8.4
113.09657	2.6
116.98602	1.3
117.07008	2.6
119.08562	6.6
121.10136	16.1
123.08065	2.0
123.11704	27.1
125.09607	4.6
125.13245	2.6
129.05443	1.6
129.06999	1.5
131.08585	4.5
133.10124	8.0
135.08052	2.7
135.11722	10.0
137.09612	1.8
137.13239	12.9
139.11168	2.0
142.07784	1.2
143.08582	1.4
145.10112	4.5
147.11705	7.5
149.09541	2.3
149.13260	12.1
151.14822	7.3
153.12726	1.0
157.10098	3.4
159.11702	3.8
161.09497	1.2
161.13226	1.7
163.11140	1.4
163.14787	6.7
165.09081	1.0
165.16405	5.0
167.14304	2.5
169.10152	1.0
171.11708	2.9
173.13254	3.2
175.11221	1.6
177.12721	1.3
177.16389	2.7
179.10672	1.2
179.17943	2.0
183.11665	1.9
191.17882	1.7
193.10045	0.9
193.12135	1.6
195.17415	1.6
197.08549	0.9
205.19475	2.4
215.17804	1.0
219.21046	2.7
229.15866	1.0
233.18939	1.9
237.02943	1.1
239.17960	2.6
247.20662	1.1
257.18970	2.7
275.16992	1.5
275.20114	9.9
275.27295	6.2
293.13589	2.8
293.17300	5.7
293.21143	5.3
293.28348	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	15.7
53.99808	2.7
55.01868	12.3
55.05510	31.5
56.96555	6.4
57.07060	10.1
61.41322	2.4
65.03949	2.6
66.50806	2.5
67.05167	4.7
67.05505	71.1
69.03423	2.8
69.07069	41.8
69.62888	18.0
71.04992	5.2
71.08629	5.4
79.05488	37.2
81.03409	29.0
81.07055	100.0
83.04971	10.9
83.08624	19.4
91.05473	37.0
93.07047	41.6
95.01328	7.5
95.04980	17.6
95.08607	76.2
97.06541	21.0
97.10141	9.1
98.97604	4.0
99.08103	4.5
105.07038	54.2
107.04947	21.7
107.08597	30.9
109.06500	8.3
109.10139	21.2
111.04464	4.0
111.08080	5.3
117.06987	13.0
119.08572	27.2
121.06516	4.7
121.10126	17.1
123.08056	10.3
123.11664	7.2
125.09608	7.2
131.08545	18.9
133.10115	33.7
135.08043	6.8
135.11693	15.9
137.09619	7.6
137.13208	6.1
138.74983	3.0
139.59076	3.2
143.08582	4.2
145.06470	4.3
145.10072	15.6
147.11691	14.4
149.01199	3.4
149.09615	9.0
149.13258	8.1
151.11118	4.4
153.05367	2.9
157.10008	3.5
159.08081	3.0
159.11707	10.4
161.13249	7.2
162.44380	3.1
163.11160	3.8
163.14865	3.7
168.68672	2.6
169.10138	4.1
171.11687	4.4
173.13313	4.4
177.12683	5.4
179.14268	9.4
181.04968	4.3
181.12181	3.0
187.11176	4.9
191.10629	3.3
195.13718	3.0
209.11778	6.3
218.17778	3.3
219.13467	2.9
223.13245	4.7
237.11162	14.5
243.21049	4.1
247.20323	3.3
248.04529	2.8
257.19031	5.3
261.22153	3.7
275.20050	45.5
293.05548	5.5
293.21100	31.3
293.24716	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	293.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05509	0.6
56.05014	0.4
56.96565	1.0
57.03449	0.4
58.06599	3.6
59.83873	0.4
62.30820	0.4
67.05496	2.9
69.03432	0.9
69.07066	3.4
69.35030	1.7
69.35447	2.3
73.02917	1.0
77.43230	0.4
79.05480	1.2
81.07056	3.6
84.04503	11.2
85.02898	1.1
91.05486	0.8
93.07059	2.4
95.04958	0.5
95.08601	4.1
97.02858	0.7
97.06541	0.7
98.97583	4.3
105.07027	1.1
107.08611	1.6
109.10149	2.8
110.97576	2.0
111.08131	0.6
112.03968	22.0
112.07605	5.7
116.98623	1.1
119.08581	1.9
121.06493	0.4
121.10149	1.5
123.04372	0.5
123.08089	1.0
123.11700	0.9
128.98590	1.2
130.05025	1.4
131.08527	0.9
133.10164	0.5
135.11696	1.7
135.13768	0.5
137.09644	1.3
139.11154	1.0
140.07063	81.6
145.10175	0.4
147.11687	0.6
158.99698	1.8
170.99753	0.8
176.03348	3.7
176.53427	0.7
177.00696	0.5
185.03912	1.8
206.08829	0.8
231.01823	1.1
249.02771	2.4
272.10889	4.9
272.61136	2.1
275.19910	0.7
291.03906	1.5
293.22223	100.0
294.22467	0.8
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
53.03938	5.8
55.01876	11.7
55.05255	3.7
55.05511	64.4
56.96563	5.8
57.03429	5.3
57.07074	5.4
65.03951	4.1
67.05158	3.9
67.05505	61.6
69.03429	6.8
69.07068	34.2
70.20598	6.2
70.67016	1.7
71.04999	6.4
72.15866	1.8
77.03934	2.7
79.05492	65.7
81.03417	8.1
81.07060	62.0
83.04978	10.5
83.08617	30.6
85.06551	2.4
88.35777	2.1
89.27479	1.8
91.05483	42.3
93.03890	1.6
93.07047	49.4
93.07618	3.5
94.99089	2.1
95.04966	28.8
95.08609	41.8
97.06519	11.8
97.10181	27.0
99.04485	2.0
101.06043	2.8
104.43414	1.8
105.07034	44.4
107.04959	8.7
107.07860	4.5
107.08594	90.7
109.06523	9.1
109.10155	26.3
111.08129	4.8
116.84005	1.8
117.07031	7.7
119.08579	32.1
121.06519	6.1
121.10151	25.2
123.08070	7.3
123.11696	7.0
125.09620	21.4
131.08575	16.5
133.10124	28.3
135.08055	10.5
135.11693	8.3
137.06038	2.7
137.09607	18.3
139.11182	9.1
143.08597	2.8
145.10112	19.1
147.11699	15.0
149.09610	23.3
149.13271	4.1
151.11209	4.2
153.09146	3.1
155.08536	2.2
157.10214	3.1
159.11646	9.6
161.13298	6.0
163.11229	9.6
163.14883	2.3
169.10159	2.7
171.10161	3.6
171.11661	3.3
173.11852	2.6
173.13275	5.6
175.11182	3.4
177.12723	4.3
181.12247	2.7
182.02417	2.2
183.11674	4.7
187.11151	3.5
189.11273	18.7
197.13274	4.5
203.12766	4.2
223.13322	6.2
229.19498	3.7
237.26259	1.9
239.17987	7.3
247.20569	4.9
257.18967	15.1
260.63458	2.3
275.20059	100.0
281.17578	1.9
293.10513	3.0
293.17834	2.8
293.21021	57.9
311.11795	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	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.11057	1.1
53.03930	2.6
54.68980	1.2
55.01864	5.6
55.05253	1.8
55.05512	27.3
57.03432	2.4
57.07079	15.6
67.05505	50.6
69.03420	3.6
69.07066	47.4
69.35180	5.5
69.35608	5.9
71.04984	10.9
71.08618	5.2
79.05489	32.0
81.07056	100.0
83.04971	4.8
83.08122	2.2
83.08613	26.9
85.02916	6.1
85.06059	2.3
85.06544	29.5
85.10168	2.2
87.04459	3.2
91.05480	27.6
93.07047	40.5
95.04967	4.5
95.08607	76.4
97.06522	7.5
97.10175	13.9
98.97583	2.3
99.08107	9.0
100.11324	1.3
103.05464	1.5
105.07030	23.0
107.04931	2.1
107.08595	29.0
109.06513	3.3
109.10155	46.2
111.04433	2.1
111.08093	5.1
111.11716	6.6
113.09667	3.3
117.07013	7.6
119.08575	19.3
121.06472	2.2
121.10143	25.2
123.04472	2.0
123.08094	2.0
123.10824	1.3
123.11707	23.4
125.06026	2.0
125.09628	5.6
125.13263	2.1
129.05492	2.1
129.07007	4.4
131.08571	13.9
132.69107	1.3
133.10123	17.8
135.08060	5.2
135.11681	12.1
137.05977	1.6
137.09647	2.6
137.13248	10.6
139.07477	1.4
139.11142	2.2
139.14803	2.0
143.08583	4.1
145.10110	10.8
147.06599	1.3
147.08018	3.1
147.11679	14.0
149.05946	2.5
149.09599	5.2
149.13263	13.0
151.14847	6.2
153.09079	2.5
155.08546	1.7
157.10156	7.9
159.11667	8.9
161.09576	3.1
161.13329	7.2
163.11195	2.0
163.14784	4.6
165.16342	1.6
167.10735	2.4
167.14273	2.0
169.10094	3.3
170.54134	1.3
171.11673	7.1
173.13254	5.9
175.11179	3.4
175.14883	1.6
176.03340	1.6
177.16345	2.0
179.10657	3.8
179.17909	1.9
183.11743	7.1
187.11182	2.4
189.12689	2.7
191.17969	2.0
193.12195	2.4
197.13351	2.4
201.12701	2.7
205.12134	2.2
207.13727	3.1
211.14696	1.6
213.16428	1.7
215.18011	2.8
219.21060	1.5
229.15793	2.1
229.19528	1.4
233.18976	6.6
239.17917	8.9
247.16852	1.3
247.20427	2.1
247.43060	1.3
257.18997	8.5
275.16556	4.7
275.20041	29.5
275.27408	3.1
293.17889	1.7
293.21078	14.2
293.28333	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	4.0
55.01875	10.5
55.05258	1.7
55.05513	32.4
56.96570	2.8
57.03432	5.0
57.07072	14.1
59.04972	1.1
60.03232	1.0
65.03941	3.0
67.05507	55.3
69.03429	4.3
69.07070	47.1
69.07423	0.9
69.20094	1.2
70.31755	4.1
71.04998	10.3
71.08630	5.7
73.02925	2.1
73.46387	1.1
75.04491	1.8
79.05495	44.2
80.32708	1.2
81.03414	5.5
81.07058	100.0
83.04982	9.9
83.08619	29.8
85.02907	14.6
85.06541	11.5
85.10165	2.4
87.04475	1.7
91.05480	26.1
93.07045	46.4
95.04951	11.6
95.08609	67.8
97.02876	1.3
97.06538	15.1
97.10168	17.9
98.97581	3.1
99.08086	9.4
105.04628	1.2
105.07031	30.1
107.04963	8.4
107.08597	45.7
109.06525	14.1
109.10159	42.6
111.04436	4.0
111.08105	5.7
111.11707	6.3
113.09685	1.8
115.05431	1.6
116.98602	1.8
117.07008	7.2
119.08578	22.3
121.06477	5.6
121.10143	24.9
123.08075	6.4
123.11711	20.2
125.09621	8.8
129.05487	4.3
129.07028	3.4
131.04965	1.0
131.08560	14.3
133.10138	18.3
135.08081	7.0
135.11697	14.4
137.06017	1.1
137.09642	5.7
137.13249	6.8
139.11197	2.4
141.07005	1.2
143.08583	3.3
145.10135	9.5
147.06561	1.9
147.08072	2.2
147.11705	13.0
149.09615	12.8
149.13261	16.6
151.11188	5.9
151.14844	3.3
153.05446	2.0
153.12698	1.5
155.08539	1.5
157.10135	5.5
159.11710	8.6
161.09651	2.2
161.13268	6.1
163.11191	9.0
163.14780	6.2
165.09123	3.7
165.12689	2.5
165.16409	1.5
167.14293	1.2
169.10162	3.2
171.06532	1.5
171.11705	3.0
173.09749	1.6
173.13283	4.8
175.11229	2.9
175.14825	1.8
177.12820	3.2
177.16382	1.8
179.14432	1.6
179.17960	2.0
183.11736	1.9
185.13217	1.2
187.11241	2.7
189.11218	5.0
189.12694	1.2
191.14362	1.3
191.17990	2.2
197.13319	2.4
199.14934	2.1
205.19469	2.8
215.06621	1.6
215.17975	1.7
219.21246	1.4
223.13162	1.4
229.19508	5.7
239.18019	6.5
247.20494	5.4
254.36525	1.3
257.19040	13.7
275.20068	69.4
275.27310	4.0
291.55817	1.2
293.17621	2.4
293.20993	21.3
293.28339	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	7.4
55.01875	22.6
55.05512	28.8
56.96548	4.2
57.03432	5.9
57.07080	17.0
59.46515	2.7
62.34561	2.4
67.05508	45.0
69.03455	2.7
69.07079	23.4
69.48066	21.9
69.57757	2.7
70.63966	2.8
71.04990	10.4
71.24477	2.4
79.05492	48.1
81.03400	4.8
81.07059	49.1
83.05000	15.1
83.08605	13.5
85.02917	18.0
85.06536	4.4
87.34554	2.8
88.92611	2.7
91.05476	42.0
93.07046	42.0
94.26354	2.5
95.04987	20.0
95.08604	25.9
97.06532	34.6
97.10149	16.9
105.07024	43.8
107.04955	18.3
107.08589	83.0
109.02869	3.3
109.06484	9.0
109.10136	18.1
111.04432	13.0
111.08095	5.8
113.88982	2.4
117.07009	8.2
119.08587	23.7
121.06513	5.9
121.10162	22.6
122.03606	3.2
123.08044	9.3
123.11658	4.0
125.09631	14.1
129.05452	4.3
129.06996	4.4
131.08577	16.2
131.54765	3.1
132.80875	2.8
133.10124	20.6
135.04320	2.9
135.08070	8.7
135.11703	11.5
137.05983	58.2
137.09612	7.5
143.08546	4.8
145.10101	24.0
147.11673	17.3
149.09584	26.8
149.13217	5.7
151.11160	8.3
152.09378	2.7
153.05467	10.0
153.09074	3.3
159.11702	14.1
161.09573	3.3
161.13254	4.0
163.11214	8.9
165.09079	5.3
171.11684	6.3
173.13271	5.4
181.05032	9.0
183.11653	3.4
187.11263	3.3
189.11194	15.4
191.10683	8.2
195.10107	3.6
209.11745	17.1
213.07719	2.8
219.10208	4.0
229.19550	5.6
237.11215	29.4
239.17853	7.6
247.20566	11.1
257.19022	13.6
275.20056	100.0
275.23099	4.8
276.20367	3.1
293.17905	4.0
293.21008	33.5
304.07684	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	4.8
55.01876	15.8
55.05264	2.0
55.05512	33.0
56.96573	2.0
57.03424	5.9
57.07071	3.4
57.76286	1.5
57.92086	1.6
65.03928	1.8
65.11350	1.6
65.50877	1.5
67.05504	31.4
67.06087	1.6
69.03430	3.7
69.07073	22.3
70.73100	3.8
71.04984	6.7
73.94048	1.5
79.05495	61.5
81.03425	9.1
81.07056	35.8
83.04976	11.7
83.08618	17.9
85.02908	15.3
85.06541	2.8
91.04955	2.6
91.05482	33.0
93.07052	28.7
95.04977	9.2
95.08609	21.5
97.06536	17.5
97.10176	22.5
98.97580	2.7
105.07040	36.0
107.04980	13.1
107.08598	100.0
109.06505	7.9
109.10153	11.1
111.04453	3.9
111.08048	2.7
115.05444	1.7
117.07012	10.4
118.95303	1.6
119.08584	19.2
121.06486	3.5
121.10146	12.9
123.08046	5.4
123.11653	2.7
125.09622	16.8
129.05481	4.0
131.08556	11.6
131.29333	1.7
133.10129	24.1
135.04364	2.0
135.08043	5.0
135.11674	8.0
137.09645	2.9
143.08524	3.2
145.10129	16.0
147.08167	1.9
147.11690	14.6
149.09634	21.3
149.13194	3.8
151.11174	6.2
153.05453	2.1
155.08469	1.8
156.72023	1.7
157.10043	3.5
159.11653	8.7
161.09578	2.5
161.13248	5.4
163.11163	5.2
165.09081	6.1
169.10048	3.1
171.10248	2.1
171.11694	4.7
173.13235	5.0
177.12791	3.6
181.12300	2.2
183.11703	3.5
185.13229	1.9
187.11203	4.9
189.11253	13.7
197.13229	2.7
215.17899	1.9
229.19496	4.0
233.19185	1.6
239.17967	5.3
247.20535	5.7
257.19006	13.7
275.20074	99.1
276.20328	2.2
293.17529	2.8
293.21036	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	7.4
55.01873	10.1
55.05515	60.6
58.73772	3.4
67.05517	40.7
69.07070	13.0
69.54897	26.6
71.05006	5.1
79.05492	97.4
81.07059	32.5
83.04979	14.4
83.08627	26.3
91.05489	33.7
93.07048	42.0
93.33154	3.3
95.04961	5.7
95.08606	14.5
97.06526	3.9
97.10168	38.7
98.20638	5.5
101.33130	3.2
105.07056	37.0
107.04956	50.3
107.08604	62.5
109.10184	18.8
111.08115	4.9
117.07014	12.8
119.08569	22.4
121.10166	20.0
123.11728	7.5
125.09650	26.8
131.08562	13.6
131.09494	3.7
133.10112	22.9
135.08054	7.9
135.11650	4.1
145.10136	9.7
147.11690	15.5
149.09622	88.4
149.10724	6.7
153.09082	6.6
159.11729	7.1
161.13295	7.2
165.09158	4.8
169.12292	9.4
171.10229	6.4
171.11752	4.1
173.11816	5.0
173.13289	7.7
187.11206	4.4
187.13249	5.6
189.11223	28.8
209.15271	4.3
217.32764	3.7
229.19495	8.0
247.20555	4.0
257.18988	21.7
275.20081	100.0
293.21078	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.06687	1.4
53.03936	3.3
55.01871	12.5
55.05514	33.4
56.96547	2.3
57.03431	6.9
57.07061	5.3
59.04982	1.7
65.03944	3.0
66.75170	1.3
67.05175	2.6
67.05507	45.7
69.03415	5.9
69.06712	2.3
69.07065	32.9
71.01346	2.7
71.04993	15.0
71.08619	1.8
71.60979	2.3
73.02917	2.6
75.04472	3.9
79.05054	2.4
79.05497	45.8
81.03420	7.8
81.07059	61.0
83.04976	16.4
83.08617	20.2
85.02419	2.3
85.02905	41.5
85.06531	4.4
91.05486	31.1
93.07045	31.6
95.04971	14.8
95.08607	45.3
97.06534	20.0
97.10175	13.6
98.97562	2.9
99.04387	1.5
99.08047	2.1
105.06384	1.8
105.07037	31.9
107.04961	8.9
107.08597	61.3
109.02848	2.9
109.06499	10.3
109.10154	20.8
111.04454	8.5
111.08075	4.9
111.11735	1.6
113.06034	1.7
117.07021	8.3
119.06068	1.6
119.08589	20.8
121.06499	4.2
121.10153	15.5
123.08086	7.1
123.11697	12.7
125.06004	2.2
125.09645	10.8
127.11234	1.5
129.05482	10.8
129.06981	2.6
131.08577	13.0
133.06520	2.8
133.10126	21.4
135.08040	5.8
135.11693	9.9
137.09618	6.2
137.13228	4.4
141.06990	2.1
141.51292	1.4
143.08559	3.4
145.06424	2.7
145.10114	13.8
147.06508	2.1
147.11687	12.4
149.09627	18.1
149.13239	7.3
151.07535	2.1
151.11198	7.0
153.05475	3.9
155.08556	3.1
157.10127	3.6
159.11668	11.0
161.09625	2.9
161.13249	6.0
163.11128	7.0
163.14815	2.3
165.09116	6.9
165.16457	1.8
167.10727	1.5
169.10112	2.1
171.06546	3.5
171.11653	5.0
173.09537	1.6
173.13255	6.2
175.11232	1.9
175.14813	1.5
177.12781	3.1
177.16472	1.8
179.14340	2.4
181.12309	2.0
183.11699	2.4
187.11179	2.7
187.14743	3.4
189.11185	4.4
189.12732	1.4
197.13287	2.3
219.13676	2.1
229.19524	5.2
239.09196	4.0
239.17973	4.4
247.16985	2.1
247.20587	8.0
257.19000	9.8
275.16824	4.1
275.20065	100.0
293.17264	15.2
293.21094	23.7
293.28271	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02361	1.7
53.03938	3.2
55.01857	3.9
55.05505	15.6
56.96561	3.4
57.03407	2.5
57.07065	4.0
67.05511	33.0
69.07072	23.7
69.52480	8.1
69.52886	2.6
71.04971	2.7
79.05500	21.3
81.07057	38.7
83.04967	7.1
83.08610	7.3
85.02869	2.0
85.06519	2.4
90.92257	1.5
91.05485	20.2
93.07050	22.8
95.04977	11.1
95.08597	28.2
97.06521	5.5
97.10155	2.7
98.97596	2.1
99.37143	1.6
105.07034	23.3
107.04958	7.1
107.08597	16.5
109.06512	8.1
109.10125	9.7
111.04492	1.8
111.08118	2.6
117.06990	4.0
119.08591	13.2
121.06488	11.1
121.10159	13.1
123.08078	4.6
123.11684	4.6
129.06958	1.7
131.08582	14.0
133.06543	1.7
133.10143	16.2
135.08049	4.6
135.11688	5.6
137.09579	2.1
137.13225	1.5
143.08606	2.2
145.10124	11.6
147.08083	1.9
147.11668	12.8
149.09584	5.5
149.13229	4.3
151.11194	5.4
157.10112	4.5
159.08162	2.0
159.11743	8.5
161.09605	2.5
163.11208	5.7
171.11655	3.0
173.09673	3.0
173.13274	4.3
175.11256	2.3
177.12758	2.2
183.11751	1.9
187.11240	2.2
189.12721	1.6
191.14299	2.5
191.55972	1.8
201.12743	3.9
207.13834	2.9
211.15036	1.8
219.13818	4.0
231.17722	1.9
239.17957	3.3
247.20575	3.0
257.18976	14.5
258.06363	1.5
275.20074	100.0
293.21094	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03938	0.6
53.07603	0.3
55.01862	1.4
55.05300	0.3
55.05510	3.4
56.96546	0.9
57.06821	0.4
57.07078	7.2
65.03944	0.6
67.05505	6.0
68.99773	0.5
69.03426	0.6
69.07060	2.6
70.78001	0.9
71.01344	0.6
71.04966	0.4
71.08619	1.6
79.05489	3.9
81.03432	1.9
81.03836	0.3
81.07054	5.9
83.04965	2.0
83.08607	1.3
85.02882	0.7
85.06528	1.1
91.05466	2.8
93.07047	3.6
95.04971	4.9
95.08604	4.7
97.06524	1.7
97.10162	1.1
98.97580	0.6
99.08090	1.0
102.31152	0.4
105.07010	2.9
107.04950	3.8
107.08581	2.8
108.05748	1.9
109.02876	1.1
109.06512	2.6
109.10152	1.6
111.04446	4.5
111.08069	0.7
116.98602	0.5
119.08582	1.5
121.06503	6.8
121.10131	2.2
123.08064	0.6
123.11670	0.4
125.06001	2.0
125.09617	0.9
127.07532	0.4
131.08531	1.2
133.06448	0.4
133.10129	1.1
135.04395	1.2
135.08029	1.7
135.11690	1.1
137.02313	0.4
139.03865	0.5
139.07483	0.4
141.74846	0.3
143.08551	0.3
145.10098	1.3
147.08032	0.4
147.11707	0.9
149.09608	1.7
151.11154	2.2
153.05452	3.3
159.11664	0.7
163.03850	1.3
163.11189	1.3
164.11971	0.3
165.09036	0.4
165.12759	4.3
167.10680	0.6
175.07437	0.5
177.09091	0.9
177.12743	1.4
179.08618	0.3
181.04950	4.9
181.12265	1.2
190.22456	0.3
191.10674	4.1
193.12065	0.3
195.10181	1.7
209.11734	9.5
219.10213	1.4
223.13321	0.8
236.14037	0.3
237.11209	18.7
237.14948	0.8
265.18127	0.8
265.21521	0.3
275.20062	2.8
275.22949	0.5
293.21097	100.0
294.21402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	3.8
55.01869	6.4
55.05513	13.8
56.96564	3.0
57.03434	13.4
57.07064	3.5
59.05008	2.2
65.03937	2.0
65.44825	1.5
67.05213	1.7
67.05509	22.3
69.03418	4.1
69.07063	14.3
70.51963	5.3
71.01344	2.4
71.04995	17.6
73.02936	2.2
75.04478	4.2
79.05495	27.3
81.03399	4.6
81.07063	27.0
83.04987	17.1
83.08601	5.1
85.02414	3.5
85.02910	49.6
85.06528	3.0
91.05488	24.1
93.07056	31.7
95.04961	13.4
95.08612	21.7
97.06544	10.0
97.10169	6.0
98.06106	1.5
98.97581	3.6
99.04469	2.3
99.08073	1.9
101.05995	2.3
105.07037	26.2
107.04951	4.9
107.08599	37.8
109.02892	2.3
109.06530	11.1
109.10150	10.2
111.04447	10.2
111.08101	2.3
113.06010	3.3
113.09620	1.7
117.07021	6.2
119.08595	19.7
121.06498	4.2
121.10161	15.9
123.08082	6.1
123.11708	4.3
125.09644	4.7
129.05511	10.2
129.07022	5.1
131.08546	10.3
133.10118	15.6
135.08075	5.1
135.11688	5.2
139.07597	2.0
143.08575	4.5
144.72502	1.7
145.03548	1.7
145.10159	12.0
147.06512	2.6
147.11662	9.7
149.06004	2.2
149.09602	8.1
149.13231	3.2
151.11169	3.9
153.05434	4.5
157.10172	5.0
159.11716	7.6
161.09692	1.9
161.13271	3.5
161.57358	1.5
163.03937	2.0
163.11159	2.5
165.09111	2.5
171.06516	4.5
171.11711	1.9
173.13264	4.2
175.07376	1.8
175.11247	2.0
175.14847	2.4
177.05469	23.8
178.06271	23.3
181.12289	1.8
183.11609	2.2
185.13232	6.8
187.11177	5.8
189.11238	2.4
191.07072	8.2
191.10666	2.4
191.14346	1.6
193.08679	2.7
195.06416	1.6
201.16388	3.3
203.14334	5.2
205.12256	5.0
215.10762	2.9
219.17458	19.4
221.15358	6.1
233.11761	29.8
239.09149	4.7
239.17984	2.1
244.09654	2.3
257.10269	1.7
257.19043	9.5
275.20074	57.2
275.23114	2.9
293.17267	100.0
293.21030	14.8
293.27969	2.4
296.36005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03950	2.5
55.01871	6.2
56.96568	17.7
57.03426	10.3
57.07064	10.0
61.02922	8.4
65.03944	3.1
67.05509	23.9
69.03443	19.6
69.07064	5.7
70.53201	9.0
71.04977	13.6
73.02920	6.4
79.05475	6.9
81.03385	7.8
81.07048	4.7
83.04971	3.7
84.96009	4.6
85.02415	5.4
85.02901	86.9
85.06535	9.0
87.04473	4.9
89.03918	4.7
91.03918	4.9
91.05425	3.1
93.07021	4.8
95.04965	27.9
95.08575	5.5
97.02876	19.1
98.97590	30.9
99.04455	5.0
105.07043	5.2
107.04961	4.4
109.02853	8.0
110.97531	4.2
113.06001	43.6
114.05537	3.7
115.05428	3.4
116.98649	15.2
124.99114	5.1
127.03920	19.8
128.98561	5.7
131.07040	100.0
134.23944	2.5
135.04401	6.2
143.00179	6.0
145.02901	6.3
145.04941	17.0
149.06137	3.0
158.99649	6.3
161.01210	7.3
161.05946	5.9
161.07133	6.5
163.02786	4.6
163.03908	32.7
167.07037	6.1
177.00647	4.7
177.05505	4.1
187.07512	6.2
189.00720	5.4
203.07317	4.6
212.08115	3.3
213.71982	2.9
219.01762	6.4
229.08643	3.5
233.06885	3.8
237.02908	8.9
243.59520	3.8
249.02873	4.2
251.04672	2.6
251.08118	3.1
269.05301	3.1
275.09558	3.1
275.20224	2.7
293.05618	6.0
293.10989	4.6
293.14890	4.6
293.21176	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01863	5.2
55.05509	33.4
57.03424	8.1
57.07073	18.8
67.05166	2.8
67.05504	46.7
68.84653	1.8
69.03408	4.8
69.06715	3.4
69.07066	46.8
70.98055	5.5
71.01333	3.2
71.04992	16.2
71.08634	29.4
73.02917	3.7
75.04485	4.3
79.05491	30.5
81.03400	3.5
81.07055	100.0
83.04980	18.1
83.08612	27.4
85.02901	62.4
85.03416	2.9
85.06542	15.0
85.10188	3.1
87.04456	2.8
91.05470	14.8
93.07047	38.2
95.04964	8.3
95.08605	93.7
97.06522	3.2
97.10169	18.1
98.97570	5.0
99.04449	3.1
99.08094	34.6
103.87576	1.5
105.07033	11.7
107.08582	26.9
109.02816	2.7
109.06519	3.3
109.10146	49.6
111.04434	13.2
111.08071	7.0
111.11722	8.4
115.01919	1.8
117.07095	2.9
119.08579	5.8
121.06495	3.5
121.10143	17.4
122.91499	1.6
123.08087	5.1
123.11699	25.4
125.06020	2.8
125.09550	2.3
125.13268	2.8
129.05487	18.0
131.08549	5.4
133.10136	3.4
135.08080	3.4
135.11699	16.5
137.13199	8.8
139.11212	4.9
141.06934	2.1
145.10081	2.3
147.06517	5.6
147.11639	3.4
149.13254	25.4
151.07521	2.7
151.11191	2.6
151.14772	4.8
153.05553	9.2
153.12851	2.3
159.11699	3.9
161.09717	3.2
163.11172	2.2
163.14809	5.7
165.16374	3.2
166.87613	1.8
171.06538	6.6
177.12758	3.3
177.16441	3.8
179.10628	2.1
179.17928	2.0
183.06557	2.2
187.11205	2.3
191.18056	1.9
195.13741	1.9
201.07509	3.1
205.19592	2.6
219.21078	3.1
223.20630	2.2
239.09082	3.5
249.25415	2.0
257.10059	2.6
257.18988	2.8
275.16605	2.0
275.20050	6.7
275.27228	5.5
293.21140	7.8
293.28375	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40865	1.6
53.03942	5.3
55.01866	7.4
55.05515	39.4
55.75545	1.7
57.03429	8.2
57.07073	15.5
59.04985	2.4
61.02919	2.2
65.62971	1.6
67.05508	49.9
69.03443	10.4
69.06712	3.7
69.07068	54.0
70.66791	1.8
70.67153	5.8
71.04996	27.1
71.08634	6.7
73.02906	3.5
75.04473	6.8
76.67056	1.9
79.05488	35.4
81.03413	4.3
81.07056	100.0
83.04984	16.6
83.08618	27.6
83.52837	2.0
85.02906	66.9
85.06547	17.7
87.04462	2.5
91.05478	20.9
93.06470	1.9
93.07046	37.2
95.04976	11.6
95.08606	79.6
97.02940	2.0
97.06528	13.0
97.10175	19.2
99.04444	3.6
99.08106	5.0
101.06009	2.4
103.07819	2.1
103.08517	1.7
105.07025	18.8
107.04906	4.3
107.08593	38.5
109.02870	3.4
109.06548	9.5
109.10157	54.6
111.04441	15.5
111.08075	8.5
111.11727	7.2
113.06021	2.9
113.09605	3.4
117.07018	5.5
119.08595	16.2
121.06527	4.4
121.10143	22.3
121.63822	1.9
123.08027	3.0
123.11702	23.5
125.05948	2.8
125.09647	8.5
127.11274	2.5
129.05458	16.1
131.08549	11.4
133.10127	14.7
135.08087	4.1
135.11725	12.8
137.09616	4.1
137.13223	9.5
139.03891	2.9
139.11189	3.8
143.08536	3.0
145.10159	8.7
147.06567	6.3
147.11705	10.0
149.03996	2.5
149.09663	9.4
149.13242	14.9
151.11176	5.5
151.14868	3.8
153.05458	6.9
153.09068	2.6
157.10161	2.8
159.11726	6.3
161.13275	6.8
163.11205	5.5
163.14879	7.9
165.09129	3.5
165.16379	2.6
167.10692	2.2
171.06490	6.2
171.11713	1.9
173.13271	5.4
175.11252	3.0
176.54465	1.9
177.12869	2.4
179.14301	2.0
180.42302	2.0
183.06590	2.0
187.11218	2.4
189.11205	3.2
191.17940	2.5
201.07692	3.4
223.20638	2.2
239.09161	4.7
247.20477	4.5
249.25874	2.6
257.09918	2.2
257.19009	7.1
275.20065	47.6
275.27237	5.5
293.17575	3.8
293.21118	26.3
293.24527	2.4
293.25119	3.1
293.28308	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	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01882	3.7
55.05514	24.6
57.03437	14.5
57.07073	10.0
59.05000	3.2
67.05510	34.4
69.03433	9.9
69.07066	31.9
70.32162	5.1
70.32551	5.2
71.05001	35.4
71.08636	6.4
73.02914	6.2
75.04482	8.4
78.18957	2.5
79.05482	13.4
81.03403	4.0
81.07063	62.6
83.04985	31.2
83.08633	19.2
84.89244	2.5
85.02908	100.0
85.06564	12.6
87.04462	2.9
91.05471	12.2
93.07034	22.6
95.04972	9.8
95.08611	71.7
97.06535	7.4
97.10175	8.1
99.04447	5.5
99.08086	7.4
101.06025	3.9
103.03974	2.6
105.07045	12.4
107.08612	18.1
109.02870	3.9
109.06517	5.2
109.10165	36.9
111.04453	23.2
111.08078	2.7
111.11742	6.6
119.08596	7.5
121.10172	12.5
123.04517	3.7
123.08057	3.6
123.11723	22.2
125.05964	2.3
125.09621	5.9
129.05481	33.3
131.08575	3.1
133.10130	5.5
135.11697	8.1
137.09619	2.8
137.13245	17.3
139.11217	4.1
140.64264	2.4
145.10086	5.7
147.06555	6.8
147.11714	7.0
149.02391	4.6
149.09705	2.4
149.13271	6.9
153.05492	13.2
159.06519	2.7
163.11232	2.7
163.14786	3.1
171.06552	6.9
180.25337	2.4
183.06613	2.4
201.07603	4.1
233.08043	2.3
239.09250	9.3
257.19125	2.5
275.20038	6.0
293.09985	4.6
293.17505	5.0
293.21072	8.9
293.25113	4.3
293.28268	22.0
301.27359	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	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
55.05504	8.2
57.03434	13.9
57.74614	1.4
59.04995	2.1
67.05495	4.4
69.03427	11.1
69.07079	2.1
71.01346	3.0
71.04992	33.8
71.36298	2.9
73.02903	4.0
75.04476	9.9
79.05486	4.2
81.07050	5.0
83.04983	28.7
85.02905	100.0
87.04477	2.7
91.05475	7.9
93.07033	3.5
95.04958	8.1
95.08620	4.1
97.02869	3.4
97.06518	3.9
98.97654	1.9
99.04446	4.0
107.08601	2.1
109.02839	3.5
111.04447	26.0
113.05983	3.1
119.08611	1.7
123.04414	3.3
125.06028	3.5
125.58115	1.7
127.03933	3.0
129.05501	27.9
137.05992	2.8
140.11418	1.7
141.05466	1.6
147.06534	8.4
151.07545	4.8
153.05452	14.0
157.04979	4.0
159.07970	2.0
171.06525	7.4
175.07593	2.6
183.06635	2.1
198.43735	1.8
201.07607	6.5
212.10786	1.8
213.07553	3.5
239.09256	7.2
257.10333	4.6
259.14246	1.9
275.11298	4.0
293.12073	3.0
293.21204	3.6
308.32916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01859	12.2
55.05285	3.0
55.05516	33.6
56.96561	6.7
57.03442	23.6
57.07066	4.2
59.04995	3.4
65.03927	2.6
67.05511	36.6
67.27818	2.5
69.03420	8.3
69.07068	25.1
70.19211	2.6
71.01373	4.7
71.04993	35.2
71.61977	4.0
73.02911	5.7
75.04478	8.5
79.05492	49.2
81.03423	7.5
81.06628	4.5
81.07059	49.1
83.04981	32.0
83.08627	14.7
84.87984	2.4
85.02905	90.8
85.06519	7.3
87.04484	5.2
91.05486	45.0
93.06541	4.3
93.07053	45.7
95.04974	22.9
95.08602	33.8
97.02893	2.6
97.06527	9.2
97.10160	9.6
98.97577	8.0
98.98434	3.1
99.04470	6.0
101.06019	2.5
103.05453	2.4
105.07026	37.8
107.04970	10.0
107.08595	60.9
108.00579	2.8
109.06499	11.3
109.10158	17.7
111.04449	19.4
111.08087	4.8
113.06039	5.4
117.07020	13.4
119.08578	27.9
121.06509	8.2
121.10139	20.1
121.74625	2.5
123.04428	5.8
123.08045	5.0
123.11754	5.2
125.09632	9.3
129.05498	21.7
129.07019	4.9
131.08575	13.6
133.06522	3.0
133.10127	20.3
135.04440	3.3
135.08022	8.4
135.11711	7.9
137.09630	3.9
137.13364	2.5
143.08571	4.1
145.06654	2.4
145.10143	13.9
147.06535	8.4
147.11705	16.7
149.06047	3.7
149.09639	15.1
149.13272	3.2
151.11128	3.7
153.05527	13.2
157.10135	5.3
158.99734	2.9
159.11714	12.5
161.09642	5.1
161.13226	8.3
163.03854	5.1
163.07555	4.4
163.11151	7.5
165.09140	4.6
169.10158	5.3
171.06609	8.9
171.11734	3.9
173.13271	6.1
175.14891	4.5
177.05476	51.2
177.12671	3.7
178.06247	44.7
182.12807	2.7
183.06552	3.2
183.11819	3.1
185.13292	8.8
187.11174	8.1
191.07083	16.7
191.10561	5.0
201.07640	6.2
201.16437	5.2
203.14270	6.2
205.12245	6.1
213.07545	3.1
215.10715	4.7
219.17447	20.7
221.15355	8.6
233.11714	54.6
239.09064	5.4
239.17958	6.5
247.20557	4.2
257.10037	3.5
257.19119	13.9
275.20087	75.8
293.12326	4.6
293.17233	100.0
293.21072	29.9
293.28116	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01854	6.2
55.05519	16.7
56.96551	6.8
57.03441	17.5
57.07098	2.2
59.04985	2.2
61.02908	2.4
67.05500	22.7
69.03436	10.3
69.07070	15.7
69.93348	8.4
69.93752	3.4
71.01333	5.0
71.04994	41.3
73.02891	3.5
75.04483	10.2
79.05486	16.9
80.05849	2.1
81.03415	3.2
81.07059	26.1
83.04980	32.9
83.08604	6.6
85.02905	100.0
91.05470	11.4
93.07050	19.0
95.04960	16.1
95.08606	22.2
96.71987	2.0
97.02868	3.8
97.06533	13.8
97.10175	4.4
98.97565	4.3
99.04472	2.6
101.06032	2.8
105.07054	10.5
107.04928	5.6
107.08617	15.7
107.15069	1.8
108.08942	2.2
109.02865	4.5
109.06560	9.8
109.10155	10.4
111.04438	23.5
111.08063	4.0
113.05996	5.4
116.98605	3.4
117.06982	3.6
119.08611	10.5
119.09319	2.6
121.06471	4.5
121.10155	9.9
123.04411	2.9
123.08070	4.4
123.11708	4.6
125.09624	4.2
129.05481	26.2
131.08557	7.5
133.06509	3.4
133.10101	8.5
135.04440	3.9
135.08009	5.6
135.11661	5.0
136.08397	5.0
137.08556	2.2
137.09625	3.5
137.13187	2.8
143.08565	2.5
145.10112	6.1
147.06503	9.9
147.07994	2.5
147.11668	5.5
149.09610	5.8
149.13231	2.7
151.07440	2.1
153.05469	13.2
155.08501	2.7
157.04933	3.0
159.11673	7.3
161.13310	3.2
163.11192	2.0
167.07013	2.1
171.06534	8.9
173.13290	2.4
175.11282	2.4
183.06497	3.2
187.11238	2.2
201.07582	6.0
205.15947	2.6
213.07635	4.8
215.17979	2.3
221.08049	2.2
239.09142	8.8
239.17754	2.1
247.16924	2.3
247.20486	3.6
257.10196	3.6
257.18997	3.3
275.11182	3.5
275.20044	24.5
293.12375	2.3
293.17297	5.5
293.21078	17.8
293.27902	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78485	4.2
58.25476	4.3
59.12581	4.8
63.68558	3.9
64.20969	4.7
69.88102	21.3
73.34712	4.4
87.32937	4.7
98.21436	4.7
114.05475	5.6
143.01933	4.8
213.35773	4.4
214.35239	4.2
220.87752	4.2
269.01132	5.2
293.06323	100.0
295.23822	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03940	1.9
55.01868	1.8
55.05507	23.2
56.96574	0.7
57.03432	0.8
57.07070	9.3
59.05005	0.8
65.03927	1.7
67.05504	35.2
69.03425	2.5
69.07066	40.0
69.79248	3.6
71.04986	1.2
71.08639	3.7
77.03888	0.6
79.05489	25.0
81.03367	0.6
81.07055	100.0
83.04959	0.5
83.08620	16.6
85.02888	1.4
85.06053	1.2
85.06538	17.5
85.10184	1.3
91.05473	12.6
91.06001	1.1
93.07044	51.5
95.04965	1.7
95.08604	84.3
97.02899	0.7
97.06523	2.1
97.10168	10.9
98.97578	2.7
99.08095	12.4
105.07027	14.6
107.08592	61.3
109.06514	2.0
109.10152	56.9
109.14198	0.6
110.97552	0.8
111.08093	5.0
111.11732	5.0
111.78289	0.7
113.09666	4.0
116.98560	0.8
117.07034	0.9
119.08581	15.6
121.10141	40.8
123.08080	0.6
123.11707	23.1
124.11997	0.6
125.09617	4.5
127.11175	1.8
128.98593	0.7
131.08551	1.9
132.04469	0.9
133.10126	12.6
135.11688	33.5
137.13254	9.9
139.11145	2.2
145.10126	1.4
146.02386	0.7
147.11693	9.5
149.13255	49.9
151.14801	3.7
153.12785	1.1
158.06076	0.9
159.11629	0.9
161.13243	9.4
163.14821	32.3
165.12733	0.7
165.16371	0.8
167.14360	1.6
174.05524	2.6
175.14804	5.8
177.16383	13.9
178.04970	4.6
179.17949	0.9
181.15898	1.8
186.05399	0.8
186.09193	1.0
189.16353	3.9
191.17947	6.5
195.17416	2.2
197.15115	0.6
200.07018	1.4
203.17996	5.0
205.19492	2.1
207.17409	1.0
209.19044	2.5
210.09059	0.9
212.07176	3.7
217.19528	5.6
219.21143	0.9
220.07541	1.5
221.19020	3.5
227.43867	0.6
228.10175	2.8
230.07887	1.0
231.21053	1.2
233.22699	0.8
235.20522	3.9
238.08626	3.0
247.24223	1.1
249.22202	1.0
256.09698	13.0
273.18607	1.0
273.25726	8.3
291.10156	0.9
291.19736	1.5
291.26813	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03909	1.9
55.01863	4.6
55.05260	1.7
55.05510	27.7
57.03430	4.2
57.07072	21.2
63.35825	1.4
63.60133	1.4
67.05165	3.0
67.05502	43.3
69.03423	3.1
69.07063	44.3
70.02124	7.3
70.06590	3.2
70.99403	1.5
71.04973	5.6
71.08630	18.1
79.05495	37.2
81.03421	3.4
81.07055	90.1
83.04970	6.2
83.08614	23.0
85.06525	3.7
85.10162	4.8
88.07633	3.8
89.07961	2.1
91.05476	23.5
93.07043	46.1
95.04966	9.5
95.08606	100.0
97.06506	8.8
97.10171	12.0
98.20759	3.0
98.97582	2.3
105.07029	38.5
107.04926	4.4
107.08589	50.0
109.06522	7.7
109.10155	46.8
111.08079	12.7
111.11688	5.4
117.07000	5.4
119.07788	2.3
119.08581	29.2
121.06536	3.9
121.09307	2.0
121.10146	32.5
121.49182	1.3
123.08056	12.0
123.11705	22.8
125.09643	4.2
131.08592	8.0
133.10130	25.0
135.08023	6.9
135.11696	26.3
136.39745	1.9
137.09605	7.2
137.13246	9.0
139.11166	2.1
143.08553	2.7
145.10110	6.3
147.08031	4.8
147.11685	30.0
149.09723	1.8
149.13264	19.1
151.07562	14.2
151.11209	5.0
151.14807	4.5
157.10133	1.8
159.07889	1.7
159.11670	3.5
161.09637	2.1
161.13245	20.5
163.11156	3.2
163.14818	12.2
165.12770	6.4
165.16396	4.7
173.13226	2.2
175.11119	2.3
175.14796	10.9
177.16422	9.6
179.14281	4.4
179.17946	3.3
185.13133	2.0
189.12746	5.4
189.16386	7.8
191.14265	2.1
191.17937	6.5
193.15938	2.1
197.11644	2.4
199.14679	2.1
203.17940	7.0
207.13809	12.0
217.15869	1.7
217.19510	9.8
229.23546	7.5
231.21126	3.2
233.15388	4.0
234.47665	1.8
235.20638	2.0
247.24124	3.9
255.17401	2.4
273.18481	8.7
273.25763	42.9
291.16406	1.8
291.19574	28.9
291.26874	95.4
292.19955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	4.7
55.01863	1.8
55.05510	18.1
56.96558	3.0
57.07055	4.1
59.05019	1.1
65.03941	2.0
67.05168	2.0
67.05505	38.0
69.03440	1.5
69.07067	18.7
71.04969	1.1
71.29944	1.2
79.05493	69.5
81.07055	50.9
83.04963	1.5
83.08606	8.0
85.06501	2.8
86.51517	1.2
87.08189	1.1
91.05472	28.1
92.10558	1.2
93.07042	100.0
95.04950	7.8
95.08601	37.3
95.09217	1.2
97.06527	2.8
97.10157	5.9
99.08080	1.6
105.07032	17.9
107.04967	1.8
107.08591	61.2
109.06501	4.9
109.10152	19.6
111.08070	2.7
113.09672	1.3
117.07001	3.9
119.08578	21.0
121.06484	1.4
121.10142	49.4
121.11017	2.6
123.08075	3.9
123.11691	4.2
125.09609	2.3
129.07025	2.2
131.08554	7.9
133.10126	14.8
135.08015	2.9
135.11693	62.8
137.09615	3.4
137.13271	1.9
143.08586	3.0
145.10104	8.5
147.11702	11.1
149.09657	3.9
149.13258	36.8
151.11150	2.6
157.10095	3.4
159.11691	6.0
161.09538	1.6
161.13225	9.5
163.11197	2.8
163.14796	11.6
171.11676	3.4
173.13266	3.4
175.11183	2.7
175.14822	6.4
177.12711	3.4
181.52144	1.1
183.89932	1.4
185.13248	4.3
189.12827	2.5
191.14355	1.5
193.12282	1.4
195.13737	1.7
199.14777	3.4
207.13803	1.5
207.96565	1.2
209.15231	1.6
213.16309	2.8
217.19452	3.7
221.15334	2.0
231.17426	2.1
231.21152	1.6
233.15475	1.5
235.16954	2.9
241.19714	6.3
249.18503	4.9
259.20639	9.3
273.18640	1.3
273.25629	2.9
291.19702	7.9
291.23163	64.1
291.26553	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03928	7.6
55.05513	11.4
56.96561	11.0
57.07058	4.4
67.05168	3.3
67.05505	49.5
69.03374	1.7
69.07071	16.4
71.04974	1.8
71.08639	2.1
71.61001	2.3
79.05056	3.2
79.05492	60.9
79.65239	1.8
81.03403	2.5
81.07059	42.6
83.04935	2.9
83.08615	10.3
85.06560	4.2
86.26175	1.7
91.05486	31.3
93.07048	100.0
95.04987	10.5
95.08607	31.4
97.06538	8.3
97.10175	4.0
105.07046	16.9
106.73573	1.8
107.04948	2.2
107.08589	37.5
109.06519	4.3
109.10167	15.3
111.08052	3.7
117.06982	4.6
119.08569	13.8
121.10146	64.2
123.08059	4.3
123.11686	4.0
125.09657	1.9
131.08604	9.0
133.10150	11.6
135.08011	2.6
135.11690	27.2
137.09586	4.3
137.13289	2.0
141.05499	1.7
143.08511	5.1
145.10106	6.2
147.07895	1.6
147.11684	6.5
149.09561	3.2
149.13261	9.6
151.07512	5.1
157.10127	2.7
159.11693	5.2
161.09726	1.9
161.13222	4.6
163.14824	2.8
169.10159	2.0
171.11658	4.4
173.13251	3.2
175.11252	1.8
177.16397	2.2
183.11554	2.5
185.13286	2.7
189.16449	3.9
193.10028	2.3
195.11732	3.1
197.13243	3.4
199.14722	2.0
206.10971	1.8
207.11792	2.1
209.15327	3.9
221.13341	2.6
247.14809	1.9
249.16463	2.4
255.21057	3.1
255.93071	1.9
273.22058	7.4
291.20544	10.5
291.23483	50.5
309.66348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01873	3.1
55.05516	22.5
56.96553	2.5
57.07085	3.1
57.97152	1.2
59.04995	1.9
65.03934	2.5
67.05165	2.4
67.05508	38.3
69.03424	3.8
69.07077	17.9
69.64040	9.3
71.04988	2.1
76.28380	1.2
79.05497	72.8
81.03421	2.2
81.07059	51.3
83.04975	2.8
83.08630	12.3
85.06537	4.4
91.04951	2.4
91.05479	32.0
93.07050	88.0
95.04967	9.2
95.08613	37.0
97.06548	2.3
97.10170	5.6
105.04497	2.5
105.07032	20.0
105.93265	1.4
107.04940	2.5
107.08595	55.4
109.06524	3.4
109.10162	17.2
111.08110	2.1
117.07003	6.2
119.04919	1.8
119.08575	21.9
121.06514	3.2
121.10145	38.2
123.08042	5.7
123.11701	4.6
125.09599	4.1
129.06970	4.4
131.08571	9.5
133.06467	3.5
133.10138	15.2
134.17490	1.5
135.08081	2.6
135.11703	47.5
137.09654	3.2
143.08548	4.6
145.10101	9.6
147.08081	3.6
147.11670	11.5
149.09601	2.9
149.13255	25.4
151.11211	2.6
157.10133	1.9
159.11703	4.3
161.09616	2.1
161.13277	8.7
163.11134	3.4
163.14838	8.7
165.12762	1.5
171.11714	6.2
173.13304	2.4
175.14827	8.6
177.12766	3.6
185.13213	2.8
185.51262	1.4
189.12791	2.7
199.14825	3.3
209.15332	1.8
213.16397	2.0
221.15363	2.5
231.17557	1.4
235.16858	2.7
241.19547	5.4
249.14847	3.5
249.18535	6.3
259.20746	8.6
273.18481	5.8
291.19540	100.0
291.23141	58.5
291.26511	4.0
300.34998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	8.9
55.01871	16.3
55.05258	5.0
55.05511	69.7
57.03425	5.4
57.07067	6.9
60.55346	2.4
65.03947	3.3
67.05506	53.0
69.03419	10.2
69.07066	34.0
69.55236	3.7
69.55576	20.8
71.04985	5.4
79.05489	76.9
81.03405	3.5
81.07058	91.4
83.04977	11.4
83.08625	30.5
85.06539	4.9
89.73650	2.6
91.05483	83.9
93.07049	53.0
93.66727	2.9
95.04974	21.8
95.08038	4.2
95.08605	51.5
97.06522	5.7
97.10174	38.8
98.97597	4.3
99.08076	2.9
105.03397	9.6
105.07024	41.4
107.04941	11.2
107.08594	46.8
109.06511	10.2
109.10159	31.0
111.08077	11.2
111.11728	4.1
115.05473	7.2
117.07023	34.9
117.38108	2.9
119.04961	4.9
119.08585	89.8
121.06522	18.7
121.10144	22.4
123.08085	7.2
123.11710	15.9
125.09638	27.3
128.06210	3.9
129.07043	13.6
131.08572	34.3
132.05682	6.5
133.06482	8.1
133.10138	16.5
135.08051	15.4
135.11707	8.8
137.09598	3.6
137.13245	7.1
143.08549	20.1
145.10129	35.8
147.08043	57.7
147.11662	10.3
149.09631	5.6
149.13240	12.8
151.07579	8.3
153.09064	5.3
156.09398	3.4
157.10196	13.0
159.08049	5.8
159.11736	12.8
161.09639	13.0
161.13271	4.1
163.11183	4.6
163.14793	7.5
167.08478	3.2
171.10283	3.2
171.11661	10.0
173.11850	3.2
173.13205	5.8
174.30379	2.8
175.14717	2.6
177.09076	3.5
185.13284	4.6
189.11203	10.4
189.12724	3.9
195.11736	3.3
207.13766	6.6
217.19391	3.2
223.13242	3.6
227.17990	6.5
245.19008	5.8
249.14809	9.1
255.17412	12.1
273.18478	100.0
273.25644	6.4
291.19534	65.3
291.26614	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	291.1954
Annotation	ML-236C
Peak:m/z	Relative Intensity
53.03930	4.5
55.01854	7.3
55.05513	30.4
56.96561	4.1
57.03426	6.0
57.07074	16.2
65.03923	4.4
65.90381	2.3
67.05168	3.5
67.05503	61.0
69.03423	5.7
69.06713	3.2
69.07064	48.0
71.04982	8.9
71.08616	10.7
71.61866	3.1
79.05057	3.5
79.05488	48.8
81.03387	11.2
81.07053	100.0
81.87939	2.6
83.04974	5.9
83.08618	27.2
84.04476	4.7
85.02888	7.1
85.06525	11.4
85.10175	4.3
87.04426	2.3
89.01852	2.4
91.05477	55.9
93.06462	4.7
93.07040	86.5
95.04976	18.2
95.08600	94.0
97.06543	13.8
97.10189	14.5
98.97574	12.0
99.08053	4.5
103.05463	3.0
105.06384	4.3
105.07026	58.0
107.04960	4.5
107.08595	56.1
109.06506	14.5
109.09438	5.0
109.10143	58.0
110.97548	6.6
111.04369	2.7
111.08068	10.0
111.11689	7.5
115.05460	4.1
116.98644	3.4
117.07013	36.7
119.08578	49.6
121.06463	3.0
121.10139	43.2
123.08031	11.5
123.11713	27.8
125.09614	2.9
128.06218	7.2
128.98573	5.6
129.07004	20.0
131.08565	78.5
133.06511	3.7
133.09204	3.9
133.10123	37.8
135.08043	15.6
135.11682	28.1
137.09605	13.2
137.13225	8.5
139.11162	4.2
141.06961	6.0
143.08543	10.7
145.10130	41.0
147.07990	5.1
147.11674	29.0
149.09586	5.9
149.13252	35.5
151.11163	4.1
151.14847	3.7
154.07759	3.4
155.08562	7.5
157.10101	18.4
159.08055	2.9
159.11693	35.1
161.09595	4.6
161.13239	16.5
163.03920	2.9
163.11191	4.8
163.14836	14.0
165.09100	4.0
165.12735	6.1
169.10098	11.1
170.99686	3.8
171.11659	21.6
173.09760	2.4
173.13231	9.9
175.11176	5.5
175.14841	6.9
177.12735	8.5
177.16388	6.8
179.14253	2.5
181.10086	9.7
183.11653	5.0
185.09610	3.0
185.13271	5.3
187.14725	3.8
189.12761	7.8
189.16382	4.7
191.17961	5.2
195.11656	7.4
203.17987	4.4
207.13818	3.3
209.13193	8.0
211.12733	2.7
211.14790	8.7
213.16335	7.2
217.19453	4.5
227.14238	7.4
227.17920	7.0
231.01630	2.8
237.16411	25.0
239.17691	2.4
245.15227	3.7
247.16933	8.3
247.24266	3.3
249.02678	8.0
255.17468	19.3
261.18524	3.0
273.15277	3.3
273.18488	41.1
273.25739	23.3
291.09610	3.8
291.12720	3.5
291.15948	4.8
291.19559	62.1
291.26758	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	1.1
55.01873	2.7
55.05263	0.5
55.05513	8.3
56.96575	1.8
57.07065	0.8
59.36427	0.3
65.03929	0.4
67.05159	0.5
67.05505	6.9
69.03432	1.6
69.06710	0.4
69.07070	4.4
71.04991	0.8
71.08624	0.4
71.60632	0.3
79.05049	0.6
79.05497	9.6
81.03424	1.1
81.07061	9.4
83.04989	1.4
83.08629	3.7
83.29421	0.3
85.06569	0.4
87.04500	0.3
91.05481	9.1
93.07047	8.3
95.04967	3.8
95.08612	4.9
95.29753	0.3
97.02859	0.4
97.06557	1.4
97.10175	4.3
98.97576	0.4
103.05476	0.5
105.03369	0.4
105.07039	8.0
107.04959	3.4
107.08605	5.4
109.06506	1.7
109.10154	2.3
111.04467	0.4
111.08101	0.7
115.05435	0.6
116.06219	0.6
117.07021	3.3
119.04939	1.7
119.07774	0.6
119.08583	6.6
120.05714	0.5
121.06499	2.5
121.10143	3.3
123.08080	1.4
123.11713	0.6
125.09656	2.2
129.07022	1.7
130.07784	0.7
131.08562	3.9
133.06499	4.1
133.10130	2.8
134.07274	0.7
135.08084	1.9
135.11674	1.6
137.09615	1.0
143.08551	1.8
144.09465	0.4
145.10110	3.0
147.08051	4.5
147.11687	1.2
149.09622	1.5
149.13287	0.8
151.07558	0.7
151.11147	0.4
153.00710	0.3
155.08566	0.5
157.10112	1.5
159.08076	0.8
159.11691	1.0
161.09641	1.5
161.13235	0.9
162.10388	1.5
163.11143	0.8
163.14842	0.5
165.09158	0.4
169.10066	0.5
171.11673	1.1
173.13298	0.6
175.11237	1.2
175.14856	0.9
185.13257	0.6
187.14767	0.4
189.11212	0.9
189.12704	0.7
207.13840	0.4
213.12405	0.3
217.19434	0.3
223.13309	1.2
227.17918	0.7
233.15463	0.4
245.10515	0.3
245.19005	0.6
249.14993	1.8
249.18413	0.8
255.17563	0.5
261.14783	0.5
262.15579	0.4
263.20087	0.9
268.16641	0.3
270.19406	0.6
271.14816	0.3
273.18481	5.1
277.88077	0.3
279.19778	0.7
279.69833	0.3
291.19547	100.0
292.19940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	24.7
55.01870	11.1
55.05511	25.7
56.96564	8.8
57.07078	11.5
65.03943	2.6
67.05506	60.3
67.30814	1.9
69.03425	5.5
69.07071	29.7
69.49163	13.4
69.49570	3.4
71.04996	2.8
71.08616	3.8
73.02908	3.6
76.93963	1.7
79.05496	33.3
81.03419	21.6
81.07058	50.5
83.04961	4.3
83.08615	11.6
91.05482	60.7
93.03384	1.8
93.07046	44.2
95.04978	12.0
95.08608	55.8
95.09223	2.7
97.02894	22.8
97.06515	2.3
97.10155	9.2
103.05484	3.1
105.03508	1.7
105.04502	1.7
105.07032	54.4
107.04938	7.8
107.08597	23.5
109.02882	100.0
109.06535	4.6
109.10163	20.1
111.04459	4.2
111.08082	2.0
115.05393	3.0
117.06995	10.6
119.04939	7.5
119.08580	59.3
121.06503	5.4
121.10151	26.8
121.50853	1.8
123.04465	9.7
123.08068	6.1
123.11715	8.1
125.05956	2.6
125.09624	2.5
129.06998	6.6
131.08560	12.3
133.06505	23.6
133.10130	42.9
135.08054	7.1
135.11702	15.2
137.06007	4.4
137.09616	8.0
137.13268	2.6
139.07510	2.8
142.74217	1.7
143.08559	5.4
145.10129	8.5
147.08070	19.2
147.11690	23.3
149.09593	4.3
149.13255	7.3
151.07547	12.1
151.11194	2.7
153.09105	2.4
157.10112	4.4
159.11697	3.6
161.09608	9.4
161.13258	14.6
163.14798	2.3
165.09103	13.2
171.11707	4.9
175.11192	7.0
175.14830	5.9
177.16434	5.7
179.10669	6.0
185.13216	4.7
189.12779	3.0
189.16328	3.3
193.12234	2.8
203.17987	3.9
207.13777	3.0
217.16122	1.7
217.19563	15.5
220.13045	2.7
227.17917	7.7
245.18997	8.5
250.13748	2.1
255.17107	1.9
263.20123	4.2
267.66003	2.0
273.18527	7.6
291.19531	23.7
291.23080	3.9
291.26700	2.0
309.20514	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01881	1.7
55.05505	8.0
57.07058	4.1
59.04989	2.6
60.21309	1.3
60.31187	1.4
67.05493	7.0
69.03423	4.7
69.07050	3.7
69.20772	1.4
70.82057	2.6
71.04971	4.4
77.86211	1.4
79.05489	11.6
81.07056	10.2
82.65398	1.5
83.04970	2.1
83.08607	6.7
85.02914	1.8
85.06522	2.8
91.05445	8.0
91.51950	1.6
93.07045	15.3
95.04942	7.2
95.08598	14.6
97.06503	4.5
105.07024	11.6
107.04972	11.0
107.08591	10.9
109.06541	8.0
109.10174	3.5
110.83149	1.4
111.04439	2.6
111.07353	2.4
111.08085	44.0
114.55314	1.6
117.07008	2.3
119.08570	9.0
121.06469	2.9
121.10136	6.6
123.08071	37.0
123.11654	2.0
125.09631	2.7
129.06972	2.4
131.08551	7.4
133.06497	4.4
133.10144	8.3
135.08052	6.0
135.11696	4.2
137.09631	3.4
143.08604	3.5
145.10115	5.7
147.08057	3.6
147.11711	8.8
149.09647	7.6
149.13254	1.8
151.07542	100.0
155.10664	1.8
156.09386	3.2
157.10126	5.5
159.08022	2.4
159.11647	2.0
161.09569	4.3
161.13255	3.2
162.52098	1.6
163.11176	5.2
167.08597	1.4
171.11653	5.6
172.74103	1.4
173.13248	5.2
175.11205	5.0
177.09038	2.1
179.10684	5.1
187.14822	1.7
189.12735	29.2
191.14320	11.7
192.11452	4.1
197.11746	14.3
197.13283	2.2
207.13792	67.4
213.16519	2.2
215.14299	3.3
217.12296	3.9
231.17458	3.2
233.15359	33.2
244.11681	2.0
249.18549	1.8
255.17612	2.9
273.18445	6.4
291.19543	53.8
291.22882	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03939	1.6
53.35656	0.7
53.71910	0.8
55.01881	0.8
55.05505	6.1
56.96552	2.6
57.03405	1.6
57.07061	3.4
59.04985	2.4
62.87661	0.9
64.75566	0.7
65.03925	1.0
67.05219	0.8
67.05509	8.3
68.60117	0.8
69.03413	3.1
69.07078	4.0
70.85524	2.0
71.04979	1.9
79.05492	7.1
81.07064	13.3
83.04975	2.3
83.08617	4.2
85.02882	1.0
85.06535	3.6
90.39478	0.8
91.05480	8.1
93.07040	13.3
95.04974	5.0
95.08033	1.5
95.08601	18.6
97.06535	3.9
98.97588	10.7
104.31866	0.8
105.07032	11.7
107.04976	4.6
107.08582	11.5
109.06516	7.6
109.10153	5.8
110.97579	5.9
111.04451	1.3
111.08080	26.5
116.98607	2.6
117.07037	1.3
119.08586	10.8
120.85984	0.9
121.06488	3.3
121.10117	6.8
121.44735	0.7
122.07270	1.6
123.08068	36.8
123.11689	2.5
125.09647	1.7
128.98621	4.9
129.07021	1.6
130.07797	1.4
131.08575	6.1
133.06470	3.1
133.10144	7.3
135.08069	6.2
135.11693	5.3
137.09612	3.7
139.07550	1.0
141.05469	1.4
142.07713	1.2
143.00151	1.1
143.08508	2.6
144.09334	1.0
145.10141	12.4
146.99644	1.4
147.08058	4.1
147.11667	7.2
149.09601	4.9
149.13281	1.3
151.07542	100.0
153.09012	1.1
155.08603	1.2
155.10664	1.2
156.09375	2.2
157.10120	3.9
158.99680	1.2
159.08080	0.9
159.11676	4.9
161.09613	4.4
161.13263	3.1
163.11201	4.7
163.14902	1.3
169.10149	1.1
170.99615	3.4
171.11658	3.9
173.09630	1.3
173.13277	5.3
174.10416	1.9
175.11183	4.6
175.14954	0.8
177.09122	2.8
177.12700	1.9
179.10715	4.7
181.12230	2.0
187.11168	3.4
189.00717	1.5
189.12744	30.1
191.14268	5.0
192.11464	5.0
197.11707	15.5
197.13289	2.6
199.11093	1.0
203.14267	2.1
207.13808	67.4
211.14880	1.4
213.16386	3.0
215.14313	3.2
217.12210	3.1
229.15866	0.9
231.01744	2.7
231.17485	2.6
233.15379	15.8
235.13274	1.8
249.02788	5.9
255.17453	2.9
273.18478	8.8
273.25687	1.7
291.16083	1.8
291.19543	51.2
291.26599	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1338
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
53.00323	0.7
53.03948	2.9
55.01870	1.9
55.05510	25.3
55.05780	1.2
56.96556	1.9
57.03433	2.2
57.07072	9.4
59.04990	0.7
65.03925	1.3
67.05501	38.1
69.03423	2.5
69.07064	43.4
70.83101	0.6
71.04996	2.3
71.08637	3.0
71.62319	1.1
77.03918	0.9
79.05487	25.3
81.07052	100.0
83.04984	1.6
83.08614	16.4
85.02899	3.5
85.06539	17.3
85.10159	1.0
89.34435	0.6
91.05463	12.9
93.07040	52.7
95.04975	3.1
95.08601	88.8
97.02904	0.8
97.06535	2.9
97.10166	10.1
98.97562	5.0
99.08086	12.4
105.04550	0.8
105.07021	19.8
107.08588	62.4
109.06528	2.4
109.10149	51.6
110.97569	1.5
111.08076	5.4
111.11714	5.3
113.09657	3.8
116.98618	1.8
117.07014	1.6
119.04926	1.1
119.08574	17.4
121.10139	38.9
123.08083	1.5
123.11701	26.8
125.09613	4.6
125.13258	1.5
127.11182	2.3
128.98616	1.0
131.08559	2.5
132.04451	1.1
133.10117	12.4
135.08083	1.2
135.11682	31.7
137.09628	1.7
137.13251	10.6
139.11162	2.4
139.66243	0.8
141.12787	1.3
145.10126	1.9
147.11681	11.0
149.13254	47.9
151.14810	3.3
153.12790	1.3
158.05997	2.2
158.99603	0.8
159.11717	1.9
161.13237	9.4
163.14815	32.7
165.06989	1.4
165.12817	0.9
165.16400	0.9
166.06570	0.9
167.14359	1.4
170.99559	0.8
172.07581	0.9
174.05469	5.6
175.14821	4.9
177.04128	1.2
177.12743	0.7
177.16370	10.6
178.05003	8.5
178.90221	0.7
179.14339	1.1
179.18019	0.9
181.15877	1.6
184.07622	0.8
186.09174	2.4
189.00703	1.1
189.16345	4.5
191.17944	5.3
192.08076	1.1
195.17473	2.1
200.05443	0.7
200.06941	3.3
200.10663	0.9
202.08649	2.1
203.17915	5.1
207.17438	1.0
207.38293	0.8
209.18925	3.3
210.09099	2.1
212.07069	8.2
214.08652	0.9
217.19478	6.4
219.01505	0.7
220.07584	2.0
221.19040	3.9
228.10162	5.0
230.08070	3.3
231.01770	1.1
231.21092	1.2
235.20561	6.0
238.08646	5.8
247.24168	0.9
248.08214	0.7
249.02914	2.7
256.09671	21.7
273.18512	2.2
273.25781	8.9
276.07773	0.9
291.06934	0.8
291.10132	2.8
291.13058	0.8
291.15967	1.7
291.19653	3.8
291.26794	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	291.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.9
56.96571	12.6
57.03442	1.5
57.67170	0.7
69.03440	3.3
71.05021	1.3
71.60789	0.9
73.02933	0.9
81.03434	1.2
82.99900	0.9
83.04996	1.2
84.08157	1.2
84.96017	1.8
85.01447	1.1
85.02891	4.2
87.04453	0.8
93.33137	0.7
95.04937	1.0
97.02916	2.9
98.97592	13.1
101.00879	6.7
103.00648	1.4
103.02464	1.5
110.97592	1.0
112.99168	1.4
113.00900	2.4
115.00708	0.7
115.02488	1.9
116.98627	4.1
117.04077	1.0
119.01926	8.6
121.01714	2.0
124.99136	4.0
126.05498	0.8
126.30750	0.7
127.03903	1.1
128.98634	2.3
129.03998	0.9
129.05524	1.3
130.12308	1.0
131.01926	6.0
133.01720	2.0
133.03528	2.7
135.03229	0.8
137.03000	1.0
138.89224	0.7
143.00168	6.2
143.01874	4.6
145.01767	1.5
145.03474	5.3
145.05139	0.9
147.03194	1.1
147.05020	9.2
155.01869	3.8
157.02353	0.6
157.03535	2.8
158.99692	1.5
159.03270	0.9
159.05064	2.0
161.01331	2.7
161.03032	11.0
163.02805	1.7
165.06224	2.0
169.03340	0.9
170.99680	3.9
171.03841	0.8
171.05019	3.8
173.01326	3.1
173.03040	5.2
175.02829	0.9
175.04529	2.1
177.00815	1.2
178.04964	1.6
183.05130	2.0
185.01303	2.1
185.03024	2.0
185.06721	1.7
186.99176	1.3
187.02753	1.1
187.04539	1.2
189.00774	2.8
189.02509	1.3
189.04419	2.3
189.06204	7.4
191.02280	1.7
191.04048	1.0
201.00801	0.9
201.06053	8.3
203.02345	1.6
203.04115	3.5
203.07726	2.5
205.00276	1.5
207.01869	1.1
207.05341	0.8
213.00702	1.8
213.06223	1.3
219.01830	1.4
221.05138	3.8
225.06195	2.3
231.01889	2.5
231.07318	1.1
237.03024	1.0
248.99335	1.7
249.02980	2.1
255.07364	0.7
267.04050	2.2
285.05145	1.1
291.04059	4.6
291.10593	100.0
309.05121	4.8
309.08313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Altenusin
Peak:m/z	Relative Intensity
50.19653	2.4
55.01880	18.5
55.05513	5.0
56.96564	21.5
57.03427	4.1
60.05910	2.5
63.83477	2.2
65.03927	3.8
67.05503	9.0
69.03421	4.4
69.07070	8.4
70.06590	4.3
70.94710	8.5
71.04993	6.7
73.02909	6.8
79.05493	9.0
81.03381	4.0
81.07038	6.1
83.04985	5.6
84.08129	7.3
84.96045	6.3
85.02899	9.4
85.08134	2.6
89.03929	2.6
91.05476	9.0
93.07037	8.9
95.04984	5.8
95.08601	7.1
97.02898	3.9
97.06532	3.1
98.97580	67.5
100.81826	2.8
103.05467	8.9
105.07024	8.1
107.04970	3.9
107.08587	4.6
109.06489	2.6
109.10179	4.8
110.97556	26.5
111.04427	3.2
112.99128	5.8
115.05444	27.8
116.98614	32.3
117.03379	9.8
117.06999	5.8
119.04932	3.2
119.08559	5.5
121.10149	4.3
124.99122	4.2
128.06203	7.0
128.98598	34.0
129.06999	17.6
131.00179	4.2
131.04950	10.5
131.08537	6.5
132.05748	3.5
132.08426	8.2
133.06529	3.6
133.10068	2.9
134.99677	8.6
137.05972	4.1
138.05511	5.2
139.03986	2.8
139.05449	6.2
141.06975	20.0
143.00174	7.7
143.04930	33.4
145.02850	3.8
145.06494	6.4
145.10123	3.7
146.03633	12.7
146.99637	16.6
147.04440	4.8
147.11662	3.1
149.05981	31.4
151.03871	3.3
151.07547	3.4
155.04887	4.7
157.06465	27.3
158.99651	8.5
159.04417	5.7
159.11745	3.8
160.05168	25.8
161.01173	13.5
161.05995	32.5
162.03159	5.8
163.03967	7.7
163.07602	3.0
164.07077	4.9
165.07324	4.7
167.04948	6.7
169.06491	16.0
170.99625	21.4
171.04410	30.2
171.08009	3.4
172.05212	5.2
173.01213	5.1
173.06035	3.8
173.13287	4.4
174.06787	9.2
175.07542	76.5
175.08986	5.8
177.00722	9.1
177.05453	43.2
177.09128	3.4
178.06261	6.3
181.06325	3.0
184.05151	16.5
185.05959	24.5
186.03122	5.2
186.06790	5.8
187.03915	10.8
187.07495	17.3
188.04691	12.3
188.09468	20.7
189.00702	24.3
189.05455	23.6
189.09114	11.1
190.02469	3.1
190.06319	3.5
191.06985	13.6
195.04350	6.8
197.05989	8.9
199.03899	9.9
199.07565	9.7
199.12312	5.6
200.04626	7.9
201.00668	6.1
201.05388	31.0
201.09135	8.6
203.03465	4.6
203.07005	100.0
205.05000	9.3
212.04659	20.3
213.05481	20.0
214.06213	14.9
215.06999	7.0
217.05061	16.4
217.08560	27.4
217.13358	18.9
219.01724	6.5
219.06512	22.4
227.07027	95.3
227.11789	4.1
229.04982	6.3
229.08559	26.5
230.05774	6.7
231.01752	14.9
231.06499	72.1
241.05016	10.2
245.08073	95.1
245.12842	29.3
247.06050	8.4
249.02820	26.3
249.07593	15.2
255.06551	9.2
259.06082	7.4
261.07504	4.2
261.12347	3.6
263.09277	5.1
267.03885	4.0
273.07568	56.5
273.12262	46.8
291.08664	61.1
291.13385	46.3
291.19583	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	291.0862
Annotation	Altenusin
Peak:m/z	Relative Intensity
50.53206	2.2
55.01880	13.1
55.05513	5.3
56.96563	33.5
65.03929	2.6
67.05497	8.0
69.03425	4.6
69.07067	3.7
69.34152	2.3
70.06577	10.1
71.04978	6.3
73.02906	13.2
79.05482	7.2
81.03402	4.3
81.07052	8.3
83.04951	2.3
84.08128	3.4
85.02906	8.2
89.03907	5.0
90.79807	2.6
91.05473	6.8
93.07040	6.8
95.04921	2.7
95.08611	6.2
97.02881	5.4
97.06536	2.8
98.97585	100.0
103.05466	9.3
105.07008	5.7
107.04954	3.2
107.08552	4.8
109.02834	2.6
110.97569	6.1
111.04456	2.9
112.99065	3.0
115.05450	26.8
116.98629	49.8
117.03352	9.2
117.07027	6.2
118.04189	2.7
119.04966	3.7
121.10101	2.9
123.04436	4.3
124.99127	5.6
128.06239	5.1
128.98593	11.7
129.05479	2.5
129.07024	15.5
131.00165	3.7
131.04939	13.1
131.08635	2.3
132.05731	2.4
134.99644	14.6
135.04427	5.3
135.08031	2.7
135.11642	3.0
137.05946	6.1
139.05431	4.3
140.07137	2.4
140.98647	2.9
141.06976	16.1
143.00179	17.3
143.04919	26.5
144.05759	3.3
144.06831	2.3
145.02869	6.6
145.06483	3.1
146.03635	11.6
146.99719	2.8
147.04373	9.3
147.08034	2.9
149.01274	2.9
149.05962	24.6
151.03893	4.0
153.05524	3.1
153.06967	2.0
155.04865	2.9
156.05705	3.0
157.06482	23.3
157.07622	5.4
158.03600	2.5
158.07310	3.2
158.99635	11.2
159.04433	5.0
159.49644	2.4
160.05219	17.7
161.01234	26.5
161.05978	29.8
163.03917	14.5
163.07533	3.4
167.04904	4.7
169.06474	15.0
170.99684	15.6
171.04405	21.0
172.05219	3.0
173.05966	4.3
174.06775	7.0
175.03877	4.3
175.07535	61.1
175.08987	3.6
177.00719	11.3
177.05450	31.0
178.06265	10.9
179.02290	2.9
182.99669	9.5
184.05252	16.2
185.05989	25.9
186.03062	6.9
186.06839	4.9
187.03865	13.4
187.07513	13.5
188.04683	10.4
188.09424	3.0
189.00714	27.3
189.05481	16.9
189.09096	9.4
191.07016	9.0
195.04449	3.0
197.05937	4.6
199.03911	10.3
199.07556	9.8
199.12309	12.8
200.04736	3.9
201.00711	21.6
201.05406	35.7
201.09102	6.2
203.03407	6.8
203.06992	74.0
203.08711	4.1
204.04195	3.1
205.04913	5.1
207.01678	4.0
212.04721	23.5
213.05473	15.7
214.06274	7.5
214.11028	3.3
215.07031	8.8
217.05038	22.4
217.08562	21.8
217.13318	3.9
219.01781	19.3
219.06485	20.0
221.08134	4.1
227.07024	72.2
228.10251	3.3
229.05043	4.9
229.08577	24.4
230.05685	8.4
231.01721	5.1
231.06506	51.3
232.07285	4.9
241.04990	7.2
245.08083	83.6
245.12489	11.8
247.06079	5.6
249.02853	20.8
249.07669	8.3
255.06477	8.4
255.11075	3.9
259.05997	10.4
263.09128	4.6
267.03845	8.1
273.02527	2.8
273.07642	46.4
273.12317	65.4
274.10849	4.1
291.03821	2.9
291.08621	50.4
291.13382	44.4
291.16699	4.2
291.19470	7.0
291.22519	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92774	17.5
61.39634	19.0
69.83684	100.0
69.84055	39.9
75.55139	18.3
78.44934	17.8
85.65090	18.9
86.67501	16.0
91.47349	18.0
146.52203	18.1
184.14610	26.0
291.08182	68.7
291.10583	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25918	1.0
55.01857	2.6
55.05512	10.4
56.96567	21.6
57.07062	3.8
60.78640	1.0
67.05500	16.1
69.03418	2.0
69.07066	19.0
71.04971	2.7
71.08620	2.0
71.95276	1.2
79.05490	12.7
81.03417	1.6
81.07057	38.0
82.07370	1.5
83.04965	2.7
83.08614	7.9
84.96037	4.2
85.02888	1.5
85.06519	4.3
85.21310	1.2
91.05494	8.6
93.07040	24.1
95.04948	3.1
95.08037	2.1
95.08607	28.9
95.82956	1.1
97.02176	1.1
97.06522	5.8
97.10165	3.9
97.66932	1.1
98.97582	100.0
99.08060	2.6
105.07026	12.8
107.04939	2.7
107.08590	21.3
109.06519	3.4
109.10160	17.0
110.97567	36.6
111.08085	2.4
111.11739	1.4
112.99131	3.6
113.09596	1.2
116.98619	39.9
117.07008	3.7
119.08578	11.1
121.06520	2.1
121.10140	15.4
123.08051	5.1
123.11710	9.6
124.99129	6.2
125.09605	2.1
128.98607	37.5
129.06999	1.9
131.00160	4.2
131.08536	4.8
133.10159	7.6
134.99658	7.9
135.08066	2.6
135.11716	10.0
137.09634	2.5
137.13277	2.6
140.00139	2.8
140.98576	3.2
143.00171	15.8
143.08568	2.2
144.98055	1.7
145.10095	3.1
146.99654	13.8
147.08072	1.6
147.11697	6.5
149.01237	1.6
149.09630	2.3
149.13263	15.7
151.11182	2.3
152.00226	1.8
152.98607	1.6
155.00150	2.8
157.10109	2.2
158.99663	6.9
159.11678	2.6
161.01230	12.7
161.09637	2.1
161.13255	3.3
162.99039	1.4
163.03882	1.3
163.11165	1.8
163.14813	6.1
170.99666	24.0
171.11633	1.9
173.01208	4.7
173.13304	2.0
175.14798	2.6
177.00719	5.0
177.16365	2.0
179.02263	1.8
182.99670	5.9
184.02820	1.3
185.01212	1.5
185.13252	1.2
189.00703	25.2
189.12648	1.7
189.16374	2.4
191.14378	1.9
191.18021	1.5
201.00691	17.7
203.17926	2.3
207.01720	3.6
212.02335	2.5
213.00598	2.0
213.16341	1.3
217.19479	1.6
219.01755	9.4
227.14185	1.4
231.01762	15.1
233.15340	3.6
249.02827	46.6
255.17329	2.2
267.03851	6.3
272.04382	4.0
273.18457	5.4
273.25806	5.3
278.74371	1.4
291.03781	1.3
291.15927	2.5
291.19516	14.4
291.22702	2.0
291.23294	2.2
291.26743	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	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.6
56.96565	19.6
57.07071	3.8
61.62182	1.9
67.05519	12.0
69.07063	14.4
70.06861	7.2
71.08643	2.4
71.87572	1.8
79.05510	9.3
79.24538	1.7
79.28159	1.9
81.07059	31.9
83.08614	6.3
84.49643	1.6
84.96021	3.9
85.06523	5.3
91.05466	5.0
93.07058	16.1
95.05007	2.7
95.08606	29.5
97.06472	2.3
97.10197	5.1
98.20792	2.5
98.97586	100.0
101.07739	1.8
105.07007	8.7
107.08600	14.8
109.10159	15.9
110.97565	59.9
111.11712	2.4
112.99182	2.3
116.98617	26.3
117.06998	1.9
119.08593	10.7
121.10138	12.7
123.08059	3.4
123.11730	8.9
124.99134	5.8
128.98604	34.4
131.00128	3.0
131.08572	3.2
133.10139	6.4
134.99681	4.4
135.08044	5.3
135.11690	8.2
137.09608	2.5
139.11252	2.0
140.00179	2.1
143.00183	12.8
144.98085	4.0
145.10123	2.9
146.99670	8.8
147.11673	7.6
149.13284	6.6
155.00111	4.6
158.99669	7.0
159.11719	2.2
161.01208	8.3
161.13202	3.3
163.14821	3.8
165.09048	2.5
170.99635	27.1
173.01216	5.1
177.00798	3.2
177.16396	3.4
182.99678	7.8
189.00740	20.3
201.00737	8.9
203.17935	4.1
213.00723	2.6
219.01740	2.7
231.01762	15.4
249.02849	54.2
267.03836	8.2
272.04407	4.0
273.18420	3.0
273.25616	3.1
291.19699	2.6
291.23413	3.3
291.26797	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01861	1.3
55.05509	1.4
56.96564	46.3
60.87417	0.7
64.41499	0.8
67.05495	1.8
69.03416	2.2
69.07054	2.3
69.42168	5.4
71.95243	2.6
73.02905	1.4
74.16041	0.7
79.05500	1.9
79.84064	0.8
81.03411	6.1
81.07036	2.0
83.04975	1.3
84.95571	1.1
84.96037	12.5
85.02914	1.8
85.06572	0.9
91.05476	2.2
93.07034	1.4
95.08607	1.5
97.02901	0.8
97.96804	1.9
98.97583	92.5
102.97081	1.3
103.05451	1.1
105.07011	1.3
107.04893	0.9
107.08562	1.1
109.10205	1.4
110.97568	55.5
112.99129	16.6
113.37878	0.7
115.05452	1.8
116.98624	47.0
117.06949	1.1
119.00153	1.0
119.08530	1.3
124.99110	1.1
126.97035	1.6
128.98608	62.1
129.06969	1.5
130.99182	1.4
131.00168	20.0
131.04918	1.1
133.10106	0.8
134.99649	13.7
135.08066	1.0
135.11795	0.7
136.99162	0.7
140.00179	1.7
140.98595	2.8
141.05638	0.7
141.06989	1.5
143.00166	3.6
143.04863	0.9
144.98085	7.3
145.06467	1.0
146.99654	36.1
147.04350	1.2
147.11606	0.8
149.01189	10.3
149.06029	1.5
151.07442	0.8
152.00218	1.7
153.00677	0.8
153.06906	0.8
155.00150	3.4
157.06454	1.9
157.07625	1.4
157.10104	1.0
158.99657	8.3
160.05228	0.9
161.01241	5.5
161.06013	1.6
162.99146	5.6
165.00700	3.9
167.02298	1.3
169.06517	1.2
170.01208	1.2
170.99654	40.1
173.01236	10.4
175.07504	2.1
177.00705	8.3
177.05453	2.9
178.06238	1.1
179.02298	1.4
181.00211	1.5
181.08594	3.4
182.36444	0.9
182.99606	1.5
186.99142	3.1
187.03896	1.3
189.00710	100.0
191.02287	4.4
193.08488	0.8
199.12393	1.7
201.00682	4.3
201.05441	1.6
203.02213	1.0
203.06979	1.7
205.00198	1.4
207.01785	19.0
212.02309	6.1
212.04370	1.3
213.00743	4.3
213.05647	0.9
217.04945	1.0
217.08507	1.8
219.01694	1.7
219.06538	1.3
225.02754	0.9
227.06947	1.7
229.08618	1.1
231.01755	13.2
231.06479	2.4
231.10188	1.1
237.14662	1.1
245.08096	4.4
245.12810	2.3
246.11290	1.4
249.02814	23.8
255.11092	1.1
267.03915	7.8
272.04514	1.2
273.07581	2.2
273.12344	11.5
291.03815	1.2
291.08591	1.0
291.10358	2.1
291.13327	10.2
291.16422	1.6
291.19653	1.7
299.26813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.70146	0.4
55.01850	0.4
55.05511	1.4
56.05031	2.5
56.96569	4.4
57.07079	2.2
58.06594	1.5
60.04535	0.8
65.03936	1.2
67.05163	0.5
67.05511	8.2
69.07076	4.2
71.08633	1.2
71.60479	0.5
74.06094	2.1
77.95232	0.4
79.05485	2.5
81.07055	2.1
82.06593	2.8
83.04995	0.7
83.08624	1.2
88.07085	0.6
88.07627	8.6
91.05462	1.0
93.03416	2.3
93.07051	3.4
95.08587	2.5
97.06530	1.8
97.47359	0.5
105.07039	0.7
107.08598	3.5
109.10143	1.2
110.06044	28.7
111.04440	10.3
111.08073	0.5
117.07026	0.6
118.08637	1.2
119.08579	0.4
122.08160	1.5
123.04416	1.6
133.10110	0.8
135.11719	4.1
137.05966	1.8
138.05501	100.0
145.06541	0.7
153.98425	0.4
163.07556	1.9
168.13858	0.8
175.07588	0.8
206.34201	0.4
226.11140	16.0
228.23195	0.5
242.24797	10.2
244.12239	7.0
249.13022	1.0
267.13815	0.7
272.25763	0.6
273.14798	0.7
280.64963	0.4
290.17621	5.8
290.26868	24.1
311.72067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96141	2.0
56.96569	53.5
68.01033	2.0
70.67641	2.2
71.37606	2.1
71.60779	2.9
74.06067	2.4
74.71582	1.9
84.96032	3.1
95.99072	2.7
98.97567	9.1
102.96923	2.8
110.97545	3.1
116.98535	5.6
124.99123	32.1
127.03936	3.6
143.00168	76.9
144.98132	3.4
152.98625	4.7
156.97977	3.1
157.01671	2.9
158.99536	2.4
159.03336	2.4
160.97520	4.7
161.01222	50.2
163.03946	12.5
164.04250	2.7
167.00124	4.4
169.01753	2.8
170.99707	15.5
171.08908	2.2
175.96150	2.5
178.98550	4.2
179.02235	6.5
185.01196	16.9
189.00760	24.4
202.98531	13.7
203.02269	10.4
207.01768	4.4
212.02357	2.9
213.00612	4.9
231.01758	9.0
249.02838	65.6
249.05414	3.4
267.00201	5.5
267.03888	100.0
272.04413	26.1
285.04916	49.4
290.05396	23.8
290.12814	8.9
304.65152	2.4
308.06488	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03938	2.4
55.05513	16.0
56.96532	0.8
57.03434	1.1
57.07086	5.5
59.04980	0.8
59.15640	0.8
65.03930	2.2
67.05505	34.7
69.03420	1.9
69.07068	28.0
69.95056	3.6
71.04996	1.5
71.08627	1.3
78.59054	0.8
79.05495	22.2
81.07056	74.1
83.05009	1.4
83.08614	9.0
85.02895	1.5
85.06537	20.3
91.04952	1.5
91.05479	20.4
93.07042	40.8
95.04960	2.8
95.08606	65.8
97.06546	2.6
97.10168	5.2
98.97542	1.8
99.04446	1.2
99.08092	10.9
105.07033	40.0
105.49144	0.9
107.08593	42.0
108.98959	0.8
109.06506	1.7
109.10155	34.8
109.10918	1.6
111.08076	4.4
111.11700	1.6
113.09643	3.5
117.07011	4.6
119.08585	36.3
119.09447	2.0
121.09297	1.7
121.10144	28.7
121.11015	1.5
123.11705	15.4
125.09614	4.8
126.52409	0.9
127.03958	1.9
129.06999	1.0
130.07849	1.4
131.08568	12.5
133.10127	28.4
135.08081	1.0
135.11691	24.0
137.09636	2.0
137.13242	3.9
139.11177	3.5
143.08578	1.5
144.09265	0.8
145.10118	18.0
146.10962	0.9
147.11690	30.7
149.12149	1.6
149.13268	20.4
151.11151	1.2
151.14804	1.2
153.01935	0.8
159.11691	17.7
161.13252	29.6
163.11153	1.2
163.14816	11.5
165.12744	1.9
173.13264	14.4
175.13292	1.0
175.14821	17.1
177.16356	5.1
179.14304	2.3
181.15839	1.7
187.14819	9.4
189.16399	12.3
191.17958	3.2
193.15887	3.4
201.16408	7.4
203.17967	3.5
207.17393	2.6
215.17955	10.9
217.19489	1.9
219.17470	1.8
229.19569	3.3
231.21149	3.1
233.19095	1.7
243.21082	1.0
245.22737	1.4
247.20456	1.1
271.21219	1.2
271.24170	17.0
289.25253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03944	1.5
55.01870	1.3
55.05254	1.0
55.05509	14.6
56.64244	0.6
57.03426	0.9
57.07066	5.5
65.03911	1.1
67.05505	30.5
67.05866	1.6
69.03415	1.4
69.07067	21.9
69.94719	1.4
69.95111	2.0
71.04981	2.2
71.08624	1.1
79.05490	22.2
81.07055	68.5
83.04993	1.1
83.08617	5.9
85.06061	1.1
85.06544	20.9
91.05475	16.0
93.07044	34.5
95.04913	1.1
95.08604	62.5
97.06537	1.6
97.10165	5.0
98.21368	1.5
99.08089	10.9
101.47839	0.7
103.05455	0.7
105.07027	35.3
107.08593	36.4
109.06541	1.3
109.10153	31.0
111.08086	3.8
111.11716	2.6
113.09645	4.7
117.07024	4.4
119.08577	32.8
121.10152	27.8
123.08051	1.2
123.11710	14.6
125.09584	4.0
129.06987	1.0
130.07797	1.3
131.08556	10.3
133.10126	26.0
135.11687	23.8
137.09607	1.6
137.13249	3.1
139.11179	3.1
144.09302	0.9
145.10127	15.3
147.11687	28.6
149.12158	1.4
149.13260	19.0
151.11177	1.6
151.14809	1.5
153.12654	1.4
159.11694	16.2
161.11938	1.6
161.13249	25.3
163.14809	9.8
165.12730	1.2
173.13268	10.7
175.14819	19.3
175.16261	1.5
176.18346	0.8
177.16414	5.0
179.14275	1.9
181.15907	1.0
187.14827	6.1
189.02185	0.7
189.16380	12.2
191.17903	2.3
191.61986	0.8
193.15852	3.5
195.17419	1.0
201.16393	7.3
203.17921	3.1
207.17439	2.1
215.17958	8.3
217.19569	2.3
219.17451	0.9
229.19508	2.1
231.21120	2.3
233.19038	2.5
243.21127	1.0
247.20607	0.8
271.24213	19.8
279.95200	0.7
289.25253	100.0
290.25674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03943	1.3
55.01866	0.8
55.05262	0.9
55.05512	14.4
56.84306	0.8
57.03428	2.0
57.07076	5.6
65.03925	1.6
66.82394	0.8
66.99938	0.8
67.05172	1.7
67.05508	29.4
69.03414	2.5
69.06715	1.4
69.07070	22.5
69.94731	1.9
69.95135	3.3
70.22266	0.8
71.04977	1.8
71.08633	1.3
79.05492	18.3
81.07056	69.3
83.04960	1.7
83.08614	7.2
85.06547	17.5
85.44347	0.9
87.76730	0.8
91.04957	1.3
91.05478	17.6
93.07049	39.5
95.04967	1.7
95.08607	60.2
97.06511	1.9
97.10175	4.3
99.08096	11.5
102.52436	1.0
103.05452	1.1
105.07029	35.1
107.08595	38.1
109.06511	1.6
109.09442	1.6
109.10159	32.7
111.08080	3.1
111.11711	2.0
113.09661	4.1
117.07005	4.3
119.08580	32.2
121.06545	1.1
121.10149	28.5
123.08036	1.4
123.11717	14.9
125.09624	4.9
129.07094	1.2
131.08578	11.0
133.10133	28.0
135.07993	1.3
135.11702	22.3
137.13231	3.7
139.11172	3.0
145.09027	1.3
145.10121	16.9
147.11693	25.8
149.13261	22.7
151.11145	1.8
151.14790	1.7
153.01816	7.6
157.10123	1.6
159.11687	19.4
161.13266	29.5
163.03909	3.4
163.14819	9.7
165.12747	1.7
173.13261	13.7
175.14825	16.3
177.16406	3.6
179.14296	2.7
187.14871	9.9
189.16373	12.2
191.17899	1.9
193.15871	3.4
201.16386	7.3
203.18005	3.0
207.17415	2.9
215.17908	9.6
217.19565	2.2
219.17500	1.2
229.19574	2.8
231.21196	2.0
233.18999	1.8
243.21069	1.6
262.81281	0.9
271.24191	20.3
271.26956	1.4
289.06934	5.5
289.25256	100.0
290.25461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88153	3.8
53.03948	5.8
55.01871	9.1
55.05511	11.9
55.83492	4.3
56.96567	8.0
61.87724	3.7
67.05516	25.0
69.03415	10.9
69.07064	17.6
69.44379	36.1
71.04990	12.7
72.28145	3.8
79.05475	24.2
81.07053	57.9
83.05003	22.0
83.05396	4.6
83.08622	6.5
85.06535	11.3
91.05485	26.4
93.07047	74.3
94.05134	4.0
95.04974	21.4
95.08602	56.8
97.06522	33.1
98.97572	13.0
99.04443	29.8
105.07036	38.9
107.08597	36.8
107.86417	4.4
109.06488	35.3
109.10146	17.5
111.08050	30.1
113.05949	7.3
117.05505	5.9
117.06986	5.5
119.08567	29.4
121.06512	89.4
121.10129	15.8
123.04437	5.5
123.08038	8.6
123.11709	9.4
125.05988	14.3
127.07565	13.3
129.06979	5.6
131.08568	7.2
133.06461	5.0
133.10138	30.5
135.04308	5.0
135.08051	21.3
135.11711	4.9
137.05988	19.1
139.07509	26.8
141.05563	5.5
142.07773	6.5
143.07042	16.2
143.08556	7.1
145.10121	11.9
147.08099	8.8
147.11691	52.7
149.09590	7.6
149.13237	5.9
151.11166	5.8
153.01842	8.7
157.08614	11.3
157.10124	16.1
159.06552	12.1
161.05913	9.2
161.13245	13.5
162.55583	4.2
165.12720	17.4
167.08516	5.2
169.12247	19.4
171.11696	18.0
173.13229	4.4
175.11220	40.1
187.18835	4.5
189.12733	26.7
191.42976	4.3
193.12245	38.3
199.11217	26.6
207.13808	17.9
211.13269	34.8
217.12244	97.3
225.14755	5.4
229.14322	15.9
235.13287	100.0
253.14345	49.7
271.17020	6.2
289.07104	5.2
289.10638	7.3
289.18011	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	289.1797
Annotation	Nocarasin B
Peak:m/z	Relative Intensity
53.03929	1.8
55.05511	5.8
57.03424	3.3
57.07073	8.3
59.04989	5.4
67.05507	7.9
69.03409	2.6
69.07071	7.8
69.63405	2.6
69.63811	4.8
71.04971	3.9
79.05489	9.4
81.03391	1.2
81.07054	25.9
83.04979	2.8
83.08590	3.8
85.02895	4.3
85.06530	6.2
91.05479	13.6
93.07043	14.9
94.06521	1.3
95.04971	5.7
95.08050	1.1
95.08611	15.1
96.08103	2.7
97.02863	1.2
97.10141	1.8
98.97591	1.9
99.08121	1.6
103.05457	2.1
105.07022	14.8
106.06558	2.0
107.04925	4.4
107.08598	12.3
109.06514	28.1
109.10155	8.2
111.04412	1.3
111.08066	1.8
115.05444	1.9
117.05746	1.6
117.07016	6.1
118.06535	5.2
119.08578	21.7
120.08109	14.5
121.06490	2.9
121.10151	9.5
123.08025	3.6
123.11691	4.0
124.07589	10.3
125.09603	1.7
126.09128	1.8
128.06195	1.8
129.06995	3.5
130.07744	3.1
131.08565	13.0
133.06461	1.8
133.10123	9.6
134.06006	5.4
135.08078	6.6
135.11678	4.9
136.07588	6.5
137.05966	6.8
138.05501	1.5
142.07788	1.7
143.08536	3.5
145.06502	2.3
145.10123	18.5
146.06026	6.2
147.06897	2.2
147.08032	12.5
147.11682	6.3
148.07565	10.7
149.05995	1.3
149.09601	6.3
149.13234	4.4
150.09155	2.0
151.03880	1.6
151.07512	3.5
152.07077	1.1
153.01898	1.2
154.07797	1.7
155.08481	3.4
156.09296	1.1
157.10120	3.9
158.07214	1.2
158.28117	0.9
159.08018	8.4
159.11702	11.5
160.08826	1.4
161.09634	5.5
161.13245	4.1
163.11189	3.3
163.14777	2.3
164.07062	100.0
165.07751	1.5
165.09050	1.2
166.08614	3.2
169.10152	4.1
170.10909	2.6
171.07951	1.4
171.11682	7.2
172.08820	2.5
173.09601	10.6
173.13268	2.9
175.07562	2.0
175.11151	1.5
175.14810	2.8
179.14287	1.1
181.10097	1.3
183.11705	2.3
185.13394	2.4
187.11153	4.5
187.14771	3.0
189.09052	4.0
189.16353	2.3
190.09943	1.3
191.10643	4.5
196.12378	2.4
197.09579	3.1
201.09099	1.5
201.16292	1.3
203.10669	4.6
205.12241	3.6
210.05511	1.2
211.14835	8.7
213.12691	3.4
215.10588	6.5
215.17862	1.2
216.10170	2.0
225.16185	1.3
229.13794	1.0
229.15869	26.8
233.11711	53.4
243.14951	6.4
243.21013	1.3
245.16444	1.7
247.16913	5.5
253.13379	1.7
253.15831	2.5
254.11723	2.2
271.14352	23.5
271.16953	12.5
271.24146	3.4
289.15335	62.9
289.18011	84.9
289.25046	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.01858	0.5
56.96567	0.3
57.03428	0.5
61.02920	0.7
62.08495	0.2
67.35729	0.3
69.03430	2.1
69.99133	1.3
73.02931	0.3
81.03408	1.0
83.01337	0.3
85.02905	4.9
89.21336	0.3
91.84962	0.3
95.04977	0.3
97.02905	1.8
98.97575	0.7
109.02869	1.2
110.97642	0.3
126.05513	0.5
127.03917	100.0
128.04248	0.7
145.04953	0.8
151.74043	0.3
197.08006	0.3
289.08963	0.7
289.12582	11.0
297.80264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01854	6.2
55.05502	10.8
67.05502	17.2
69.06717	2.7
69.07047	16.0
69.48425	19.5
70.45653	2.3
71.04985	7.1
79.05486	23.2
81.06573	3.3
81.07053	53.3
81.07517	5.7
82.61552	2.7
83.04981	15.0
83.08601	6.7
84.34482	2.4
85.06527	9.7
91.05479	14.6
93.07042	61.4
95.04996	13.7
95.08596	32.2
97.06540	33.1
98.20783	5.8
99.04453	12.4
105.06353	3.8
105.07026	33.7
107.04936	6.2
107.08593	28.3
109.06521	32.5
109.10159	4.9
111.08072	20.5
113.06024	4.8
119.08601	18.9
121.06507	82.3
121.10162	5.2
123.04414	4.6
123.08100	7.4
123.11710	8.3
125.05968	10.4
127.07549	9.7
128.25060	2.9
131.08549	4.4
133.06418	4.9
133.10109	23.2
135.04399	4.6
135.08032	12.4
137.05975	4.4
139.07533	21.4
141.05489	3.0
142.07727	3.5
143.07021	9.0
143.08545	6.9
145.10080	8.5
147.08026	4.6
147.11676	47.5
149.13219	3.2
151.07541	3.7
151.11185	3.8
157.08595	13.4
157.10092	11.1
159.06596	2.9
161.13252	9.2
165.12787	22.3
169.12227	10.7
171.11664	15.9
175.11198	34.5
181.10065	2.8
189.12733	34.5
193.12247	34.2
199.11201	28.9
207.13834	21.8
211.13344	23.5
217.10139	5.8
217.12244	100.0
225.14656	3.9
229.14407	7.1
235.13284	82.4
253.14343	38.7
296.18033	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03951	0.7
56.96563	1.3
57.03426	0.6
61.02917	0.9
61.84264	0.3
64.99722	0.4
69.03429	2.2
70.06618	0.3
71.04989	0.5
71.60703	0.4
72.08113	0.4
73.02927	0.7
81.03406	1.3
81.07040	0.3
85.02905	5.1
91.03882	0.4
97.02889	1.9
98.97565	1.5
98.98492	0.4
99.04481	0.5
109.02869	1.3
110.97556	0.3
116.98607	0.6
117.03322	0.3
127.03913	100.0
128.04253	0.6
135.04413	1.2
139.03912	0.5
143.00133	0.6
145.04999	0.8
163.03876	1.8
234.99022	0.6
249.02745	0.4
267.03918	0.5
289.12573	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.7
56.96555	16.4
57.03432	7.6
61.02919	5.2
69.03420	12.7
69.63826	7.2
69.64240	14.2
70.06586	5.6
71.41231	3.1
71.69592	3.6
73.02904	6.1
81.03414	5.7
82.99834	7.9
83.09034	3.3
85.02907	28.3
87.04451	3.5
88.87238	3.7
97.02901	17.6
98.97560	13.6
101.00876	47.7
103.02428	4.3
109.02857	5.9
110.97552	6.4
113.00854	14.1
115.02422	18.5
119.01923	58.0
126.05492	7.3
127.02367	4.6
127.03886	14.4
131.01907	31.4
133.03464	15.4
137.02913	6.1
143.01881	23.7
143.05530	4.3
145.03450	28.2
147.05014	6.0
153.05762	10.4
155.01880	15.8
157.03448	18.7
158.99655	6.3
159.05025	4.5
161.02939	32.5
161.06586	11.1
163.04489	10.1
169.03391	10.0
171.01355	4.5
173.02971	17.6
175.04457	8.0
177.00717	6.9
183.05016	7.3
185.02844	4.8
187.00862	12.5
187.04512	55.2
189.02403	3.4
191.04034	8.4
199.00917	7.9
199.04514	34.7
201.06078	10.5
203.04031	8.6
205.00166	5.2
205.05553	12.3
211.04456	9.3
215.00357	9.7
217.01904	13.1
217.05569	10.5
219.03513	7.6
221.05057	10.9
223.04591	5.8
223.06638	5.6
229.05519	20.5
237.02769	5.7
247.02931	11.6
259.06476	3.8
289.07376	100.0
305.10892	5.8
307.05508	7.3
307.08710	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.05512	23.2
56.69072	3.0
56.96555	7.4
57.07063	6.6
63.00043	5.1
67.05170	3.4
67.05510	54.9
69.03434	3.9
69.07072	27.6
70.56255	11.8
71.04989	6.4
71.67805	3.4
79.05502	21.6
80.92954	2.8
81.07061	53.5
83.04973	5.4
83.08605	18.5
85.06565	7.5
89.57330	2.6
91.05464	22.8
93.07053	31.0
95.04942	6.4
95.08615	56.7
96.17702	3.1
97.06534	9.5
97.10172	10.0
98.98454	4.1
105.07054	18.9
105.22219	3.2
107.08583	29.0
109.10165	37.8
111.08142	3.3
116.98650	4.3
117.07024	11.9
119.08598	32.8
121.10149	26.0
123.08044	3.6
123.11702	14.4
125.09592	5.9
128.06224	4.3
128.51616	3.1
129.06995	6.5
130.93260	4.4
131.05008	4.6
131.08601	15.8
133.10135	19.9
135.11674	10.7
137.09627	5.0
143.08563	9.4
145.10138	22.2
147.04391	5.7
147.11702	12.5
149.05984	5.4
149.09560	5.8
149.13266	5.1
156.09352	6.5
157.10139	14.3
159.11728	17.3
161.13248	5.2
163.07538	5.1
163.14832	4.0
169.10170	3.3
171.01392	7.3
171.11723	26.8
173.09546	3.2
173.13252	32.5
183.11674	5.5
185.13268	14.2
190.95403	11.2
191.07051	25.7
199.14787	12.4
203.03375	16.5
205.12202	21.3
213.16422	5.3
215.17953	10.5
217.12288	9.5
231.13873	3.5
232.96463	5.4
233.19000	12.7
241.19527	100.0
243.21132	3.4
251.17673	3.4
251.20094	44.0
259.20547	13.3
261.13321	5.6
269.18784	6.5
269.21304	5.2
274.33429	3.3
287.05496	23.1
287.12976	19.4
287.15619	4.0
287.16910	4.9
287.20148	79.7
287.23596	12.9
287.27097	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	287.2216
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.05299	4.2
55.05508	44.4
56.96561	27.2
57.07071	34.2
59.81900	4.2
64.99757	4.7
67.05500	44.1
69.07072	62.3
71.04996	5.9
71.08610	13.1
71.61221	4.6
71.61653	5.3
72.08144	12.3
79.05495	29.5
81.07052	58.4
83.08627	41.1
85.06510	6.7
85.10172	10.2
90.09171	11.6
91.05470	20.4
93.07049	54.0
95.08031	7.9
95.08603	100.0
97.06546	22.2
97.10157	18.6
98.97615	5.1
98.98415	5.4
99.08083	7.4
101.44977	4.5
105.07022	26.7
107.08578	38.1
109.10150	37.5
111.08071	9.0
111.11680	5.9
117.06991	14.0
119.08580	39.0
121.10146	36.8
123.11681	14.1
125.09621	9.8
128.06149	4.6
129.06985	13.7
130.93326	4.7
131.08539	17.2
133.10103	17.1
135.11674	32.1
139.11134	8.6
143.08548	14.5
145.10101	35.4
147.11659	19.0
149.13275	22.0
151.11099	4.1
151.47704	4.3
153.12770	6.8
157.10075	18.8
157.73643	4.2
159.11673	17.6
160.39861	4.2
161.09636	4.6
163.14790	5.5
171.11678	52.1
172.94359	11.2
173.13219	19.0
185.13245	14.8
190.95409	15.3
199.14790	12.2
201.16441	5.4
205.19559	21.0
208.96510	10.4
213.16367	8.0
215.17935	8.6
217.12242	8.0
223.20518	17.6
232.96495	9.2
234.16382	12.7
241.19478	91.9
243.20918	6.4
245.15414	5.3
250.97607	6.3
251.20047	6.8
269.18997	6.7
287.05450	22.2
287.19553	46.7
287.22781	23.6
287.28366	7.0
287.31354	84.2
299.54105	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	287.2005
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.05518	6.8
56.96561	5.3
57.07069	2.8
62.53891	1.2
63.00051	2.1
63.05535	1.3
63.57290	1.2
67.05499	7.5
69.07072	5.9
70.66531	4.1
79.05486	6.2
81.07059	9.0
81.95737	1.3
83.08623	5.2
91.05482	10.1
93.07027	9.9
95.08603	19.4
95.43368	1.2
97.10166	1.7
97.85107	1.4
98.20839	1.8
98.98433	1.9
105.07033	14.2
107.08593	11.9
109.06487	1.7
109.10165	7.3
110.28781	1.4
117.07005	7.8
119.08577	15.3
121.10151	7.1
123.11716	3.0
123.27222	1.4
128.06187	2.9
129.07008	13.8
130.07793	1.3
131.08577	11.4
133.10120	8.4
135.08035	1.9
135.11700	5.2
142.07758	2.6
143.08563	9.8
145.10114	16.8
147.08058	1.4
147.11684	7.4
149.13324	2.7
156.09337	2.8
157.10121	10.5
159.11720	8.9
161.09630	2.0
161.13293	2.3
169.10066	2.6
171.11691	37.7
173.13255	13.6
185.13303	12.4
187.11198	2.0
187.14790	2.3
190.95424	3.1
197.13330	2.5
199.14847	15.3
205.12276	2.6
211.14813	2.3
213.16408	2.9
217.12250	4.5
219.13776	3.5
230.24829	5.7
231.13823	1.9
232.96449	2.5
241.19518	100.0
243.21045	2.0
254.67769	1.8
259.20551	2.4
263.68784	2.3
269.19006	4.2
287.05432	9.0
287.20084	40.2
287.23538	4.3
287.31363	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01875	2.3
55.05510	1.9
56.96569	2.9
57.03437	2.8
65.03948	1.4
67.05511	7.1
69.03423	1.9
69.07066	2.6
69.34065	9.8
71.04998	3.0
73.02935	1.5
75.03819	1.0
79.05500	11.9
81.07063	9.0
81.79945	0.9
83.04971	3.2
83.08610	1.0
85.02893	3.0
85.06551	1.9
91.05473	12.6
93.07050	6.0
95.01334	2.1
95.04962	4.2
95.08606	7.8
97.02917	1.3
97.06528	2.1
98.97584	6.0
99.08115	1.6
103.05470	15.2
105.03413	1.0
105.07034	14.5
107.04958	58.0
107.08606	4.0
109.06528	6.2
109.10166	2.9
110.97593	1.4
111.04459	2.6
115.05459	4.3
116.98656	2.0
117.07024	3.7
119.04959	1.6
119.08601	3.9
120.05734	3.1
121.02934	1.1
121.06508	12.9
121.10146	3.6
121.35995	1.0
122.03631	2.5
123.04433	5.0
123.08081	2.0
124.05209	2.9
125.05973	1.6
128.06281	1.0
128.98650	1.4
129.07042	1.8
131.04932	10.2
131.08577	2.8
133.02898	1.5
133.06490	3.4
133.07475	1.0
133.10106	2.7
134.03618	2.0
135.04428	1.3
135.08055	26.8
135.11716	2.3
137.05983	27.4
137.21352	1.3
139.07527	1.5
141.06998	1.9
143.01955	1.3
143.08566	1.6
145.06477	4.5
145.07518	1.4
145.10110	1.9
147.04437	4.5
147.08044	1.2
147.11722	1.3
148.05209	2.1
149.05986	17.5
150.06784	1.7
151.07542	16.1
152.04858	2.0
152.06203	13.2
153.06996	2.0
154.06218	3.3
156.09344	2.0
157.06511	1.3
157.10080	1.2
158.99655	2.2
159.04405	1.6
159.11710	1.8
161.02852	1.0
161.05995	3.3
161.13258	1.1
162.06821	1.1
163.03967	2.4
163.07553	65.6
165.05644	2.2
165.07027	7.9
165.09134	5.2
166.07765	10.3
167.07053	100.0
167.08575	43.2
168.07742	1.5
169.06451	4.7
170.99623	1.1
171.08090	1.3
174.06795	4.0
175.07463	1.6
175.14795	1.2
176.06351	1.3
176.08067	1.0
176.15018	1.1
177.00737	2.3
177.05632	1.3
177.07022	4.4
177.09090	1.9
180.07872	2.7
181.06480	4.0
181.10147	3.1
183.08060	2.1
184.05234	0.9
184.08815	2.2
187.07561	1.5
189.05338	1.0
189.09074	6.0
191.07071	2.4
193.08636	3.0
194.07317	4.6
195.08078	55.2
195.10176	29.6
196.08740	2.9
197.05946	11.7
198.06706	2.1
199.07669	1.8
201.09233	1.5
203.07072	1.3
205.06543	1.5
209.09598	6.4
211.07565	2.9
211.09668	4.8
212.08336	11.0
213.05505	1.4
213.09277	2.1
213.11238	28.8
213.13268	1.5
214.06229	1.8
216.07951	1.1
217.08664	2.7
221.07594	3.1
222.06871	1.2
223.07513	15.3
223.09421	1.4
225.05516	1.6
227.07120	2.5
227.10672	59.5
229.08615	2.2
231.10129	2.1
237.09258	2.1
239.06885	1.4
240.07841	4.4
241.08484	9.1
243.10362	1.8
245.08192	5.5
249.03023	1.3
255.10176	42.9
256.10864	2.6
259.07062	1.4
259.09637	10.2
269.11990	1.3
272.10233	1.4
286.60895	3.5
287.05914	10.5
287.09940	13.6
287.12875	29.7
287.19781	2.0
287.23593	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	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01851	0.8
55.05499	1.0
57.03410	2.1
57.07065	3.1
60.05647	1.4
65.03924	0.8
65.09150	0.7
66.83908	0.7
67.05506	1.7
69.03428	1.1
69.07058	2.2
69.81142	3.7
70.06594	11.7
71.04987	1.3
72.08141	1.6
78.04727	1.0
79.05490	7.1
81.07048	3.1
85.02917	1.0
85.06545	3.8
91.05489	4.6
93.03387	0.8
93.07039	1.7
95.04975	3.0
95.08604	2.1
98.20802	1.6
98.97572	3.3
103.05470	7.9
105.07020	8.0
106.04134	1.2
107.04954	54.9
107.08585	1.6
109.06522	1.7
109.10186	1.0
110.97489	0.8
112.08718	2.8
114.09209	1.2
115.05453	3.5
115.08669	1.3
116.07079	2.2
116.98657	1.3
117.07012	2.3
118.06535	6.1
119.04900	0.7
119.07365	1.0
119.08521	1.2
120.05698	1.5
121.06503	1.8
122.06032	1.3
123.04408	4.4
123.08057	0.9
124.05203	3.1
125.06004	1.4
130.09770	0.8
131.04933	2.9
131.08546	1.2
133.06485	1.9
135.04405	0.9
135.08049	15.0
137.05983	7.2
139.18776	0.8
140.07007	2.1
145.06548	1.1
145.07535	1.6
145.10127	2.2
146.06012	1.5
147.04422	1.7
147.06847	1.8
148.07561	2.7
149.05980	2.1
151.03838	1.2
151.07582	0.9
154.06230	2.1
158.99652	1.2
163.07539	35.2
164.07242	0.9
165.05577	1.2
165.09090	0.9
167.07042	100.0
168.07658	1.3
175.11871	1.1
177.00682	1.2
179.06982	0.8
180.07808	2.8
181.08595	1.4
189.09105	1.2
193.08598	2.7
195.08315	1.4
195.10173	28.8
197.05991	1.3
199.14754	1.0
201.09106	0.9
211.09679	4.8
211.11563	1.0
213.11218	29.5
213.16379	0.8
219.01590	1.1
227.10724	1.5
241.08557	2.2
242.11780	2.6
243.14897	2.4
245.08084	1.2
259.09683	3.1
269.06711	0.9
269.09473	0.9
269.12924	1.3
270.11261	2.9
287.05289	7.0
287.07440	0.9
287.10675	8.1
287.13489	4.5
287.17014	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	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84120	0.6
55.05511	0.8
56.96569	1.2
67.05524	2.9
69.03439	1.1
69.07070	70.4
70.06589	1.5
70.71931	1.7
71.04987	0.8
72.08138	0.6
79.05500	2.6
81.03452	0.6
81.07056	3.1
83.04987	0.9
84.77177	0.5
85.02863	0.6
85.06563	1.1
91.05486	5.6
91.63945	0.6
93.07038	2.1
94.06566	2.3
95.04968	1.5
95.08642	2.5
96.05314	0.5
97.06525	1.7
98.19370	0.5
98.97573	2.8
98.98466	0.7
99.04438	0.6
101.05980	0.6
103.91060	0.5
105.07038	1.6
105.17185	0.6
106.06546	0.5
106.64655	0.5
107.04961	0.6
107.08585	2.1
109.06502	1.2
109.10160	0.6
112.07607	1.4
113.81333	0.6
116.98622	1.3
117.07017	1.1
118.06547	4.5
119.07337	1.0
119.08618	0.7
120.08086	2.1
121.06531	1.2
121.10125	1.5
122.06050	4.4
123.04443	0.7
124.07542	0.9
128.06203	0.8
129.07036	0.6
130.06546	1.3
131.04944	0.9
131.08598	0.9
133.10107	0.6
134.06042	0.6
135.08134	0.6
136.07610	0.6
137.05984	2.8
140.07069	100.0
143.08492	0.7
144.08112	0.9
145.02826	1.1
145.10072	1.1
146.05992	3.1
147.06778	1.4
148.07578	35.5
151.07497	0.7
153.06981	0.5
158.05992	0.6
158.09695	0.9
158.99606	0.9
159.11687	0.9
163.07559	1.2
164.07034	1.3
165.06929	0.9
167.07164	0.7
167.08597	1.1
168.08014	0.6
170.09630	0.8
171.10403	1.3
174.05493	3.4
174.09137	1.0
177.05417	1.3
181.85551	0.5
186.09126	1.6
187.07831	0.6
188.10701	1.1
189.09073	1.2
189.11504	1.6
195.04330	0.6
195.08044	1.8
198.09174	1.0
199.09920	2.1
203.02191	1.0
214.08594	0.6
214.12251	4.2
217.08479	1.0
219.01715	0.8
223.08736	0.7
224.10704	1.1
226.07425	0.8
226.12360	2.5
227.10765	1.1
241.09723	1.7
241.13461	0.7
242.11778	13.0
243.14957	9.4
245.08159	0.5
255.10181	1.4
259.09695	1.1
269.09354	0.7
269.12830	3.3
270.08423	1.0
270.11276	14.3
287.05829	2.7
287.10083	11.9
287.13791	15.0
287.16940	1.8
287.19775	0.7
300.71802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01877	1.4
55.05491	1.4
56.96568	2.7
67.05494	5.3
69.03424	1.7
69.07068	21.2
70.92199	3.5
71.04968	1.3
71.85271	1.1
74.03561	1.3
76.65483	1.1
79.05480	6.1
79.78707	1.2
80.05007	1.5
81.07040	3.7
85.63248	1.1
91.05465	9.6
93.05765	1.8
93.07040	2.5
94.04169	2.4
94.06569	21.8
95.04949	4.1
97.02859	1.8
97.06501	3.3
98.97591	7.0
99.90953	1.3
104.04993	4.8
105.07029	1.5
105.53377	1.3
106.06592	1.3
107.04942	2.4
109.06535	3.0
110.06039	4.9
110.97592	1.6
112.07575	3.0
116.04972	3.0
116.98586	2.3
117.05824	1.8
118.06541	100.0
119.07332	19.0
120.08092	9.4
122.03642	5.4
122.06031	38.8
123.04446	12.3
123.06679	1.1
124.07584	2.4
128.98575	2.6
129.06924	1.2
130.06560	1.4
131.07306	2.5
131.08513	1.8
136.07523	1.3
137.05978	62.5
137.91885	1.6
140.07065	41.0
142.08638	3.0
143.07343	1.2
144.08122	2.0
146.06004	38.4
146.09666	1.8
147.06793	27.0
148.07571	56.4
158.09608	3.8
158.83641	1.3
164.07060	5.2
167.03445	8.7
167.04636	1.7
167.07175	2.1
169.10184	1.2
171.10440	1.9
172.07431	1.8
172.11266	1.7
174.05531	1.3
174.09048	2.1
181.08907	1.8
181.42014	1.3
183.10396	1.9
184.07544	1.6
186.09186	3.2
188.10689	3.3
189.11452	5.9
195.09106	1.6
196.11220	2.0
196.67674	1.4
197.09605	2.2
198.09241	2.6
198.12846	2.2
199.09909	5.8
212.04652	1.9
212.10724	1.5
213.13809	1.9
214.08641	1.9
214.12230	11.1
215.11765	1.5
216.13855	4.1
219.01648	2.4
222.18964	1.4
223.08591	3.9
224.10681	4.2
226.12408	9.2
227.06989	3.6
227.09290	1.8
237.02812	2.9
241.09642	1.7
241.13356	3.3
242.11751	46.7
243.12389	2.5
243.14932	51.7
254.10445	2.7
255.06465	6.1
256.07431	1.5
259.09659	24.2
259.14401	4.2
269.12845	29.5
270.11246	60.1
287.05566	4.1
287.09332	17.7
287.13876	36.2
287.16956	2.6
305.14963	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	287.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01871	1.0
55.05503	1.2
56.96556	1.2
57.03424	1.1
59.04977	0.8
61.63880	0.8
65.03941	0.8
66.04767	0.7
67.05509	4.6
69.03422	1.9
69.07069	71.7
70.02793	3.8
70.06590	1.1
71.05002	1.5
79.05494	3.4
81.07059	4.4
84.96056	1.0
85.02877	1.1
85.06532	1.5
91.05478	7.7
93.07030	3.5
94.06568	2.6
95.04967	1.6
95.08603	3.6
96.13529	0.8
97.06522	1.7
98.97575	2.0
101.05992	1.2
101.60741	0.8
103.05436	0.8
105.07037	3.4
106.06561	0.9
107.08628	1.3
109.06520	1.6
109.10170	1.0
112.07565	1.9
117.07011	1.4
118.06538	7.2
119.07275	1.0
119.08582	1.9
120.08115	2.9
121.06496	1.8
121.10152	2.0
122.06027	3.4
127.07539	0.7
128.06204	0.8
129.07025	0.9
131.04974	0.7
131.08585	1.1
133.08813	1.3
133.10043	0.9
135.08052	1.3
135.11671	0.9
135.98503	0.8
137.06003	4.7
137.06898	0.9
140.07069	100.0
140.14262	0.8
141.07002	1.2
144.08028	1.1
145.10074	1.0
146.05989	4.5
147.06789	1.7
148.07576	36.8
149.06020	1.9
151.07423	1.2
158.06088	1.1
158.09587	1.6
159.11629	1.6
163.07536	2.6
164.07098	1.6
166.07729	0.7
167.07190	1.1
167.08571	3.7
168.08067	1.1
169.06407	0.9
171.10439	1.4
174.05524	3.1
174.06851	0.9
174.09099	0.9
177.00711	1.0
177.05440	1.3
184.07571	0.9
186.09114	1.9
188.10661	1.5
189.11485	2.3
195.08073	2.7
196.11205	1.3
197.05956	1.5
198.09290	1.6
198.12848	1.5
199.09912	3.6
214.12242	5.6
216.13924	1.0
217.08528	1.3
223.07420	1.8
224.10675	1.3
226.07278	1.3
226.12358	4.8
227.10664	3.4
241.08693	2.6
241.13321	0.9
242.09431	1.5
242.11763	18.7
243.14944	17.9
244.03682	1.3
245.07849	1.0
255.10162	3.2
259.09625	1.9
269.12891	5.8
270.11249	23.5
275.90509	0.7
287.05649	3.6
287.10144	13.9
287.13788	17.5
287.16849	1.7
287.19806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67717	0.6
56.96564	0.7
57.03437	0.6
60.67683	0.6
69.03445	1.0
69.59246	3.2
82.37074	0.6
85.02907	1.2
97.02861	1.1
98.97571	1.7
101.00878	0.8
112.07587	0.6
113.00980	0.7
116.98601	0.6
119.01935	0.6
126.95479	0.6
130.08641	1.3
143.01891	2.7
158.99815	0.6
161.02962	2.4
161.13097	0.6
163.03889	1.3
287.11023	100.0
288.11264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94162	0.2
53.03927	0.4
55.05507	0.3
55.25178	0.2
56.96557	0.2
65.03941	0.5
67.01855	0.3
67.05495	0.8
68.99786	2.1
69.03432	0.4
69.07053	0.3
71.04983	0.2
71.34948	0.4
74.70669	0.1
77.24454	0.1
79.05509	1.2
81.03405	0.6
81.07050	1.2
91.05458	0.6
93.07037	0.7
94.04199	0.3
95.04975	0.2
95.08604	0.5
98.97537	0.3
103.05463	0.2
105.03397	0.9
105.07029	0.8
107.04944	1.3
107.08593	0.8
109.02884	0.7
109.06506	0.2
109.10181	0.4
111.00808	1.4
111.04442	0.4
115.05489	0.2
117.07010	0.3
117.12057	0.2
119.04976	0.2
119.08581	0.6
121.02866	6.6
121.03844	0.4
121.06487	0.3
121.10130	0.5
121.56697	0.2
122.03638	0.8
123.04411	1.2
125.02361	0.2
127.03899	0.2
129.06982	0.5
131.04968	0.3
131.08566	0.5
133.02884	1.1
133.10124	0.8
135.04437	0.5
135.11705	0.3
136.07556	0.5
137.02359	2.1
137.05971	6.6
139.05438	0.2
141.06989	0.3
141.55434	0.2
145.02864	0.2
145.06471	0.6
145.10170	0.5
147.04408	1.5
147.11676	0.3
153.01826	10.3
157.06505	1.2
159.11684	0.5
161.05945	0.4
161.13269	0.2
164.07008	0.4
165.01846	3.3
171.04407	0.7
171.11694	0.2
173.13274	0.3
177.05388	0.2
183.02893	1.6
185.05923	1.3
189.05460	0.4
195.39302	0.2
197.05963	0.4
199.14760	0.3
203.07059	0.3
212.04660	0.3
213.05469	3.0
213.16360	0.2
216.04218	0.2
227.07066	0.4
229.04976	0.6
231.06528	1.1
237.02856	0.2
241.04968	1.6
255.06554	0.9
257.04150	0.2
258.05264	2.6
259.06113	0.7
259.09671	2.7
269.04324	0.4
287.05496	100.0
287.23563	1.5
288.05862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01860	0.2
55.05499	0.2
55.32616	0.1
65.03928	0.5
67.01850	0.3
67.05502	0.2
68.99790	2.4
69.03412	0.3
69.07048	0.2
71.30492	0.2
79.05499	0.7
81.03410	0.4
81.07047	0.5
85.06536	0.2
91.05460	0.3
93.07017	0.3
95.04971	0.2
95.08614	0.3
103.05462	0.3
105.03386	1.0
105.06996	0.3
107.04962	1.1
107.08588	0.3
109.02874	0.6
109.10153	0.1
111.00804	1.5
111.04435	0.3
115.05419	0.2
116.34557	0.1
117.07032	0.3
119.04973	0.2
119.08609	0.2
121.02868	6.6
121.03843	0.2
121.06532	0.2
121.10163	0.2
127.03880	0.2
129.07010	0.5
131.04875	0.2
131.08557	0.2
133.02841	1.0
133.10129	0.1
133.80714	0.1
135.04399	0.4
135.11697	0.2
135.29128	0.1
137.02336	2.2
137.06001	0.2
141.07014	0.3
145.06490	0.4
145.10075	0.2
147.04413	1.4
147.11693	0.2
153.01828	10.1
157.06499	1.6
157.10112	0.2
159.11659	0.3
161.05956	0.6
161.13231	0.2
165.01845	3.5
169.06517	0.2
171.03040	0.1
171.04358	0.7
171.11699	0.1
173.13292	0.2
175.03870	0.3
175.07553	0.2
179.03400	0.1
183.02882	1.9
185.05960	1.0
189.05486	0.3
194.02211	0.2
195.07979	0.2
197.06024	0.4
199.03896	0.1
199.14774	0.2
203.03398	0.2
203.07024	0.3
213.05453	3.4
216.04150	0.3
217.04971	0.2
229.04962	0.4
231.06503	1.1
241.04944	1.8
242.05531	0.2
243.06465	0.2
254.30000	0.1
258.05215	2.1
259.06128	0.8
269.04382	0.4
269.22598	0.3
287.05493	100.0
287.23550	0.8
288.05814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03952	0.6
55.01877	0.7
56.96568	0.4
57.03435	2.0
61.02935	3.8
69.03436	5.4
69.85182	0.3
70.06580	0.7
71.04995	0.7
71.19997	0.7
73.02927	1.9
80.05018	1.7
81.03414	1.8
85.02906	15.8
85.39496	0.4
87.04465	0.6
91.03979	0.9
96.04500	0.8
97.02904	5.8
98.97598	0.6
99.04444	1.1
101.00885	1.2
101.02377	0.3
109.02859	1.1
109.73235	0.3
111.02896	0.3
113.00861	0.7
119.01936	1.8
124.03956	100.0
127.03918	3.6
131.01886	1.2
133.03448	0.7
143.01903	1.7
145.03592	0.4
145.03780	0.4
145.04967	3.0
153.03926	0.5
155.01923	1.1
157.03508	0.8
159.01398	0.4
161.02972	1.4
173.02959	0.9
185.02916	0.9
187.00949	0.5
192.05571	0.7
196.99248	0.3
202.37616	0.3
203.04015	0.6
205.04562	0.4
215.00381	1.2
221.05110	0.5
245.05025	0.7
247.03047	1.8
259.02957	0.6
271.02887	0.4
286.09082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01860	0.3
55.05513	0.1
65.03932	0.3
67.01853	0.4
67.05496	0.4
68.99427	0.2
68.99789	2.5
69.03429	0.3
70.88921	0.3
77.31895	0.1
79.05489	0.8
81.03404	0.4
81.07064	0.5
82.71871	0.1
85.06565	0.1
91.05463	0.5
93.07036	0.4
94.42697	0.1
95.01331	0.1
95.04962	0.4
95.08591	0.4
97.02898	0.1
103.05457	0.3
105.03378	1.0
105.07023	0.4
107.04953	1.2
107.08593	0.4
109.02888	0.8
109.10148	0.1
111.00800	1.7
111.04433	0.3
115.05439	0.2
117.07001	0.3
119.04950	0.2
119.08583	0.3
121.02866	6.8
121.03944	0.4
121.06526	0.1
121.10121	0.2
127.03870	0.4
129.07033	0.6
131.04901	0.1
131.08562	0.3
133.02863	1.0
133.06522	0.2
133.10135	0.3
135.04404	0.4
135.08113	0.1
135.11687	0.1
137.02339	2.2
137.05980	0.2
141.07042	0.3
143.08574	0.1
145.06511	0.6
145.10100	0.5
147.04407	1.5
147.11635	0.2
149.06004	0.1
149.13293	0.1
153.01823	10.9
157.06485	1.7
157.10114	0.3
159.11705	0.4
161.05952	0.4
163.03879	0.1
164.62933	0.1
165.01828	3.5
167.10640	0.1
169.06487	0.2
171.04460	0.6
173.05910	0.1
173.13255	0.2
175.03934	0.4
175.07591	0.2
183.02901	1.7
185.05974	1.2
185.13248	0.2
187.14713	0.1
189.05472	0.3
193.01280	0.1
194.02032	0.1
195.08014	0.1
197.06013	0.3
201.05486	0.2
203.03310	0.3
203.07042	0.2
213.05457	3.3
213.16376	0.3
216.04294	0.1
229.04965	0.5
231.06520	1.4
241.04939	1.5
243.06577	0.2
258.05234	2.2
259.06030	0.7
269.04382	0.3
269.22504	0.2
287.05487	100.0
287.23587	1.2
288.05756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24747	5.5
53.03957	6.5
55.05512	41.6
56.96569	33.9
57.03440	9.7
57.07066	24.2
63.00045	12.0
67.05502	58.9
69.03399	5.9
69.07069	62.1
69.54076	10.7
69.54479	27.7
71.04987	11.1
71.08599	9.6
73.82373	5.5
79.05488	24.5
81.03453	9.0
81.07060	100.0
83.04987	12.0
83.08619	47.6
85.02904	11.8
85.10204	5.2
91.05476	21.8
93.07066	28.1
94.07383	4.9
95.05009	5.8
95.08614	92.3
97.02941	5.6
97.06538	14.1
97.10181	33.6
98.04621	5.4
98.97593	22.8
98.98490	10.7
105.07025	30.5
107.08598	33.1
109.10162	68.3
111.11711	19.8
112.99142	6.1
116.98646	7.4
117.07047	7.5
119.08571	34.1
121.10173	25.1
123.08073	6.3
123.11705	34.1
128.06255	7.7
129.07045	11.2
131.00182	8.0
131.08569	22.2
133.10149	22.1
135.11703	18.4
137.13257	9.3
143.08575	26.5
145.10117	21.6
147.11710	26.2
149.01253	13.9
149.13237	5.9
151.14873	7.7
155.08548	14.8
156.09338	7.0
157.10114	15.4
159.11688	6.8
160.97592	4.9
161.06030	6.6
161.13235	7.3
167.39413	5.4
169.10120	42.1
171.11725	23.7
172.11884	5.8
173.13225	10.6
175.14882	6.6
177.00818	6.5
183.11751	11.7
185.13290	8.8
193.12247	12.4
197.13266	14.7
199.14812	7.1
203.10518	7.2
225.09145	6.2
225.16498	6.3
235.13603	5.7
239.17967	71.9
240.18710	9.0
240.23106	7.7
241.19469	11.2
243.13522	6.6
249.18559	7.8
249.25787	8.7
253.08693	13.6
267.21255	11.0
284.62915	23.1
285.07571	11.6
285.10757	9.1
285.18503	99.1
285.22156	24.3
285.29349	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	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05508	1.0
55.61809	0.2
56.96284	0.5
56.96567	8.5
57.03419	0.2
57.61199	0.2
58.19824	0.3
62.86997	0.2
67.05507	1.3
69.07063	0.8
70.85965	0.7
71.05004	0.3
79.05484	0.8
80.27409	0.3
81.07047	0.9
82.88110	0.2
83.08611	0.4
85.06509	0.3
91.05466	1.5
91.58828	0.2
93.07069	1.3
95.04980	0.3
95.08607	1.8
105.07024	3.1
107.08581	1.5
109.10154	1.2
112.44028	0.2
116.06210	0.3
117.07054	1.2
119.08581	3.8
121.10155	1.1
123.11716	0.5
128.06232	0.3
129.06990	0.6
130.07790	0.7
131.08569	2.1
132.09320	0.5
133.10136	3.7
141.07111	0.4
143.08557	0.7
144.09348	0.5
145.10126	4.9
146.10886	0.8
147.11685	100.0
148.12059	0.3
155.08559	0.3
156.09349	0.7
157.10106	1.7
158.10852	0.4
159.11685	2.2
161.13235	0.9
163.00763	0.3
163.11151	0.2
165.12744	0.2
169.01768	0.4
169.10136	1.2
170.10898	0.8
171.11642	1.7
173.13263	1.9
181.01787	0.3
182.10870	0.4
183.11673	1.3
184.12436	0.7
185.13260	2.0
187.14793	0.6
191.00060	0.5
193.01703	1.0
195.03273	1.5
195.11617	0.4
197.13248	2.1
197.88751	0.2
199.14818	2.1
203.00224	0.5
206.99762	0.3
209.01181	0.7
209.13200	0.5
211.02792	1.3
211.14818	0.7
213.04327	1.3
213.16354	0.6
221.01231	1.2
221.70865	0.3
225.16319	0.4
237.16371	1.8
239.02278	15.3
239.17950	1.0
252.18788	1.7
257.03336	13.3
262.03857	2.4
267.21094	1.9
273.41385	0.2
280.04913	1.5
285.07578	0.8
285.18634	1.0
285.22107	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	285.2424
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
55.05503	39.4
56.96566	5.4
57.03426	6.6
57.07071	14.7
60.15497	5.1
67.05508	53.9
69.07069	51.1
71.04991	15.4
71.08640	10.9
71.61507	8.3
77.87445	5.6
79.05486	16.2
81.03407	9.2
81.07052	90.7
83.08615	78.2
85.06533	6.6
91.05497	12.9
93.07046	19.9
95.04934	7.1
95.08614	100.0
97.06542	6.3
97.10161	33.4
97.21352	5.6
105.07018	8.5
107.08599	17.5
109.10149	71.5
111.11725	15.8
119.08586	16.0
121.10159	10.3
123.11703	22.0
124.43834	5.6
125.13264	7.9
131.08633	6.9
133.10135	6.0
135.11687	14.2
135.98918	5.2
137.13289	7.2
143.08502	7.0
145.10098	7.9
147.11656	22.0
149.13243	10.9
155.08569	6.1
169.10190	9.1
175.11226	5.4
221.22752	7.6
228.07721	6.1
239.17960	6.5
249.22116	13.0
267.23276	7.1
285.18478	12.6
285.21765	13.4
285.24399	17.2
285.33408	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	285.2212
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
57.07055	0.7
58.35192	0.7
60.43260	0.7
60.86386	0.7
66.18126	0.6
67.05492	1.5
69.07066	1.5
71.43057	1.4
81.07045	1.9
91.05484	2.3
93.07048	1.7
95.08587	2.6
105.07042	3.5
107.08583	2.5
109.10114	1.5
117.07010	1.5
119.08568	4.6
121.10097	1.1
123.11692	0.8
126.36684	0.7
129.07048	0.8
130.07776	0.7
131.08589	2.0
133.10139	4.2
144.37013	0.7
145.10092	4.5
146.10991	0.7
147.11688	100.0
156.09323	0.7
157.10117	1.4
159.11702	2.6
161.13292	1.0
167.08600	0.7
167.70871	0.6
169.10187	0.9
170.10921	1.1
171.11749	1.8
173.13290	1.3
183.11737	1.4
185.13263	1.1
197.13246	2.3
199.14883	1.5
207.54527	0.7
220.16815	0.8
237.16386	1.4
252.18768	1.6
267.21024	1.2
285.22192	16.8
285.25757	2.4
285.29865	0.9
292.93579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05512	1.1
69.07063	1.1
71.34105	1.0
73.96574	0.6
81.07066	1.5
83.34467	0.7
85.42464	0.6
91.00260	0.6
91.05482	1.2
93.07027	1.7
95.08611	2.1
105.07053	3.7
107.08597	1.8
109.10170	0.8
117.03319	0.6
117.06994	0.8
119.08563	4.6
121.10149	1.4
123.11610	0.7
130.07828	0.9
131.08530	1.6
132.09271	0.8
133.10132	4.1
142.07817	0.7
145.10097	4.3
147.11688	100.0
151.72757	0.7
156.09418	0.8
157.10106	1.0
159.11691	2.6
171.11725	1.8
173.13268	1.8
183.11624	1.2
184.12537	0.8
185.13228	0.8
187.14748	0.6
197.13275	2.4
199.14836	1.9
209.13211	0.8
211.14799	1.1
237.16356	2.0
252.18729	1.6
267.21216	0.7
285.22162	18.5
285.25662	2.2
285.29849	1.5
285.33270	1.1
303.35745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.206
Annotation	Asperic acid
Peak:m/z	Relative Intensity
55.05513	32.8
56.96550	15.3
57.07079	6.9
67.05505	42.7
69.07073	58.7
70.25607	25.3
71.05009	6.4
79.05491	44.4
81.07055	49.4
83.08617	27.5
86.41865	5.5
90.12295	5.5
91.05484	40.3
93.07050	60.0
95.08617	58.6
97.06523	15.7
97.10165	16.9
105.07043	27.1
107.08603	41.4
109.06550	9.1
109.10131	26.8
111.08093	9.5
111.11728	13.2
113.06052	6.0
117.07048	6.0
119.08605	33.7
121.10143	46.8
123.08052	9.6
123.11713	12.7
125.09641	10.0
131.08624	10.8
133.10124	33.0
135.08083	8.2
135.11671	17.1
137.09592	14.3
137.13283	8.3
139.11111	5.5
145.10112	8.7
147.11696	40.0
157.10152	7.1
159.11723	8.2
161.13231	6.3
165.12796	8.4
171.11641	11.5
179.18034	7.5
195.12497	6.4
203.17909	29.3
213.16370	12.5
221.19028	28.8
225.74065	7.5
231.17418	10.9
239.17949	10.8
240.08360	6.4
249.18498	81.2
268.26074	5.6
285.11316	6.2
285.20575	100.0
285.25281	7.5
285.29791	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	285.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.05518	38.3
56.96569	42.6
57.03439	9.9
57.07074	11.6
63.00041	7.4
63.35863	3.8
67.05217	4.9
67.05512	66.0
67.06071	4.7
69.07069	39.0
71.04994	10.4
71.08644	4.8
71.21269	10.1
79.05502	46.9
81.03419	19.0
81.07056	70.8
83.04987	11.5
83.08626	21.3
85.02918	18.0
85.06554	12.2
91.05484	41.1
92.35834	4.3
93.07054	73.1
95.04975	11.5
95.08614	52.6
97.02854	5.8
97.06543	23.2
97.10168	10.5
98.97601	17.0
98.98463	5.3
105.07033	34.6
107.04955	19.3
107.08609	42.9
109.06541	7.0
109.10183	28.0
111.08137	10.2
111.11675	5.4
116.98614	5.5
117.07025	9.8
119.08591	31.6
121.06495	5.0
121.10143	45.0
123.11698	8.8
129.07004	10.4
131.00169	10.0
131.08563	16.5
133.10144	30.9
135.11719	18.6
137.09648	4.8
139.11188	5.6
143.08594	12.9
145.10115	14.9
147.11668	31.7
149.01228	10.9
149.09636	7.9
149.13356	4.9
153.12717	4.9
155.08594	9.7
156.03619	6.3
157.10133	6.8
159.11716	10.9
161.13329	8.5
163.11192	4.9
167.02280	5.3
169.10170	14.8
171.11711	8.4
173.13231	6.2
175.11179	5.0
187.14873	5.5
189.16382	5.9
193.12215	12.6
197.13347	9.5
203.17937	8.2
204.10902	8.2
209.13287	6.2
211.13225	10.0
224.22319	4.6
225.09129	5.5
239.17943	15.2
249.18533	100.0
253.08653	13.3
267.12311	8.5
285.07544	11.7
285.13626	34.5
285.18701	28.3
285.21515	11.2
285.25708	13.9
285.29700	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
55.01865	5.1
55.05511	28.3
57.03437	52.8
57.07076	4.3
59.04984	2.0
61.53343	1.9
67.03898	2.2
67.05165	2.3
67.05510	35.1
69.03431	5.1
69.07078	14.3
69.59532	14.1
71.05000	15.4
79.05495	39.9
81.03423	100.0
81.07062	52.6
82.51724	2.2
83.04991	20.4
83.08624	35.9
85.02911	92.8
85.06532	4.8
87.04440	2.3
91.05480	47.6
93.07054	33.8
95.04974	42.4
95.08611	18.1
97.02905	5.2
97.06520	7.7
97.10160	6.1
98.20722	2.6
105.07040	32.3
107.04964	9.3
107.08607	10.4
109.06503	7.8
109.10157	6.6
111.04419	3.4
111.08086	21.8
113.06002	9.3
115.05443	2.4
117.06963	2.9
118.49700	2.5
119.08589	34.3
121.06520	2.3
121.10165	16.3
123.08035	4.3
123.11746	5.1
129.07025	17.3
131.08575	18.6
133.06483	3.2
133.10130	14.7
137.09677	2.7
145.10165	4.5
147.08084	5.3
147.11710	34.3
149.09631	9.5
157.10129	25.8
165.12761	4.5
175.11185	29.2
193.12254	95.2
211.13297	71.5
217.95779	2.4
231.88786	2.4
285.07715	4.2
285.16974	66.4
285.22061	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28322	2.3
53.03941	5.4
55.01874	4.7
55.05516	31.7
56.96560	3.2
57.00405	2.4
57.03180	3.6
57.03441	60.2
57.07067	5.5
60.08167	7.2
63.00034	3.0
67.05508	49.7
69.03430	8.2
69.07075	15.3
71.04986	12.8
71.08617	3.0
71.61221	3.7
79.05499	38.8
81.03420	93.4
81.07063	54.1
81.55992	2.9
82.89234	2.9
83.04984	22.0
83.08623	35.1
85.02905	88.4
85.06527	3.2
91.05480	53.4
92.65461	2.4
93.07047	30.2
95.04977	41.0
95.08611	33.0
97.02888	5.4
97.06532	10.3
97.10165	5.9
99.04463	2.8
99.08107	2.4
105.07038	40.1
107.04973	7.2
107.08588	20.3
109.06519	8.4
109.10159	8.8
111.04466	4.5
111.08086	20.7
113.06003	7.1
117.07034	5.5
119.08581	35.1
121.06557	3.6
121.10146	19.9
122.67896	2.5
123.08091	4.8
123.11742	5.0
129.07018	16.7
131.08568	22.1
133.10136	20.3
135.11647	3.3
137.09688	2.6
142.04333	2.5
142.07788	3.7
143.08571	3.0
145.10139	7.0
147.08096	6.0
147.11688	32.0
149.09637	12.2
157.10161	21.1
159.11732	5.5
165.12761	3.2
171.11687	2.9
175.11211	23.3
193.12248	100.0
198.57262	2.4
201.32829	2.7
211.13297	67.4
239.18015	5.2
239.20149	2.4
242.05661	2.8
267.15900	3.0
284.33185	9.9
285.07465	6.0
285.16888	50.1
285.22113	5.8
285.25800	9.8
285.30154	4.1
285.33267	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05516	33.1
57.03224	3.6
57.03438	40.9
60.10643	3.6
62.75750	3.5
67.05509	39.6
69.03419	8.8
69.07058	9.3
71.04995	8.9
71.61623	6.9
71.62659	4.0
77.83767	3.9
79.05495	44.5
81.02975	5.7
81.03416	80.0
81.07059	51.5
83.04975	19.1
83.08622	34.4
85.02905	91.0
85.06560	4.4
85.19228	3.7
91.05482	54.1
93.07063	31.4
95.04978	38.7
95.08622	19.7
97.02873	4.1
97.06502	4.9
97.10194	4.7
105.07038	40.5
107.04891	8.3
107.08576	16.7
109.06496	9.6
109.10168	7.9
111.08076	15.7
113.06017	6.2
117.95671	4.1
119.08556	30.5
121.10123	19.6
123.11732	6.1
129.07001	16.0
131.08554	17.3
133.10107	10.9
142.07722	5.9
145.10107	8.0
146.89131	4.6
147.08028	7.3
147.11682	29.1
149.09604	10.7
157.10138	25.1
165.12698	7.3
175.11224	27.3
193.10605	7.2
193.12260	100.0
209.24829	4.6
210.73128	4.3
211.13300	65.6
285.07608	10.5
285.16956	67.6
285.22009	11.7
285.29688	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99399	1.0
53.03947	1.7
55.01866	1.7
55.05284	1.2
55.05516	13.4
56.96554	2.2
57.03172	2.0
57.03437	23.8
57.07064	2.3
58.27145	1.0
59.04988	1.2
63.00043	1.4
65.03932	1.1
67.05507	20.6
69.03419	4.1
69.07069	7.2
71.05006	5.5
71.08603	1.0
71.62141	1.4
71.62576	1.2
79.05492	17.7
80.62503	1.0
81.03419	49.3
81.06572	1.5
81.07056	27.0
83.04980	10.5
83.08622	16.3
85.02905	40.7
85.06528	2.0
91.05478	27.6
92.66481	1.1
92.76699	1.1
93.07044	16.5
95.04968	22.9
95.08603	13.6
97.02898	1.6
97.06527	4.3
97.10152	1.7
98.98492	1.2
105.07030	20.9
107.04958	2.6
107.08586	9.7
109.06506	3.2
109.10151	5.0
111.04436	3.1
111.08082	11.9
113.05976	3.3
117.06988	3.0
119.08581	18.8
121.06504	2.9
121.10155	10.7
123.08072	2.8
123.11707	4.1
125.09623	1.1
129.07011	6.1
131.08578	10.5
133.06514	3.5
133.10146	10.3
135.04451	7.6
142.07780	4.6
143.08548	1.3
144.71344	1.3
145.10121	6.2
147.08034	2.1
147.11684	100.0
149.09641	4.0
157.10115	13.9
159.11673	4.3
165.12738	3.5
169.10165	2.8
171.11732	2.9
173.13318	2.4
175.11200	15.9
184.12521	1.8
185.13277	3.2
193.12242	49.6
197.13237	3.7
199.14775	3.5
211.13300	36.9
211.15224	2.6
229.14311	1.2
237.16454	1.8
239.17946	4.4
242.05788	1.7
252.18634	2.6
267.21042	3.0
285.07617	2.9
285.16818	23.5
285.21902	21.4
285.25348	2.4
285.33673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
53.53186	1.9
55.01863	5.5
55.05511	29.2
57.03185	3.8
57.03441	53.2
57.07040	3.0
60.53459	1.9
64.89293	2.1
65.51151	1.8
67.05165	3.6
67.05506	46.7
69.03421	4.3
69.07084	14.8
69.50893	3.3
69.51302	13.8
71.05003	11.4
79.05055	2.6
79.05494	47.0
81.03421	85.5
81.03904	4.5
81.07060	61.1
83.04988	20.8
83.08131	2.8
83.08620	43.6
85.02908	100.0
85.06538	3.6
91.05482	57.7
93.07047	33.3
95.04967	45.4
95.08611	24.2
97.02892	4.4
97.06477	6.4
97.10162	5.8
98.20763	3.4
105.06386	2.4
105.07034	37.8
107.04950	8.5
107.08586	14.5
109.06487	6.4
109.10146	5.5
111.04422	4.6
111.08092	27.3
113.05994	8.4
115.05423	3.2
117.06979	4.4
119.08585	33.6
121.06516	2.3
121.10143	20.8
123.08073	4.4
123.11684	5.0
129.06981	18.4
131.08566	16.1
133.06430	2.5
133.10130	20.2
137.09550	2.5
142.07776	7.6
145.10068	3.0
147.08017	3.9
147.11673	30.9
149.09669	10.5
157.10135	21.6
165.12747	6.3
175.11182	24.9
190.91631	2.2
193.12253	98.6
211.13313	63.3
285.16983	64.1
285.33560	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70801	1.9
53.03933	4.1
55.01859	6.2
55.05518	33.2
57.03436	60.6
57.07054	1.9
59.85984	1.9
61.46928	2.1
67.05173	2.9
67.05507	47.9
69.03410	6.1
69.07065	13.9
69.47237	7.6
69.47662	7.5
70.37102	2.0
71.04984	8.9
73.70446	2.1
79.05054	3.0
79.05491	46.9
81.03419	100.0
81.07058	55.1
83.04976	24.6
83.08620	44.2
85.02906	96.5
85.03394	2.2
85.06538	3.8
91.05478	53.8
93.07041	30.3
95.04972	45.9
95.08607	24.2
97.02869	4.7
97.06512	6.3
97.10171	5.5
99.08056	2.4
105.04523	2.1
105.07027	40.4
107.04925	8.2
107.08588	14.7
109.06501	8.6
109.10149	9.1
111.04408	3.4
111.08089	21.1
113.05965	6.9
115.05451	4.1
117.07001	4.4
119.07792	2.9
119.08588	39.7
121.10145	20.4
123.08030	6.7
123.11653	6.2
125.09613	3.2
129.07010	20.4
131.08568	22.8
133.06480	6.0
133.10143	19.6
135.11725	2.5
137.09644	3.4
142.07765	4.7
145.10158	5.0
147.08072	3.2
147.10623	2.8
147.11707	39.1
149.09671	9.4
157.10135	26.6
165.12729	6.2
173.13196	2.4
175.11218	27.6
193.12244	94.6
211.13301	79.7
216.11502	1.9
239.17990	2.4
262.71225	1.8
283.66910	2.4
285.07529	2.3
285.16910	67.8
285.22073	4.9
285.25305	2.1
285.29880	3.1
285.33395	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01875	4.0
55.05511	20.7
56.96554	3.7
57.03440	29.2
65.03947	2.0
67.05508	40.3
69.03435	8.7
69.07067	13.5
69.90440	7.7
71.04989	11.6
71.89202	1.5
75.82215	1.5
79.05498	32.1
81.03421	100.0
81.07060	49.1
83.04986	14.5
83.08620	28.2
85.02908	49.0
85.06548	5.0
87.04443	3.6
91.05486	35.0
93.07054	24.8
95.04970	32.5
95.08608	25.0
97.02887	4.5
97.06538	6.2
97.10170	4.1
98.20676	1.7
98.97579	5.8
99.04469	2.3
99.08108	4.9
105.07033	31.7
107.04971	7.6
107.08590	13.8
109.06551	8.0
109.10166	12.2
110.97579	2.7
111.04447	6.1
111.08076	18.1
113.05997	3.6
115.05422	2.4
117.07004	2.4
118.48611	1.7
119.08594	24.7
121.06495	3.8
121.10142	17.1
123.08066	5.4
123.11705	6.4
128.06265	2.3
128.98636	3.0
129.07011	12.1
131.08585	15.7
133.06499	2.7
133.10115	11.8
135.08075	2.1
135.11703	2.4
137.09628	4.0
137.13318	1.6
142.07780	4.1
145.10139	5.1
147.08025	3.8
147.11694	25.4
148.10277	2.0
149.09625	9.1
157.10135	14.8
161.06006	2.3
165.12758	4.9
175.11162	18.7
179.07164	1.6
183.11809	1.8
185.13512	2.0
189.00806	1.9
193.06529	2.1
193.12251	79.5
199.14818	2.0
203.17996	3.4
211.13301	48.4
221.06004	2.4
221.19104	1.8
224.17049	1.7
225.09129	3.3
225.86040	1.6
229.14311	1.9
239.20047	2.4
249.02858	5.1
250.03279	2.4
253.08521	6.3
267.15982	7.5
267.19498	3.2
276.14545	2.0
285.04044	3.3
285.07553	3.4
285.11447	4.8
285.16919	36.9
285.21844	2.9
305.17163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01868	9.5
55.05286	3.6
55.05511	33.2
56.96548	4.3
57.03437	63.6
63.44854	2.5
64.43664	2.9
65.03940	2.8
67.05508	61.0
69.03428	8.8
69.07073	27.8
70.06622	2.5
70.14681	2.6
71.04991	18.7
71.61736	2.6
73.02911	3.4
73.93970	2.3
79.05494	54.3
79.96824	2.4
80.30260	2.3
81.03420	100.0
81.07057	82.9
81.18554	2.7
83.04981	24.6
83.08629	38.7
85.02907	90.2
85.06522	6.9
86.06071	3.3
86.09698	30.9
87.10029	17.9
91.05484	66.3
93.07044	45.2
95.04971	44.4
95.08604	38.3
97.02884	8.2
97.06535	11.6
97.10172	5.9
98.97578	5.3
105.07024	49.4
107.04954	10.5
107.08597	23.0
109.06519	12.6
109.10155	15.0
111.04459	6.7
111.08074	19.4
112.08814	2.6
113.05994	9.4
114.05525	6.3
117.07031	5.4
119.08587	41.4
119.09368	4.9
121.06517	3.3
121.10138	30.8
123.08072	5.9
123.11713	5.4
125.09654	2.5
127.11152	2.7
129.07014	20.2
131.08566	21.9
133.06508	5.0
133.10126	23.3
133.73634	2.7
135.11716	4.4
137.09593	4.8
142.07779	4.4
145.10117	7.3
145.49490	2.3
147.08072	6.0
147.11687	37.7
149.09673	8.4
157.10126	24.1
165.06953	3.5
165.12791	7.4
169.10190	4.0
170.99765	3.3
175.11168	28.0
187.14882	3.7
189.16420	5.6
193.12245	92.0
208.93935	2.6
211.13289	58.5
213.16479	3.7
225.09042	4.6
249.02888	3.4
249.18509	3.2
250.19681	2.6
253.08566	6.1
267.15988	4.6
285.03952	5.3
285.07587	10.9
285.11484	7.8
285.16946	68.3
285.22076	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01863	4.2
55.05513	19.1
56.46309	2.0
57.03440	28.9
57.07064	2.4
61.69899	1.6
65.03947	2.2
67.05502	33.1
68.22898	2.2
69.03416	6.6
69.07076	9.7
69.34358	14.1
69.34764	3.6
70.06578	4.5
71.04980	8.4
73.02881	1.8
79.05491	27.1
79.54813	1.7
81.03419	100.0
81.07063	32.3
83.04981	11.3
83.08629	28.6
85.02415	3.3
85.02904	47.0
85.06536	4.2
91.05491	27.9
93.07049	23.5
93.59052	2.1
95.04971	29.9
95.08595	15.2
97.02885	4.8
97.06528	5.2
97.10174	3.2
98.97552	1.9
101.05991	2.2
104.84018	1.9
105.07034	24.7
107.04949	7.2
107.08610	13.4
109.06508	5.4
109.10144	7.2
111.04469	3.2
111.08086	18.2
113.06006	6.0
113.07946	2.2
116.98588	1.9
119.08593	27.0
121.06547	3.5
121.10142	13.6
123.08076	4.7
123.11695	4.8
127.07571	2.1
129.07014	13.8
130.93593	1.7
131.08600	14.0
133.06505	4.5
133.10141	13.6
135.08057	3.1
135.11649	2.7
137.09599	2.4
142.07776	4.8
145.10078	3.2
147.07990	4.4
147.11713	20.9
149.09596	8.9
157.10162	17.1
163.11211	2.2
165.12749	7.7
175.11172	17.6
193.12245	73.1
199.14769	3.1
211.13297	39.6
229.14377	4.0
249.18500	2.5
253.08536	5.0
267.15945	7.4
285.03979	5.6
285.07559	6.0
285.10754	4.2
285.16937	34.7
285.22083	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	4.9
54.60369	1.5
55.01859	5.1
55.05262	1.8
55.05511	26.9
56.96558	1.6
57.03439	53.3
57.07078	2.1
61.02932	1.8
62.03544	1.4
65.03929	1.6
67.05511	44.4
69.03439	9.2
69.07065	10.7
70.06583	2.3
70.56499	1.7
70.56847	4.8
71.04999	13.8
71.59985	1.5
79.05051	2.8
79.05492	39.4
81.03420	100.0
81.07059	48.0
83.04981	22.4
83.08620	32.8
85.02908	70.3
85.06527	5.6
90.16103	1.6
91.05482	49.1
93.07044	32.6
95.04975	35.1
95.08604	23.2
97.02883	7.9
97.06548	10.1
97.10155	4.4
99.08125	3.2
105.06378	2.6
105.07034	43.3
105.29278	1.5
107.04946	8.5
107.08588	16.7
109.06512	13.6
109.10141	9.3
111.04444	5.5
111.08092	21.6
113.06013	7.1
115.03899	1.9
115.05452	3.1
117.07013	2.9
119.04943	2.4
119.08581	31.4
119.53120	1.5
121.06523	4.4
121.10143	19.6
123.08070	8.5
123.11658	4.8
125.05957	2.2
127.11182	1.7
128.06262	2.3
129.07022	17.1
131.08568	17.9
133.06499	2.8
133.09407	1.5
133.10149	18.0
135.07999	2.3
135.11679	2.6
137.05931	1.7
137.09651	4.7
139.11165	2.4
142.07782	4.3
143.08554	2.2
145.10123	5.1
147.08017	5.2
147.11688	23.9
149.09595	11.4
149.13181	1.7
151.07533	2.2
157.10136	26.8
163.11188	2.1
165.07028	4.4
165.12750	6.0
171.11644	1.5
175.11195	26.1
177.12794	2.6
193.06578	2.3
193.12247	87.9
211.13309	50.5
219.16652	1.7
225.09172	3.3
253.08556	4.8
257.11761	2.7
267.15955	9.6
285.11307	9.5
285.16940	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03928	5.6
55.01861	10.8
55.05510	18.6
57.03439	25.0
57.07069	5.8
58.59122	3.3
59.04995	5.8
60.98683	2.9
61.02930	22.5
65.03949	6.4
67.05508	27.6
69.03433	47.2
69.06768	2.9
69.07072	32.8
69.91603	12.3
70.06581	4.6
71.04992	39.4
71.06896	3.6
73.02912	5.4
73.06567	3.1
79.05494	34.6
81.03417	35.6
81.07060	58.6
83.04981	17.3
83.08635	13.6
85.02899	37.0
85.06523	6.6
87.04456	22.5
90.06224	2.7
91.03945	15.9
91.05476	33.1
93.07037	48.3
95.04972	24.3
95.08612	40.4
96.06196	2.4
97.02898	33.4
97.06528	35.0
97.10172	3.0
99.04475	3.5
99.08088	5.9
105.06369	4.1
105.07027	50.9
107.04947	4.5
107.07876	4.1
107.08592	62.0
109.06522	66.3
109.10159	28.1
109.31425	3.0
111.04436	13.6
111.08062	9.0
111.43930	2.6
115.03934	13.9
115.05432	4.6
117.07012	7.0
119.08576	30.0
121.06530	18.1
121.10121	31.2
123.04461	6.3
123.08070	100.0
123.11677	7.2
125.05993	7.7
125.09621	8.9
125.13311	4.3
127.03899	3.2
127.11205	6.2
128.06215	6.1
129.06995	7.8
131.08583	22.2
133.04953	7.6
133.06485	7.0
133.10135	32.3
135.08063	7.3
135.11693	15.0
137.09630	23.2
139.11198	24.5
141.05467	3.1
141.07207	3.0
142.07710	3.9
143.08545	14.6
145.06412	5.3
145.10098	12.2
147.08054	9.6
147.11697	21.7
149.09613	16.7
149.13231	7.4
151.07538	13.0
151.11163	19.0
153.09062	5.9
153.12759	15.6
157.10098	11.5
159.06660	4.8
159.08054	13.9
159.11641	14.9
161.09665	17.1
163.07529	5.4
163.11166	31.1
165.09087	3.8
165.12732	13.4
167.10670	4.9
171.07985	4.0
171.11697	3.6
173.09615	4.5
173.13185	3.8
175.11176	13.3
177.09102	6.2
177.12741	38.3
179.10631	8.1
183.11545	2.9
185.13203	5.5
189.12798	6.9
191.14272	3.3
193.06590	3.6
193.12299	19.8
195.12250	3.1
195.13782	20.2
199.09624	6.9
201.12691	9.2
203.14171	3.7
211.13232	5.6
213.12852	3.2
219.13750	14.6
231.13812	18.8
237.14914	7.0
249.14867	23.1
267.15918	34.4
269.57126	2.9
285.11926	6.7
285.16992	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.1
55.05512	42.5
56.77117	5.1
57.03427	20.0
57.07068	14.2
59.04977	6.7
60.25698	5.4
61.02917	22.7
62.19359	5.5
67.05508	54.6
69.03436	47.0
69.07072	36.3
69.75961	36.3
70.06586	27.9
71.01315	5.5
71.04996	77.4
71.06908	7.7
72.57838	5.6
73.02927	30.0
73.21162	5.7
79.05489	45.8
81.03404	42.6
81.07056	100.0
83.04984	31.1
83.08621	16.9
85.02905	28.1
85.06567	14.5
87.04447	9.0
91.05479	53.4
93.07043	67.5
95.04971	44.3
95.08604	63.6
97.02892	22.0
97.06494	28.6
99.04489	11.1
103.03954	18.5
105.07027	83.4
107.04932	9.4
107.08595	63.6
109.06519	74.2
109.10158	64.0
111.04428	54.1
111.08093	20.5
112.07642	12.2
113.06052	12.7
113.07948	13.3
115.03905	16.9
115.05474	6.8
117.07001	16.7
119.08578	81.2
121.06512	34.4
121.10130	41.9
123.01057	6.0
123.04456	9.9
123.08061	51.6
123.11714	20.1
125.06023	7.9
125.09632	8.0
127.11168	15.0
128.06195	9.1
129.05449	13.6
129.06981	7.2
131.08525	30.2
133.06485	12.5
133.10136	48.2
135.08052	19.4
135.11694	33.1
137.05971	8.1
137.09621	42.0
137.13173	5.7
139.11172	20.3
142.07738	7.9
143.08557	24.6
145.06462	9.5
145.10107	28.8
147.08052	23.7
147.11710	34.2
149.09621	10.4
149.13312	7.6
151.11215	18.7
153.12743	15.8
155.08490	8.6
156.09274	6.5
157.10085	15.1
159.06619	7.5
159.08052	33.9
159.11693	23.3
161.06010	8.6
161.09575	29.0
161.13271	13.9
163.11183	36.4
165.06975	8.3
165.12732	37.0
169.10146	7.1
171.11624	10.9
173.13283	8.6
175.11163	12.9
177.09100	8.4
177.12712	38.5
179.10660	8.8
181.08704	7.3
181.12254	16.3
182.07201	6.6
183.11731	10.0
185.13313	10.9
189.12747	15.5
193.12260	14.9
195.13815	17.6
199.09612	6.5
201.12767	7.9
203.14320	8.3
210.06917	6.0
219.13797	16.1
225.09123	15.3
231.13754	36.2
249.14856	27.5
249.18556	6.3
253.08559	23.0
267.15771	31.1
280.35046	5.9
285.03979	9.2
285.07837	7.8
285.11334	11.7
285.16907	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
55.67955	0.8
56.96568	64.7
57.07064	2.0
63.00031	1.0
67.05501	2.4
69.07075	1.6
70.94270	1.5
70.94608	1.6
71.08649	0.9
79.05491	1.5
80.85754	0.8
81.07037	2.5
83.04984	1.0
83.08580	1.4
91.05480	1.3
93.07048	2.1
95.08601	2.9
105.07001	2.6
107.08602	2.4
109.10142	2.2
119.08595	3.8
121.10150	0.9
131.08571	1.7
133.10123	2.3
137.09612	2.2
143.08514	1.4
145.03181	0.9
145.10095	2.6
147.11694	24.0
151.00635	1.7
153.47983	0.8
155.08569	1.5
157.10147	2.2
158.10979	0.9
159.11687	1.2
169.01714	2.5
169.10097	3.0
173.13245	1.7
175.00676	1.4
177.02200	2.1
179.00272	1.0
181.01785	1.7
182.10941	0.9
183.11696	1.6
187.02826	2.3
188.98621	1.5
191.00150	2.9
193.01720	7.2
195.03256	9.3
197.01237	1.8
197.13292	1.8
203.00218	2.8
206.99625	2.6
209.01248	5.1
211.02788	10.1
213.04350	8.9
221.01125	7.1
223.44543	0.8
231.05379	1.3
239.02272	100.0
239.17953	6.0
244.02850	1.6
257.03336	80.2
262.03867	18.2
267.20932	1.0
270.05374	0.8
280.04956	7.6
284.29510	1.4
284.32941	1.3
285.07584	2.7
285.18503	7.4
285.22119	7.4
285.25375	1.6
285.29596	1.2
285.33282	0.9
303.06799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52014	1.3
53.03947	1.5
55.05505	1.5
55.70619	1.4
56.96559	2.2
57.03435	2.0
61.02916	3.7
65.03952	1.6
67.05502	18.2
69.03429	5.9
69.07059	3.6
70.06592	85.0
71.61079	2.6
72.40902	1.5
73.02904	3.6
79.05486	3.2
81.03416	9.1
81.07046	3.7
85.02904	6.2
86.09711	14.1
91.05490	2.1
94.06573	2.0
95.04963	10.9
96.04507	3.5
97.02882	16.6
98.06024	2.3
98.97590	3.7
103.03954	8.4
108.08103	9.8
109.02869	8.0
110.06032	4.0
112.07611	61.7
114.05509	2.6
116.98604	1.3
122.06030	4.1
122.09679	3.1
124.07613	1.9
125.06001	2.1
126.74535	1.9
127.03907	6.3
135.04489	1.9
135.06741	1.7
136.07632	1.7
140.07059	29.6
147.99821	1.4
150.09155	16.2
152.07062	21.1
153.06609	1.6
158.08173	1.6
164.07042	1.7
178.08629	56.9
182.08147	3.3
192.10237	2.3
206.08122	100.0
213.26398	1.5
218.08122	23.8
236.09276	2.2
248.09213	8.5
266.10565	3.6
284.16055	6.7
284.29514	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	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
50.05511	1.7
51.34312	1.6
53.03946	2.9
54.15338	1.5
55.01871	1.9
55.05513	36.9
56.55371	1.5
57.03441	2.2
57.06858	1.5
57.07081	15.4
58.06115	1.5
59.04993	2.1
67.05508	37.0
69.03424	2.6
69.07069	62.7
70.93553	1.9
70.93968	4.3
71.04989	8.3
71.08629	7.3
79.05479	14.4
81.07058	96.7
82.07362	1.9
83.04970	3.8
83.08616	32.1
85.06544	12.9
85.10196	2.9
91.05475	5.2
93.07052	24.5
95.04963	3.7
95.08611	100.0
97.06571	3.2
97.10180	22.7
99.08096	7.9
105.07016	4.8
107.08598	30.5
109.10165	55.2
111.11712	11.4
113.09663	4.7
119.08559	2.7
121.02850	4.7
121.10151	23.2
123.11720	30.3
125.09632	4.4
125.13242	2.9
131.08554	1.7
133.10123	3.0
135.11693	23.7
137.13252	16.8
139.11150	1.9
143.08606	1.8
145.10135	2.3
147.11705	2.3
147.92354	1.9
149.13277	17.2
151.14796	10.0
153.12749	2.2
163.14880	11.8
165.16403	9.1
175.53969	1.9
177.16423	12.8
183.17366	2.2
191.17992	8.4
195.17499	2.3
209.13445	1.8
209.19019	1.9
247.24219	28.7
265.25287	11.9
283.09299	3.0
283.16479	1.8
283.20523	3.7
283.26352	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01859	5.9
55.05514	41.4
56.96568	23.3
57.03425	9.9
57.07063	8.9
59.04985	4.5
65.03922	3.1
67.05508	47.9
69.03448	3.2
69.07069	51.4
71.04993	12.6
71.08627	6.2
71.61797	2.9
79.05101	3.1
79.05499	30.4
81.07057	100.0
83.04992	13.7
83.08627	34.9
85.02906	6.1
85.06536	6.1
86.45966	2.3
91.05487	17.2
93.07046	33.7
95.04967	7.7
95.08611	99.3
97.02837	3.0
97.06525	10.0
97.10174	16.0
97.88118	2.7
98.97596	6.2
99.04483	3.3
99.08063	5.3
105.07050	13.0
107.04942	4.2
107.08594	37.2
109.06501	3.3
109.10146	44.3
111.04453	5.0
111.08063	5.9
111.11689	10.4
113.09647	3.6
116.98630	6.3
117.07016	3.8
119.08574	12.4
121.06548	4.2
121.10152	31.8
123.08073	3.9
123.11718	30.3
131.08568	7.4
133.10120	9.8
135.08017	4.1
135.11697	25.9
137.13252	15.3
139.11160	4.0
143.07057	4.4
143.08554	4.2
145.10161	14.8
147.11653	6.6
148.05434	2.8
149.09598	3.2
149.13272	7.4
151.14859	6.3
154.16362	2.5
157.10118	6.5
159.11739	5.7
163.11214	8.0
163.14812	7.1
165.16377	5.2
173.13274	3.7
175.14825	3.3
177.16441	6.7
187.14880	3.5
191.14296	6.1
191.17934	6.0
195.11809	3.1
201.16393	3.6
211.14793	3.1
227.12668	3.6
229.15942	3.0
229.52188	2.7
233.15492	4.2
247.16867	8.1
247.24199	7.8
259.66232	12.7
265.18011	6.6
265.21771	2.6
265.25406	4.2
283.09778	3.2
283.15344	8.6
283.20535	8.7
283.24121	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	283.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12049	1.4
53.03946	3.4
55.01871	7.6
55.05511	68.1
56.64114	1.5
56.96569	3.2
57.03436	7.7
57.07076	54.1
59.05000	3.6
65.03922	2.0
67.05507	75.0
69.03451	2.5
69.07067	80.2
70.78718	3.8
70.79095	1.9
71.04989	7.7
71.08636	25.2
71.67929	1.5
73.06547	1.9
79.05496	38.6
81.07058	100.0
83.01360	2.3
83.04982	12.4
83.08125	3.1
83.08621	59.9
85.06545	5.6
85.10190	11.5
87.04449	2.0
87.08153	1.8
91.05477	14.0
93.07048	50.5
93.07619	3.2
95.04952	1.4
95.08607	86.9
97.06534	27.3
97.10175	37.5
98.97551	1.9
99.08114	2.5
101.06010	2.8
105.07021	9.9
106.05048	1.5
107.08595	38.8
109.06484	1.9
109.10154	35.1
111.08085	15.8
111.11708	8.9
113.09662	1.4
115.07584	6.3
117.07020	2.6
117.79746	1.6
119.08565	8.8
121.06522	2.0
121.10140	43.0
122.69297	1.4
123.08059	2.0
123.11726	15.0
125.09647	15.1
125.13291	2.0
129.09160	2.2
131.08556	2.8
133.10152	9.5
135.11699	32.3
137.13277	7.8
139.11183	13.5
143.08740	1.7
143.10698	1.5
145.10129	4.4
147.11691	12.1
149.13251	24.6
151.11232	1.8
153.12718	9.7
159.11652	2.4
161.13231	3.4
163.11166	2.5
163.14822	14.4
165.12773	4.2
167.14316	6.7
173.13254	2.9
177.16393	4.7
181.15848	3.3
187.14978	1.5
191.17838	1.7
195.17513	2.0
209.15382	1.3
219.21057	15.7
227.12762	2.0
229.19518	3.9
237.22113	6.1
247.20647	5.3
265.21634	16.3
271.68503	3.0
271.89883	1.5
283.15497	4.6
283.20044	2.1
283.24048	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	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
51.50364	1.6
51.95938	1.8
52.04888	1.9
53.03934	2.0
55.01854	7.1
55.05505	17.0
55.64406	1.6
56.96552	7.8
57.03415	6.4
57.07059	7.8
65.03931	1.9
65.19491	1.5
67.05503	23.3
67.39900	1.7
69.03406	6.7
69.07072	15.7
69.32764	1.8
70.43081	3.8
70.43472	3.1
71.04984	9.1
73.74178	1.6
79.05132	1.4
79.05499	17.2
81.03409	3.7
81.07056	38.9
83.01317	2.6
83.04964	7.0
83.08631	8.3
85.06532	2.7
89.06017	2.8
91.05472	22.0
93.07044	42.1
95.04969	8.9
95.08607	27.8
97.06509	6.9
97.10167	4.0
98.97580	4.9
99.08072	2.0
100.20998	1.6
103.05460	3.1
105.07023	55.9
106.81893	1.7
107.04937	4.7
107.08586	31.1
109.00465	1.8
109.06523	8.3
109.10164	18.6
111.04436	2.1
111.08107	1.8
116.98618	2.9
117.07008	12.3
119.07777	3.1
119.08581	40.6
121.06490	9.7
121.10145	79.0
123.08072	6.8
123.11722	8.9
125.09585	4.1
125.37373	1.7
128.06223	5.7
129.06976	5.3
130.07758	5.0
131.08577	25.5
133.07562	2.0
133.10129	27.7
135.08017	8.5
135.11687	13.6
137.09578	3.4
142.07761	7.6
143.08562	22.7
144.09323	3.1
145.09018	3.4
145.10123	42.3
147.08037	4.4
147.11659	9.0
149.09615	3.1
149.13249	2.5
155.08551	6.6
156.09290	4.6
157.10129	22.3
158.07196	2.1
158.10875	7.1
159.11681	22.4
161.09627	23.7
161.13243	4.8
163.11166	10.5
163.14819	2.6
167.08553	2.9
168.09412	2.5
169.10139	6.4
170.10880	3.7
171.11710	15.7
173.09627	3.4
173.13269	56.7
175.11172	7.1
175.14793	6.7
177.12709	2.2
179.08568	5.0
181.10222	8.5
182.10945	2.0
183.11676	10.3
185.09549	2.2
185.13245	13.1
187.11147	2.0
187.14798	11.6
189.12677	3.8
193.10124	3.8
194.10899	6.3
195.07921	2.0
195.11700	11.1
197.13245	9.2
199.11182	4.7
199.14784	5.0
201.12747	3.0
201.16341	3.4
208.12444	3.5
209.11624	2.6
209.13271	16.4
210.13985	3.3
211.14833	3.7
213.12733	6.1
213.16364	5.7
215.14313	3.8
221.13232	3.4
223.14862	8.6
225.16322	6.8
227.14238	7.3
235.14787	2.4
237.16232	2.9
239.17923	3.6
255.20972	11.3
265.19492	27.9
271.64383	2.2
278.00848	2.3
283.15457	5.0
283.20554	100.0
283.28305	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	283.1904
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01862	12.1
55.05511	45.8
56.96568	19.4
57.03434	10.4
57.06868	2.7
57.07082	24.2
65.03928	3.3
67.05168	4.4
67.05505	55.6
69.03417	4.7
69.07074	57.4
71.01377	3.2
71.04984	10.3
71.08626	7.4
71.40078	4.2
79.05495	51.6
81.03419	11.0
81.07058	79.9
83.04977	20.9
83.08624	40.1
85.02885	4.0
85.06538	5.2
91.05490	27.3
93.07050	71.2
95.04972	9.7
95.08605	89.6
97.02897	11.4
97.06530	10.9
97.10155	16.4
97.37679	3.4
98.97581	5.9
99.08041	4.6
105.07033	26.6
107.04945	13.8
107.08598	50.8
109.06516	6.4
109.10162	45.2
111.04447	5.3
111.08049	6.8
111.11695	7.4
111.41689	3.5
116.98601	4.9
117.07037	14.9
119.08553	29.1
121.06497	11.0
121.10137	46.2
122.10530	3.9
123.08034	8.2
123.11700	11.7
125.06009	7.8
129.07033	5.5
131.08540	15.5
131.09511	3.2
133.10126	20.4
135.08051	14.5
135.11688	43.6
137.13225	6.5
139.07507	12.2
140.89717	3.5
143.08540	4.3
145.10106	22.0
147.11679	11.4
149.09615	17.1
149.13255	13.0
151.14799	10.7
153.09079	11.7
153.12923	3.8
157.10181	3.4
159.11710	12.5
161.09656	4.1
161.13251	5.4
163.11183	18.8
163.14825	6.2
167.10590	11.1
173.13228	6.6
175.14809	6.4
177.16408	14.1
181.12242	7.4
187.14757	3.8
191.17953	28.2
195.11792	4.7
199.14937	5.2
201.16376	11.7
213.12312	3.7
215.60741	3.3
219.17395	33.0
229.15826	4.0
237.18513	9.8
247.16995	5.8
265.17804	4.7
265.21902	4.1
272.15451	4.0
278.00812	3.5
283.09839	4.2
283.16028	7.0
283.19012	100.0
283.24106	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	283.1904
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03952	6.8
55.01875	25.1
55.05517	52.2
56.96552	23.0
56.96805	5.3
57.03434	20.7
57.07069	15.3
65.06914	5.7
67.05504	63.9
69.03432	11.4
69.07069	41.4
71.04993	11.0
71.60762	7.3
72.61343	4.7
79.05495	47.5
81.03421	8.3
81.07061	83.2
83.04987	63.1
83.08639	32.3
85.02910	13.8
85.06539	7.6
91.05465	33.8
93.07053	61.1
95.04956	7.6
95.08617	74.9
97.02943	8.1
97.06531	24.1
97.10173	10.9
98.97594	6.8
99.04433	12.9
99.08091	5.5
105.07050	23.1
107.08604	43.6
109.06533	6.5
109.10154	32.4
111.04449	100.0
111.08081	10.9
117.07038	9.0
119.04965	9.3
119.08594	27.1
121.10146	36.2
123.08057	7.3
123.11716	15.7
124.18574	5.3
125.06017	15.7
129.05475	9.8
131.08572	14.3
133.10124	18.4
134.99609	7.4
135.08028	11.1
135.11658	29.8
137.09637	7.2
139.07553	15.3
142.07852	6.4
143.08565	5.7
145.10123	21.7
147.11693	8.6
149.09604	7.5
149.13229	7.6
151.11162	6.3
153.09085	11.8
157.10139	8.0
159.11736	12.6
163.11200	17.2
173.13248	11.3
181.12300	7.1
187.14948	9.3
191.14392	7.2
195.11754	8.1
197.83730	5.1
201.16541	10.1
209.19002	21.5
213.16476	6.9
219.17563	7.2
223.14784	6.0
227.12721	8.0
237.18466	29.6
247.16994	17.4
247.20552	5.8
265.18008	76.9
265.21634	22.0
283.09561	9.7
283.15088	10.8
283.19464	18.9
283.24173	19.8
302.00037	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03937	7.4
55.01873	36.0
55.05264	4.1
55.05512	68.1
56.96560	5.5
57.03440	53.3
57.07060	11.3
59.05005	11.6
67.04312	2.6
67.05508	47.1
69.03415	4.7
69.07067	22.3
71.01356	4.1
71.05009	13.9
79.05494	63.0
81.03414	28.3
81.07056	63.3
83.01358	39.8
83.04980	46.2
83.08622	43.2
85.02885	9.5
85.06534	5.3
89.06019	5.6
91.04952	3.7
91.05479	44.5
92.15253	2.3
92.98940	2.3
93.07048	82.7
95.04971	19.5
95.08034	3.5
95.08604	36.7
97.02835	6.0
97.06003	2.9
97.06535	18.1
97.10157	7.3
98.97578	3.3
99.04440	9.1
105.07037	35.5
107.04972	25.3
107.08595	44.7
109.06531	18.2
109.10148	11.9
111.04433	11.2
111.08058	7.0
111.11734	3.6
117.07003	18.7
119.08573	27.9
121.05714	2.9
121.06517	12.2
121.10119	28.6
123.08056	23.5
123.11688	4.0
125.06046	6.1
125.09632	3.8
129.07037	3.4
130.07805	5.2
131.08575	17.6
133.10124	5.9
135.08058	6.2
135.11688	45.7
137.09639	4.6
139.07553	2.5
143.08566	3.4
145.06447	4.2
145.10129	50.9
147.08014	5.9
147.11656	6.7
149.09515	2.6
153.12737	11.0
155.08525	6.3
158.97639	2.5
163.11192	86.9
173.09618	14.7
173.60995	2.9
181.12218	18.6
191.10588	15.9
209.11722	20.8
209.13013	2.0
227.12758	17.3
283.15396	100.0
283.20575	9.5
283.24210	3.9
298.59302	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	10.0
55.01873	33.1
55.05515	73.4
56.96544	5.9
57.03438	57.4
57.07045	10.6
59.05006	12.8
67.05505	54.7
69.03402	3.0
69.07077	28.5
71.01313	2.6
71.04999	16.4
71.08619	6.2
79.05497	69.5
81.03419	33.1
81.07058	75.0
83.01344	35.5
83.01801	5.1
83.04981	49.0
83.08620	49.6
84.96515	3.1
85.02865	10.5
85.06526	5.0
85.10133	2.4
91.04979	2.9
91.05486	48.9
93.07047	84.9
95.04405	2.7
95.04968	22.5
95.08612	43.7
95.76260	2.1
97.02873	5.4
97.06525	13.4
97.10132	9.1
98.20664	4.2
98.97561	3.9
99.04404	7.2
101.17791	2.9
105.07030	35.1
107.04946	25.1
107.08602	49.0
109.06517	21.3
109.10145	17.2
111.04386	8.7
111.08048	10.6
116.98572	2.9
117.07024	24.5
119.08590	37.7
121.06450	9.3
121.10143	37.1
123.08051	27.8
123.11655	7.0
125.05947	4.3
125.09600	4.7
129.06949	7.9
130.07751	2.9
131.04881	2.9
131.08595	13.9
133.10129	16.1
135.07974	7.9
135.11694	47.8
137.09593	3.7
139.07500	2.8
139.11053	3.5
143.08507	6.8
145.06543	3.2
145.10144	55.0
147.08017	7.5
147.11613	11.7
149.09573	5.4
151.11040	3.5
153.12781	18.4
155.08432	5.3
161.09576	2.7
163.11182	99.3
173.09637	18.4
181.12228	25.6
187.14789	3.8
189.12630	3.2
191.10722	16.5
199.14810	3.1
209.11693	27.0
223.14819	2.6
227.12843	17.6
243.17282	2.7
246.66872	2.6
265.25043	2.4
278.00760	2.6
283.15274	100.0
283.20441	12.2
283.23999	9.8
304.61993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.52277	1.7
53.03929	5.1
55.01620	2.5
55.01871	40.2
55.05510	65.7
57.03434	63.6
57.07057	5.6
59.05000	12.4
65.03950	1.8
65.04668	1.4
67.05163	2.8
67.05502	41.5
67.28128	1.6
68.69248	1.5
69.03419	3.4
69.07072	11.1
69.45401	12.9
71.01339	4.3
71.04996	13.6
71.08626	1.8
79.05490	64.2
81.02968	2.8
81.03416	38.5
81.07053	61.1
83.01340	37.3
83.04980	40.9
83.08617	37.5
85.02900	12.3
85.06536	3.3
89.06032	3.3
91.05477	41.9
93.07040	78.9
95.04971	20.9
95.08604	25.8
97.02867	5.9
97.06522	16.8
97.10194	3.0
99.04452	10.5
99.08099	1.8
103.05427	2.4
105.04453	1.8
105.07025	27.9
107.04958	26.8
107.08587	45.8
109.06513	23.2
109.10133	6.7
111.04422	9.4
111.08067	4.6
111.11708	2.5
115.05430	2.4
117.07008	22.4
119.08570	27.2
121.06475	10.9
121.10135	25.8
123.04380	2.4
123.08066	29.8
125.05984	6.8
125.09600	5.1
129.07004	4.8
130.07735	5.9
131.08568	9.4
133.10106	6.3
135.08044	6.0
135.11685	51.5
137.09599	5.2
139.07527	3.0
143.08531	3.7
145.10115	54.1
147.08025	7.4
149.05936	1.7
149.09702	2.7
153.12749	11.4
155.08524	5.9
163.11180	100.0
173.09624	11.5
181.12219	15.9
185.82962	1.9
191.10661	13.0
209.11707	27.7
227.12762	12.8
283.15387	96.1
283.24109	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	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03920	10.0
55.01875	38.9
55.05511	79.0
57.03439	62.6
57.07052	8.0
59.04980	10.8
65.03925	3.7
67.05507	56.7
69.03399	6.7
69.07064	22.2
71.01349	2.5
71.04996	16.2
71.62132	3.1
77.32619	2.4
79.05492	76.6
81.03418	37.3
81.07060	73.7
83.01338	33.5
83.04982	52.6
83.08623	49.8
85.02869	10.7
85.06519	6.9
88.46391	2.4
89.80590	2.1
91.04958	3.4
91.05475	47.3
93.07047	88.9
95.04446	2.5
95.04970	25.4
95.08606	35.5
97.02847	7.1
97.06540	21.6
97.07095	3.8
97.10123	7.3
99.04473	14.1
103.05448	2.6
105.06396	2.4
105.07034	35.6
107.04959	31.8
107.08591	45.9
109.06521	23.8
109.10169	15.1
111.04445	17.8
111.08047	9.5
111.11639	3.3
115.05387	3.8
117.07034	25.2
119.08588	27.2
121.06506	12.7
121.10151	29.5
123.04432	2.8
123.08060	25.3
123.11672	2.6
125.05946	7.2
125.09594	5.2
128.06194	3.1
129.06969	6.4
130.07747	4.4
131.04915	3.1
131.08580	16.5
133.10065	9.9
135.07991	7.8
135.11681	47.4
137.09566	7.0
139.07529	3.4
143.08533	5.5
145.06389	3.2
145.09048	3.2
145.10121	57.1
147.07968	6.8
147.11534	2.7
149.09554	5.1
152.03333	2.0
153.12747	14.9
155.08557	5.6
157.10138	5.0
159.11679	2.9
163.11183	88.9
167.08414	2.3
169.10083	8.0
171.11690	2.6
173.09702	12.1
181.12248	14.9
185.13210	4.1
191.10599	7.4
197.13251	2.5
209.11691	32.4
222.13928	3.5
227.10690	2.8
227.12784	13.7
237.16376	11.9
239.17834	3.0
283.09644	5.3
283.15289	100.0
283.20447	9.3
283.23749	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	9.1
53.45691	2.0
55.01869	40.3
55.05511	76.1
57.03436	59.6
57.07060	8.6
59.04995	8.6
65.03949	2.7
67.05164	3.3
67.05502	47.7
69.03409	5.8
69.07073	22.0
71.01344	3.4
71.04984	17.0
71.08624	4.6
79.05051	3.5
79.05490	69.6
79.14710	1.8
81.03410	32.6
81.07058	67.2
83.00892	3.0
83.01346	41.0
83.04980	46.8
83.08612	42.2
83.98360	2.3
85.02898	11.1
85.06528	5.4
89.06013	5.9
91.05483	41.6
93.07048	84.8
95.04958	21.5
95.08599	33.1
97.02876	6.8
97.06532	15.8
97.10156	7.0
97.72615	2.2
98.20702	5.5
99.04445	6.3
99.08060	3.3
99.91121	2.0
103.05425	3.1
105.04512	1.9
105.07022	36.7
107.04967	24.4
107.08598	43.7
109.06512	17.0
109.10175	10.8
111.04462	11.8
111.08071	8.6
117.07021	25.9
118.48444	2.4
119.08585	26.9
121.06490	14.0
121.10143	28.9
123.08054	27.3
123.11707	2.8
125.06036	4.8
125.09608	4.5
129.06984	4.1
130.07771	4.3
131.08582	11.0
133.10106	7.7
135.08105	5.4
135.11697	47.6
137.09587	5.6
143.08554	4.1
145.06464	2.2
145.10112	57.9
147.08009	6.8
149.09549	2.8
153.12717	15.9
155.08536	3.8
155.45876	2.0
159.11678	2.5
163.11188	89.7
171.11638	2.4
173.09604	16.2
181.12273	17.8
185.13184	2.3
187.14746	2.2
191.10649	13.0
191.36438	2.2
209.11736	27.5
212.31851	1.8
213.16521	3.0
225.42860	2.2
227.12770	14.5
283.15396	100.0
283.20218	4.0
283.24142	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.99433	3.1
53.03946	6.7
55.01877	37.5
55.05516	70.5
55.42698	3.7
57.03436	56.8
57.07069	11.1
59.05000	9.4
67.05510	46.4
69.03410	5.4
69.07079	20.4
71.01345	4.3
71.04984	12.2
71.62595	7.5
79.05049	5.2
79.05493	68.0
81.03413	39.4
81.07057	66.1
83.01339	37.3
83.04984	46.0
83.08620	43.6
83.64553	3.6
85.02896	11.5
85.06552	3.8
89.06026	20.3
91.05480	42.5
93.07043	75.5
95.04977	24.5
95.08604	33.1
97.02872	8.1
97.06537	17.8
97.10182	10.3
99.04433	4.3
105.07022	24.4
107.04956	20.5
107.08601	51.3
109.06518	21.5
109.10162	9.6
111.04452	8.9
111.08068	8.7
117.06976	16.8
119.08581	32.0
121.06497	11.0
121.10152	31.9
123.08051	27.4
125.06084	4.7
125.09660	5.7
131.08578	11.3
133.08612	4.6
133.10153	10.9
135.08028	6.1
135.11685	49.5
143.08585	7.1
145.10120	55.8
149.13272	5.0
153.12733	12.8
163.11183	79.2
173.09592	6.0
178.59149	3.6
179.08064	3.6
181.12239	18.7
191.10683	11.3
209.11685	23.8
227.12776	11.3
283.12335	6.0
283.15411	100.0
283.20297	4.6
283.28491	5.6
284.29657	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09793	5.4
53.03940	7.6
55.01868	48.9
55.05517	82.3
57.03432	66.8
57.07066	12.8
57.83820	5.6
59.04980	15.1
61.82100	4.9
67.05505	56.2
69.07053	24.3
69.26794	44.8
69.27206	10.7
71.04980	14.1
75.77481	5.3
79.05481	73.3
81.03421	36.1
81.07058	70.3
83.01331	37.4
83.04992	39.6
83.08614	57.2
85.02874	14.6
89.06027	19.9
91.05477	48.8
93.07049	78.6
95.04963	22.3
95.08609	45.0
97.06533	20.9
97.10179	10.6
99.04461	11.0
105.07021	36.4
107.04946	24.8
107.08588	45.0
109.06532	26.1
109.10149	22.4
111.04429	11.9
111.08025	6.3
117.06995	23.2
119.08558	27.3
121.06500	12.3
121.10146	30.7
123.08072	32.8
125.06010	8.9
125.09611	12.4
130.07771	7.8
131.08569	14.3
133.08568	9.5
133.10101	8.4
135.11700	43.9
143.51848	5.1
145.10091	58.1
147.08028	6.0
153.12735	13.4
163.11176	100.0
173.09613	12.0
181.12172	17.9
191.10686	12.5
207.80656	5.7
209.11763	26.3
227.12811	26.1
283.15347	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37452	1.8
53.03938	2.2
57.03421	6.2
60.00274	1.6
61.02935	11.1
69.03118	1.9
69.03435	18.7
71.04980	2.4
71.51824	2.0
73.02901	6.8
81.03407	6.2
82.54633	1.9
85.02907	100.0
85.06554	18.4
87.04498	3.3
90.63729	1.6
91.03944	6.4
94.95396	1.8
95.04957	2.3
97.02898	23.8
98.97582	3.2
99.04442	7.4
109.02863	5.4
127.03905	27.7
145.04956	47.7
150.07762	17.7
163.06058	12.5
190.08693	2.6
229.10692	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.0
55.01872	35.7
55.05513	61.7
56.96558	7.7
57.03436	57.4
57.07067	9.9
59.04999	6.4
64.78181	2.8
65.03942	4.0
67.05503	45.9
69.07079	15.6
69.64635	22.9
71.01335	3.5
71.04979	9.3
71.08611	5.1
79.05056	3.9
79.05492	68.5
81.03423	25.4
81.07053	63.4
83.01338	29.3
83.04983	38.0
83.08619	37.5
85.02894	11.0
85.06527	5.6
91.05478	50.6
91.65038	3.3
93.07050	88.7
95.04530	2.5
95.04973	24.8
95.08610	43.8
97.02872	9.3
97.06529	16.4
97.10165	5.8
98.97572	9.8
99.04443	10.1
105.07037	41.1
107.04955	28.1
107.08590	52.8
109.06535	17.0
109.10138	10.2
111.04460	6.9
111.08070	3.9
116.98619	3.5
117.07035	19.1
119.08573	42.7
121.06513	18.1
121.10133	47.0
123.08059	20.4
125.05979	5.0
129.07027	5.4
131.08551	8.1
133.10123	19.2
135.11703	56.2
137.09636	4.1
143.08543	6.3
145.10138	60.4
147.08047	7.5
147.11711	15.5
149.09628	14.2
153.12720	12.9
155.08540	4.4
157.10078	3.8
163.11186	100.0
173.09637	7.3
175.11198	6.8
181.12210	25.2
191.10654	9.4
209.11687	18.2
227.12778	57.5
238.65874	2.8
247.24178	3.9
266.65842	3.2
268.77039	3.3
283.15045	72.8
283.20541	7.9
283.24152	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	281.2474
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03931	2.3
55.05512	42.2
56.96542	1.7
57.03426	2.4
57.07079	17.0
59.04979	1.0
65.03929	1.3
67.05505	60.7
69.07069	52.0
69.07625	1.1
71.04997	10.4
71.08341	0.7
71.08638	8.3
71.61806	1.0
73.06542	1.2
78.01888	0.7
79.05106	1.1
79.05492	11.0
81.07058	94.7
83.04975	1.9
83.08622	58.2
85.06528	5.5
85.10173	3.4
91.05456	5.9
93.06537	1.1
93.07054	12.9
95.04961	1.6
95.08609	100.0
97.06520	2.1
97.10172	35.6
98.85320	0.8
98.97567	3.0
99.08080	2.6
105.07044	8.1
107.08580	10.3
109.10158	54.5
111.08083	1.8
111.11726	12.3
113.09662	1.8
116.46514	0.9
116.98616	1.1
117.07000	0.8
118.76981	0.8
119.08596	5.6
121.10141	9.3
123.08042	1.1
123.11720	20.7
125.09673	1.1
125.13263	2.5
129.86864	0.9
131.08549	1.0
133.10120	6.8
135.11693	7.5
137.09642	0.9
137.13246	8.6
143.08551	1.5
145.10062	1.0
147.11661	2.9
149.13254	8.8
151.11136	1.7
151.14798	3.3
161.09602	0.9
161.13214	2.9
163.14818	6.1
165.12767	1.6
165.16376	2.3
175.14848	2.3
177.16425	0.9
179.14297	1.1
179.17912	1.9
189.09128	1.0
189.16342	2.3
195.59485	0.9
221.22543	1.2
235.24243	5.4
245.22649	7.8
263.23737	11.1
281.13803	3.5
281.22311	0.8
281.24863	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	281.2476
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03946	5.2
55.01864	4.2
55.05512	62.7
56.96569	9.1
57.03447	4.9
57.07078	19.1
57.23109	1.7
59.05008	3.1
59.31451	1.6
67.05506	82.1
69.07068	87.1
70.93102	4.0
70.93458	2.2
71.04984	6.7
71.08633	12.3
79.05501	38.1
81.03426	6.4
81.07056	100.0
83.04988	10.0
83.08126	3.4
83.08620	61.8
85.06557	6.3
85.10193	2.6
91.05486	31.2
93.07050	46.5
95.04957	8.3
95.08607	90.2
95.93596	1.7
97.06514	9.1
97.10167	45.3
98.90594	2.0
98.97584	12.1
99.08078	3.7
105.07034	19.2
107.04968	2.2
107.08587	28.2
109.06502	4.9
109.10164	42.0
111.08106	9.7
111.11726	16.2
113.09697	2.5
115.07642	2.0
116.98634	8.0
117.07050	3.6
119.08589	25.5
121.10134	32.2
123.08073	7.3
123.11717	18.9
125.09654	6.0
125.13313	4.0
129.07001	2.8
131.00200	2.5
131.08585	6.7
133.10136	22.4
134.99641	2.1
135.11688	21.4
137.09660	6.7
137.13234	7.5
139.11182	3.8
139.14742	1.9
145.10077	4.6
147.08093	1.8
147.11710	14.7
149.01221	1.9
149.13274	15.3
151.11206	6.3
151.14833	3.1
153.12755	3.0
157.10162	2.5
159.11693	2.6
161.13263	16.0
163.14824	9.6
165.12796	4.9
167.14388	2.5
171.11725	3.5
172.81229	1.8
175.14818	10.1
177.16389	3.5
179.14328	3.2
179.17778	1.9
181.15810	1.8
185.13226	2.8
189.16388	5.6
193.16057	2.4
203.94720	1.8
217.19611	3.0
221.22609	2.0
225.16425	2.3
235.20680	2.0
238.11385	1.7
239.04433	6.7
245.18941	2.3
245.22662	14.7
253.21581	4.6
260.95538	1.8
262.06027	2.0
263.20114	7.5
263.23636	16.0
277.00784	2.0
281.05334	3.9
281.14490	1.7
281.18436	2.8
281.21133	14.4
281.24997	13.0
281.29520	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	281.2112
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03946	6.0
55.01870	9.0
55.05512	63.0
56.96561	32.4
57.03429	8.7
57.07062	16.4
67.05164	5.8
67.05505	94.3
69.03419	7.2
69.06709	5.9
69.07069	82.7
70.78805	4.2
70.79141	8.3
71.04970	12.1
71.08621	5.6
79.05486	73.1
81.00433	4.2
81.03426	4.9
81.07055	100.0
83.04978	14.0
83.08617	44.9
85.02895	5.8
85.06536	10.6
91.05474	48.4
93.07047	93.8
95.04952	16.9
95.08035	7.0
95.08607	96.0
96.08938	7.0
97.06522	19.4
97.10167	29.3
98.97588	28.8
99.08102	5.6
105.07037	40.3
107.08601	53.6
109.06526	7.0
109.10150	45.5
110.97537	4.1
111.04492	5.0
111.08064	12.0
111.11790	8.1
113.09692	4.6
116.82825	3.8
116.98599	11.9
117.06994	9.6
119.08585	42.2
121.10140	65.1
123.08067	13.9
123.11707	18.6
125.09628	6.9
129.07021	6.7
131.08575	17.4
133.10124	34.5
135.08018	6.5
135.11682	42.4
137.09581	19.5
137.13269	6.5
139.11208	7.3
143.08559	8.6
143.09787	3.9
145.10127	13.8
147.11720	22.7
149.09583	9.1
149.13298	13.9
150.76840	3.8
151.11177	11.4
151.14665	3.6
153.12646	4.2
154.86674	4.3
157.10126	8.1
159.11690	10.6
161.13280	22.4
165.12743	6.8
171.11700	13.8
173.13181	5.1
183.11723	5.0
199.14786	6.1
203.17831	4.2
217.19478	15.0
223.14799	5.8
225.16330	4.3
227.17892	12.1
232.09871	3.6
235.20610	10.3
239.04352	13.0
239.18048	3.9
245.19066	11.1
260.12912	4.7
263.20050	55.9
281.05475	10.6
281.10413	3.9
281.18927	7.8
281.21378	12.3
283.03171	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	281.2112
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
52.41024	2.3
53.03933	6.5
54.60366	2.2
55.01868	3.6
55.05511	31.2
56.73191	2.4
56.96566	16.8
57.03423	2.9
57.07087	12.0
59.64518	2.2
65.03921	3.2
67.05509	60.5
69.03414	3.1
69.07067	41.8
70.40823	9.3
71.04993	32.2
71.08596	4.8
79.05495	37.9
81.03391	5.9
81.07062	85.4
83.04975	13.9
83.08617	24.9
84.63165	2.6
85.02879	4.1
85.06539	12.6
90.00610	2.4
91.05483	26.8
92.05782	2.2
93.06477	2.7
93.07045	49.0
95.04968	79.8
95.08611	70.6
97.05988	3.2
97.06538	37.7
97.10141	10.8
98.97004	3.9
98.97588	43.3
105.07043	21.9
107.04925	3.4
107.08593	36.5
109.02840	7.8
109.06490	10.5
109.10154	28.1
109.56463	2.7
111.08043	5.7
116.98625	20.6
117.06992	4.7
119.08582	19.4
121.10154	30.4
123.08031	10.2
123.11693	11.3
125.09616	3.5
129.06972	2.3
131.08513	10.3
133.10118	10.6
134.99609	8.6
135.11673	17.8
137.09584	4.9
143.00159	3.6
143.08498	6.0
145.10106	7.6
147.11684	14.2
149.01210	3.0
149.02301	2.6
149.09599	3.4
149.13254	5.0
150.02618	4.1
151.20103	2.4
157.10074	3.5
159.11629	3.6
161.01186	6.3
161.13245	8.9
171.11673	5.5
173.13191	2.6
175.14803	5.1
177.16443	2.6
179.02234	8.1
183.11674	2.9
185.13206	2.5
187.14774	6.9
197.03261	2.9
205.15884	4.3
208.33272	2.7
217.19553	4.8
221.03305	4.3
221.19016	17.1
227.17873	4.9
234.91983	2.5
235.20560	7.9
239.04402	19.8
245.18996	6.6
253.21689	3.9
256.96927	2.6
257.05359	4.5
262.06070	3.4
263.20071	100.0
263.22977	3.4
281.05405	21.3
281.21066	87.9
281.26544	10.0
290.97168	2.6
299.06256	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	281.2113
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
52.70373	1.9
52.89690	1.9
53.03936	5.9
55.01871	2.6
55.05511	28.0
56.87832	1.9
56.96569	15.5
57.03426	4.6
57.07062	6.6
65.03938	2.8
67.05502	65.7
69.03412	3.7
69.07062	31.9
69.96635	6.2
71.04977	6.7
71.08620	4.3
71.65155	1.6
78.56741	1.6
79.05487	62.8
81.03413	2.7
81.07053	60.4
83.04975	10.1
83.08613	25.4
85.06516	2.7
85.10185	2.1
91.05471	40.8
93.07043	100.0
94.07379	2.0
95.04959	8.0
95.08603	48.3
97.06526	16.4
97.10184	10.6
98.97575	20.2
99.08082	2.6
105.07026	28.2
106.71899	2.4
107.08585	46.0
109.06509	7.2
109.10137	23.7
111.08071	8.4
116.98624	8.6
117.06979	5.4
119.08562	22.8
119.58696	1.9
121.06431	2.6
121.10139	70.2
123.08044	6.6
123.11703	9.0
125.09598	2.8
125.13217	1.9
127.07596	2.4
129.07019	4.8
131.08571	13.8
133.10127	25.5
135.08051	4.6
135.11674	32.7
137.09598	11.6
143.00119	2.3
143.08517	3.9
145.10092	10.9
147.11679	20.2
149.01183	2.6
149.09599	7.6
149.13298	9.2
151.11172	6.3
153.09052	2.4
157.10080	4.5
159.11697	6.0
161.01189	3.6
161.13249	13.0
163.11160	4.8
163.14772	2.2
165.12767	4.3
167.10643	2.9
167.80959	1.9
171.11670	4.4
177.00560	2.2
179.02278	3.2
179.14250	3.9
183.11571	1.8
185.13194	4.0
187.14786	2.7
193.01790	3.0
194.81689	2.5
211.02751	2.5
217.15942	2.7
217.19502	5.0
220.11365	2.0
221.03278	2.3
227.17950	14.8
228.15184	2.7
234.04842	2.0
238.27408	2.0
239.04300	9.1
245.18967	13.3
258.15430	2.1
263.20056	71.7
277.00839	2.7
281.05408	8.0
281.18503	3.3
281.21326	9.6
281.27191	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	7.7
55.01880	6.2
55.05265	2.5
55.05509	39.7
55.43209	1.4
57.03437	22.0
57.07056	4.1
65.03914	5.3
67.05503	89.1
69.03410	3.7
69.06723	2.1
69.07069	23.5
69.24072	14.2
69.83595	1.2
71.04969	5.7
78.32970	1.2
78.97527	1.3
79.05495	100.0
80.30196	1.3
81.03425	13.1
81.07058	79.9
83.04983	36.8
83.08629	13.0
85.02882	3.7
85.06544	7.3
88.37852	1.2
91.05479	69.6
93.07046	74.8
95.04967	30.3
95.08608	53.8
97.02911	2.7
97.06547	6.7
97.10171	8.2
98.21472	3.8
98.97561	3.6
99.08037	3.3
103.05401	2.0
105.04498	2.6
105.07031	56.5
107.04959	8.6
107.08600	27.1
109.06513	10.3
109.10156	14.6
111.08054	2.8
113.09614	3.0
115.05484	2.4
117.07004	12.1
119.08583	36.2
121.06483	4.6
121.10132	9.5
123.08058	9.7
123.11690	4.4
125.09578	2.4
127.07519	2.7
128.06195	1.8
128.50386	1.3
129.07008	17.2
131.08556	4.0
133.06454	1.7
133.10130	17.3
135.08069	2.8
135.11650	6.1
137.13228	2.0
139.07591	1.8
139.11156	1.4
143.08582	11.4
145.10129	14.9
147.08029	3.9
147.11685	40.5
149.13304	3.0
156.09291	1.7
159.11676	1.8
161.09552	5.4
161.13240	19.5
169.10025	1.5
171.11684	30.8
175.14793	2.0
177.12808	1.4
189.12762	12.3
207.13763	13.4
221.08096	1.5
245.15219	1.6
245.22696	1.9
263.16415	2.2
263.23914	1.4
281.14218	3.1
281.17419	45.5
281.22266	2.4
281.24927	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	8.5
55.01852	5.8
55.05260	2.4
55.05513	37.2
57.03188	1.5
57.03439	22.8
57.07056	5.9
64.98464	1.7
65.03911	3.4
67.05507	94.5
69.03409	3.4
69.07071	26.4
71.04985	3.6
71.08630	3.1
71.14636	3.2
73.74358	1.8
77.03883	2.1
79.05493	100.0
81.03426	16.0
81.07057	84.1
83.04985	35.2
83.08633	14.2
85.06512	4.9
91.05484	67.2
93.07044	74.4
95.04968	32.9
95.08611	55.6
97.02883	4.2
97.06532	8.7
97.10158	7.7
97.10689	1.6
98.97580	2.5
105.04530	3.2
105.07029	51.0
107.04966	9.5
107.08591	25.4
109.06507	10.1
109.10147	17.0
111.04433	1.7
111.08076	5.0
113.09621	7.2
115.05457	1.8
117.07003	11.2
119.08576	42.3
121.06487	4.7
121.10143	11.9
123.08085	10.7
123.11709	4.4
125.09641	2.4
127.07498	2.1
128.06189	2.6
129.06981	16.9
130.07738	2.0
131.08534	6.6
133.10114	20.4
135.08023	2.4
135.11668	8.4
137.09627	4.3
137.13203	1.7
139.07555	1.9
139.11206	2.2
143.08583	11.5
145.10127	16.4
147.08014	5.0
147.11685	44.4
149.13239	4.8
151.11191	2.5
153.06976	2.3
155.08542	2.9
157.10141	3.4
159.11678	5.2
161.09608	6.3
161.13242	15.8
169.10071	3.9
171.11705	28.6
173.13264	2.4
175.14835	2.9
183.11674	2.1
185.13257	3.2
189.12781	10.4
197.13179	3.4
199.14801	3.3
203.18045	1.9
207.13727	11.3
211.14809	3.7
225.16391	3.0
239.17834	2.7
245.15393	3.2
245.22597	3.6
263.16434	6.4
263.23489	2.0
281.17444	39.7
281.22324	18.1
281.24866	3.1
281.27576	1.9
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	Acrostalic acid
Peak:m/z	Relative Intensity
50.60981	1.7
53.03935	3.2
55.01855	5.8
55.05513	19.3
57.03425	3.4
57.07077	9.8
59.04999	3.6
67.05505	20.2
69.03404	4.6
69.07067	30.5
71.04991	8.5
71.08633	2.9
79.05497	19.2
81.03391	2.1
81.07058	31.4
83.04981	17.2
83.08630	14.4
83.77160	1.9
85.02898	3.4
85.06537	6.9
91.05469	19.9
93.07043	27.9
95.04953	7.2
95.08056	2.4
95.08613	30.8
97.06535	18.1
97.10161	6.2
98.97563	7.8
99.04451	12.1
101.06002	6.3
105.07033	32.2
107.04937	2.7
107.07941	3.0
107.08597	35.0
109.06501	7.9
109.10176	16.9
111.04442	12.1
111.08070	4.9
113.06010	3.5
116.98562	2.9
117.07014	5.5
119.08582	100.0
121.06508	7.0
121.10148	38.2
123.08096	10.4
123.11700	8.1
125.09610	2.5
127.07513	2.2
128.06258	2.4
129.06981	5.0
131.08559	11.1
133.06473	5.1
133.10133	91.5
135.08070	10.0
135.11707	14.8
137.05983	2.7
137.09593	5.0
137.13239	3.1
139.07556	5.2
141.05470	3.2
142.07782	2.1
143.08586	12.1
143.10602	3.6
145.10139	10.2
147.08049	14.5
147.11696	24.7
149.09644	11.8
149.13254	2.4
151.07588	2.8
151.11105	2.8
153.09152	8.2
155.08565	2.7
157.10130	18.7
159.11749	9.3
161.09627	72.6
161.13249	34.6
163.07469	2.0
163.11174	13.9
163.14821	3.7
165.09126	14.0
167.10690	2.3
169.10010	2.1
170.10823	4.2
171.11688	6.6
173.13222	4.3
175.07553	4.4
175.11185	40.3
175.14796	16.6
177.09099	5.2
177.12672	3.8
179.06995	2.9
179.10701	12.5
181.09975	1.8
181.12184	6.9
183.11671	4.3
184.12381	2.1
185.09660	2.9
185.13306	13.8
187.11177	2.2
189.09081	6.9
189.12737	3.9
189.16289	3.5
191.14479	2.0
193.08594	4.3
193.12263	3.4
199.14803	11.4
201.16290	2.6
203.10651	13.6
203.14273	17.0
207.10143	4.3
209.13326	2.7
211.14798	3.9
217.15862	23.4
219.17409	30.9
219.19351	3.1
221.11766	7.5
221.15320	19.8
225.16411	3.9
227.14276	6.2
235.16943	24.1
239.04340	2.5
245.13034	2.6
245.15396	35.5
263.16403	69.2
281.17459	60.9
281.22287	14.1
281.25107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
51.93116	1.6
53.03941	3.7
55.01875	9.1
55.05512	16.8
56.96557	3.2
57.03422	3.5
57.07077	8.8
58.77112	1.6
59.04994	3.5
65.03924	2.3
67.05511	19.1
69.03405	5.0
69.07070	28.5
71.04974	6.3
71.08627	3.4
71.15539	4.3
73.06561	1.7
73.96470	1.7
75.51913	1.8
79.05488	15.0
81.07057	30.6
83.04977	18.9
83.08627	13.6
85.02863	2.9
85.06525	5.6
89.31171	1.7
91.05481	22.7
93.07037	24.9
95.04982	9.1
95.08604	28.2
97.06528	23.3
97.10149	6.4
98.97575	5.9
99.04465	12.4
99.08078	3.3
100.31203	1.8
101.06010	7.1
105.07048	32.1
107.04985	2.5
107.08594	36.1
109.06509	7.3
109.10156	14.1
111.04417	14.2
111.08051	4.4
113.06020	4.3
115.07526	4.3
116.98642	3.7
117.06975	5.0
119.08582	94.0
121.06502	6.8
121.10134	40.1
123.08067	10.0
123.11691	8.4
125.09642	3.6
127.07530	3.0
129.06976	5.6
131.08551	11.3
132.82921	2.2
133.06491	6.4
133.10132	100.0
135.08032	11.3
135.11690	13.5
137.05911	2.4
137.09651	4.0
137.13281	2.7
139.07544	4.2
139.11249	2.7
141.05492	3.0
142.07773	6.6
143.08578	11.9
145.10135	14.8
147.08058	18.5
147.11673	25.8
149.09633	12.6
149.13234	4.5
151.07593	3.4
153.09076	8.3
155.08621	3.3
157.10127	19.2
159.11667	6.9
161.05949	2.7
161.09628	72.0
161.13249	36.7
163.11201	15.1
165.09171	11.3
169.10098	4.3
170.10884	2.8
171.08148	2.4
171.11749	3.4
173.13274	6.9
175.07611	3.0
175.11185	42.5
175.14839	18.1
176.12027	2.0
177.12733	5.0
179.10692	10.8
179.14494	2.1
181.10088	2.3
181.12193	6.6
183.11664	3.9
185.09523	2.8
185.13266	13.4
189.09111	4.1
189.12669	2.6
189.16385	4.1
193.08575	5.6
193.12210	7.9
194.50189	2.3
197.13177	2.2
199.14851	10.0
203.10748	14.0
203.14319	23.4
207.10138	5.3
209.13246	3.5
211.14755	4.0
217.15865	23.3
219.17435	31.9
221.11736	6.6
221.15321	18.7
225.16371	4.6
227.14282	7.2
235.16904	26.1
245.15398	39.2
263.16443	69.2
263.23932	2.2
281.17462	72.5
281.22287	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	281.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	1.6
55.04246	2.9
55.05516	0.5
56.96555	1.2
57.03429	0.4
57.07059	0.5
61.02929	0.4
69.03416	1.4
69.07064	0.5
71.41292	0.7
73.06543	0.5
81.03438	0.7
81.04536	12.3
81.07054	0.5
82.05314	8.4
83.08598	0.4
85.02898	2.8
91.05491	1.0
93.01007	0.4
95.08626	0.8
97.02898	1.0
98.97610	2.3
101.05990	0.4
105.07018	0.7
108.05573	1.1
109.99886	0.3
110.07144	0.5
115.05473	0.4
116.98608	0.7
121.06590	0.4
122.07149	20.0
123.07930	100.0
127.03900	0.7
128.02390	0.5
129.06932	0.4
136.06177	4.6
136.07248	0.5
136.07616	0.4
136.21056	0.3
136.33301	0.4
145.04967	0.7
148.46606	0.4
150.02666	0.4
151.02930	0.6
151.07484	0.4
155.06981	0.4
158.99603	0.6
160.04279	1.0
162.04135	0.8
163.03828	0.5
165.07739	5.7
167.07082	0.5
182.02768	0.4
187.07562	0.5
191.03874	0.4
201.05499	0.5
203.07036	0.7
207.10097	0.5
219.01747	0.8
219.06532	0.9
235.05377	0.4
239.04369	0.4
251.09517	0.4
264.07849	0.5
266.99872	0.5
281.10657	68.6
282.11023	0.9
283.03040	1.1
299.06192	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	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89684	0.2
55.01846	0.2
55.05490	0.5
56.05017	0.7
56.96547	0.5
57.03433	0.3
57.67874	0.2
61.02900	0.2
67.05489	0.4
69.03420	0.5
69.07068	0.3
70.81834	0.5
71.04993	0.3
72.49175	0.2
73.02914	0.3
74.05695	0.2
74.06079	2.2
79.05508	0.3
81.03404	0.8
81.07051	0.5
83.08611	0.5
85.02925	0.9
89.03899	0.3
91.05466	0.3
92.02452	0.2
93.03320	0.2
93.07040	0.3
94.04043	0.4
95.04969	0.3
95.08598	0.6
97.02868	0.4
98.97594	1.1
99.04473	0.2
101.09599	0.2
102.05533	1.0
103.03911	0.3
103.05453	0.4
105.07030	0.5
107.04987	0.2
107.08614	0.3
109.06511	0.2
109.10155	0.2
111.04404	0.2
115.05477	0.3
116.98633	0.4
117.03376	0.3
117.06994	0.2
119.03549	4.9
119.08598	0.2
120.06586	5.1
121.06465	0.2
123.07967	0.3
127.03893	0.3
128.98607	0.2
131.04945	0.8
131.08606	0.2
133.06493	0.5
133.10117	0.2
135.04427	0.7
136.06190	100.0
137.04582	3.1
143.00145	0.3
144.05722	0.2
145.02876	0.4
145.06487	0.4
147.04364	0.3
147.08125	0.2
147.09166	4.1
151.07504	0.3
155.08682	0.2
157.06564	0.2
161.05989	0.3
162.04115	54.3
163.03853	1.5
163.07506	0.3
163.11209	0.2
165.09137	0.3
166.06322	0.2
167.07045	0.4
173.06006	0.4
175.07608	0.3
177.00803	0.3
177.05531	0.2
181.04942	0.4
187.07541	0.2
189.05612	0.3
191.03363	0.2
191.07063	1.2
201.05595	0.3
203.07086	0.5
206.05783	0.5
217.08589	0.3
219.01860	0.2
219.06607	0.5
221.08087	0.5
235.09541	0.3
251.09131	0.3
263.08975	0.9
263.13501	0.2
281.10019	10.0
281.14828	5.7
299.06168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01880	1.9
55.05510	17.9
56.96568	2.8
57.03432	5.5
57.07076	13.9
59.97272	1.2
61.02933	1.3
62.26483	1.2
62.86801	1.2
65.03947	1.4
67.05159	2.4
67.05505	39.8
69.03429	8.8
69.06705	2.1
69.07070	28.4
69.24293	6.8
69.24718	6.1
71.01347	1.6
71.04990	9.6
71.08634	2.9
73.02912	6.0
75.04503	6.2
79.05495	13.2
81.03431	1.7
81.07059	100.0
82.07420	1.2
83.04974	5.6
83.08631	11.4
85.02905	42.2
85.06537	4.5
85.10207	1.7
91.05484	6.0
93.07048	18.7
95.04971	3.4
95.08608	96.4
97.02897	8.2
97.06552	3.2
97.10175	14.0
98.97591	11.8
99.04449	1.5
99.08080	1.7
105.04607	1.3
105.07042	4.8
107.08598	13.1
109.06518	1.5
109.10159	39.7
110.97576	3.7
111.04457	3.3
111.08061	2.0
111.11731	4.6
113.02345	1.6
115.03940	8.8
116.98634	5.1
119.08595	3.1
121.02853	3.0
121.10149	11.4
123.11710	15.2
125.09676	1.4
127.03934	2.3
128.98628	2.8
129.05486	7.7
131.08569	1.7
133.10130	2.2
134.50717	1.2
135.08084	2.0
135.11682	11.3
137.13283	8.4
139.03899	1.6
145.10130	1.7
147.06526	5.4
147.11710	2.2
149.02348	64.4
149.13268	9.4
151.14830	4.2
158.99673	5.8
161.13361	1.7
163.11151	1.2
163.14841	2.6
165.16423	2.4
170.06488	1.2
171.06517	1.6
177.00684	7.2
177.16374	2.0
179.18095	1.2
189.00703	2.3
191.17940	1.4
201.04570	1.4
205.19583	1.7
219.05713	4.1
225.07651	2.2
249.31329	1.2
261.14859	1.9
261.18768	1.6
261.22043	2.0
261.25763	2.8
279.09488	5.6
279.15991	2.8
279.19455	1.8
279.23413	2.9
279.26846	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	279.2431
Annotation	Huperzine J
Peak:m/z	Relative Intensity
55.05516	0.3
60.33992	0.3
62.18869	0.3
69.03433	1.1
69.07074	0.5
69.38596	2.6
70.06586	4.1
81.07050	0.5
83.08630	0.3
85.02896	0.6
93.07016	0.5
95.08615	0.7
97.02859	0.4
98.06057	38.7
98.20775	0.7
98.97581	1.0
105.07037	0.4
107.08629	0.4
124.22408	0.3
126.09156	100.0
127.09516	0.7
133.10170	0.5
145.10184	0.3
149.02325	3.6
152.25377	0.3
160.72453	0.3
173.09631	0.4
176.76620	0.4
279.24319	81.1
280.24658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03953	1.5
55.01872	1.6
55.05507	13.1
56.96568	2.3
57.03433	1.5
57.07071	10.6
57.73123	0.7
65.03939	4.3
67.05502	100.0
69.07064	13.5
69.50888	5.6
71.04990	2.7
71.08613	0.7
73.06568	0.6
79.05038	0.5
79.05486	16.7
81.07053	93.3
83.04987	2.6
83.08621	7.8
85.02915	1.6
85.06544	2.5
91.05479	8.5
93.07048	14.7
95.04963	2.5
95.08604	83.3
96.08889	0.9
97.06532	3.1
97.10168	4.6
98.97572	9.9
105.07026	6.7
105.73049	0.7
107.04929	0.9
107.08596	12.0
109.06547	1.4
109.10153	48.5
110.97599	2.2
111.04473	1.5
111.08067	1.9
111.11701	1.2
116.98616	4.5
117.07034	2.0
119.08585	6.7
121.02921	2.1
121.06522	0.8
121.10140	10.4
123.08044	2.2
123.11705	22.4
125.09599	0.9
127.07565	0.9
128.98616	1.6
131.08568	5.2
133.10124	4.6
134.99661	1.7
135.08041	1.8
135.11702	7.2
137.09633	1.2
137.13222	8.5
141.09138	0.8
145.10103	3.7
147.11707	3.3
149.02336	47.9
149.09634	2.5
149.13232	4.9
151.14832	3.2
153.09126	0.8
158.99698	2.8
159.11722	3.5
161.13283	2.5
163.11159	2.1
163.14845	2.5
165.12808	1.1
165.16454	1.2
167.10715	0.8
173.13232	3.1
177.00731	4.0
177.12729	1.2
179.14288	1.1
181.12271	0.8
187.14777	3.5
189.00713	2.0
191.14268	1.4
195.13847	2.3
197.36273	0.8
198.81532	0.8
201.16466	1.4
207.01741	1.3
209.15366	2.6
219.05870	1.2
219.21014	1.3
219.56833	0.9
223.16963	3.1
225.16530	0.8
237.18504	1.5
243.17322	1.1
243.21091	3.2
261.18512	3.0
261.22086	5.4
279.09363	2.0
279.19696	4.0
279.23169	40.2
280.23468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.93375	0.8
53.03941	1.8
55.01866	3.7
55.05265	1.1
55.05515	18.7
56.96551	0.8
57.03446	4.5
57.07077	10.3
60.31645	0.8
61.36256	0.8
62.45458	0.7
65.03933	3.2
67.05507	82.5
68.58678	0.7
69.03414	2.6
69.07071	33.2
70.00058	1.5
70.00462	2.8
71.04693	0.7
71.05002	8.5
71.08633	1.5
73.06566	1.1
79.05053	1.7
79.05498	28.0
81.03423	1.2
81.07059	100.0
83.04530	0.8
83.04988	5.8
83.08628	14.4
85.02904	4.7
85.06541	6.1
85.10168	1.3
91.05486	12.6
93.07049	31.4
95.04961	3.3
95.08610	81.8
97.02901	1.6
97.06531	9.2
97.10169	7.3
98.21404	1.3
98.97578	5.0
99.08064	1.8
105.07046	11.8
107.08599	22.6
109.06540	2.3
109.10159	40.6
111.08066	3.9
111.11723	1.1
115.03954	1.2
116.98627	2.5
117.07042	4.1
119.08600	10.0
121.02846	2.1
121.09295	1.6
121.10149	21.7
123.08074	2.8
123.11719	19.5
125.09625	2.7
127.11227	0.9
128.98607	0.8
129.05435	0.9
131.08575	9.3
133.10135	9.2
135.08098	1.4
135.11694	16.5
137.09569	1.8
137.13257	8.3
139.11157	1.3
145.10150	6.7
147.11685	10.5
149.02350	39.9
149.09599	2.0
149.13264	7.3
151.11192	2.5
151.14819	2.8
153.12863	0.8
157.22745	0.8
158.99716	2.4
159.11691	4.5
161.13258	7.3
163.11176	1.6
163.14844	3.5
165.12766	3.2
165.16368	0.9
173.02922	1.0
173.11884	1.2
173.13219	4.3
175.14789	2.0
177.00758	1.8
177.16408	1.9
179.14339	1.4
181.12404	0.9
187.14783	2.1
195.13841	1.0
201.16350	1.5
203.17929	1.4
205.15858	1.9
209.15346	1.7
219.20964	0.9
223.16875	1.9
223.20636	1.6
225.07361	1.1
233.22592	1.2
237.18544	1.4
243.21086	9.4
261.22168	25.5
279.15994	2.5
279.23206	68.7
297.16907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03949	1.4
55.01861	3.2
55.05260	1.5
55.05510	21.3
57.03438	1.5
57.07076	6.3
63.89766	1.0
65.03923	4.0
67.05505	100.0
69.03403	1.6
69.06714	1.9
69.07069	26.0
70.55643	2.7
71.04975	5.1
71.08595	1.4
79.05055	1.6
79.05497	26.0
81.07059	99.8
83.04966	2.3
83.08626	13.5
85.06539	4.5
91.05477	15.4
93.07047	32.3
95.04953	2.5
95.08608	84.5
97.06544	7.5
97.10204	6.9
99.08117	2.1
101.06067	1.3
105.07036	10.5
107.08600	23.0
109.06535	2.2
109.10161	40.9
111.08102	5.5
111.11726	1.5
117.07013	4.2
119.08573	11.9
120.96025	1.1
121.06518	1.2
121.10150	18.8
123.08057	4.4
123.11698	18.1
125.09658	1.5
127.07538	1.4
131.08578	9.1
132.97231	1.2
133.10143	8.8
135.08060	2.3
135.11708	15.4
137.09639	2.1
137.13225	8.6
139.11156	1.6
145.10136	4.3
147.11696	9.2
149.02341	18.9
149.09596	3.3
149.13258	7.0
151.11194	2.2
151.14851	2.3
159.11723	4.0
161.13266	9.0
163.11142	2.3
163.14818	2.9
165.12753	2.2
167.14378	1.1
173.05170	1.5
173.13226	4.6
175.14847	3.3
177.12740	1.8
177.16449	2.0
179.14365	1.9
187.14893	2.0
195.13797	2.0
201.04691	1.7
205.15860	1.4
215.18207	1.2
219.05725	6.4
223.16946	2.0
243.21021	9.3
251.23721	1.8
261.22156	21.9
279.09393	10.4
279.11972	1.6
279.23193	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	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03951	1.6
55.01860	3.3
55.05510	20.5
57.03429	5.0
57.07080	6.7
62.54777	0.6
63.79441	0.7
65.03945	3.0
66.61221	0.5
67.05505	86.5
69.03421	3.5
69.07069	26.6
71.04995	8.8
71.05361	1.0
71.08659	0.6
71.60989	0.9
73.02917	1.3
75.04481	1.2
79.05492	30.4
81.07056	100.0
83.04979	4.5
83.08620	13.6
85.02902	11.9
85.06537	6.0
87.04482	0.7
91.05479	14.0
93.07047	34.4
95.04964	1.9
95.08607	83.1
97.02892	2.8
97.06535	8.8
97.10161	7.0
98.97561	3.3
99.08110	2.4
101.05941	0.7
105.07024	12.4
107.04976	0.8
107.08594	21.7
109.06524	2.3
109.10155	41.0
110.97563	0.9
111.04413	1.0
111.08081	5.9
111.11742	1.6
113.09663	0.7
115.03950	2.1
116.98637	2.0
117.07025	3.9
118.02348	0.7
119.08585	10.1
121.02885	1.5
121.06581	0.8
121.10149	23.8
123.08090	4.2
123.10811	1.1
123.11704	18.1
125.09647	2.7
127.07590	1.0
129.05493	2.0
131.08565	7.7
133.06470	1.1
133.10129	9.6
135.08067	3.4
135.11696	16.5
135.65317	0.6
137.09645	2.2
137.13258	8.5
139.11194	1.8
145.10132	6.8
147.06520	1.4
147.11684	9.9
149.01129	1.1
149.02342	21.8
149.09634	2.3
149.13283	7.4
151.11151	2.9
151.14801	2.8
153.12721	1.3
158.99689	1.6
159.11655	4.8
161.13277	8.2
163.11208	1.9
163.14830	4.2
165.12779	2.8
165.16460	0.9
167.10695	1.4
167.14346	1.1
170.99780	0.6
171.06401	0.7
173.11826	0.9
173.13194	4.9
175.14861	2.8
177.00716	1.7
177.12723	1.5
177.16400	1.9
179.14377	2.3
181.12215	1.6
187.14806	3.3
189.16479	0.9
191.14348	1.2
195.13783	1.0
201.16335	1.1
209.15363	2.2
223.16980	1.7
223.20638	0.9
233.19269	0.6
233.22527	1.4
237.22128	0.9
243.21065	9.6
261.19336	1.3
261.22144	22.6
270.84216	0.6
279.23187	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Hedaol B
Peak:m/z	Relative Intensity
51.28394	1.1
53.03939	3.8
55.01863	4.0
55.05507	23.4
56.96552	2.2
57.03436	5.9
57.07072	12.1
65.03928	4.4
66.41971	1.1
67.05503	96.8
69.03437	7.0
69.07066	23.8
70.21234	3.9
70.21623	2.2
71.04990	8.9
73.02914	3.7
74.27247	1.2
75.04459	3.2
79.05492	33.1
81.03390	1.3
81.07056	100.0
83.04972	6.5
83.08617	16.8
85.02902	31.5
85.06548	4.4
91.05476	17.0
93.07043	31.9
95.04950	3.9
95.08607	93.3
97.02889	6.3
97.06531	11.7
97.10158	9.4
98.97581	15.8
99.04350	1.3
99.08091	2.4
103.05479	1.8
105.07021	14.1
107.04974	1.3
107.08582	20.4
109.06518	3.4
109.10151	39.0
110.97578	2.7
111.04458	3.1
111.08074	7.0
113.05957	1.5
115.03957	5.9
115.05438	1.1
116.98639	5.9
117.06994	7.2
119.08578	23.6
119.25051	1.2
121.02856	3.5
121.06506	4.2
121.10152	24.2
123.08050	4.9
123.11697	14.8
125.09618	4.8
128.98573	2.9
129.05492	6.8
131.08566	9.7
133.10147	10.7
134.99690	1.8
135.08046	5.2
135.11662	15.9
137.09595	2.9
137.12341	1.6
137.13226	9.0
139.03903	2.3
139.07527	1.9
145.06487	1.9
145.10135	9.8
147.06508	4.8
147.10585	1.6
147.11674	10.4
149.02341	65.0
149.09567	3.3
149.13228	4.3
151.11203	2.0
151.14801	2.4
153.09108	19.9
153.12773	1.4
157.10115	1.9
158.99634	5.2
159.08138	1.4
159.11668	7.3
161.13290	8.9
163.07539	11.3
163.11147	1.4
163.14874	2.1
165.12726	2.7
167.10507	1.2
170.99727	1.8
171.11685	1.3
173.11877	1.5
173.13185	6.0
175.14877	2.9
177.00777	5.6
179.14310	2.6
187.14806	22.6
189.00668	3.8
189.16396	1.2
195.13780	1.4
196.20169	1.2
205.15758	1.5
207.01741	1.9
215.14404	5.6
219.05696	2.2
223.14781	1.4
223.16873	1.9
233.15434	10.8
243.21120	4.2
251.20155	1.4
261.14932	7.6
261.18436	2.8
261.22119	12.1
279.09311	3.6
279.15698	45.9
279.19473	11.2
279.23175	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Hedaol B
Peak:m/z	Relative Intensity
52.19548	0.7
53.00317	0.7
53.03943	1.9
55.01864	2.4
55.05510	20.3
56.96564	2.9
57.03439	4.2
57.07077	12.0
59.04990	1.3
65.03938	5.0
67.05504	91.2
69.03427	2.6
69.07068	21.5
69.44167	6.5
71.01344	1.1
71.04989	6.2
71.08620	0.8
73.02914	2.1
73.06606	0.8
75.04484	2.0
79.05491	29.3
81.03415	1.4
81.07056	100.0
83.04987	4.8
83.08622	14.4
85.02898	16.0
85.06557	4.0
87.04472	1.7
91.05473	15.8
91.05998	1.4
91.12415	0.8
93.07041	30.1
95.04981	3.5
95.08604	98.0
96.66998	0.8
97.02895	3.7
97.06532	11.9
97.10164	8.8
98.97575	11.0
99.04426	1.2
99.08080	2.0
103.05440	0.7
105.07034	13.5
107.04953	1.1
107.08598	19.1
109.06528	3.1
109.10154	43.7
110.97557	2.3
111.04458	1.6
111.08089	6.9
111.11736	2.3
113.06045	0.9
113.09617	0.9
114.41853	0.8
115.03899	3.7
116.98624	6.3
117.07012	4.4
119.08578	13.2
121.02861	3.5
121.06516	2.9
121.10139	23.6
123.08062	4.2
123.11707	15.9
125.09637	2.4
125.11925	0.8
128.98633	2.2
129.05502	2.7
131.08562	7.4
132.64397	0.8
133.10124	9.2
134.99661	1.7
135.08057	4.4
135.11688	14.4
137.09615	3.3
137.13255	8.4
139.11137	1.9
145.06575	1.0
145.10110	7.2
147.06552	2.1
147.11682	11.2
149.02342	76.3
149.09627	3.2
149.13243	5.1
151.11183	2.6
151.14816	2.6
153.09099	6.7
155.08563	0.9
155.56999	0.8
158.99690	4.0
159.11661	4.7
161.13261	8.9
163.07542	4.2
163.11185	2.7
163.14841	3.1
165.12769	3.2
167.10638	1.6
169.12268	0.8
170.99683	1.4
173.13280	4.5
175.14841	2.4
177.00710	4.8
177.12701	1.4
177.16386	1.5
179.14299	3.2
187.14821	9.3
189.00755	3.6
191.14291	1.0
195.11787	1.0
195.13695	1.8
197.15292	0.7
201.12685	0.8
201.16483	2.0
207.01779	1.5
215.14314	2.4
215.17944	1.3
219.05753	2.7
219.21133	1.1
223.16908	1.7
233.15329	3.9
243.21098	6.3
261.14828	2.8
261.18280	1.0
261.22177	12.2
279.09296	5.6
279.15729	18.8
279.19620	4.5
279.23203	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	279.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.03424	2.7
57.07056	3.1
59.04983	1.3
67.05497	1.8
69.03423	3.8
69.07060	3.2
70.11339	1.5
70.11731	1.6
71.01326	0.8
71.04991	5.4
71.08617	0.9
73.02899	3.2
75.04470	3.0
79.05473	1.7
80.58202	0.7
81.07068	5.7
83.04951	3.8
83.08610	1.4
85.02418	1.3
85.02903	21.2
91.05496	1.2
93.07037	1.8
95.04972	1.3
95.08597	6.0
97.02895	4.8
98.97575	0.9
105.07001	1.0
107.08595	2.1
109.06525	1.1
109.10140	2.7
111.04406	1.7
115.03945	3.9
119.08553	0.9
121.02802	1.6
121.10135	1.3
123.11653	1.1
125.20518	0.9
129.05473	4.3
135.11676	1.3
139.03893	1.1
147.06552	2.5
149.02351	19.8
149.64880	0.8
152.97983	0.7
159.11754	0.8
187.32715	0.7
261.22293	0.9
279.19299	100.0
297.37073	0.7
301.09705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
56.05062	0.8
57.03423	2.1
57.07070	3.8
57.81995	0.8
64.48194	0.8
67.05507	5.2
69.03416	3.1
69.07071	6.3
70.79179	1.5
70.79549	1.8
71.04990	4.1
73.02906	2.6
75.04470	3.0
79.05489	2.0
81.07050	6.2
83.04963	1.7
83.08607	1.4
85.02411	1.3
85.02906	20.0
91.05468	1.0
93.07027	2.5
95.04991	1.3
95.08602	6.9
97.02907	3.7
97.06541	0.9
97.10122	0.8
103.83752	0.7
107.08588	3.6
109.10160	5.3
111.04456	1.7
111.11684	1.1
115.03916	3.4
117.06998	0.9
119.08573	1.7
121.10138	2.2
123.11717	2.1
129.05482	4.6
131.08549	1.8
131.53645	0.8
133.10059	0.8
135.11668	2.4
137.13271	0.9
139.03893	0.9
145.10167	1.3
147.06458	1.7
149.02347	18.2
225.07491	1.0
238.43462	0.8
261.14899	0.9
261.34030	0.7
279.19293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62970	1.2
53.03942	1.8
55.01868	2.8
55.05508	7.7
56.96568	3.3
57.03435	2.4
57.07078	13.9
65.03645	2.1
65.03944	27.0
67.05511	7.7
69.03429	13.7
69.46579	8.3
69.46991	2.3
71.04990	7.3
71.08632	1.9
77.69975	1.1
79.05493	6.1
81.03427	1.7
81.07045	6.0
83.04986	8.1
83.08604	1.3
83.28962	1.2
85.02912	12.6
87.04435	1.5
89.06033	24.7
91.05479	11.1
91.99096	1.3
93.03412	32.9
93.07043	6.9
95.04975	17.8
95.08606	59.2
97.02907	8.9
98.97585	17.6
99.04451	3.6
102.96943	1.5
105.07021	9.1
107.04980	1.7
107.08576	4.4
109.02872	2.5
109.06467	1.4
109.10188	1.2
110.97556	4.3
111.04447	23.8
113.02354	2.0
113.05947	1.8
115.05476	1.8
116.01620	2.9
116.98601	6.3
117.07040	8.3
119.07774	2.5
119.08574	32.9
121.02870	66.0
121.06471	4.6
123.04463	3.1
123.08065	12.4
127.03907	6.0
128.06215	5.0
128.98579	2.8
129.06984	7.3
129.73637	1.2
131.04935	2.1
131.08572	5.7
133.10094	4.5
134.99640	2.0
135.08110	3.2
137.06003	1.8
139.03899	45.9
139.07495	2.3
141.06987	5.1
142.07706	2.1
143.08562	5.8
145.04922	2.1
145.06459	2.9
145.10078	5.0
147.04402	2.7
147.08044	8.1
149.02342	100.0
149.06023	2.0
151.07616	1.4
154.07797	1.4
155.08568	3.2
155.49135	1.3
156.09340	17.4
158.07220	2.6
158.99670	6.5
159.07996	4.0
159.11687	5.5
161.05939	2.0
161.09552	3.5
162.02162	5.6
163.07532	1.6
165.07091	1.6
167.03438	2.0
169.10136	4.3
170.99702	2.2
171.11714	11.5
172.08806	1.9
173.06009	3.1
173.09584	6.2
173.13203	2.5
175.07545	23.1
175.11115	1.8
177.00737	7.7
177.05460	2.0
179.03416	3.0
181.04973	4.4
182.07428	1.4
184.08859	2.8
187.11192	9.9
189.00693	3.1
189.09190	1.3
189.12772	2.7
191.06929	1.5
192.03580	1.4
193.08595	14.3
197.09660	7.9
199.09457	2.3
199.11195	34.7
199.13020	1.7
201.04178	1.6
205.08566	1.7
205.12248	3.2
215.10692	19.8
217.12231	11.7
219.01682	2.0
219.06371	1.5
225.08855	1.7
233.08121	1.6
233.11699	15.1
235.13393	3.2
237.02840	2.0
239.02319	1.7
243.10283	4.0
251.09282	1.4
261.11261	5.6
279.09039	2.0
279.12271	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	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01868	1.4
55.05499	1.2
56.96312	0.7
56.96556	4.8
57.03436	3.7
57.07075	15.0
61.02920	2.7
65.03938	5.4
67.05510	3.9
69.03428	16.9
69.07084	0.9
69.70452	4.9
71.04992	18.7
73.02910	2.5
79.05492	4.2
81.03420	9.5
81.07044	2.7
83.04971	2.9
84.96060	0.8
85.02905	32.0
85.03419	1.7
89.06035	69.0
91.05490	2.9
93.03403	7.0
93.07034	1.7
95.04981	6.0
95.08607	11.4
97.02897	9.6
97.06551	0.9
98.97582	16.0
99.04469	5.3
99.08106	0.8
103.03951	1.1
103.05502	0.9
105.03410	9.3
105.07026	2.5
107.04970	1.0
107.08659	1.1
109.02879	7.8
109.06548	1.1
109.10151	1.2
110.97569	2.8
111.04443	6.6
115.03963	1.0
116.98604	9.2
117.07024	1.9
119.04915	1.0
119.08579	5.1
120.08128	1.5
121.02872	14.5
123.04432	2.9
123.08086	1.7
127.03057	1.6
127.03920	16.1
128.06262	1.0
128.98598	2.4
129.07016	0.9
131.04929	1.7
131.08597	2.1
133.06496	2.1
133.10179	1.3
134.99660	3.2
135.04454	1.4
135.08052	1.5
137.06010	0.9
139.03915	8.7
141.06967	1.3
143.00230	1.3
143.08551	1.2
145.04965	6.3
145.06470	2.4
146.99637	2.2
147.04427	2.7
147.08025	1.1
149.02347	100.0
151.07520	1.6
153.05463	1.7
156.09308	2.8
158.99681	6.7
159.08002	1.2
159.11606	1.8
161.05945	1.2
161.09575	1.0
163.03894	3.0
167.03406	2.6
170.99661	1.0
171.11699	1.6
173.05962	1.3
173.09683	1.0
175.07474	3.8
177.00719	9.6
181.05002	1.9
187.11105	1.6
189.00745	1.9
193.08661	2.4
195.01884	0.9
197.09651	1.1
199.11171	5.6
205.08624	1.8
213.00966	0.8
215.10675	4.3
217.07059	1.9
217.12254	1.2
219.01741	1.0
219.06314	1.0
221.08075	1.0
233.08044	1.8
233.11728	3.3
235.08015	1.1
237.02840	2.2
239.02335	1.0
261.07568	0.8
279.03915	1.0
279.08813	4.6
279.12448	6.5
279.15979	1.6
279.23572	0.9
298.81998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05504	7.3
55.27657	2.3
56.70800	2.4
57.03445	16.0
57.07074	6.0
57.42695	2.4
59.05001	2.8
61.02924	3.3
67.05491	9.8
69.03436	23.4
69.07050	9.6
71.01353	3.6
71.04999	21.8
71.34352	3.7
71.34694	4.0
73.02917	16.2
73.04684	2.6
75.04476	11.1
79.05465	3.9
81.07055	17.6
83.04953	9.4
83.08598	3.7
85.02908	100.0
85.06525	4.0
85.74747	2.4
87.04478	3.9
91.05454	4.8
93.07032	5.7
95.08601	14.1
97.01639	2.5
97.02898	21.4
98.21442	2.6
101.06052	3.0
102.56802	2.3
107.08595	4.6
109.02866	3.8
109.10153	9.8
111.04418	5.4
115.03947	17.7
119.08553	3.8
121.10155	3.4
123.11655	3.4
129.05499	20.5
139.03897	6.6
147.06517	16.4
147.11665	2.8
149.02354	30.5
157.04982	2.6
171.06573	2.5
279.15845	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	279.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
57.03427	16.8
57.07086	4.0
61.02919	4.0
62.21701	2.3
65.04738	2.3
66.91068	2.4
67.05495	4.8
67.47417	2.3
68.89426	2.1
69.03429	17.6
69.07063	5.4
70.98019	5.6
71.01353	5.3
71.04986	21.5
71.11150	2.5
73.02917	14.6
75.04478	12.7
81.03396	3.1
81.07069	9.6
82.86116	2.1
83.04961	8.8
83.08589	2.6
85.02904	100.0
87.04517	2.6
95.08606	7.6
97.02892	20.7
102.40875	2.3
105.07044	2.7
107.08546	2.6
109.10159	2.7
111.04416	6.6
115.03950	17.3
117.37862	2.5
129.05499	22.8
139.03885	4.6
144.43718	2.5
147.06523	10.9
149.02342	20.0
171.06444	3.7
173.85367	2.3
200.17137	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	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05514	7.6
57.03437	13.6
57.07071	9.5
59.05004	2.1
61.02921	2.7
67.05502	8.5
69.03425	18.9
69.07072	6.9
70.40762	6.8
71.01329	3.4
71.04994	19.2
73.02927	15.2
73.24350	1.8
75.04492	9.7
79.05492	6.6
81.03419	2.0
81.07061	13.7
83.04994	9.7
85.02906	100.0
87.04474	3.0
91.05489	3.9
93.07037	7.7
95.04958	1.9
95.08637	9.0
97.02898	22.4
97.06501	3.3
97.10141	2.4
98.97620	2.5
99.04440	2.8
105.07027	3.6
107.08580	5.2
109.10157	6.8
111.04455	7.7
115.03930	22.8
119.08598	4.0
121.02885	3.5
121.06532	2.6
121.10172	5.7
123.08074	2.2
123.11642	2.1
127.03941	2.6
129.05467	19.1
131.08594	3.4
133.10135	3.4
135.11732	3.7
139.03928	4.6
145.10095	2.5
147.06491	10.8
147.11761	2.3
149.02345	57.4
182.81387	1.8
187.14714	3.3
225.07527	4.4
233.15463	1.9
243.08598	2.2
261.18549	1.9
279.15826	4.6
279.23560	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	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23940	1.0
52.35873	1.2
53.03940	4.6
55.01860	4.3
55.05517	9.5
56.96556	3.9
57.03437	7.5
57.07074	14.5
59.04980	1.4
61.02908	2.5
65.03944	2.1
67.05505	21.5
69.03433	12.1
69.07067	10.1
71.01349	2.7
71.05000	13.9
71.08636	1.9
71.31315	2.2
73.02912	8.4
75.04476	6.4
75.52274	1.0
79.05499	12.1
81.03419	4.0
81.07058	29.9
83.04980	10.3
83.08607	4.9
85.02906	59.9
85.06519	2.2
87.04450	2.1
91.05460	8.2
93.03400	1.3
93.07049	15.6
95.04949	5.0
95.08609	28.7
97.02901	13.5
97.06516	5.4
97.10135	1.5
98.97584	14.2
99.04437	2.4
99.08064	3.2
101.02359	1.2
101.05991	1.3
102.05293	1.0
103.03922	1.1
105.07018	10.0
107.04951	4.7
107.08588	12.9
109.02807	1.6
109.06522	3.3
109.10159	16.8
110.97581	2.7
111.04452	9.5
111.08061	2.8
115.03925	10.8
116.98627	7.7
117.07002	3.3
119.08576	10.8
120.41062	1.2
121.02855	4.5
121.06477	1.6
121.10146	10.9
123.04429	1.5
123.08059	3.8
123.11683	4.9
125.05958	2.5
127.03886	2.0
128.98593	3.6
129.05473	12.1
131.08575	5.1
133.04958	1.9
133.10107	9.5
134.99660	2.5
135.08075	2.2
135.11674	6.0
137.09546	2.1
137.13242	3.1
139.03909	2.8
139.07550	1.7
139.11102	1.5
139.67749	1.3
145.10091	7.1
147.06564	5.4
147.11658	4.1
149.02345	100.0
149.09579	2.0
151.11073	1.4
153.09071	2.0
157.10121	2.0
158.99614	3.4
159.11667	7.2
161.13229	3.8
163.11191	1.9
163.14850	1.8
165.12715	1.2
167.10733	1.9
169.10109	1.9
170.99669	3.5
171.06491	2.6
173.09514	1.4
173.13286	4.2
175.14839	3.1
177.00706	7.8
177.16354	2.8
183.11711	1.5
185.13171	1.4
187.14816	2.7
189.00658	3.6
201.16380	4.8
203.14310	2.2
207.01816	1.6
215.18004	6.8
217.15909	1.3
219.01878	1.4
219.05693	3.7
219.17468	8.1
221.15331	1.5
225.07645	4.1
233.15111	1.2
233.18959	4.1
243.08707	1.4
243.17453	6.6
243.21129	1.6
261.15112	2.1
261.18506	25.6
261.22015	3.6
279.09299	4.9
279.16006	2.4
279.19321	8.1
279.23373	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51966	0.6
56.96567	7.2
57.07071	2.3
58.06312	0.6
66.90578	0.7
68.51464	0.6
70.21337	2.2
71.95261	1.7
85.81392	0.5
86.29432	0.5
98.97590	100.0
102.96879	0.6
104.99282	2.5
110.97581	19.9
112.99133	0.7
116.98632	36.7
121.02840	0.6
128.98613	14.9
128.99544	0.9
134.99663	9.0
140.00191	3.1
146.99669	5.9
149.02367	9.5
152.00156	1.2
158.01268	1.1
158.99667	34.5
170.99655	9.5
172.19806	0.5
177.00720	33.5
182.99677	1.3
189.00726	18.2
195.01854	3.6
200.02293	4.3
201.00748	2.1
207.01782	8.3
212.02342	1.5
219.01794	5.9
225.03123	0.6
230.03429	1.3
232.96318	0.6
233.10754	0.6
237.02826	5.5
249.02855	1.3
255.03862	1.6
260.04404	0.8
279.03891	5.4
287.35739	0.6
297.04907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59732	14.3
85.00851	8.8
85.02901	10.2
98.12693	10.2
98.97580	43.1
110.97560	9.8
116.98627	11.7
132.18855	9.6
136.39279	8.9
141.97095	10.2
158.99632	11.7
177.00659	17.3
275.06161	22.7
279.04791	100.0
301.73489	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	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01872	1.5
55.05508	6.0
56.96561	7.5
57.03431	4.8
57.07075	16.5
58.44287	1.2
61.12268	0.9
65.03936	1.3
67.05502	19.1
69.03426	10.2
69.07064	6.7
69.14280	1.2
70.97478	1.9
71.01333	1.8
71.04626	1.4
71.04990	10.4
71.08640	1.9
73.02902	4.6
75.04483	5.3
79.05489	8.2
81.03431	1.0
81.07056	20.2
83.04972	4.5
83.08613	3.1
85.02901	45.4
87.04440	1.6
91.05470	6.0
92.53486	1.1
93.07056	8.7
95.04961	2.7
95.08020	2.1
95.08599	20.2
97.02897	8.8
97.06517	3.3
97.10155	2.6
98.21450	1.3
98.97581	22.0
99.04475	1.9
105.06998	3.7
107.08599	6.5
109.06532	2.0
109.10159	7.9
110.97570	5.3
111.04430	4.5
111.08128	1.1
113.09661	1.1
115.03923	10.7
116.98621	11.7
117.07001	1.1
119.08549	4.2
121.02857	4.3
121.10171	5.4
123.08030	2.0
123.11701	2.9
126.71442	1.1
127.03931	1.3
128.98581	6.3
129.05464	9.6
131.08572	2.0
133.06470	1.3
133.10115	2.8
134.99643	4.4
135.08090	1.5
135.11684	3.3
139.03920	2.1
140.00198	2.2
145.10101	2.6
146.99646	3.0
147.06502	3.9
147.11719	3.1
149.02341	100.0
149.13249	2.3
158.99586	6.7
159.11702	2.2
161.13268	1.2
165.12715	1.1
167.03471	1.3
170.99638	4.2
171.06465	1.3
173.13258	1.3
177.00702	14.1
177.12865	1.3
189.00700	7.8
194.17664	1.2
200.02295	1.6
201.04468	1.6
207.01781	3.0
209.13278	1.3
215.09381	1.4
219.05655	2.3
225.07695	1.4
227.25742	1.2
233.10599	9.0
243.08696	1.4
243.21143	1.3
251.11652	5.1
261.18750	1.5
261.22049	2.4
279.04007	1.7
279.09326	3.6
279.19421	1.7
279.23132	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	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03936	2.0
55.01866	3.8
55.05509	20.3
56.96556	1.2
57.03423	1.5
57.07082	6.7
65.03909	2.3
67.05502	49.8
69.03437	5.3
69.07066	36.9
71.04979	2.9
71.08607	2.9
71.62151	1.7
71.62502	1.0
79.05054	1.5
79.05492	26.2
81.07056	100.0
83.04947	1.4
83.08610	12.3
85.02888	1.7
85.06136	1.1
85.06544	10.6
88.07619	2.5
89.03916	3.0
91.05479	11.8
93.07046	41.1
95.04942	4.7
95.08605	98.6
97.06530	32.5
97.10162	9.0
98.97595	2.0
99.04467	1.2
99.08102	6.9
105.07034	16.0
107.04932	2.3
107.07867	1.4
107.08596	33.7
109.06503	3.0
109.10155	50.5
111.08064	3.1
111.11697	3.3
113.09622	2.0
115.05488	1.8
116.98570	1.3
117.03350	4.6
117.06963	1.6
119.07899	1.2
119.08588	12.7
121.10145	26.6
123.08041	1.5
123.11710	17.4
125.09615	2.8
127.11169	2.2
131.08549	2.2
133.01663	1.0
133.02795	1.3
133.10132	11.5
134.03616	1.5
135.04427	6.7
135.11694	24.0
137.09579	2.0
137.13292	5.2
139.03853	1.4
139.11186	2.4
145.02818	3.8
145.10118	3.0
147.11702	8.9
149.02330	3.8
149.13258	29.3
150.34958	1.0
151.11157	2.1
151.14758	1.7
157.10187	1.4
159.04384	2.3
159.11650	1.7
161.02319	7.3
161.13229	6.2
163.03914	31.2
163.11131	1.9
163.14824	14.3
165.12717	4.6
171.11676	2.3
173.02324	12.5
175.02708	1.5
175.07556	1.1
175.14795	4.6
177.16444	5.5
186.18518	3.9
189.12738	1.5
189.16365	4.7
191.03378	4.1
193.15886	1.5
203.17897	7.0
213.16394	1.9
215.07024	22.0
217.19489	1.4
221.15286	1.2
221.19020	1.1
230.21133	1.7
231.17447	2.3
233.08168	1.2
249.09019	1.3
259.09662	12.6
259.17004	1.1
259.20578	2.1
259.24173	12.8
277.08472	3.3
277.10901	3.4
277.14276	3.8
277.17651	9.2
277.21695	7.0
277.25229	52.8
278.23276	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	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03938	1.3
55.01861	1.0
55.05256	1.0
55.05508	15.2
56.96556	1.6
57.03426	1.1
57.07071	7.3
58.06592	1.3
65.03940	0.8
67.05504	42.9
69.03409	1.8
69.07069	26.3
69.80028	5.0
71.04997	1.4
71.08617	1.7
72.04761	0.7
79.05490	18.3
81.07056	100.0
83.08618	12.4
85.06547	9.7
86.06075	0.9
88.07638	5.6
91.05476	7.6
93.07047	35.7
95.04955	2.3
95.08605	89.6
97.06542	5.7
97.10162	8.4
99.08086	6.9
105.07028	8.4
107.08591	33.5
109.06519	1.1
109.10155	54.9
111.08083	2.2
111.11727	3.9
113.09614	2.7
119.08582	8.4
121.10133	22.9
123.08045	1.4
123.11711	19.0
125.09626	2.5
127.11237	1.1
130.36240	1.0
131.08611	1.1
132.10196	2.3
133.10117	5.9
135.11696	23.9
137.13266	6.7
139.11151	1.4
145.10112	2.2
147.11673	5.1
149.13263	29.7
149.14488	1.4
151.14793	1.8
153.12744	1.4
161.02293	1.3
161.13231	2.9
163.03918	2.2
163.14825	14.3
165.12805	1.3
165.16319	1.0
173.02364	2.4
175.14821	3.2
177.16357	6.9
179.17882	1.3
186.18546	8.7
189.16351	3.3
195.17462	2.3
203.17894	3.4
210.74510	0.9
213.16403	2.0
215.06984	4.4
221.19025	1.9
230.21204	2.5
259.09760	1.3
259.13263	1.0
259.16870	1.4
259.24216	6.5
261.75064	0.8
277.08963	0.9
277.14722	1.4
277.18277	1.6
277.21866	2.8
277.25250	32.5
278.23264	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.75303	1.0
52.44064	1.0
53.03939	5.4
53.46579	0.9
55.05257	1.2
55.05510	19.4
56.96555	3.5
57.07062	4.3
59.16845	1.0
63.07823	1.1
65.03941	1.3
67.05505	34.6
68.31393	0.9
69.07064	15.4
69.95219	3.9
71.04986	2.5
77.62638	0.9
79.05489	72.2
81.03360	1.0
81.07055	38.2
83.04980	1.7
83.08627	6.7
85.06528	1.6
87.04352	1.2
91.05477	29.3
93.07043	100.0
93.76659	1.0
93.77273	1.0
95.04972	6.7
95.08603	28.3
97.06515	3.5
97.10152	4.2
98.97594	1.3
99.08072	1.4
105.04517	2.2
105.07029	18.3
107.08588	47.6
109.06506	2.6
109.10149	14.9
113.05946	1.2
117.07014	1.3
119.08590	13.6
121.10143	44.9
121.11024	2.4
123.08043	2.0
123.11695	2.9
125.09551	1.1
129.06981	1.6
131.08548	4.5
133.10120	12.8
135.08061	1.5
135.11690	59.1
137.09558	1.4
143.08546	2.4
145.10120	4.3
147.11665	9.1
149.09648	1.2
149.13258	23.9
151.11171	1.6
151.35303	1.0
157.10110	1.5
159.11725	2.5
161.13257	4.1
163.11176	1.8
163.14792	7.5
165.12715	1.2
171.11646	2.2
173.13275	3.1
175.11182	1.2
175.14754	2.5
177.12794	1.4
179.10686	1.3
181.12332	1.0
183.25449	1.0
185.13263	2.7
189.12712	1.6
192.99835	1.2
193.12212	1.4
195.13850	2.6
199.14754	2.3
203.14413	1.4
207.13678	1.6
213.07956	2.0
213.16370	2.1
221.15437	2.6
231.17393	1.4
231.21135	1.3
235.16904	3.3
237.29431	1.2
241.19565	2.0
250.22693	1.0
256.65649	1.2
259.20547	4.7
277.18365	3.1
277.21622	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03940	5.7
55.05516	16.1
57.07068	2.9
59.70606	1.3
65.03935	1.7
65.63583	1.1
67.05164	2.1
67.05506	32.8
68.66702	1.1
69.07070	15.4
70.63673	2.3
70.64019	1.4
70.83562	1.0
71.04996	1.9
77.03922	1.8
79.05495	76.7
81.07060	37.2
83.04977	1.6
83.08624	8.4
85.06537	2.4
85.64673	1.3
91.05484	27.8
93.07047	100.0
95.04993	5.5
95.08041	1.8
95.08611	25.5
97.06521	2.7
97.10172	3.6
105.04517	2.9
105.07037	14.3
107.08597	55.9
109.06492	1.4
109.10162	14.0
111.08067	1.4
117.07021	2.5
119.08597	8.6
121.10144	44.2
123.11694	2.6
129.07005	2.7
131.08569	4.8
133.10130	12.2
135.11699	48.8
143.08521	2.0
145.10094	3.1
147.11711	8.4
147.12711	1.6
149.09647	1.7
149.13258	23.3
157.10100	2.1
159.11693	3.6
161.13251	4.7
163.11186	1.8
163.14847	4.9
165.09360	1.1
171.11694	3.2
173.13321	2.6
175.11168	1.2
175.14833	2.8
181.12192	1.5
185.13251	2.3
199.14767	1.3
203.14381	1.7
207.13765	2.3
213.16345	2.8
221.15411	3.3
235.16942	4.7
241.19345	1.7
259.20486	3.2
277.21631	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	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56956	11.1
69.24869	11.3
69.95466	39.4
69.95862	20.4
97.39417	11.9
119.01915	13.1
128.43933	11.5
130.01891	13.2
185.72600	14.3
262.55045	12.4
277.03238	69.3
277.06891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03937	5.5
55.01865	1.9
55.05512	17.6
55.51345	1.5
57.07069	2.4
57.82936	1.2
59.00038	1.2
65.03918	2.5
67.05165	2.1
67.05505	34.9
69.03400	1.8
69.06754	1.5
69.07067	15.1
69.93603	7.1
71.04990	2.2
76.52982	1.2
77.03917	1.7
79.05495	77.0
81.07059	38.8
82.59431	1.1
83.04977	1.7
83.08620	9.0
85.06506	1.8
91.05478	32.0
93.07047	100.0
95.04959	5.7
95.08041	1.8
95.08610	27.8
97.06509	1.5
97.10149	2.9
98.20718	1.5
105.04517	2.4
105.07026	14.8
107.08598	52.6
109.06522	2.4
109.10168	17.0
117.06999	2.9
119.06068	1.3
119.08577	11.8
121.10143	45.3
123.11724	2.3
131.08560	5.0
133.10139	13.9
135.08063	2.0
135.11697	59.6
143.08612	1.9
145.10095	2.5
147.11668	6.2
149.13268	25.9
159.11685	3.4
161.13235	4.8
163.14778	6.8
171.11726	2.3
173.13251	2.0
175.14801	2.2
185.13300	1.5
193.12308	1.6
195.13840	2.1
207.13770	2.6
213.16425	2.0
217.15967	1.8
221.15335	2.5
235.16945	2.6
241.19577	2.0
259.20605	3.7
277.21643	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26542	0.8
53.03937	2.1
55.01863	2.3
55.05513	10.9
57.03426	2.6
57.07070	2.4
60.08926	0.9
67.05502	31.7
69.03425	3.4
69.06767	1.0
69.07069	12.1
70.84557	2.7
71.04985	2.3
73.02898	1.1
77.03875	1.2
79.05038	1.7
79.05494	25.3
81.07056	32.6
83.04973	1.8
83.08621	5.3
85.06544	2.0
85.10188	1.1
91.05481	35.4
93.06456	2.2
93.07045	34.6
95.04959	2.6
95.08611	30.5
95.09220	1.1
97.06527	3.5
97.10162	3.0
98.97583	3.6
99.08082	1.1
105.07026	30.7
107.04968	1.0
107.08595	24.6
109.06485	2.0
109.10146	14.9
113.06001	2.5
117.07037	6.7
119.08575	29.9
121.06519	3.0
121.10143	39.7
123.08060	2.3
123.11724	6.3
129.07019	5.0
131.08566	16.0
133.10127	29.2
135.08063	6.6
135.11681	11.3
137.09596	1.3
137.13228	1.8
141.06970	2.1
142.07787	1.2
143.01796	1.1
143.08542	3.7
145.10120	12.3
147.08012	3.6
147.11687	28.1
149.05963	1.3
149.09633	8.0
149.13251	7.2
153.09081	2.9
155.01868	1.2
155.08549	1.8
157.10155	5.2
158.99615	1.6
159.11688	11.7
161.09616	4.6
161.13248	12.5
163.11176	4.0
163.14766	3.2
165.09134	1.1
167.10677	2.6
169.10141	1.8
171.11731	6.8
173.02982	1.3
173.13272	7.9
175.11192	5.2
175.14836	3.8
177.16394	2.1
179.10687	7.3
181.12210	2.3
183.11717	4.9
185.13278	2.7
187.11212	1.6
187.14821	4.1
189.12752	3.1
189.16277	1.6
193.12234	6.7
196.53596	1.2
197.13283	2.4
201.12816	3.2
201.16353	1.5
207.13824	3.5
211.14833	3.2
213.16394	1.9
215.14378	1.2
215.17909	6.8
229.15863	9.3
229.19495	5.1
233.04976	1.0
233.15324	2.0
235.65933	0.9
239.17992	7.9
257.15347	1.3
257.16312	1.0
257.19031	10.7
261.19022	1.1
274.66302	2.5
275.08997	1.6
275.16479	8.7
275.20053	100.0
275.27026	7.8
276.20306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	3.9
55.05512	13.3
56.96564	0.7
57.03426	1.8
57.07063	2.6
59.04993	0.7
65.03939	0.9
67.05508	22.6
69.03428	4.2
69.06712	0.9
69.07067	14.1
70.11659	2.6
71.05000	3.2
71.08624	0.8
71.32359	0.5
73.02905	0.7
79.05055	1.2
79.05495	24.2
81.03401	1.6
81.07058	30.6
83.04995	4.3
83.08619	6.9
85.02876	0.8
85.06536	2.0
91.05482	35.6
91.13269	0.6
93.07044	26.8
95.04977	5.4
95.08611	27.4
96.08942	0.6
97.06538	4.2
97.10174	3.0
98.21347	0.6
98.97569	1.9
99.08129	1.0
101.06047	0.7
103.05457	1.4
105.04520	0.9
105.07031	43.7
107.04969	3.7
107.08598	19.7
109.06523	3.8
109.09434	1.2
109.10153	14.3
111.04423	0.6
111.08052	1.5
111.11665	0.6
113.05305	0.7
113.05971	3.3
115.05457	1.0
116.98638	1.1
117.05523	0.6
117.07033	11.5
119.08584	33.9
120.08915	0.6
121.02691	0.5
121.06492	4.2
121.09306	0.8
121.10152	15.7
123.04414	0.7
123.08064	2.9
123.11702	4.3
125.09599	1.2
128.06178	1.0
129.06998	3.0
131.04926	0.6
131.08565	14.9
133.06508	1.3
133.10126	32.0
135.08063	5.3
135.11690	8.7
137.09622	3.4
137.13235	0.7
141.06966	1.6
142.07661	0.8
143.08549	5.4
144.09270	0.9
145.06401	1.0
145.10124	16.4
146.10841	0.8
147.08044	1.4
147.11693	21.2
149.08511	1.0
149.09624	10.1
149.13271	5.8
151.11177	2.2
151.14796	1.1
155.01912	0.9
155.08562	1.8
157.10132	4.6
158.99521	0.6
159.08070	1.3
159.11700	10.5
161.09631	2.3
161.13280	6.8
163.07552	0.8
163.11180	4.4
163.14816	2.5
164.41672	0.7
165.09091	1.0
165.12802	0.9
167.10681	1.4
169.10095	3.5
171.11693	4.1
173.09633	1.0
173.13255	6.6
175.11166	2.7
175.14825	2.0
177.09154	0.9
177.12717	1.8
177.16403	1.3
179.03397	1.9
179.10666	2.3
183.11716	4.4
185.13219	2.1
187.07497	0.6
187.11180	2.4
187.14885	4.9
189.01903	1.1
189.12703	1.1
191.14276	0.7
193.12204	2.8
196.12492	0.7
197.13229	2.9
199.14787	1.6
201.12724	4.4
201.16399	2.1
205.12341	0.8
205.19527	0.9
205.30003	0.7
211.14789	4.2
213.16377	1.4
215.14401	1.3
215.17894	3.8
219.13847	1.5
219.17532	0.6
219.21046	1.1
229.15919	15.9
229.19380	3.7
233.05109	0.7
233.15373	1.0
239.17953	7.3
247.20561	2.2
257.15384	3.4
257.19003	10.9
257.21994	0.7
275.09042	2.5
275.16617	6.5
275.20059	100.0
275.26767	5.0
276.20300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	2.6
55.01878	8.2
55.05516	18.9
57.03434	2.1
57.07067	3.8
59.04978	1.2
62.39515	0.9
65.03939	1.6
67.05165	1.7
67.05508	26.6
67.64112	0.8
69.03422	1.1
69.07069	11.5
71.04990	2.4
71.08625	2.5
79.05054	2.0
79.05497	33.1
81.03443	1.0
81.07059	27.4
83.04964	3.2
83.08630	5.2
85.06527	1.3
91.05484	39.5
92.57453	1.0
93.07049	24.3
95.04993	4.5
95.08601	15.2
97.06525	7.8
97.10162	3.9
98.20676	1.5
99.08122	1.1
103.05455	2.0
105.07035	55.8
106.07371	1.1
107.04967	17.0
107.08599	25.4
109.06538	2.8
109.10164	15.5
111.08093	3.0
113.06005	1.1
115.05401	1.5
117.07038	10.2
118.17678	0.9
119.08588	30.6
121.06488	2.8
121.10148	10.0
123.08055	3.1
123.11707	4.0
125.09633	3.9
129.07002	1.8
130.07808	1.0
131.08568	16.0
133.10133	34.8
135.08107	4.3
135.11700	4.6
137.09627	1.7
143.08572	2.0
145.10139	14.8
147.11697	17.4
149.09625	33.3
149.13258	2.6
153.09163	1.1
157.10120	1.9
159.11679	7.8
161.13268	7.4
163.11238	1.9
167.10680	1.6
168.92654	0.9
169.10118	1.6
169.12294	1.3
171.10352	1.1
171.11707	3.1
173.11751	3.5
173.13272	4.9
175.11235	1.2
183.11723	2.3
185.13187	1.5
187.11212	1.7
187.13289	1.6
187.14836	2.2
191.14316	1.2
197.13306	1.6
201.12769	1.1
205.12311	1.1
215.14427	1.3
215.17946	3.0
219.17554	1.0
229.15907	1.7
229.19504	7.0
239.17999	3.7
247.20599	3.5
257.19031	13.0
275.20078	100.0
275.23593	3.6
275.27664	6.1
281.29340	1.0
293.09576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	3.0
54.73650	1.9
54.76732	1.2
55.01880	2.1
55.05515	14.9
56.96573	1.8
57.03429	1.9
57.07054	1.6
67.05173	1.5
67.05507	21.9
69.03412	1.8
69.07065	10.4
70.06599	2.2
70.61613	1.4
70.84564	1.6
70.84904	3.4
71.05000	7.5
71.08654	1.3
71.19361	1.4
76.17221	1.4
79.05492	23.2
81.06564	1.9
81.07056	30.2
83.04976	3.8
83.08604	5.3
85.06540	4.0
88.07610	2.6
91.05484	41.7
93.07045	24.1
95.04955	5.7
95.08614	17.5
97.03349	1.4
97.06489	2.8
97.10178	2.4
98.97587	1.6
101.57056	1.4
105.07034	44.4
106.08672	1.7
107.04972	5.3
107.08590	18.9
109.06517	9.3
109.10138	8.2
111.08074	4.4
117.07036	11.6
119.07788	2.6
119.08584	33.7
121.06512	4.1
121.10146	13.1
123.08035	6.2
123.11710	2.8
129.06984	3.0
131.08566	18.0
133.10130	35.5
135.08032	8.4
135.11656	6.8
137.09607	4.7
141.06976	2.2
142.07799	1.9
143.08531	7.8
144.09242	1.6
145.10120	16.5
147.07988	1.8
147.11673	19.5
149.09593	7.2
149.13229	3.3
151.11160	3.4
155.08597	3.1
157.10149	10.6
158.10892	1.8
159.11705	19.6
161.09566	1.9
161.13281	6.4
163.11189	4.9
165.12704	1.6
169.10146	5.1
171.11667	7.3
173.13268	18.7
175.11176	3.8
175.14787	3.3
177.12762	4.5
183.11687	3.8
185.13223	3.5
187.14824	5.3
189.12759	2.7
191.14333	3.2
197.13188	2.6
199.14754	2.9
201.12769	5.6
201.16315	2.6
203.14331	1.7
213.16425	2.2
215.14317	2.8
215.17931	2.9
229.15936	1.9
229.19493	7.3
233.15540	1.6
239.17973	5.1
247.08179	1.8
247.20728	2.4
257.15457	2.0
257.16312	2.3
257.18988	15.9
275.20068	100.0
275.27728	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	1.6
55.05511	13.3
56.96564	1.4
57.03422	1.5
57.07069	1.8
65.03926	1.4
67.05506	14.8
69.07074	8.7
70.06583	1.7
71.04264	2.1
71.04984	2.1
79.05492	16.9
81.03420	0.8
81.07055	20.0
83.04964	1.8
83.08619	5.1
84.34130	0.7
88.07612	1.6
88.22618	0.8
91.05482	37.6
92.05819	0.9
93.07048	16.7
95.04961	2.0
95.08604	10.8
97.06551	1.6
97.10162	3.4
103.05476	2.2
105.07030	55.5
106.08665	1.0
107.04943	2.1
107.08596	13.0
109.06533	1.7
109.10181	6.0
111.08086	1.4
111.99937	3.6
115.05453	0.8
117.07002	9.2
118.07732	1.2
119.08582	30.5
121.00441	5.5
121.06497	2.5
121.10134	5.6
123.08056	1.8
123.11658	1.2
129.06996	2.4
131.08578	14.2
133.10133	39.2
134.01227	1.5
135.08052	3.1
135.11662	3.5
137.09671	1.3
142.07756	1.1
143.01772	2.1
143.08557	1.7
145.10132	15.1
147.11688	23.8
149.09637	4.6
149.13290	0.8
155.08527	1.7
157.10152	2.3
159.11697	10.0
161.13222	4.6
163.00468	1.3
163.11223	1.2
167.99654	4.2
169.10078	1.3
171.11696	3.2
172.01010	1.4
173.09714	0.9
173.11879	0.8
173.13179	4.4
175.11150	1.5
175.14749	0.9
177.00224	2.4
177.12784	1.0
183.11694	1.4
187.11191	1.1
187.87880	0.8
190.00914	0.9
197.13307	1.7
201.12831	0.8
205.12234	0.8
208.02026	1.4
211.14766	1.2
214.17148	0.9
215.17863	1.0
217.02565	4.7
217.52753	1.2
218.47298	0.8
219.13745	0.9
229.15985	1.1
229.19516	2.9
239.17957	2.8
247.20673	0.7
252.04668	3.0
257.19003	9.1
261.05215	2.8
261.55338	0.7
263.55441	0.8
275.20059	100.0
275.27753	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.48202	0.5
53.03931	1.8
55.01873	3.3
55.05515	11.3
57.03423	2.2
57.07059	1.2
57.14261	0.5
65.03924	1.0
67.05171	1.2
67.05508	18.4
69.03433	4.2
69.07072	10.0
69.10632	0.5
69.85237	0.9
69.85648	2.1
71.04976	2.3
73.02927	1.0
73.06552	0.6
77.03941	0.7
79.05050	0.9
79.05497	18.7
81.03407	1.1
81.07060	18.2
83.04620	0.5
83.04989	4.9
83.08630	4.9
85.02896	1.3
85.06529	1.1
87.29660	0.5
91.05485	34.1
93.07050	17.2
95.04968	5.0
95.08608	14.3
97.06542	4.2
97.10161	2.0
103.05483	1.3
105.07036	47.9
107.04964	2.6
107.08598	14.3
109.06532	3.6
109.10165	6.1
111.04433	1.3
111.08055	1.5
113.06010	2.7
117.07017	11.4
119.08586	30.4
121.06518	3.7
121.10143	8.3
123.08063	2.2
123.11707	1.4
124.15825	0.5
125.09620	0.8
129.06996	3.1
130.07770	1.0
131.01932	0.7
131.08569	13.5
132.09370	0.7
133.06461	1.0
133.10136	27.5
135.08084	4.0
135.11687	4.9
137.09633	2.1
141.06995	1.1
143.08559	2.1
145.09015	1.0
145.10126	13.8
147.08046	1.2
147.11693	18.6
149.09645	4.7
149.13243	2.0
151.07608	0.6
151.11246	0.6
155.08536	1.0
157.10143	2.9
159.08052	1.0
159.11690	10.2
160.90256	0.6
161.09581	1.7
161.13275	6.1
163.11172	3.2
163.14836	1.2
169.10167	1.5
171.11655	3.3
173.09639	0.6
173.13235	6.4
175.11241	1.7
175.14819	1.3
177.12721	1.1
183.11761	2.2
185.13300	0.7
187.11081	0.9
187.14796	1.1
189.01915	1.2
191.14244	0.8
197.13254	2.2
199.14806	0.6
201.12729	1.4
201.16226	0.8
205.12231	0.8
207.13858	1.0
211.14806	1.2
213.16432	0.7
215.14302	1.0
217.15846	0.7
219.13788	1.1
229.16019	0.6
229.19501	6.9
231.06551	1.0
233.15280	0.9
233.18990	1.1
239.17989	3.5
247.20593	2.1
257.19022	8.2
275.08966	1.3
275.20071	100.0
276.20355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38636	1.7
56.05034	2.2
58.06590	2.4
60.50691	1.7
64.69656	1.8
67.05502	2.0
68.05019	2.1
70.06596	5.4
71.51417	2.3
78.54609	1.9
82.99851	3.6
83.04987	2.6
85.02885	3.1
86.06062	10.8
95.04966	2.5
95.06084	22.6
97.02903	2.4
101.00877	27.1
113.07133	69.2
114.05539	28.6
115.02338	1.9
119.01918	67.0
121.02849	6.8
127.02427	9.7
128.07094	12.4
137.02972	12.8
142.08698	2.4
143.01955	3.9
145.03467	54.7
147.22585	2.0
151.02412	3.3
153.03983	3.7
157.03427	12.0
161.02991	6.1
163.04568	3.6
169.03476	68.0
169.16122	2.0
171.05013	12.5
175.04495	3.8
178.93399	2.0
185.02963	24.2
185.06697	2.7
187.04527	81.0
187.06212	4.1
189.02405	2.1
195.04990	5.1
197.02931	20.4
203.04039	7.4
205.05629	6.7
211.04546	4.9
213.06218	3.4
215.04022	18.9
215.10257	4.6
221.03090	3.9
229.05589	41.3
231.03520	2.9
239.04041	2.9
247.06557	20.5
249.04532	2.9
250.00922	2.0
257.05099	3.4
275.06146	100.0
275.12473	13.4
280.67212	1.9
293.07147	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	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.6
70.18085	1.9
95.01289	0.6
96.90026	0.6
98.97596	0.9
101.64576	0.6
106.76601	0.6
119.01885	0.7
127.90929	0.5
140.70605	0.7
145.80836	0.7
157.06487	1.0
161.06075	0.6
215.06958	1.0
231.06647	0.6
232.56215	0.6
236.76489	0.7
243.06570	1.4
257.02646	3.8
275.04166	4.0
275.11020	100.0
276.11313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69432	0.7
53.25716	0.8
55.16412	0.5
56.96556	1.0
70.72402	1.7
83.77843	0.6
84.85854	0.6
85.02885	0.8
86.06048	1.3
98.97562	1.4
101.00870	1.0
103.07738	0.6
111.57674	0.7
112.80595	0.6
113.00002	1.1
113.00851	0.6
114.05514	3.1
116.18156	0.7
141.69571	0.6
145.03412	0.7
148.18355	0.7
155.01855	0.7
157.03552	0.7
161.03027	0.8
173.03018	0.8
173.06516	0.7
181.61456	0.6
185.02985	0.7
185.06583	0.8
189.02475	0.7
194.03351	0.7
201.99205	0.6
221.48497	0.6
235.56073	0.7
239.81215	0.8
255.49568	0.7
275.11008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
55.01870	8.3
56.96567	12.1
69.03437	5.1
69.39742	13.6
69.40166	13.3
75.16230	3.6
83.01308	2.8
85.02906	5.0
91.05483	6.4
97.02957	3.7
98.97575	18.8
105.07042	4.2
115.05450	22.7
116.06224	4.3
116.98596	6.8
117.07028	8.6
120.08070	3.4
123.04343	3.7
128.06212	4.3
129.07018	10.3
131.04945	8.8
131.08560	6.0
132.05717	9.8
134.99648	5.8
137.05995	4.1
141.06996	63.8
143.04916	9.9
144.05740	15.2
145.06467	13.0
146.03606	10.3
147.04341	7.6
153.07028	7.5
155.04906	12.4
155.06076	5.0
157.02882	10.2
157.06493	13.6
158.07275	11.2
159.04510	4.9
159.08055	14.0
160.05179	10.4
161.06013	19.1
162.03148	4.4
165.06967	5.6
168.05693	13.5
169.06488	47.1
171.04379	16.8
171.98911	3.7
172.05188	9.0
173.06021	11.1
175.07573	11.8
177.05518	8.2
181.06561	6.2
183.04451	6.0
183.07985	5.0
185.06006	11.9
186.06818	24.6
187.07544	38.4
187.47913	3.1
188.04631	4.8
189.05559	25.7
191.05626	3.2
191.07019	19.8
196.05205	6.5
197.05977	46.8
198.06789	4.5
199.03940	10.4
200.04697	12.0
201.05458	8.3
201.09096	19.5
203.06946	16.2
204.07761	9.0
205.08604	4.2
211.07532	10.1
213.05396	4.0
214.06223	15.0
215.07056	54.6
216.04184	3.7
217.04906	8.8
217.08522	3.4
219.10231	3.9
224.04932	3.8
225.05499	10.7
226.06151	5.1
229.05130	6.0
229.08636	39.9
231.06516	21.1
232.07339	8.1
239.06999	5.2
242.05727	11.1
242.37349	3.6
243.06595	27.1
244.07306	3.7
245.04503	11.4
247.09695	30.4
257.08075	50.4
260.06805	50.7
274.97482	9.6
275.04791	5.3
275.05835	5.6
275.09003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05512	8.6
57.03437	2.4
57.07076	2.2
58.99878	1.6
67.05501	13.2
68.98327	1.8
69.03429	3.3
69.07069	11.5
69.43082	6.5
69.43510	5.3
79.05490	12.4
81.07056	22.0
82.99829	4.3
83.04975	1.9
83.08610	4.9
85.02900	1.7
89.00964	1.6
91.05470	12.9
92.31663	1.4
93.07042	19.1
94.99844	3.2
95.04977	4.0
95.08599	17.7
97.02903	2.2
97.06537	7.8
97.10191	2.1
98.97578	2.5
101.00879	33.5
105.07038	18.9
107.08607	16.3
109.06551	1.7
109.10182	11.2
111.08091	1.6
113.00867	31.5
115.02390	2.9
116.98615	1.5
117.07018	3.8
119.01917	43.1
119.08566	12.2
121.06522	3.1
121.10147	12.8
123.08061	2.3
123.11684	4.9
124.02438	1.8
127.02396	1.7
131.01906	59.2
131.08536	6.9
133.03484	4.2
133.10155	12.0
135.08035	2.9
135.11658	7.7
137.02945	4.2
137.09648	3.0
137.13263	1.9
139.03900	3.4
142.03563	2.8
143.01907	28.3
143.08540	3.2
145.03458	12.8
145.10138	5.2
147.01355	2.0
147.11690	8.6
149.02971	3.9
149.09584	4.2
149.13280	6.7
151.07585	1.8
155.01894	100.0
156.01994	1.9
157.03465	17.7
157.04630	2.6
157.10175	2.9
159.11716	5.4
160.75125	1.4
161.02969	22.6
161.09566	2.1
161.13242	6.1
163.14801	3.1
167.01921	17.2
169.10182	1.8
171.11722	1.7
173.02971	96.5
173.13315	4.0
175.04500	4.9
177.09119	1.7
177.16446	1.8
179.03401	2.4
179.05391	1.6
183.11772	1.7
184.04565	2.8
185.02957	38.2
185.13243	2.4
187.14838	2.1
189.16422	1.7
193.12163	1.8
196.04582	10.4
197.02927	4.7
197.13263	1.8
201.16289	1.9
203.04047	2.7
205.19548	1.6
215.04005	23.4
215.07178	2.7
229.19513	2.8
233.05067	57.0
239.18008	3.2
256.06635	5.6
257.19086	4.2
257.22635	2.0
273.31223	1.5
275.06073	6.9
275.09158	8.6
275.13504	2.3
275.16629	3.8
275.20081	33.5
275.23630	5.1
275.27393	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	275.0375
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
51.40547	2.2
55.01870	4.4
56.96564	9.1
57.03434	3.0
57.07050	2.8
59.04982	2.3
67.05504	3.6
69.03423	6.4
69.61587	1.8
69.61874	18.0
71.04968	2.3
79.05501	2.3
81.03426	2.4
85.02893	7.8
85.64655	2.5
86.09703	4.9
87.04453	3.0
87.10098	2.6
91.05528	2.6
97.02886	5.4
98.20692	5.2
98.97591	10.6
101.00872	5.7
110.97558	2.8
113.05916	2.5
114.05520	4.4
115.05447	6.3
116.98637	6.5
119.01881	11.4
128.98592	2.9
129.07007	3.3
131.04999	2.5
137.05984	2.9
141.07001	13.6
143.04889	3.1
144.05696	3.9
145.03493	7.3
145.06531	3.9
146.03534	4.5
151.03938	2.5
157.06531	8.0
161.02965	2.7
161.05954	4.4
169.03471	4.3
169.05106	2.1
169.06471	15.6
171.04465	4.2
172.05214	4.6
172.95245	3.5
175.07480	4.1
185.05986	3.3
186.06767	7.2
187.04498	2.9
187.07539	6.1
189.05547	6.9
191.07037	4.9
197.05986	11.7
200.04686	5.0
201.09027	4.7
203.07120	5.6
204.07869	3.2
213.05606	2.8
215.01706	4.1
215.07011	15.1
229.05182	4.0
229.08618	12.0
231.06598	4.8
242.05679	3.2
243.01801	5.8
243.06493	6.4
245.04494	3.0
245.08229	3.3
247.09741	9.0
257.02670	41.1
257.08008	12.1
260.06793	13.3
261.02768	4.0
274.27463	6.3
275.03677	35.4
275.06201	6.4
275.11258	100.0
275.20160	2.7
285.03021	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.10655	0.7
50.67344	0.8
50.79147	0.8
53.03938	1.9
54.62768	0.7
55.05297	1.0
55.05512	11.6
57.07080	7.7
65.03914	1.1
67.05170	1.3
67.05505	22.4
69.03414	2.5
69.06721	1.2
69.07068	18.0
70.72089	1.9
70.72416	0.9
71.08631	3.3
72.00481	0.8
72.00910	0.9
79.05487	13.8
81.07057	48.2
83.04980	5.5
83.08624	9.6
85.02905	1.0
85.10171	1.7
91.05481	18.9
92.11641	0.8
93.06465	1.4
93.07049	25.6
95.04955	2.3
95.08607	53.5
96.39314	0.8
97.06498	1.0
97.10197	4.7
99.04469	1.2
105.07033	36.8
107.07865	1.0
107.08598	23.6
109.10153	24.7
111.04438	1.8
111.11714	1.5
112.27725	0.8
117.07007	4.8
119.08578	27.8
121.09299	1.5
121.10137	16.9
123.11715	8.9
127.03905	1.0
129.07019	1.9
130.07738	1.0
131.08565	8.1
133.10132	52.6
135.08185	0.9
135.11687	13.2
137.13251	3.5
142.07742	1.2
143.08553	2.1
145.10136	7.1
147.08008	1.7
147.11696	24.1
149.13272	7.9
151.07571	0.8
151.14816	2.2
157.10088	3.0
159.11716	3.0
161.09615	1.2
161.13260	17.0
163.14818	5.9
165.16380	3.3
171.11664	2.9
173.09746	0.8
173.13252	2.4
175.14821	12.4
177.16373	6.4
179.17932	2.4
185.13272	1.7
189.16371	12.5
191.17976	3.5
193.19684	1.2
199.14536	0.8
203.17961	10.6
205.19490	0.9
211.52789	1.0
213.16296	0.9
215.14310	1.0
217.19501	10.0
227.17870	5.4
231.21172	2.6
245.22665	1.6
255.17409	1.6
273.18622	13.0
273.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03952	2.2
55.01899	1.0
55.05512	16.1
56.96561	5.9
57.07077	11.2
61.02920	0.9
64.21602	0.8
67.05169	1.7
67.05508	25.7
69.03432	2.1
69.07067	27.6
69.42970	3.3
69.43412	3.8
71.04984	0.9
71.08621	4.4
73.00466	0.9
79.05500	17.5
81.03421	1.1
81.07058	48.1
83.04984	7.5
83.08625	14.8
85.02913	1.7
85.10167	2.6
91.05479	14.6
93.07050	27.6
95.05005	1.3
95.08608	57.8
97.02904	1.0
97.06509	1.4
97.10171	5.5
98.97583	25.0
99.04440	1.5
105.07034	33.9
107.08598	29.7
109.06510	2.2
109.10159	34.3
110.97567	1.3
111.04442	2.5
111.11713	2.6
116.98617	7.0
117.07025	4.4
119.08584	29.8
121.10147	23.4
123.08023	1.0
123.11701	13.3
129.07005	1.4
131.08563	5.3
133.10136	31.1
134.99704	1.5
135.08014	1.0
135.11694	16.3
137.13245	3.2
138.43111	0.9
143.08551	3.3
145.10117	5.2
147.11688	29.3
149.13268	7.9
151.14815	1.7
157.10124	3.3
158.99666	9.0
159.10600	0.8
159.11696	5.3
161.13268	23.0
163.14827	7.1
165.16417	2.6
167.08607	0.9
169.10223	1.1
170.11005	0.9
171.11668	3.8
173.13231	2.3
174.11656	1.4
175.11263	0.9
175.14828	12.2
177.00751	4.8
177.16386	8.7
179.17883	1.8
183.12233	1.7
185.13243	2.5
187.14824	2.4
189.16383	11.1
191.10594	1.0
191.17964	5.4
192.12717	0.8
199.11215	1.2
203.17993	9.4
204.12741	2.0
209.08524	1.5
213.12892	1.3
213.16394	1.7
215.30582	1.0
217.12137	1.6
217.19525	15.6
227.09492	1.4
227.17920	9.1
231.21069	2.8
245.19128	0.9
245.22655	1.3
255.14371	2.1
255.17441	2.8
255.21263	0.8
264.14835	3.7
269.10645	2.9
273.15060	1.7
273.18613	13.6
273.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.13044	0.4
56.96556	0.6
57.07071	0.9
61.95062	0.4
62.20708	0.4
64.14059	0.3
67.05503	0.9
69.07067	3.6
69.32968	0.4
70.16097	1.3
70.16505	0.7
79.05492	2.1
81.07052	2.1
83.08601	1.0
91.05477	2.5
93.07048	1.5
95.08601	3.0
97.10216	0.4
105.07028	2.0
107.08604	2.2
111.04434	0.4
115.05468	0.7
117.07052	0.8
119.08597	0.9
121.10123	0.9
125.13281	2.6
131.08557	0.8
133.10114	0.9
135.08060	100.0
143.08592	0.6
145.10178	0.4
147.11736	0.9
149.09622	2.0
157.10123	0.8
159.11748	0.7
161.09656	0.5
171.11711	0.7
173.13246	0.5
175.11261	0.6
185.13232	0.4
198.91347	0.4
211.33682	0.5
213.16373	0.5
255.17480	0.7
273.18594	3.3
273.22205	7.8
273.25671	0.8
274.27408	0.5
284.96188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03928	1.6
55.01874	0.9
55.05511	13.3
56.96563	1.8
57.06862	0.8
57.07077	10.4
67.05163	1.8
67.05504	22.5
69.03429	1.6
69.06708	1.7
69.07069	23.3
69.07446	1.3
69.36048	7.8
69.45164	0.8
71.08628	4.8
79.05492	14.6
81.07059	42.5
83.04987	5.1
83.08621	15.3
85.02895	1.4
85.10162	1.9
85.19438	0.8
91.05478	16.0
93.07045	23.2
95.04971	2.4
95.08608	53.5
96.66927	0.8
97.02867	1.2
97.04746	1.0
97.10150	4.9
98.97582	5.6
105.07034	31.6
107.08598	29.5
109.06544	1.1
109.10158	30.5
110.97557	1.5
111.04424	2.1
115.05490	1.0
117.07011	2.9
119.08585	24.0
121.10147	18.2
123.11708	10.9
129.06984	1.4
131.08562	3.4
133.10136	23.1
135.11703	14.9
137.13252	3.2
143.08562	1.5
145.10149	4.3
147.11693	29.6
149.13248	6.7
151.14694	1.9
157.10118	1.5
158.99707	2.0
159.11700	2.9
161.13252	22.4
163.14787	4.5
165.16354	3.6
170.99524	1.0
171.11661	2.3
173.09325	0.8
173.13258	1.1
175.11136	1.0
175.14818	13.1
177.16405	7.9
179.17934	1.9
185.13223	2.3
189.16383	10.9
191.17941	4.3
203.17972	10.4
205.19682	0.9
205.95265	1.0
215.14380	1.4
217.19505	14.7
219.01602	1.2
227.14421	1.2
227.17981	2.7
231.21107	3.8
255.14314	3.8
255.17387	1.2
264.14682	1.1
273.18640	9.0
273.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2059
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
55.05508	62.0
56.96553	28.6
57.07069	35.9
67.05518	50.3
67.05810	10.6
67.41489	9.6
69.03415	18.6
69.07078	72.1
71.08627	14.7
71.62006	16.6
76.31572	9.3
79.05489	28.3
81.07056	90.1
83.04987	27.8
83.08610	37.0
88.07598	14.9
91.05457	18.4
92.60469	9.8
93.07030	48.4
95.08606	79.3
97.06516	24.1
97.10179	21.9
98.97581	100.0
103.14566	9.8
105.07039	30.1
107.08588	42.6
109.10155	33.9
111.04433	14.1
116.98657	44.3
117.07034	15.2
119.08558	46.7
121.10140	41.3
123.08115	11.7
123.11700	18.6
125.09651	12.9
131.08572	29.1
133.10123	30.9
134.99686	13.7
135.11670	28.9
139.11174	10.9
143.08562	10.6
145.10109	35.1
147.11662	16.7
149.13335	13.0
153.40221	8.7
157.10130	27.8
159.11693	17.0
163.14706	8.9
171.11702	21.1
173.13281	17.1
185.13110	11.9
190.98622	29.9
191.17938	32.0
197.13249	10.3
199.14827	13.9
201.16356	16.0
209.19109	27.7
213.16377	18.1
227.17888	72.0
232.99657	11.8
235.08182	13.2
240.19736	10.0
252.64316	13.0
273.18265	71.3
273.20798	34.7
273.25818	14.3
273.29544	11.1
274.27441	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.04648	0.2
50.20596	0.2
51.02385	0.2
53.03937	0.4
55.01872	0.5
55.05291	0.2
55.05518	2.3
56.96552	0.3
57.03444	0.2
57.07069	1.1
58.89148	0.2
59.05014	0.3
60.37325	0.2
63.98779	0.2
65.03941	0.7
67.01873	2.5
67.05511	3.1
68.99796	1.8
69.03426	2.2
69.07069	2.5
71.04986	0.5
71.08624	0.3
71.61079	0.2
71.61524	0.3
74.00923	0.2
75.97962	0.2
79.05491	3.0
81.03415	0.7
81.07058	5.2
83.01340	0.4
83.04987	2.2
83.08618	1.3
85.02895	0.5
85.06543	3.0
86.09707	0.2
91.05479	10.7
93.07050	4.6
95.04972	3.0
95.08608	5.6
97.02908	1.6
97.06529	0.5
97.10173	0.5
98.97587	1.3
99.04460	0.3
99.08076	0.4
103.38317	0.3
105.06364	0.4
105.07031	6.0
107.04945	1.9
107.08597	4.5
109.06524	1.9
109.10161	2.8
111.00791	0.9
111.04427	1.0
111.08071	0.3
115.05453	0.7
116.98630	0.4
117.07013	3.5
117.46902	0.2
119.04945	18.0
119.08585	6.0
120.05309	0.3
121.02873	0.3
121.06493	0.8
121.10155	3.3
123.04434	4.3
123.08100	0.6
123.11718	1.3
125.02396	0.3
127.03905	0.5
128.06229	0.7
129.07008	2.4
130.07785	0.5
131.08563	4.8
133.06517	1.3
133.09209	0.4
133.10130	4.3
135.08070	1.4
135.11670	1.5
137.09605	0.3
137.13251	0.3
141.06995	0.8
142.07770	1.0
143.08571	3.1
144.09326	0.6
145.06427	0.3
145.10124	5.8
147.04410	44.1
147.11681	2.6
148.04791	0.3
149.06004	0.4
149.09641	0.7
149.13271	1.0
151.03920	0.5
151.07675	0.3
153.01826	100.0
153.06970	0.8
154.02155	0.9
155.08543	1.2
156.09360	1.8
157.06450	0.3
157.10118	5.0
158.99684	0.3
159.08072	0.8
159.11697	4.9
161.05972	0.5
161.09613	0.9
161.13223	1.5
163.07573	0.3
163.14806	0.4
165.06969	0.6
167.08553	0.5
168.09335	0.4
169.10107	2.2
170.10876	0.8
171.02904	2.3
171.11673	4.5
172.12411	0.4
173.09634	2.2
173.13246	2.3
174.10281	0.4
175.11143	0.9
175.14847	0.7
177.00600	0.3
177.16414	0.3
179.03387	0.6
180.09235	0.3
181.06493	0.5
181.10088	1.0
182.10902	0.9
183.11649	1.3
184.12453	0.4
185.09669	0.7
185.13266	1.8
186.14085	0.3
187.11177	0.5
187.14848	0.9
189.05472	0.8
189.12753	2.3
189.16411	0.6
191.10643	0.6
195.11771	1.1
196.12450	0.6
197.13248	3.3
198.13991	0.3
199.07545	0.2
199.11215	1.9
199.14775	0.8
202.10139	0.3
203.10617	0.5
203.14291	0.3
203.18051	0.4
207.11728	0.6
209.13298	0.8
211.14825	1.7
212.15517	0.9
213.09369	0.3
213.12866	0.4
213.16373	3.4
215.14252	1.0
215.17961	1.0
217.12276	0.7
217.19487	0.6
222.13995	0.4
225.12640	0.4
225.52461	0.2
227.14471	1.3
227.17938	2.2
229.15913	0.6
230.16588	0.4
231.06569	0.5
231.17422	0.6
237.16394	1.5
240.15105	0.7
241.08446	0.4
255.06514	0.8
255.17445	5.2
255.20996	0.6
262.17740	0.3
273.07574	69.3
273.18484	14.3
273.22061	2.9
273.25751	3.7
274.07980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03950	1.5
55.05521	7.9
56.96560	2.4
57.07088	3.6
59.05008	3.1
67.05498	9.0
69.03415	4.3
69.07051	6.8
70.96656	4.0
71.04978	6.1
79.05489	8.1
81.07065	16.4
83.04987	13.6
83.08616	3.8
85.02886	4.8
85.06523	5.4
91.05482	12.3
93.07063	12.7
95.04970	21.1
95.08601	15.4
97.06513	2.7
98.97578	6.8
105.07033	21.9
107.04920	1.9
107.08591	15.4
109.06518	27.4
109.10170	10.7
111.04433	3.5
111.08075	5.5
115.05428	2.5
117.07030	7.5
119.08588	32.4
121.06532	3.4
121.10149	8.6
123.08077	17.0
123.11709	2.9
128.06274	1.8
129.06973	6.5
130.07773	2.9
131.08582	20.0
133.10147	16.0
135.08037	6.8
135.11694	5.4
137.09637	11.3
142.07770	6.2
142.75153	1.8
143.08569	15.7
144.09364	3.0
145.10132	40.6
147.08072	4.7
147.11699	20.3
149.09607	3.9
149.13284	2.0
151.07579	3.5
151.11169	5.0
155.08562	4.2
156.09402	10.7
157.10133	25.4
158.10904	3.7
159.08058	4.1
159.11697	16.2
161.09618	4.8
161.13272	7.2
163.11189	3.6
167.08556	3.5
169.10106	6.8
170.10896	2.8
171.11691	26.4
172.12482	3.5
173.09642	9.5
173.13264	24.6
174.10425	1.7
175.11194	10.0
175.14758	2.9
177.12794	3.1
179.10764	1.9
181.10127	3.6
182.10904	4.3
183.11700	3.8
185.09592	2.4
185.13263	12.8
187.11189	15.0
187.14838	7.9
188.11710	1.7
189.12749	20.9
189.16415	3.0
193.10269	1.7
197.13216	13.5
198.10431	1.6
198.14079	2.6
199.11223	9.8
200.11998	2.3
203.14302	5.1
207.11697	2.6
211.14810	4.6
212.15591	3.6
213.12819	5.4
213.16362	13.8
215.14323	37.3
217.12300	8.0
217.32195	1.5
222.14125	2.3
225.12718	3.4
227.17955	8.2
229.15892	4.0
231.17433	18.6
237.16403	4.3
240.15234	2.5
252.84367	1.4
255.08690	1.7
255.17461	31.5
273.18503	100.0
273.25662	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	273.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.05516	26.8
56.87202	1.8
57.03441	4.6
57.07063	6.5
58.17852	1.8
67.05502	24.9
69.03427	20.2
69.07069	16.8
71.04987	8.2
71.08623	2.9
71.61489	2.3
73.02899	2.7
73.81625	2.0
79.05506	12.8
81.03410	14.8
81.07056	43.6
83.04982	100.0
83.08592	7.9
85.02905	23.7
91.05478	17.0
93.07037	28.5
95.04958	4.7
95.08605	45.9
97.02895	11.9
97.06548	3.1
97.10137	4.1
99.04452	14.0
101.05998	7.1
105.06382	2.4
105.07034	30.2
107.04968	2.3
107.08600	30.9
109.02859	6.5
109.10149	24.8
111.04436	34.1
111.11658	1.8
113.35735	1.9
117.07005	7.4
119.08588	35.3
121.06482	2.5
121.10130	23.6
123.04424	3.7
123.11745	9.1
125.05986	4.1
127.03917	17.4
129.05461	5.7
129.06998	3.6
130.07811	2.0
131.08577	12.3
132.30185	2.0
133.10133	27.2
135.08060	2.1
135.11711	13.9
137.13229	3.5
142.07770	5.0
143.08551	8.3
145.10129	14.5
147.11687	19.1
149.06010	4.2
149.09586	2.2
149.13301	13.4
151.69452	2.0
156.09387	4.4
157.10132	14.3
159.08000	3.4
159.11710	13.0
161.13249	15.4
163.14792	7.5
169.04935	2.9
169.10031	2.4
171.11681	17.2
173.13269	12.5
175.14847	10.8
177.16374	7.1
183.11710	3.5
185.09644	2.7
185.13246	7.5
187.11275	2.0
187.14879	3.3
189.16389	8.0
191.10674	6.8
191.17986	2.9
199.14932	5.7
203.10651	4.2
203.17944	6.9
217.12144	2.3
217.19489	10.0
227.17934	52.2
229.19461	3.6
245.18985	4.2
255.08667	10.5
255.17331	2.7
255.21361	2.8
273.09756	4.4
273.15475	2.2
273.18518	43.0
273.22272	6.3
273.25757	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.37379	0.3
53.03951	0.4
55.01876	0.4
55.05502	1.0
56.96565	0.3
57.07065	0.5
63.47219	0.3
63.52124	0.3
65.03940	0.6
67.01872	2.3
67.05511	1.6
68.99780	1.6
69.03432	1.9
69.07071	1.3
71.04936	0.9
79.05489	1.2
81.03411	0.4
81.07050	2.0
83.01357	0.3
83.04971	0.9
85.02881	0.5
85.06528	0.9
91.05483	8.3
91.06062	0.6
93.07056	1.8
95.04956	2.2
95.08598	2.1
97.02888	1.3
98.97574	0.7
105.07033	2.5
107.04942	1.9
107.08591	2.0
109.06521	0.7
109.10171	1.4
111.00835	0.7
117.07030	1.6
119.04945	17.3
119.08575	2.2
121.02864	0.6
121.06512	0.6
121.10143	1.2
123.04440	4.6
123.08069	0.3
123.11719	0.4
128.06212	0.3
129.07005	0.7
131.08607	1.8
131.09451	0.4
133.10121	1.4
135.08063	0.5
135.11711	0.7
137.13156	0.3
142.07776	0.3
143.08565	1.0
145.10112	2.0
147.04407	42.6
147.11703	1.4
148.04669	0.3
149.13228	0.6
151.03920	0.8
153.01825	100.0
154.02184	0.9
155.08568	0.5
157.10149	1.6
159.11722	2.3
161.13290	0.9
165.21251	0.3
169.10165	0.9
171.02843	1.6
171.11685	1.4
173.09711	0.4
173.13239	0.7
175.11172	0.5
175.84584	0.3
179.03354	0.8
185.09636	0.4
185.13232	0.9
187.14709	0.3
189.05466	0.9
189.12811	0.6
189.16385	0.5
191.17882	0.3
195.11685	0.4
197.13229	1.4
199.11165	0.7
203.18047	0.3
207.11516	0.4
211.14798	0.4
213.16380	1.1
215.17850	0.3
227.14265	0.4
227.17976	1.0
231.06497	0.6
255.06342	0.6
255.17490	1.3
255.20956	0.7
261.70087	0.3
273.07565	73.4
273.18497	5.8
273.22134	1.5
273.25577	2.2
274.07840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Isotoralactone
Peak:m/z	Relative Intensity
53.71624	1.2
55.01861	3.9
55.05497	1.6
56.96556	6.4
61.02942	1.1
65.03942	1.4
67.05500	4.5
68.99779	1.4
69.03419	5.2
69.07066	1.6
69.75770	7.8
71.01330	1.2
71.05006	6.4
73.35671	1.2
77.50208	1.2
79.05499	3.3
81.03422	2.0
81.07047	3.1
83.04982	3.3
85.02908	4.9
85.06543	2.4
87.04458	2.2
89.03915	4.9
90.94549	1.2
91.05487	7.2
92.26505	1.1
93.07027	5.0
95.01333	4.0
95.04983	3.2
95.08598	3.8
98.20727	1.3
98.97590	4.4
99.04475	2.6
100.07715	1.2
103.05434	2.2
103.20896	1.3
103.39130	1.4
105.07024	2.6
107.04992	2.5
107.08578	2.3
107.40920	1.3
108.15326	1.4
109.02905	1.5
109.10171	1.6
109.42340	1.2
111.00801	2.3
111.04422	2.4
111.08133	1.4
115.05461	12.1
116.98648	3.0
117.03376	9.6
117.07035	1.8
119.04987	1.8
119.08566	1.6
121.06500	4.8
121.10172	2.6
123.04422	8.0
125.06008	1.4
128.06242	7.7
128.98572	1.3
129.07007	11.3
134.03636	2.8
135.04401	7.0
137.06032	2.1
139.05449	5.4
139.11186	2.0
141.06987	14.4
143.04932	11.0
145.02824	7.2
147.04405	9.4
149.05983	43.0
151.03996	1.7
151.07542	3.7
152.06178	2.3
153.05612	2.7
153.06989	11.6
155.04919	3.2
157.06493	16.5
157.12230	2.1
158.99536	1.5
159.11690	2.7
160.05190	11.7
161.05995	3.7
163.03903	23.9
163.07545	2.2
165.07025	1.9
167.04962	3.2
167.07106	2.0
168.05786	2.5
169.06512	12.5
171.04436	15.9
171.08038	1.9
173.13272	1.8
174.06705	3.0
175.07561	34.0
177.05460	9.8
181.06477	14.2
183.04572	1.4
184.05202	17.3
185.06003	17.6
186.06764	4.3
187.07545	5.2
188.04678	5.6
189.05515	6.2
189.09111	7.7
192.03613	1.6
195.04408	1.7
196.05211	3.8
197.06026	7.0
198.06755	3.5
199.03947	10.6
199.07515	9.2
200.04671	3.5
201.09142	2.8
202.06155	2.0
203.07024	28.7
205.04985	1.4
209.06007	3.4
212.04692	32.0
213.05473	11.3
213.09108	6.6
214.06277	10.6
215.06918	2.8
216.04134	2.3
217.08659	8.4
223.07626	1.6
227.07033	100.0
228.07480	2.0
229.08574	13.3
231.06519	35.4
237.02759	1.5
241.05067	8.8
241.08543	8.0
245.08101	57.7
250.03452	1.6
255.06604	8.5
273.07623	52.7
273.11560	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	273.0756
Annotation	1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone
Peak:m/z	Relative Intensity
55.01855	2.1
55.05510	4.4
57.03429	1.4
64.52757	0.4
67.05514	2.9
68.99790	3.9
69.03437	4.5
69.07078	2.6
71.04979	1.8
71.61761	0.4
79.05481	1.8
81.03429	2.4
81.07069	5.2
83.04984	20.1
83.08614	1.4
85.02899	4.3
91.05467	2.4
93.07047	3.2
93.58166	0.5
95.04931	0.7
95.08604	4.5
97.02880	2.4
97.06535	0.6
99.04437	2.4
101.06004	1.8
105.07040	4.2
107.04961	0.7
107.08601	3.4
109.02888	1.4
109.06536	0.7
109.10152	3.3
111.04424	7.0
113.62049	0.5
115.05457	0.9
117.07003	1.9
119.08583	3.8
119.15779	0.5
121.02901	4.0
121.06512	0.5
121.10146	2.4
123.04409	1.9
123.11689	1.5
127.03929	2.7
128.06213	1.7
129.05527	1.1
129.07024	3.5
130.07643	0.5
131.08554	4.2
133.02844	0.9
133.10127	2.8
135.08087	0.6
135.11732	2.5
137.02341	0.7
141.06998	1.2
142.07755	0.8
143.08551	2.2
145.06456	0.7
145.10168	3.4
147.04536	0.5
147.11673	2.1
149.05978	0.6
149.13217	1.2
151.03938	0.6
152.06190	1.4
153.06990	6.2
155.08479	0.6
156.09389	0.7
157.06509	7.7
157.10103	2.5
159.08063	0.8
159.11696	4.0
161.13237	1.4
163.14769	0.8
165.07028	0.9
168.46223	0.6
169.06477	1.0
169.10124	0.9
171.08037	2.2
171.11696	2.8
173.13261	2.4
175.07414	0.6
175.14896	1.3
181.06485	15.1
184.05212	1.2
185.05989	4.0
185.13228	2.0
187.07539	1.4
189.16324	0.6
191.10640	2.1
197.13193	0.6
199.07516	8.3
203.10689	1.4
203.17976	0.6
209.05966	5.3
210.06818	0.8
213.05495	7.7
213.16359	0.9
226.06352	0.6
227.07043	15.8
227.17960	10.2
237.05502	3.0
245.08168	1.0
245.19008	1.2
255.06522	100.0
255.21155	0.7
256.06891	1.5
273.07437	5.7
273.18524	11.4
273.21750	0.9
273.22906	0.8
273.25772	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	272.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90577	0.7
56.96567	65.8
69.03440	2.0
71.95271	1.1
73.02890	0.8
74.97605	3.2
84.96037	7.2
85.02911	2.9
92.67313	0.7
97.02896	1.5
98.97579	10.1
100.11226	0.9
102.97017	0.7
106.98096	1.9
108.99621	0.7
110.97540	1.9
112.99180	1.0
116.98618	4.1
123.01183	1.1
124.99117	46.8
126.97044	1.7
127.00694	3.8
128.98596	1.0
131.00191	1.0
134.99673	1.0
139.00679	2.7
141.02231	4.5
143.00168	100.0
144.98091	2.1
145.01729	2.2
148.99112	1.1
151.00606	1.0
152.98601	4.8
157.01720	3.5
158.99670	2.2
159.03305	4.1
161.01224	62.4
162.99113	1.6
163.03900	3.0
166.01834	2.1
167.00143	4.2
169.01730	1.8
170.99652	13.6
175.02829	1.7
179.02260	3.5
181.00319	0.9
182.05257	1.2
184.02859	1.4
185.01221	22.1
187.02798	1.9
189.00711	17.6
191.05779	2.8
194.99751	1.1
203.02287	11.8
207.01816	2.3
213.00700	4.7
221.03496	1.8
231.01755	10.1
235.04897	0.8
249.02823	80.7
254.03365	1.0
267.03882	93.5
271.26248	0.8
272.04431	11.3
272.10580	3.1
285.04938	32.5
290.05481	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.43917	2.4
55.05503	9.5
57.07063	8.3
60.34133	2.6
67.05497	7.9
69.07061	20.8
70.77823	5.7
70.78196	5.2
71.08624	9.0
77.45532	2.8
79.05502	6.7
81.07058	22.0
83.08602	6.3
91.05479	10.6
93.07056	14.1
95.08615	34.5
101.79716	2.4
105.07034	29.6
107.08608	20.5
109.10168	18.2
111.11707	5.8
117.06998	3.0
119.08592	34.8
121.10129	17.5
123.11714	10.8
131.08577	9.4
133.10130	48.8
135.11668	10.4
137.13269	8.8
145.10126	11.8
147.11671	18.9
149.13286	7.8
159.11685	11.3
161.13272	17.9
163.14810	9.2
173.13303	9.9
175.14806	13.2
177.16396	5.1
187.14830	11.0
201.16388	11.7
210.00571	2.5
215.17964	12.0
229.19566	5.8
271.24216	100.0
271.28183	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03941	1.5
53.30672	0.5
55.05299	0.6
55.05515	6.8
56.96553	0.9
57.07058	2.5
65.03941	0.9
67.05167	0.8
67.05507	15.0
68.20383	0.6
69.03416	0.9
69.07072	9.8
69.37875	1.1
69.38280	4.3
71.04978	1.1
71.08635	0.9
79.05510	8.8
81.07058	30.8
83.04975	0.8
83.08627	3.8
91.04955	0.8
91.05479	8.5
93.07048	19.8
95.04961	0.8
95.08607	32.2
97.10168	3.6
98.20611	0.8
98.97569	2.2
105.07033	18.6
107.08599	17.3
109.10159	18.2
111.11666	0.6
116.98647	0.9
117.07002	4.1
119.08578	17.2
121.10148	13.4
123.11710	9.1
128.98621	0.9
129.07008	1.3
130.07866	1.0
131.08568	13.8
133.09114	0.9
133.10129	15.2
135.11696	11.7
137.13231	2.0
141.06987	0.7
143.00156	0.7
143.08583	1.8
144.09322	1.2
145.10118	15.4
147.11690	12.8
149.13268	10.2
151.14815	0.7
153.06987	1.5
157.10086	1.6
158.10909	0.9
159.11699	22.7
159.13022	1.3
161.13252	16.0
163.14816	6.9
165.06976	2.9
169.10088	0.8
170.99574	1.0
171.11667	1.3
173.13269	15.9
175.14821	15.8
177.16354	3.5
183.08144	1.4
185.13284	0.9
187.14819	12.3
189.16370	9.9
197.06003	0.9
201.16373	11.4
203.17928	1.2
211.07587	1.8
215.17938	13.6
229.19551	3.4
243.06503	1.0
243.14937	0.9
243.21198	0.8
271.06229	0.7
271.09659	4.5
271.16925	1.8
271.24210	100.0
272.24469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2267
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.98558	4.3
55.05502	29.8
57.07070	10.1
57.38161	4.1
67.05511	44.2
69.07071	53.1
69.62321	31.5
71.04984	13.5
71.08640	7.4
79.05476	10.7
81.07063	78.3
83.08627	40.3
85.06548	7.2
91.05499	6.6
91.92973	4.8
93.07037	15.0
95.08613	100.0
97.10168	25.9
98.21462	8.6
105.06982	10.5
107.08591	15.8
109.10159	52.4
109.67883	5.2
111.11711	12.1
119.08556	10.2
121.10134	15.8
123.11681	19.6
131.08572	7.5
131.12791	3.9
133.10117	11.0
135.11665	25.4
137.13228	9.0
143.08522	8.8
145.10165	8.5
147.11685	8.2
148.94717	4.2
149.13280	5.8
151.14801	8.6
157.10127	6.6
159.11693	4.4
161.13245	10.1
173.13242	5.7
177.11861	4.7
183.11702	6.8
207.21075	13.9
217.19499	9.2
225.16377	14.2
225.22112	5.8
235.20573	10.3
253.19441	9.7
268.68423	4.5
271.16782	9.1
271.20395	14.2
271.22873	17.6
271.24713	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	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
54.26108	2.0
55.01868	5.0
55.05513	26.3
56.96556	6.1
57.03431	6.2
57.07071	8.6
59.04990	1.8
65.03942	3.0
67.05503	80.3
67.54902	1.9
69.03427	6.1
69.07068	33.1
71.04985	20.8
71.08627	4.1
71.62195	2.2
72.65473	2.4
79.05495	48.3
81.03396	3.0
81.07056	90.2
83.04980	5.6
83.08618	20.0
85.06537	8.9
90.45924	1.9
91.05473	35.5
93.07042	52.7
95.04967	6.5
95.08606	100.0
97.02851	2.3
97.06536	14.6
97.10164	9.2
98.97565	15.2
99.04474	3.3
99.08094	9.3
101.06017	6.5
105.07022	36.5
107.04985	5.4
107.08592	40.0
109.02818	3.7
109.10162	49.0
111.08058	5.2
111.11723	3.5
113.09637	5.0
115.07580	4.0
116.98618	6.9
117.07004	5.2
119.08581	30.6
121.06463	2.4
121.10140	47.3
123.08077	2.7
123.11710	14.0
125.09673	3.4
127.03944	2.5
128.98595	2.4
131.08563	15.6
133.10121	25.8
133.19508	2.0
135.11699	44.3
137.13275	6.7
143.08577	4.2
145.10133	18.4
147.11697	23.5
149.13283	23.6
152.96516	2.7
153.07034	5.0
155.08562	3.2
157.10133	4.3
158.99661	3.5
159.11694	21.8
161.13268	19.4
163.14847	7.3
165.07013	9.4
168.05698	1.8
168.48560	1.9
168.91644	2.1
169.10083	3.5
171.11665	4.6
173.13252	14.1
175.14819	11.5
177.00723	3.0
177.16394	4.1
183.08090	4.8
183.11652	3.0
185.05954	2.6
185.13239	3.6
187.14807	8.3
189.16368	6.8
193.06564	2.1
193.12357	2.0
201.16428	8.0
211.07570	7.7
211.14789	2.5
215.17992	8.7
217.19568	19.2
225.16508	3.5
235.20551	10.1
249.02899	2.6
253.21634	22.4
271.06943	3.0
271.09766	20.2
271.17264	11.0
271.24445	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
55.01863	5.8
55.05517	26.0
57.07069	4.5
67.05508	31.0
68.20968	3.1
69.03427	9.5
69.07071	26.3
70.32841	3.2
71.30287	4.8
79.05495	25.9
81.07059	44.1
83.04942	5.2
83.08628	20.8
89.28114	3.0
91.05478	25.7
93.07044	43.7
95.04976	4.2
95.08610	36.4
96.08126	5.0
97.06525	14.1
97.10161	12.8
105.07021	16.1
107.08606	25.7
108.08118	18.0
109.06498	4.1
109.10166	19.4
111.08055	5.4
111.11743	5.1
117.07031	5.4
119.08578	26.8
121.10133	24.2
123.08059	10.2
123.11720	9.2
131.08566	9.8
133.10123	46.1
135.08058	6.0
135.11679	6.7
137.09619	13.0
143.08578	4.0
145.10071	5.9
147.11671	14.2
149.09665	5.6
149.13213	6.0
151.11188	9.1
157.10120	9.6
159.11699	3.8
161.13260	3.7
165.16438	6.2
168.08122	6.6
169.08841	5.1
171.11633	3.5
173.13148	3.6
175.14830	4.5
183.10431	5.4
189.12772	3.4
189.16377	34.2
192.51939	3.4
196.07639	9.7
197.08325	15.5
198.12785	10.6
199.08694	14.1
199.12320	3.5
199.14891	11.7
205.95543	3.7
207.17407	23.6
211.09901	26.1
213.10262	20.9
214.10956	8.8
215.15401	7.2
217.15883	8.6
225.16188	3.9
226.12283	59.1
227.11740	19.7
228.12540	36.0
235.16937	40.5
239.11806	5.6
242.10216	3.6
243.14975	29.9
253.13422	6.5
254.11676	4.9
255.11337	5.2
256.12140	12.9
271.14471	100.0
271.18985	79.6
271.24243	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	271.2267
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.78057	3.1
53.03945	4.2
55.05513	68.9
57.03419	4.2
57.07075	25.7
61.02401	3.4
67.05503	54.3
69.06720	7.4
69.07069	100.0
69.45389	24.4
71.04986	4.0
71.08623	4.4
79.05488	29.0
81.07060	95.4
83.04984	7.7
83.08620	57.3
85.06532	5.8
85.10204	4.8
91.05481	29.7
93.07044	48.0
95.04955	5.2
95.08033	6.3
95.08607	88.3
97.06544	17.9
97.10165	51.0
99.08069	5.7
105.07030	31.9
107.08595	33.9
109.09539	4.2
109.10174	41.9
111.08071	8.5
111.11731	18.1
113.09621	5.7
119.08602	30.7
121.10152	43.3
123.08048	7.6
123.11713	17.2
124.44775	3.3
125.09586	4.4
125.13206	5.0
129.07057	3.6
131.08531	9.4
133.10126	38.9
134.10420	3.7
135.11713	34.4
137.09599	11.4
137.13203	5.8
139.11169	8.3
143.08522	4.2
145.10077	5.0
147.11682	28.8
149.13275	10.1
151.11182	12.2
151.14822	8.9
153.12669	6.2
157.10144	6.6
157.12265	3.8
159.11658	5.5
161.13255	28.1
165.12733	9.7
175.14804	8.5
179.14296	5.8
189.16415	5.3
191.17975	5.7
193.19547	9.7
217.19543	54.8
223.96562	3.4
235.20580	26.9
253.21675	9.3
271.06259	4.6
271.16913	9.4
271.20438	5.9
271.24438	6.9
286.31281	3.6
292.17868	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.9
57.07077	6.8
67.05496	33.3
69.07057	22.5
69.72047	6.2
70.49380	18.7
70.49773	13.1
71.04991	13.8
71.12205	6.1
79.05492	45.3
81.07057	86.5
83.04977	9.2
83.08609	19.5
85.06545	13.0
90.83181	6.6
91.05469	29.5
93.07050	85.0
95.04962	10.9
95.08625	51.2
97.06529	27.5
99.04442	17.8
105.07037	60.3
107.04975	13.6
107.08595	48.4
109.06503	46.4
109.10177	37.2
111.08089	8.8
119.08589	39.3
121.06506	100.0
121.10143	28.1
123.04433	6.4
123.08099	12.6
123.11701	8.3
127.07526	15.3
131.08533	18.8
133.10110	27.9
135.08034	13.3
135.11691	12.7
139.07541	20.2
142.07748	10.1
143.06999	6.6
143.08562	14.2
145.10054	17.0
147.08102	7.1
147.11699	67.6
149.13242	10.9
157.08604	9.6
157.10120	17.6
159.11644	20.5
161.13277	20.3
165.12761	28.1
171.11691	19.8
173.13240	18.4
175.11186	27.0
175.14766	6.3
187.14732	13.6
189.12743	33.5
193.12204	22.1
199.11165	30.9
207.13792	15.2
207.74954	6.0
211.13321	7.4
217.12259	99.1
217.19553	7.3
229.14314	6.4
235.13292	82.9
239.03429	80.3
253.14316	28.1
253.21690	6.7
271.06015	39.2
271.09460	8.6
271.16867	11.7
271.24298	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.79652	1.9
55.01865	6.0
55.05511	14.5
61.71098	1.8
67.05507	12.6
69.03440	3.4
69.07059	20.0
69.46828	6.4
69.47229	9.7
71.04979	8.1
77.03952	2.3
79.05481	21.0
81.07052	49.2
83.04986	18.1
83.08608	13.0
85.06535	6.5
89.68123	1.9
90.04213	1.9
90.69129	1.7
91.05467	15.9
93.07044	61.2
94.97039	2.0
95.04964	14.5
95.08599	27.8
97.06532	32.2
98.97594	3.9
99.04453	18.0
99.08100	2.0
101.81233	2.3
105.07027	35.8
107.04947	5.1
107.08596	20.2
109.06516	30.5
109.10153	6.0
109.87447	1.9
110.97579	4.5
111.08066	13.6
111.31675	1.9
113.05997	5.6
113.52657	2.0
119.08576	21.7
121.06499	88.6
121.10135	5.6
123.04425	4.2
123.08066	8.0
123.11732	4.7
125.05972	18.7
127.07558	6.5
129.07036	2.9
131.08583	5.1
133.06511	5.4
133.10127	18.2
135.04413	3.4
135.08061	10.1
137.05975	3.5
139.07533	33.1
141.05461	3.6
142.07784	3.5
143.07033	8.9
143.08568	8.5
145.10149	7.7
147.08038	6.3
147.11694	40.4
149.13210	3.1
151.11212	2.6
156.09354	4.2
157.08591	17.0
157.10129	12.8
159.06516	8.2
159.07874	3.1
159.11713	2.1
161.09586	2.1
161.13335	13.2
163.14745	2.6
165.12746	14.7
166.07770	2.5
171.11668	17.2
173.09596	2.4
175.11169	33.1
181.10190	5.4
189.12732	26.7
193.12238	25.0
199.11174	26.8
207.13834	15.3
211.13277	14.1
217.12242	100.0
235.13286	70.7
253.14365	40.1
271.09732	2.1
271.15430	3.7
290.95721	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.72524	0.8
55.05502	1.2
56.05026	1.4
56.96553	0.8
67.05497	2.2
67.48252	0.7
69.03430	1.9
69.07063	3.1
69.94395	2.0
69.94783	1.8
74.24636	0.8
76.85765	0.8
79.05502	4.2
81.05781	1.8
81.07055	4.9
83.04975	1.7
83.08607	1.6
91.05480	4.3
93.05784	1.9
93.07023	3.1
94.06552	1.6
95.08603	5.3
96.08120	3.6
97.10168	0.8
103.05466	0.8
105.07032	1.8
106.06561	3.9
107.08601	2.0
108.08109	16.8
109.10144	2.2
111.08128	0.9
117.07051	1.1
119.08573	2.8
120.08056	1.0
121.10117	2.1
122.09653	3.3
125.32251	0.8
129.07004	2.4
131.08583	1.7
133.10115	2.7
134.05988	2.2
135.11652	1.3
136.07542	2.8
142.07773	2.0
143.08592	1.9
145.10185	1.3
146.09547	1.1
149.13370	1.0
151.11162	1.1
154.06442	1.1
155.07306	0.9
156.08096	1.5
156.09326	1.5
157.10135	3.7
158.09662	1.9
159.08022	1.1
159.11676	1.3
161.13316	1.1
168.08081	3.7
168.09361	1.5
169.08870	4.9
170.09630	1.2
171.09186	1.0
171.11688	1.5
172.07532	3.7
173.13350	1.4
174.09125	2.6
181.10098	1.0
182.05971	1.2
182.09601	2.3
183.08098	1.5
183.10428	7.3
183.11702	1.2
184.07579	1.5
184.11412	0.8
185.10716	1.6
186.09163	1.8
186.11473	2.0
193.08794	0.9
196.07605	7.3
197.08362	19.2
197.10378	1.1
198.09158	2.9
198.12804	9.4
199.08676	13.5
199.12270	3.0
199.14902	1.2
200.09331	1.6
200.13057	1.9
208.11183	1.9
210.09154	3.3
211.09917	23.0
212.09384	1.8
213.10226	21.5
213.12146	1.6
214.11032	6.9
215.15451	6.9
225.11299	0.9
225.13837	2.1
225.16388	1.7
226.12267	51.6
227.08257	1.5
227.11783	22.0
228.12573	33.8
241.09760	2.3
241.13397	1.9
242.10497	3.9
242.14153	1.0
243.14951	34.1
253.13448	7.3
253.19489	1.5
254.11795	2.9
255.11266	10.3
256.12079	15.9
271.14417	100.0
271.20615	5.7
271.24185	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	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01848	3.3
56.96568	6.7
57.03423	4.7
57.07062	3.2
59.05008	16.5
61.02930	3.7
67.05496	4.9
69.03420	8.7
70.06567	3.7
71.11660	7.7
73.06547	10.5
74.66111	3.5
75.04463	10.3
80.89213	3.2
81.03418	4.7
84.08142	5.9
85.02888	10.7
86.06080	3.3
86.09701	3.5
87.04467	32.3
89.06017	6.6
91.05441	6.3
95.04975	3.9
97.02866	9.8
98.06039	3.1
98.07182	3.5
98.97576	18.4
103.03944	15.7
103.05431	4.1
105.07022	9.9
107.04928	11.9
108.04462	20.3
109.02914	4.2
112.88434	3.0
116.98602	4.6
120.08073	10.3
122.06023	6.4
127.03917	5.3
128.32339	2.9
131.03383	12.9
132.08058	9.2
134.09630	7.1
135.04361	3.2
143.01793	3.2
146.09627	4.3
147.04282	4.9
161.04460	33.2
163.03871	7.1
170.90755	3.6
200.98494	3.5
206.11792	11.4
217.03430	100.0
224.12837	25.1
235.04478	20.0
252.12305	15.0
270.10004	7.8
270.13342	29.9
270.27911	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01869	7.5
55.05500	10.1
56.96549	17.0
57.03428	14.7
57.07066	12.3
61.02914	14.6
62.08912	4.8
66.74341	4.6
67.05497	22.1
69.03431	34.8
69.89581	12.5
69.89996	14.3
70.06577	15.5
71.01369	6.7
71.04960	5.9
73.02912	21.4
73.06548	29.3
75.78132	5.1
81.03407	18.7
85.02906	100.0
85.06536	7.3
87.04460	8.0
91.03964	5.3
91.05489	5.7
97.02895	39.8
98.06061	6.2
98.97590	25.6
99.04477	11.1
101.00855	14.8
108.04486	36.8
108.08121	18.0
109.02926	11.0
110.07183	7.2
111.04393	6.2
112.07594	5.0
116.07092	5.7
116.98643	9.4
119.01904	15.3
120.08035	5.7
122.06055	7.0
123.02919	6.6
127.03907	30.2
131.01917	8.7
138.05434	24.5
141.06564	6.3
143.01900	26.3
144.03757	5.9
145.04962	22.3
147.05775	17.1
155.01836	10.3
157.97549	14.8
158.78879	6.2
158.99651	7.7
161.02940	19.1
161.04362	4.8
163.03914	10.1
172.95285	7.2
173.02963	6.8
173.06598	16.7
174.04462	8.5
175.98581	8.8
183.99141	8.8
185.01213	5.1
185.02995	7.3
185.06606	13.2
193.09706	6.8
199.98659	5.0
203.03960	8.1
203.07726	6.0
210.96780	6.0
211.10796	35.5
215.07648	6.3
219.08018	7.0
221.05090	15.1
227.98087	19.1
252.08739	5.0
252.12103	5.6
252.14474	6.4
270.09946	17.2
270.13062	9.3
270.15582	27.5
270.28064	5.3
275.09799	15.2
293.10812	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	269.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	5.1
55.05513	74.2
56.96546	9.3
57.03424	12.9
57.06818	5.4
57.07080	64.3
58.79941	4.3
67.05499	56.6
69.06716	6.6
69.07068	100.0
69.58684	4.9
70.32615	8.7
70.33036	13.8
71.04987	9.5
71.08635	46.0
74.67699	5.3
75.92657	4.9
79.05484	34.4
79.61057	5.1
81.06632	7.2
81.07062	85.3
83.04976	6.2
83.08620	77.0
85.06522	5.8
85.10172	21.3
87.04460	5.0
91.05485	15.0
93.07047	52.7
95.04976	5.9
95.08600	66.5
97.06528	25.7
97.10175	43.6
104.99265	16.6
105.07024	13.1
107.08605	49.6
109.10162	35.4
111.08083	17.5
111.11713	13.3
115.07547	8.2
119.08591	13.5
121.10116	32.2
123.11692	18.9
125.09617	14.7
131.08557	10.9
133.10100	7.3
135.11699	31.6
137.13274	13.1
139.11192	10.1
141.12743	5.8
143.08580	7.0
145.10147	11.2
147.11801	5.1
149.13246	27.2
153.12749	9.5
156.50093	4.8
157.10098	11.4
157.12169	6.2
163.14870	21.4
167.14304	9.5
171.11697	9.3
173.13347	7.8
177.16341	6.9
179.05486	7.9
181.15910	5.9
183.11664	6.6
186.99403	5.4
191.17848	7.0
193.03445	9.7
197.06670	9.3
209.61983	4.4
213.16452	6.2
233.22636	37.4
237.87804	4.6
246.06303	5.9
251.20128	8.6
251.23764	15.7
264.07281	8.0
269.19275	10.2
269.22656	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2111
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01861	5.4
55.05509	37.8
57.03419	5.5
57.07075	11.0
63.28585	2.1
67.05505	41.5
69.03412	3.3
69.07074	36.4
71.04993	40.2
71.08614	2.9
71.61942	3.3
79.05492	21.6
81.03401	3.0
81.07057	55.0
83.04955	5.2
83.08621	28.2
85.06512	7.3
85.10120	3.2
91.05494	14.3
93.07048	32.1
95.04934	4.7
95.08604	44.6
97.06522	34.8
97.10183	16.6
99.08031	2.6
105.07056	10.1
107.08586	21.8
109.06501	4.4
109.10165	16.1
111.08058	6.7
117.07029	4.4
119.08521	8.3
121.10147	21.8
123.11665	8.0
125.09617	4.6
129.07048	2.8
131.08521	6.4
133.10089	6.2
135.08023	3.2
135.11633	7.1
137.09544	3.5
137.13203	2.1
139.11125	2.4
142.07713	3.3
143.08571	5.2
145.10075	9.1
147.11697	3.1
149.13185	8.9
155.08430	2.3
156.09203	2.5
157.10059	5.3
159.11609	9.1
161.13220	3.5
163.14766	7.4
171.11624	5.7
173.13205	6.4
175.14769	2.4
177.12613	3.0
181.15761	3.1
185.13141	3.8
187.14745	3.3
199.14726	6.9
213.08916	2.1
213.12660	3.1
213.16319	5.2
233.15247	3.0
233.19023	4.7
251.20056	65.6
269.14996	5.2
269.20987	100.0
278.45370	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	269.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01870	3.3
55.05512	26.4
57.03436	11.5
57.07062	3.9
65.03938	2.3
67.05504	76.9
69.07070	32.5
69.92781	1.5
71.04996	16.1
71.08603	1.6
79.05495	41.7
81.03452	1.8
81.07059	100.0
83.04989	7.9
83.08625	19.3
85.06535	11.3
91.04947	2.6
91.05483	29.5
93.07047	55.3
95.04976	3.7
95.08611	68.3
97.06542	12.0
97.10159	11.1
99.04441	1.5
99.08109	4.2
105.07040	19.4
107.07877	1.8
107.08594	36.1
109.06500	2.9
109.10158	38.8
110.09264	1.3
110.85646	1.7
111.08109	5.4
111.11722	2.8
117.06985	7.9
119.08588	21.0
121.06521	5.0
121.10146	26.6
123.08099	3.1
123.11702	11.3
125.09705	1.8
129.07016	1.8
131.08578	16.0
133.10133	23.1
135.08073	7.2
135.11694	17.3
137.09634	8.0
137.13264	4.3
139.07558	2.2
141.09105	1.5
143.08566	3.2
145.10114	10.0
147.11723	5.5
149.09639	5.9
149.13251	22.8
151.11131	8.0
153.09088	5.2
155.10600	2.6
157.10158	4.9
159.11700	17.4
161.13263	3.2
163.11208	2.1
165.12830	1.9
167.10690	4.1
171.11667	3.6
173.13196	7.7
177.12766	6.3
181.12230	3.4
183.11870	2.0
185.13239	4.0
187.14879	4.8
191.14275	1.6
191.18001	5.9
195.13829	7.6
199.14833	3.6
209.13411	2.1
209.15303	1.6
213.16376	3.1
215.17987	22.4
227.17946	2.3
233.19054	12.6
251.20079	17.6
269.17398	12.4
269.22623	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	269.2112
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03937	3.3
55.01875	9.3
55.05511	58.2
56.96558	2.1
57.03439	7.8
57.07062	4.7
59.04987	3.2
65.03929	2.5
67.05505	88.6
67.88127	1.0
69.03414	3.9
69.06711	1.6
69.07068	25.4
70.62112	1.0
70.94653	1.7
71.01330	1.0
71.05000	6.7
71.08632	1.7
75.75479	1.0
77.08802	1.0
77.19114	1.0
79.05492	42.7
79.05956	2.3
81.03407	2.0
81.07057	100.0
83.04985	8.3
83.08621	24.3
85.06546	5.4
91.05475	16.1
93.07047	40.7
95.04955	5.6
95.08607	68.3
95.09240	2.1
96.08912	1.4
97.06535	8.7
97.10170	30.5
98.97579	1.2
99.08084	2.8
105.07031	12.6
107.08588	35.7
109.06531	4.4
109.10155	61.3
111.08097	7.4
111.11688	1.4
113.05973	1.3
113.09644	1.5
117.07011	9.5
119.08588	11.6
121.06538	2.0
121.10146	20.0
123.08046	3.3
123.11708	22.0
125.09634	18.9
131.08571	10.8
133.10135	12.5
135.08054	4.8
135.11696	13.6
137.09628	5.9
137.13235	4.6
139.07536	1.3
139.11200	2.3
143.08589	2.6
145.10141	10.3
147.11700	3.9
149.09589	3.0
149.13258	16.2
151.11217	3.6
153.09070	2.7
153.12773	1.8
155.10616	1.4
157.10123	3.5
159.11690	13.4
161.13269	2.6
163.11223	2.9
163.14835	1.5
169.10167	1.7
171.11694	1.8
171.41696	1.1
173.09605	1.5
173.11742	4.9
173.13289	6.6
175.14751	2.5
177.12753	4.5
181.10048	1.2
181.12230	3.4
185.13313	2.1
187.14865	3.1
189.11223	4.1
189.16341	1.6
191.14258	1.9
191.17860	2.4
195.13835	6.5
197.13132	1.2
199.14742	2.4
205.19533	2.5
209.15265	1.8
213.16400	2.2
215.17955	14.2
223.14828	1.1
223.20644	1.5
233.19022	21.6
251.20074	67.3
269.08005	2.4
269.12878	1.2
269.17551	5.4
269.21558	4.2
269.22650	5.7
270.28259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Plucheinol
Peak:m/z	Relative Intensity
55.01877	2.3
55.05513	11.2
56.96567	2.2
57.03424	9.2
67.05507	18.5
69.03432	17.1
69.07075	13.8
70.85109	3.8
70.85422	3.1
70.89719	2.0
71.04989	6.0
75.04482	26.7
79.05488	19.5
81.07063	25.7
83.04977	4.5
83.08618	2.3
85.06541	6.3
91.05491	20.1
93.07050	29.5
95.04969	14.7
95.08117	2.7
95.08609	25.1
97.06509	14.2
98.97533	2.2
105.07028	33.8
107.04975	4.0
107.08606	27.0
108.04694	2.8
109.06500	9.0
109.10161	21.7
111.08087	28.8
112.43066	2.2
113.05982	7.3
117.07004	8.0
119.08584	31.6
121.06480	10.3
121.10139	17.5
123.08067	12.3
125.09615	4.1
129.06993	3.1
131.08548	13.7
133.06514	4.2
133.10127	33.7
135.08057	34.2
135.11667	7.6
137.09624	13.7
142.07765	8.0
143.08560	5.1
145.06461	3.6
145.10124	24.5
147.08023	7.3
147.11694	26.4
149.09608	11.0
149.13246	3.7
151.11122	2.9
157.10132	15.1
158.10963	2.4
159.08099	5.8
159.11685	10.2
161.09599	7.3
161.13206	7.5
163.07468	7.3
163.11176	28.3
163.14818	7.5
171.11655	4.7
173.09587	10.3
173.13266	13.1
175.11174	51.4
177.12755	45.5
187.14801	11.6
189.12712	9.7
191.10703	4.4
191.14336	7.8
193.12248	37.1
197.13284	4.2
203.14197	2.5
205.15958	11.4
215.14322	19.9
215.17558	2.3
233.15378	100.0
251.16440	29.8
269.12933	2.8
269.17468	34.1
269.22516	7.6
269.25223	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1902
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03933	4.4
55.05511	24.5
56.96566	15.0
57.05274	3.2
57.07059	10.7
65.03946	4.3
67.05503	36.6
69.03426	4.4
69.07069	25.3
69.43176	14.9
69.43591	7.2
71.04988	4.6
71.74166	3.0
79.05479	20.3
81.07054	42.3
83.04972	6.0
83.08611	6.9
85.06551	3.2
90.32230	2.8
91.05482	35.3
93.07047	39.1
95.04985	20.7
95.08607	50.4
97.06521	11.8
97.10175	3.4
98.97582	3.1
104.99256	6.1
105.07035	36.2
107.08603	30.9
109.06519	13.9
109.10162	23.9
111.08072	4.9
117.07025	12.5
119.08588	57.2
121.06518	3.7
121.10130	29.1
121.52600	2.5
123.08070	7.5
123.11696	6.8
125.09692	3.5
128.06244	5.6
129.06975	11.9
130.07761	4.4
131.08572	33.8
133.10126	30.9
135.08025	3.6
135.11711	10.0
142.07854	15.0
143.08554	31.5
144.09332	5.6
145.10126	42.3
147.08063	4.8
147.11696	15.5
149.09610	4.8
149.13287	7.0
155.08563	8.1
156.09340	17.3
157.10123	37.0
158.10944	13.5
159.11682	26.9
160.12495	2.9
161.09650	5.6
161.13219	5.0
163.11143	3.7
164.64920	3.1
165.07011	4.7
166.07727	2.9
167.08495	5.9
169.10165	12.6
170.10884	14.2
171.11687	39.7
173.09697	3.5
173.13249	42.6
173.14639	3.4
175.11238	5.9
179.08531	3.4
180.09300	4.2
181.10204	6.4
183.11676	10.3
184.12425	4.2
185.13272	38.8
186.14082	9.1
187.11176	4.4
187.14845	19.8
193.10303	3.2
194.10921	5.1
195.11829	7.0
195.13644	6.8
197.13391	4.5
199.11121	4.8
199.14798	13.8
207.11826	4.1
208.12456	3.2
209.13248	7.1
211.14810	19.6
213.12753	13.6
215.17751	2.9
221.13313	6.6
222.13966	3.7
225.16318	3.4
227.14336	7.6
241.19537	10.9
251.17943	5.6
251.20155	8.6
269.12860	10.8
269.19016	100.0
269.22363	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	269.1748
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
52.27141	4.0
53.03932	7.8
55.01874	9.7
55.05508	35.0
55.54736	3.6
56.96560	15.0
57.03438	13.3
57.07070	12.9
58.31796	4.1
58.97810	3.8
65.03951	4.4
66.98714	4.7
67.05510	67.0
69.03411	5.3
69.07067	58.1
71.04985	12.4
71.08640	7.2
71.61800	6.5
72.13420	3.9
79.05499	44.7
81.07063	100.0
83.04987	8.4
83.08626	30.4
85.06537	8.3
85.10157	4.3
87.67539	4.1
91.05495	29.7
93.07048	73.9
95.04957	6.3
95.08614	78.7
96.98423	5.5
97.02876	4.1
97.06519	12.1
97.10184	14.9
100.92353	3.8
105.07022	20.8
107.04932	5.0
107.08597	47.0
109.06483	5.7
109.09546	4.3
109.10149	24.3
111.08044	7.8
117.07027	5.4
119.08580	16.0
121.06531	9.3
121.10149	50.4
123.08063	5.2
123.11731	17.3
125.05983	5.8
131.08562	17.7
131.36458	4.6
133.10123	22.8
135.08087	9.5
135.11690	21.6
137.09651	3.8
137.13287	12.0
139.07578	6.0
143.08563	9.9
145.10144	15.1
147.11691	8.3
149.09618	10.7
149.13243	20.5
153.09114	5.6
153.94072	3.8
157.10158	7.7
159.11717	16.2
161.13354	4.8
163.11211	6.1
163.14789	11.6
169.09973	4.1
171.11642	6.5
173.13245	7.1
177.12692	5.9
177.16382	22.8
181.10220	4.4
185.13342	8.4
187.14812	16.2
187.88345	4.3
195.13640	5.8
199.14835	11.6
205.15903	24.3
211.38924	4.0
213.16441	9.9
215.18159	4.4
222.12003	4.5
233.18965	5.3
251.20105	13.8
253.09637	4.8
269.12946	9.2
269.17358	92.9
269.22485	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01865	3.1
55.05514	10.9
55.97256	1.7
57.03433	7.3
57.07097	2.0
58.11794	1.4
64.61352	1.6
65.51181	1.6
67.05507	23.4
69.03448	3.2
69.07072	13.0
69.44205	3.8
69.44626	10.1
70.53843	1.6
71.05012	9.3
75.04479	2.7
78.04683	1.5
79.05492	24.0
81.07061	44.7
83.04964	5.9
83.08619	5.8
85.02950	2.3
85.06544	27.3
86.38429	1.6
91.05479	16.1
93.07056	18.8
95.04963	14.2
95.08614	17.6
97.02891	1.8
97.06555	8.0
98.97580	2.7
99.04440	3.5
101.06031	8.6
103.05450	7.2
105.07027	22.2
107.04960	60.4
107.08607	15.3
109.06519	22.6
109.10163	5.6
111.08087	4.5
113.06030	2.2
113.09684	2.4
115.05483	3.7
116.98602	2.0
117.07034	5.8
119.04946	3.9
119.08584	8.9
120.05724	4.6
121.04030	2.5
121.06506	3.6
121.10152	11.4
123.04429	3.2
123.08117	3.0
123.11746	2.1
125.02341	1.5
125.05984	2.0
125.09653	1.8
127.07567	15.6
128.06316	1.6
130.07791	2.3
131.04933	2.8
131.08615	8.7
133.06511	2.9
133.10132	6.7
135.08075	19.4
135.11705	7.3
137.05968	12.0
137.09622	2.4
145.06528	1.9
145.10138	13.0
147.04420	5.9
147.08057	2.2
147.11699	5.5
148.05215	3.6
149.05992	2.1
149.09624	2.4
149.13255	2.4
151.07561	2.1
154.06221	3.6
159.11699	8.8
161.09633	2.1
161.13219	2.4
163.07541	34.7
163.11203	4.4
165.05464	4.4
165.09081	3.0
167.07060	24.8
173.09622	4.5
173.13248	2.9
175.11177	2.9
177.12721	2.0
178.87234	1.7
180.07811	46.2
180.09372	2.3
187.11185	8.2
187.14841	3.1
191.10684	6.0
192.07831	1.8
193.08626	3.9
195.10175	100.0
205.12244	7.4
209.11699	7.1
215.10641	4.6
215.17883	3.5
223.07690	2.8
223.13222	2.6
233.11752	7.6
233.15349	3.0
233.19061	1.9
241.08588	1.8
251.12747	11.8
251.16405	7.4
251.20114	2.0
269.08011	4.1
269.13486	3.3
291.12161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75120	1.6
53.01777	1.6
56.45505	1.7
57.15971	1.9
70.61975	5.2
136.93988	7.6
155.57251	1.7
160.63177	1.9
162.95584	2.3
208.11765	2.0
222.97774	1.9
231.51233	1.8
249.12189	1.9
250.67291	1.8
265.29111	1.8
268.98242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03939	2.4
55.01863	3.8
55.05518	7.7
56.96565	3.6
57.03424	4.0
57.07066	3.8
65.03926	3.9
67.05164	2.2
67.05502	32.7
69.03423	7.3
69.07068	10.1
69.94215	6.0
71.04992	15.3
75.04455	4.8
79.05484	26.2
81.03396	2.3
81.07054	99.4
83.04971	5.6
83.08604	2.2
85.02896	2.8
85.06544	100.0
91.04954	2.2
91.05482	28.4
93.07037	27.7
95.04348	2.2
95.04967	37.7
95.08600	11.6
97.06528	17.8
98.97579	6.2
99.04462	9.6
101.06026	3.4
105.07030	23.5
107.04931	5.8
107.08589	16.1
109.02878	1.7
109.06515	74.6
109.10132	5.0
111.04417	3.0
111.08080	12.1
112.11269	1.4
113.06007	8.1
116.98625	2.4
117.07016	8.6
119.04868	1.7
119.08572	12.6
121.06496	7.1
121.10150	12.0
123.04438	7.9
123.08066	6.4
125.06003	3.4
125.09615	2.9
127.07555	71.9
129.07010	3.2
130.07750	2.7
131.00143	1.4
131.08553	11.2
133.06459	4.3
133.10097	9.6
135.04489	1.7
135.08026	6.5
135.11688	6.0
137.05972	31.7
137.09596	5.0
141.05450	6.5
141.06999	2.0
143.07034	2.5
143.08540	4.9
144.09311	2.0
145.06461	3.8
145.10110	27.3
147.08040	3.3
147.11690	6.8
149.05956	2.4
149.09595	6.1
149.13202	2.3
151.07565	6.4
153.05447	7.3
155.07008	5.8
155.08542	2.5
157.10172	2.6
159.06694	1.7
159.08069	4.0
159.11693	12.2
161.09610	2.9
161.13271	2.2
163.07526	2.4
163.11162	11.7
165.05466	1.5
165.08980	1.9
169.08755	2.4
169.09999	7.0
171.11633	2.4
173.08099	4.3
173.09613	10.5
173.13287	2.4
175.11147	8.1
177.12741	20.0
187.11179	33.9
189.12804	3.2
191.10649	24.1
191.14371	1.6
193.12244	5.6
197.09613	2.1
205.12233	26.4
205.15898	2.0
209.09732	2.5
209.11728	26.8
215.10677	19.8
215.14195	3.7
223.13240	10.3
233.11740	23.0
233.15343	12.3
244.25075	1.4
251.12787	43.7
251.16432	5.2
269.04593	1.4
269.07858	3.1
269.13882	23.8
269.17294	3.1
294.59494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2682
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03951	6.1
53.62848	2.3
53.95824	2.0
55.05514	42.1
56.96561	6.1
57.03443	17.5
57.06857	2.7
57.07082	26.6
67.05510	52.4
69.07074	51.0
71.04979	7.6
71.08645	15.4
79.05498	25.4
81.03420	77.5
81.07061	94.9
83.04975	10.4
83.08620	60.8
85.06537	3.8
85.10173	7.6
91.05476	23.4
93.07066	16.0
95.04980	14.2
95.08611	100.0
97.06530	5.1
97.10174	41.3
98.20682	5.2
98.98477	7.5
105.07049	19.0
107.04956	5.9
107.08586	9.2
109.06511	3.0
109.10162	69.2
111.08070	5.8
111.11714	20.0
111.61234	2.3
113.09636	3.1
117.07018	4.3
119.08594	18.6
121.06440	4.0
121.10161	11.4
123.08090	3.2
123.11716	38.2
129.07039	5.7
130.71503	2.7
131.08568	7.9
133.10120	6.4
135.11659	4.0
137.09697	4.5
137.13237	13.2
139.14713	3.2
145.10123	2.7
147.08180	3.5
147.11688	10.6
149.09584	3.3
151.14835	3.8
157.10146	10.0
161.13232	3.2
175.11253	6.3
179.17990	4.4
183.11662	2.8
193.12231	17.2
211.13202	2.9
211.14944	3.4
249.18523	5.1
249.22124	2.9
249.25832	7.8
267.09045	7.4
267.15863	37.0
267.21082	4.6
267.23602	3.3
267.26785	7.5
285.10086	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	267.1956
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03951	5.7
55.01877	5.7
55.05511	26.7
55.31736	3.3
56.96563	13.7
57.03434	14.3
57.07067	9.1
58.83453	2.6
64.17908	2.5
65.03958	3.6
67.05506	62.5
69.03430	3.4
69.07063	29.4
71.04990	11.1
71.08631	4.5
71.61607	5.6
79.05051	4.1
79.05496	64.9
81.03422	46.3
81.07063	65.6
83.04987	18.6
83.08630	25.1
85.06557	8.0
87.70261	2.6
91.04952	5.1
91.05480	65.1
93.03450	5.0
93.07044	100.0
95.04980	19.1
95.08607	54.6
97.06533	23.6
97.10164	9.5
98.97590	3.8
98.98444	3.8
99.04449	2.9
99.08093	7.3
105.07039	38.5
107.04961	57.6
107.08598	41.5
109.06519	7.8
109.10159	24.7
111.04467	5.1
111.08090	11.4
117.07007	4.3
119.08588	32.1
121.06524	3.6
121.10146	59.8
121.11023	4.6
123.08057	13.1
123.11712	6.2
125.06007	5.6
125.09627	5.2
126.02409	4.6
129.06978	6.6
131.08585	21.4
133.10156	32.2
134.53200	2.6
135.08093	5.2
135.11684	27.2
135.46867	2.6
137.09645	14.5
143.08568	5.1
145.10129	11.4
147.11679	37.3
149.02364	4.7
149.09641	8.6
149.13309	3.9
150.02391	14.8
151.11179	8.4
153.09120	5.7
155.01588	16.0
157.10149	7.8
159.11705	3.1
160.00813	13.9
160.50873	4.6
161.13301	3.5
163.11183	3.1
164.02132	18.4
165.12749	6.4
167.10657	4.3
169.01347	25.6
169.51529	3.2
171.11702	5.5
175.11185	4.7
182.02138	8.1
182.52364	3.4
183.11710	3.5
185.13199	5.4
189.16347	3.7
191.02588	4.6
193.12263	7.4
203.17960	5.2
209.03703	7.8
211.14848	4.8
213.03989	10.0
213.16429	17.3
221.18941	4.6
222.04457	16.2
222.54637	3.1
224.54843	5.4
231.17473	12.3
235.05299	8.0
239.20142	3.6
244.05801	14.9
244.09450	3.5
246.56056	3.7
249.18501	79.3
255.56609	7.2
267.09418	4.5
267.12070	15.4
267.15506	20.5
267.19644	13.8
267.21454	3.9
285.10159	5.6
286.95407	3.2
END